smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(C)(CO)CNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	119051812	HRJUWDNSVUZRBH-UHFFFAOYSA-N	374.529	2.036	10	10	FECE	
COc1ccc(CNCc2cccc(N3CCCS3(=O)=O)c2)c(O)c1	185098082	JNGAUEUVFSNCQA-UHFFFAOYSA-N	362.451	2.231	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N1CCC[C@H](C2OCCO2)C1	255850590	XLFNNAZGTNZXGJ-MTIYJEKLSA-N	372.465	2.148	10	10	FECE	
CCOCc1cc(CN[C@H]2CCC[C@@H]2CNS(C)(=O)=O)ccc1OC	800310194	YAKWTDWCXJKKLU-WBVHZDCISA-N	370.515	2.039	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1	807481440	KXBQAWOJDSZTAF-AWEZNQCLSA-N	367.515	2.250	10	10	FECE	
Nc1ccc(Cc2nc(C(=O)N3CCO[C@@H](C(=O)C4CC4)C3)cs2)cc1	818000004	BQZNMSJURJNAJZ-MRXNPFEDSA-N	371.462	2.136	10	10	FECE	
CCOC1(C)CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	837714749	SAASITAZPUUKJI-UHFFFAOYSA-N	365.449	2.107	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H](O)c3ccccc3OC)C2)cc1	912292014	GLVNIGMZQMRTKZ-KUHUBIRLSA-N	356.422	2.132	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@H](CO)c1cccnc1	840485014	RGMBJQLUAGTRSV-QFBILLFUSA-N	370.497	2.462	10	10	FECE	
COc1cc(Br)cc([C@H](C)NCc2nnnn2C2CC2)c1O	848532560	BWRCCYOINQJNLN-QMMMGPOBSA-N	368.235	2.336	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)OC[C@H]3CCCCO3)C2)cc1	855229212	IRZOOPVWXYMOIV-JTDSTZFVSA-N	362.470	2.364	10	10	FECE	
CCN(CC)c1ccc(CN2C(=O)N[C@H]([C@@H](O)c3ccncc3)C2=O)cc1	924486215	DSHDXWVTOFJSRH-MSOLQXFVSA-N	368.437	2.082	10	10	FECE	
CC(C)(C)N1CC[C@@H]1CNC(=O)NCc1ccc(N2CCOCC2)cc1	852005305	RQXCAKWMWVFTGG-GOSISDBHSA-N	360.502	2.195	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)/C=C/c1ccc(S(C)(=O)=O)o1	859421202	PSLHWLKENKZPMG-VQHVLOKHSA-N	362.451	2.387	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CCc4nc[nH]c4C3)C2)cc1	854981744	ZVYALAYDKPACMX-LSDHHAIUSA-N	354.454	2.166	10	10	FECE	
CN1CCCc2cc(CN3C(=O)N[C@@H](C[C@H]4CCCOC4)C3=O)ccc21	863503222	ZEWIOFFBRCGLJS-WBVHZDCISA-N	357.454	2.306	10	10	FECE	
O=C(Cc1cnn2c1CCCC2)NCc1ccc(N2CCC(O)CC2)cc1	869295487	WYLZDOYNLDVNBX-UHFFFAOYSA-N	368.481	2.039	10	10	FECE	
CN1CCCc2cc(CNC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)ccc21	865053628	KQGDKLRVYUZODN-CABCVRRESA-N	358.360	2.032	10	10	FECE	
COc1cccc([C@H](C)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1O	866496255	XQNAIHAQLWJWFC-AEGPPILISA-N	366.458	2.422	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3(C(F)F)CCC3)cc2)C1	864953386	CWFVBYLOJUFOAQ-AWEZNQCLSA-N	365.424	2.440	10	10	FECE	
CCOC(=O)[C@H](Cc1ccccn1)NCc1ccc(N2CCOCC2)cc1	763477198	DYUAOGCCPMCVKP-FQEVSTJZSA-N	369.465	2.182	10	10	FECE	
Cn1ncc(CNC(=O)c2cccc(O)c2O)c1NC(=O)OC(C)(C)C	2118181301	DKJZPKKTCUTZHW-UHFFFAOYSA-N	362.386	2.108	10	10	FECE	
O=C(N[C@H]1CN(c2ccc(Br)cc2)C1=O)c1cc(O)cs1	1298860735	ZMZCMUQMVYTUQS-NSHDSACASA-N	367.224	2.361	10	10	FECE	
O=C(NCc1ccc(O)cc1O)[C@H]1CC(=O)N(c2ccccc2Cl)C1	1469159491	KMNZCCOZCIMZLP-LBPRGKRZSA-N	360.797	2.421	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCC[C@@]1(C)NC(=O)NC1=O	1539467452	BGDVLVUTSNQKJA-HXUWFJFHSA-N	372.469	2.014	10	10	FECE	
CCc1ccc(N2C[C@H](C(=O)NCc3c(O)cccc3O)CC2=O)cc1	1558533885	MKDUIOQUTFQMLY-CQSZACIVSA-N	354.406	2.330	10	10	FECE	
Cc1ccccc1CN1CCO[C@@H](CNC(=O)c2cccc(O)c2O)C1	1635938953	YHBSAOMVZHSYQE-INIZCTEOSA-N	356.422	2.037	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2CCCC[C@@H]2O)N(C)C)cc1	1565453381	YINNOMDPSHBXGM-NEWSRXKRSA-N	362.518	2.206	10	10	FECE	
CS(=O)(=O)C[C@@H](C(=O)NCc1cccc(Cl)c1O)c1ccccc1	1640405376	SFRDHVIKPAGDQO-CQSZACIVSA-N	367.854	2.490	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1ccccc1S(=O)(=O)C(F)F	1651225276	CQQDHMUAMOUMDL-UHFFFAOYSA-N	357.334	2.024	10	10	FECE	
OC[C@H]1CO[C@@H](CNCc2cc(Cl)cc(Br)c2O)C1	1966088390	PRSLZOXGLQEVTD-GZMMTYOYSA-N	350.640	2.295	10	10	FECE	
C[C@H]1C[C@@H](CNCc2ccc(Br)cc2O)CCS1(=O)=O	1966091387	VBUSRQKYWKJKOR-QWRGUYRKSA-N	362.289	2.458	10	10	FECE	
C[C@H]1CCCN1C1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1	154900444	FLMNDJBNBSVTSU-LBPRGKRZSA-N	360.414	2.379	10	10	FECE	
C[C@@]1(NS(=O)(=O)Cc2ccc(N)cc2)CCN(Cc2ccccc2)C1	406040421	SWFPFOICOOARHK-LJQANCHMSA-N	359.495	2.353	10	10	FECE	
CS(=O)(=O)c1cnn(Cc2c(O)cccc2Br)c1Cl	2070238906	OQIKRZLJEAQIQP-UHFFFAOYSA-N	365.636	2.456	10	10	FECE	
CC(C)(C)OC(=O)N[C@](C)(C(=O)N1CCC[C@@H]1CN=[N+]=[N-])C(C)(C)O	2060639279	GHQBITACZVQVEO-BDJLRTHQSA-N	355.439	2.342	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1)C1COC1	2060637939	QDXYAIRXFREAMB-CHWSQXEVSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C1	2073946646	TXILTPUURZMXBD-JHJVBQTASA-N	353.423	2.360	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1CC(=O)N(C)c1ccc(N)cc1	2106682813	XTKCJTVADIJXFP-UKRRQHHQSA-N	362.474	2.219	10	10	FECE	
C[C@@H](NC[C@H]1CN(C)CCN1C(=O)OC(C)(C)C)c1c(O)cccc1O	2098264233	WDRWTNOVSOZFJS-KGLIPLIRSA-N	365.474	2.300	10	10	FECE	
CCCN(c1ccc(CO)cc1Br)[C@@H]1CCS(=O)(=O)C1	2201892758	CGZMXBJTHHKLTB-GFCCVEGCSA-N	362.289	2.345	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1CN(CC(=O)Nc1ccc(N)cc1)C2	2234879133	SDDZPRSHOYKDQN-JKIFEVAISA-N	374.485	2.442	10	10	FECE	
COc1cc(OC)c(OC)cc1C=C1C(=O)NC(=O)N(C2CCCC2)C1=O	2297707533	LWAANWQXYIOOER-UHFFFAOYSA-N	374.393	2.117	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)[C@@H]1C[C@@H]2C[C@@H]2C1	2309507475	HBQLLVWKBFWCQS-SOBZTRSMSA-N	350.459	2.191	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3C[C@@H](C)N(C4CC4)C3)CC2)cc1	175559941	SVOUUMPFSRQJFV-HZPDHXFCSA-N	358.486	2.152	10	10	FECE	
COc1ccc(N(C)CC(=O)NCc2ccc(C(=O)N(C)C)cc2)cc1F	177068641	GIMNALXTJSDRIG-UHFFFAOYSA-N	373.428	2.289	10	10	FECE	
CCCN[C@H]1C(=O)Nc2cc(N3CCOCC3)c(Br)cc21	118711148	CFGYEYMRSMTMNG-CQSZACIVSA-N	354.248	2.279	10	10	FECE	
COc1ccc(N2CCN(C(=O)/C=C/c3ccc(C(N)=O)cc3)CC2)cc1	175923613	OXJCLIKHJIGRLZ-NYYWCZLTSA-N	365.433	2.156	10	10	FECE	
CC(=O)N1CCC(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CC1	92855996	JUIIZHOHTQWHDN-UHFFFAOYSA-N	370.541	2.319	10	10	FECE	
COc1ccc(N2CCN(CCN[C@@H]3C[C@@H](C)N(C)C[C@H]3C)CC2)cc1	268789594	BLDSBADOHBEUDO-DBXWQHBBSA-N	360.546	2.136	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1	366735076	OJDLQCJNXPOKFF-ZZQZRYSSSA-N	358.438	2.408	10	10	FECE	
Cc1nc(C(F)(F)F)ccc1NC(=O)C(=O)NCc1ccccc1O	802555028	XAFWBGWHHJMBQL-UHFFFAOYSA-N	353.300	2.369	10	10	FECE	
CN1CCc2cc([C@H](N)[C@@]3(O)C[C@H]4C[C@H]3N(C(=O)OC(C)(C)C)C4)ccc21	2163143669	IXFPRWIMSMEBKZ-BQSVUJTJSA-N	373.497	2.439	10	10	FECE	
CN1CC2(CN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2)OC1=O	817413753	FPPLNDNMPZHVSC-UHFFFAOYSA-N	360.414	2.222	10	10	FECE	
COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	819587759	POCJPRRHVQSCPG-HRCADAONSA-N	360.454	2.227	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc2oc(O)nc12	816890637	RGOHSJGKNDFWTD-UHFFFAOYSA-N	371.368	2.439	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N(C3CC3)[C@@H]3CCNC3)C2)cc1	818655330	LIYZGPIHVKAJOX-CRAIPNDOSA-N	358.486	2.057	10	10	FECE	
O=C(c1ccccc1SCc1cscn1)N1CCS(=O)(=O)CC1	728716646	IBDIEXXOEKYMKD-UHFFFAOYSA-N	368.505	2.306	10	10	FECE	
COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1cc(Cl)c(C)cc1O	824938368	IEHZCHYDFCPRAS-RRCSTGOVSA-N	367.829	2.279	10	10	FECE	
C[C@H]1C[C@@H](S(=O)(=O)NCc2cc(Br)ccc2O)CCO1	831521477	ALDVBVDJWNMWNE-CABZTGNLSA-N	364.261	2.142	10	10	FECE	
COc1cccc(CNC(=O)C(=O)Nc2cccc([C@H](C)OC)c2)c1O	737285584	JDQNORSZQXBXQY-LBPRGKRZSA-N	358.394	2.363	10	10	FECE	
COc1ccc(N2CCN(CN3C(=O)[C@H](C4CC4)[C@H]3C3CC3)CC2)cc1	839947346	DOEXHHNBIBDCAN-WOJBJXKFSA-N	355.482	2.422	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H](C)[C@H](C(=O)O)O3)cc2)CC1	911350642	JTGOIQMQHQUDQY-ZTFGCOKTSA-N	360.454	2.417	10	10	FECE	
CC12CC(CN1C(=O)NCc1cc(F)c(N3CCOCC3)c(F)c1)C2	854141167	ZFGHYYLOYGIFPG-UHFFFAOYSA-N	351.397	2.495	10	10	FECE	
CN1CCCc2cc(CN3C(=O)N[C@@H](CC4CCOCC4)C3=O)ccc21	924544373	WKUVUAKKMBLDPP-KRWDZBQOSA-N	357.454	2.306	10	10	FECE	
CCn1nc(C)c([C@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n1	924726975	BSMXUGKIRIRZPL-WMLDXEAASA-N	370.501	2.159	10	10	FECE	
Cc1ccc(O)c(CNC(=O)NCC2CCN(C3CCOCC3)CC2)c1	858597334	ZCLZBTBWVOUFLU-UHFFFAOYSA-N	361.486	2.391	10	10	FECE	
C[C@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@H](C)C1O	853435704	NENQCRNWXOBGMP-GJZGRUSLSA-N	363.527	2.398	10	10	FECE	
COc1ccc(N2CCN(C(=O)NC[C@H]3CCOC3(C)C)CC2)cc1F	852686891	NOYVRWZVAQHOND-CQSZACIVSA-N	365.449	2.481	10	10	FECE	
COC(=O)CC[C@@H]1CC[C@H](C(=O)NCc2ccc(N(C)C)c(F)c2)O1	874250278	MHMNPHATPPKMGQ-XJKSGUPXSA-N	352.406	2.009	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N2CCOc3c2ccc(F)c3F)c1	1129944993	MRFQGOAJGUGSLF-GORDUTHDSA-N	359.332	2.158	10	10	FECE	
Cc1cc(CCNC(=O)N[C@H](C)c2nnnn2C)c(C)n1-c1ccccc1	1123641672	NTWWPVXIHAQUSO-CQSZACIVSA-N	367.457	2.221	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCS(=O)(=O)C(C)(C)C2)c1	781912235	ONHCGGVSRKMXFR-UHFFFAOYSA-N	362.289	2.472	10	10	FECE	
CC(=O)c1cncc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1	898982652	FGBZWQCMTGLDBF-UHFFFAOYSA-N	353.422	2.175	10	10	FECE	
Oc1c(F)cc(Br)cc1CN1CCC(N2CC[C@@H](O)C2)CC1	895345493	UXQGFFTWFQIYMX-CQSZACIVSA-N	373.266	2.325	10	10	FECE	
CCN(CC)CC[C@H](CO)NC(=O)c1cc2cc(O)c(O)cc2s1	897635107	XOYQJIZYPOYCQM-GFCCVEGCSA-N	352.456	2.135	10	10	FECE	
Nc1ccc(CS(=O)(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1	705901489	RXJLZYISPSYSMX-RTBURBONSA-N	371.506	2.162	10	10	FECE	
NS(=O)(=O)c1ccc(NCc2ccc(Br)cc2O)cc1	691490658	ZDKDQDAQOVYCKE-UHFFFAOYSA-N	357.229	2.414	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1	1304050767	QSHFQFDEJPZCNB-UHFFFAOYSA-N	354.322	2.122	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCC12CCOCC2	1329420549	UUHLLUFLMSPZEC-QGZVFWFLSA-N	374.481	2.454	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)NCc1ccccc1O	2124102726	FMMMAUHJMABIDI-LSDHHAIUSA-N	364.442	2.280	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@]1(C)CC1(F)F	1330333778	PDIKINXYAPCHDJ-QGZVFWFLSA-N	353.413	2.263	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2C[C@@H]1CN(C(=O)CCOc1ccc(N)cc1)C2	2117045566	ZELMPHLWNXTMHP-GASCZTMLSA-N	361.442	2.258	10	10	FECE	
COc1c(I)ncnc1OCCc1ccc(N)cc1	2128227533	LZCXZRNBTSPZSF-UHFFFAOYSA-N	371.178	2.294	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COCC[C@@]1(Sc1nccs1)C(=O)O	1904757832	RZUOMJYSIDKKGZ-XPTSAGLGSA-N	360.457	2.372	10	10	FECE	
Cc1cc(C)n(CC(=O)Nc2c(-c3ccccn3)nc3ccccn23)c(=O)n1	1468657429	CDBNALICDNOVBH-UHFFFAOYSA-N	374.404	2.209	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnc(N)c([N+](=O)[O-])c1	1463809266	QCCWINJLQVAZDG-UHFFFAOYSA-N	355.398	2.444	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCCn3cccc3)cc2)C1	1544930352	YAYOEQKPKITOOQ-GOSISDBHSA-N	368.481	2.286	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCN(c3nnc(C)s3)CC2)c1O	1644578306	ZDHLXEMHAVTSBB-UHFFFAOYSA-N	350.419	2.216	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(O)c(O)c2)N(C)C)cc1	1647138508	BJAJQOBKZMYNRC-KRWDZBQOSA-N	357.454	2.125	10	10	FECE	
COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)/C=C/c1ccc(O)c(O)c1	1645509059	VYUVEURQIMQJGN-BOSPYUDASA-N	359.353	2.151	10	10	FECE	
CCn1cccc(Cn2c(C)nnc2N(C)Cc2ccccc2O)c1=O	1765338362	OVTIOMGNHUXAQZ-UHFFFAOYSA-N	353.426	2.158	10	10	FECE	
Cc1ccc(-n2c(C)cc(/C=C/C(=O)N[C@H]3CCC(=O)NC3=O)c2C)cc1	153267430	OYYZMUKSKAMIPU-OPUMOTSWSA-N	365.433	2.337	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3CCN(C(=O)CC(C)C)C3)CC2)cc1	1858362502	FJSWMFUXXMSPTE-KRWDZBQOSA-N	373.497	2.238	10	10	FECE	
Cc1cc(=O)c(OCC(=O)N2CCC(C)CC2)cn1Cc1ccc(N)cc1	1857915031	CISSBPWVNQSEEV-UHFFFAOYSA-N	369.465	2.425	10	10	FECE	
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC[C@@H](CN=[N+]=[N-])C2)CC(O)C1	1879106700	JYRWJJIGASGKFS-POZPTJLLSA-N	367.450	2.344	10	10	FECE	
COc1cccc(O)c1CNC[C@H]1COCCN(C(=O)OC(C)(C)C)C1	1964582195	CBQBFEMAHDHGQK-CQSZACIVSA-N	366.458	2.374	10	10	FECE	
N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCC(OCc2ccccc2)CC1	384020823	RUVRWNDEXUAENW-SFHVURJKSA-N	370.449	2.175	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2060617639	PFCVIMMAGJYIPJ-RWMBFGLXSA-N	353.423	2.027	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NC(=O)Nc2ccc(N)cc2)C1	2116274564	PROOIUPDIRLHLT-IUODEOHRSA-N	364.446	2.008	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H](NC(=O)Cc2ccc(N)cc2)C1	2219131731	ODVFLNYWZHBOJK-ZFWWWQNUSA-N	351.422	2.275	10	10	FECE	
CN(CCn1cc(C(=O)NCc2ccccc2O)cn1)C(=O)OC(C)(C)C	2233481391	LPNJARHFAWNLNT-UHFFFAOYSA-N	374.441	2.386	10	10	FECE	
CN1CCc2cc([C@H](N)[C@]3(O)[C@H]4C[C@@H]3CN(C(=O)OC(C)(C)C)C4)ccc21	2286228720	PVKVUQLYWCGPGE-HPNQWNLUSA-N	373.497	2.297	10	10	FECE	
COc1ccc(OC)c(CN2C(=O)NC(=O)C(=Cc3cccs3)C2=O)c1	2297327192	RXIARSBWMFWQJE-UHFFFAOYSA-N	372.402	2.427	10	10	FECE	
Nc1ccc(CC(=O)NCC(=O)Nc2ccc(Br)cc2)cc1	178436007	BEMDPIZVJPDUNJ-UHFFFAOYSA-N	362.227	2.329	10	10	FECE	
CN(C)[C@@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)c1cnn(C)c1	172275167	OMCRQRNXVWXBMB-IBGZPJMESA-N	370.501	2.122	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3CCN(CCO)[C@H](C)C3)c2C)cc1	188715793	MBSZHZAORXVTIT-MRXNPFEDSA-N	371.481	2.241	10	10	FECE	
N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1ccccc1Br	40458404	OVNROOPGZNGWAT-NSHDSACASA-N	351.200	2.369	10	10	FECE	
COc1cccc(CNC(=O)CN(C)c2cc(OC)c(OC)c(OC)c2)c1	265977897	ACPTWVHYQBRRLW-UHFFFAOYSA-N	374.437	2.474	10	10	FECE	
COc1cccc(N2C[C@H](NC(=O)/C=C/c3ccc(O)c(O)c3)CC2=O)c1	378547542	JAANZONRSDVAKH-IZPAUZPXSA-N	368.389	2.041	10	10	FECE	
COc1cc(N2CC(C)(C)O[C@]3(CCOC3)C2)c([N+](=O)[O-])cc1OC	280127692	DCMINEKODPDWPG-QGZVFWFLSA-N	352.387	2.386	10	10	FECE	
CN(C)c1ccc(CNC(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1	282673715	CNBRXVBYWKXLDI-FUHWJXTLSA-N	361.486	2.120	10	10	FECE	
COC(=O)CC[C@@H]1CC[C@H](C(=O)N[C@H](C)c2cc(OC)ccc2O)O1	821066433	YEJQOLBOTHESGV-BFQNTYOBSA-N	351.399	2.079	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)N[C@H](C3CCC3)C3CC3)C2)cc1	829636938	DGEDLPXDKUWBGV-VQIMIIECSA-N	371.481	2.085	10	10	FECE	
CC(C)[C@H](C)NC(=O)C1CCN(C(=O)c2c(F)ccc(O)c2O)CC1	825665597	UPZHYDMGNZRERC-NSHDSACASA-N	352.406	2.250	10	10	FECE	
Cc1cc(N2CCC(NC(=O)/C=C\c3ccc(O)c(O)c3)CC2)nc(C)n1	588405050	CTOVXDHDVWAMSI-XQRVVYSFSA-N	368.437	2.303	10	10	FECE	
COc1cc2c(c(OC)c1)N(CC(=O)N1CCOC[C@H]1C1CC1)CCC2	839656101	GZIFZNORYQIAFU-KRWDZBQOSA-N	360.454	2.094	10	10	FECE	
COc1ccc(N2CCCN(C[C@@H](CN)Cc3cnn(C)c3C)CC2)cc1	903885874	LBRKYHGFMDRHFI-GOSISDBHSA-N	371.529	2.067	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H](CN2CCOC2=O)C1	836321021	WZHSAYKTFQJLRX-QGZVFWFLSA-N	370.453	2.047	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCC[C@H](CNC(=O)[C@@H]3CCCN3)C2)cc1	843058083	OSAFPVIJJKIUKC-CMVQJDTNSA-N	370.541	2.346	10	10	FECE	
CCN(CC)c1ccc(CN2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1F	843425535	BPWJKUYVYZGXIP-SFHVURJKSA-N	370.490	2.061	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NCCCS(C)(=O)=O)c1O	848523635	AJSMNAXTRZTYMO-SECBINFHSA-N	366.277	2.249	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCC[C@@H]3CCCN(C)C3)C2)cc1	852377836	FEHAOCOLNVSWDY-DLBZAZTESA-N	360.502	2.305	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CC4(CCCC4)OC[C@H]3C)nc12	852634753	BJMHUMZLCYEDIL-CYBMUJFWSA-N	374.441	2.145	10	10	FECE	
COC(=O)c1ccc(O)c([C@@H](C)NCC[S@@](=O)CC(F)(F)F)c1	850496504	OOZAWSPTTBYRNS-XQHREBAHSA-N	353.362	2.140	10	10	FECE	
Fc1cc(CN[C@H]2CCOC23CCOCC3)ccc1N1CCOCC1	924711346	SLYJGQLQZPIISY-SFHVURJKSA-N	350.434	2.090	10	10	FECE	
CCOC(=O)[C@]1(F)CN(C(=O)/C=C/c2ccc(O)c(O)c2)CC12CCC2	855243095	RGSOQOZRAGSMLJ-WSSFADSRSA-N	363.385	2.395	10	10	FECE	
COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2F)c([N+](=O)[O-])c1	758169584	UKLZSCSGGHFSJP-UHFFFAOYSA-N	370.314	2.027	10	10	FECE	
CN(C)S(=O)(=O)Cc1noc(-c2ccc(-n3cccc3)c(F)c2)n1	761878218	MFFQHBLODHJEHP-UHFFFAOYSA-N	350.375	2.058	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCCc3nc(C(C)C)no3)C2)cc1	1118521523	QDQCFXVOVUZPKF-AWEZNQCLSA-N	373.457	2.322	10	10	FECE	
CC(C)(O)C[C@@H](O)CN[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	872203162	BRAYSNGWGZVTLK-DZGCQCFKSA-N	358.429	2.368	10	10	FECE	
CCOC(=O)c1csc(CCNC(=O)/C=C\c2ccc(O)c(O)c2)n1	787462726	TTWZNDKHGSRXHS-XQRVVYSFSA-N	362.407	2.103	10	10	FECE	
CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N(C)Cc2ccccc2O)C1	1964872999	CIMKHOXCLPBFHX-DHFPXDALSA-N	364.442	2.423	10	10	FECE	
Cc1cc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)nc(CO)n1	1324350477	PUDTWTSCAPGFMF-UHFFFAOYSA-N	367.497	2.421	10	10	FECE	
COc1ccc([C@@H](C)N(C)C(=O)C(=O)N2Cc3cccc(O)c3C2)cc1	1329339909	JYMLIZZGQZSLGD-CYBMUJFWSA-N	354.406	2.463	10	10	FECE	
C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNS(=O)(=O)Cc1ccc(N)cc1	708510812	MDELQXQOTIQUMU-LPHOPBHVSA-N	373.522	2.456	10	10	FECE	
O=C(Nc1cccc(N2CCCC2)c1)c1ccc(-n2[nH]c(O)nc2=O)cc1	1441798541	RVCMBHFWSHKTJE-UHFFFAOYSA-N	365.393	2.119	10	10	FECE	
COc1cnc(C2(NC(=O)/C=C\c3ccc(O)c(O)c3)CCCC2)nc1O	1456399777	BEDMFCMHTWSEFM-ALCCZGGFSA-N	371.393	2.201	10	10	FECE	
O=C(CNC(=O)c1ccc(F)cc1)NCc1ccc2cccnc2c1O	1451948791	FAJNZUDYMSMMRO-UHFFFAOYSA-N	353.353	2.126	10	10	FECE	
Cc1ccc(C(=O)NCC(=O)NCc2ccc3cccnc3c2O)s1	1469254194	XFAORPXFLUXLRA-UHFFFAOYSA-N	355.419	2.357	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)c1cccc(O)c1	1466674156	JYNZUOAJXKXCOL-LRDDRELGSA-N	373.405	2.198	10	10	FECE	
Cc1c(Br)cnc(O)c1C(=O)NCc1ccc(O)cc1O	1469159013	JDZHPRSUIJXTAQ-UHFFFAOYSA-N	353.172	2.199	10	10	FECE	
COc1c(I)ncnc1N(C)Cc1ccc(N)cc1	2120979398	UUTIVCYVPCABQG-UHFFFAOYSA-N	370.194	2.308	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@@H]2CCC(=O)N(C)C2=O)c1	1557117180	NSZQCKFIAYBOIT-MRXNPFEDSA-N	353.422	2.280	10	10	FECE	
Cn1nnc(C(=O)NCc2ccc3cccnc3c2O)c1C(F)(F)F	1557121786	AYOSJIBRHNHDKO-UHFFFAOYSA-N	351.288	2.018	10	10	FECE	
Cc1ccc(O)c(CNC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1	1564657967	CRFDFWZYQFTOFD-UHFFFAOYSA-N	355.354	2.485	10	10	FECE	
Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2124514501	XTDONBOQXCVSKU-LLVKDONJSA-N	363.422	2.217	10	10	FECE	
C[C@H](C(=O)NCc1cc(O)ccc1O)N1CCN(c2ccc(F)cc2)CC1	1643882122	NVRJOLFRJIUJPR-CQSZACIVSA-N	373.428	2.064	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@H]2CN1c1cc2c(cc1N)OCCO2	1905538381	YBIAMWLBWILCRG-SLEUVZQESA-N	361.442	2.389	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNCc2ccc3c(c2)CCN3C)C1	2154513740	VWGQHKMYLDGHMW-SFHVURJKSA-N	374.529	2.320	10	10	FECE	
Cc1ccc(O)c(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2CO)c1	2052718033	VIGQHRHBFWSFTE-GDBMZVCRSA-N	350.459	2.408	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)N1CCC(N=[N+]=[N-])CC1	2060635066	HOZSNVBSJKWDOJ-CYBMUJFWSA-N	353.423	2.314	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)N2CCC(N=[N+]=[N-])CC2)N(C(=O)OC(C)(C)C)C1	2060613066	NCQZXRIEEHTZPB-OLZOCXBDSA-N	353.423	2.312	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)c1cc(CNC(=O)OC(C)(C)C)nn1C	2060612531	HKFIZNSOJHMLGI-UHFFFAOYSA-N	351.411	2.217	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(C)(C)C	2072687761	HNJBYIQPHQBRGJ-NEPJUHHUSA-N	357.455	2.446	10	10	FECE	
CN1CCc2cc([C@@H](N)c3cc(=NC(=O)OC(C)(C)C)[nH]n3C)ccc21	2106848097	CUPJGFSYUMTWCD-QGZVFWFLSA-N	357.458	2.229	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)CCOCCOCCNC(=O)OC(C)(C)C	2268192384	GKDFWJNFXNYVIT-UHFFFAOYSA-N	373.454	2.093	10	10	FECE	
CN1CCc2cc(N3C[C@@H]4[C@H](C3)CN(C(=O)OC(C)(C)C)[C@H]4CO)ccc21	2235549149	IQBWZQBLYXYKSO-SUMDDJOVSA-N	373.497	2.343	10	10	FECE	
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)c1	2294130879	MLFXQJNBFNQIMI-UHFFFAOYSA-N	355.306	2.471	10	10	FECE	
CNC[C@@]1(O)CCCN(Cc2cc(Cl)cc(Br)c2O)C1	2286318046	FKVFPWYDTBHWPS-AWEZNQCLSA-N	363.683	2.354	10	10	FECE	
CNC(=O)c1cncc(C=CC(=O)N2C[C@H](C)Oc3cc(F)ccc32)c1	2297666858	KWOLNRXVSKSOLV-LBPRGKRZSA-N	355.369	2.408	10	10	FECE	
O=C(O)[C@@H](CO)N1C(=O)C(=Cc2cccc3ccccc23)SC1=S	2323832041	CSPBQXXXINBVQG-CYBMUJFWSA-N	359.428	2.487	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC(Cn3cncn3)CC2)c([N+](=O)[O-])c1	189213120	LSTCUEHJPGINFH-HWKANZROSA-N	371.397	2.289	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N2CCc3cc(O)c(O)cc3C2)C1	2366907140	CWIYZLORTUMWOG-AWEZNQCLSA-N	374.437	2.240	10	10	FECE	
CN(C)c1ccc(CNC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)cc1	130797244	CIGYCSFXZNMZAS-GOSISDBHSA-N	368.485	2.353	10	10	FECE	
COc1ccc(O)c(CN2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c1	377917806	MROIOLXZXNAAJH-GDBMZVCRSA-N	368.433	2.410	10	10	FECE	
Cc1cc(Cl)cc(CN2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c1O	289570207	JLXYLMKHJGRLSH-DYVFJYSZSA-N	351.834	2.307	10	10	FECE	
CC1(C)OCC[C@@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	297858890	PETOIEXUGXFBED-SFHVURJKSA-N	361.486	2.262	10	10	FECE	
C[C@@H](OCC(=O)NCc1cc(Br)ccc1O)c1nccn1C	807738181	BVWUSPPUHRCEAU-SNVBAGLBSA-N	368.231	2.282	10	10	FECE	
CN(C)c1ccc(CNC(=O)[C@H]2CSCN2C(=O)C2CCCC2)cc1	726866085	LGMCTTHQMIMTCB-QGZVFWFLSA-N	361.511	2.461	10	10	FECE	
CC[C@@H]1[C@H](CO)CCN1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	837882830	RJMMBXYPWCORQQ-HHXXYDBFSA-N	361.486	2.387	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H](CN2CCOC2=O)C1	836243978	KPVDLBHMSXLPGR-QGZVFWFLSA-N	372.469	2.271	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCC[C@]2(C)C[C@]2(F)Cl)cc1F	846727299	SECMIIVAVHYQSD-IAGOWNOFSA-N	373.831	2.329	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@]12C[C@@H]1COC2(C)C	849926071	AJEQRJJWKCGMKO-QRWLVFNGSA-N	360.454	2.069	10	10	FECE	
CCOC(=O)c1cnc(NC(=O)NCCCSc2nccs2)n1C	841711057	KJGSBNSVZBSRHL-UHFFFAOYSA-N	369.472	2.357	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccnn2C2CCCC2)cc1	746779769	ZCURHMANZMSCBR-UHFFFAOYSA-N	355.442	2.319	10	10	FECE	
C[C@H](NC(=O)N1CCC([C@@H]2COC(=O)N2)CC1)c1ccc(N(C)C)cc1	922056382	ZIVNRCBWDUNUFN-GUYCJALGSA-N	360.458	2.344	10	10	FECE	
COc1ccc(N2CC[C@@H](Nc3cc(N4CCOCC4)ncn3)C2)cc1	853759068	OONZWHDZVVQQRO-OAHLLOKOSA-N	355.442	2.013	10	10	FECE	
O=[N+]([O-])c1ccc(O)c(CNCc2ccc(CN3CC[C@@H](O)C3)cc2)c1	850357535	MURWJJCOIAQANM-GOSISDBHSA-N	357.410	2.157	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cccc4nc(O)[nH]c34)C2)cc1	855227401	WFRPIZYXFHNAIP-GFCCVEGCSA-N	352.394	2.286	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H]3Cc4ccccc4CN3)C2)cc1	852901018	YDHSQBOGUJHQMW-YLJYHZDGSA-N	351.450	2.105	10	10	FECE	
Cc1cc(Br)c(O)c(CNC(C)(C)CS(C)(=O)=O)c1	762787339	QUZKGSCCAJZWIA-UHFFFAOYSA-N	350.278	2.376	10	10	FECE	
O=C(NC[C@H]1CN(c2ccc(Cl)cc2)CCO1)c1cccc(O)c1O	862790748	VEBVKVQAQNAQNQ-AWEZNQCLSA-N	362.813	2.386	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cc3cnn4c3CCCC4)CC2)cc1F	866459724	NYHPSSUKBVSRQY-UHFFFAOYSA-N	372.444	2.258	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1nc2ccccc2oc1=O	773750897	XQKZYAMBBOXYJZ-GFCCVEGCSA-N	368.389	2.279	10	10	FECE	
COc1cc(O)c(CN[C@]2(CO)CCc3c(OC)cccc32)cc1OC	895634740	OCIVCWIJHMEQDT-FQEVSTJZSA-N	359.422	2.342	10	10	FECE	
COc1cc(NS(=O)(=O)c2cc3c4c(c2)CC(=O)N4CCC3)ccc1O	797819408	ILBQMDOOEIDPOB-UHFFFAOYSA-N	374.418	2.037	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H](O)c2cnc[nH]2)c1	1303584066	PKGZJVASZYUOEP-GOSISDBHSA-N	352.394	2.093	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCCN4CCC[C@@H]4C3)C2)cc1	1327731506	CXBJBFDKBROMTH-SJLPKXTDSA-N	358.486	2.154	10	10	FECE	
O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1	1332035672	HPWRPJJVDQLQAU-SNVBAGLBSA-N	360.435	2.443	10	10	FECE	
CN(C)c1cc(F)c(CNCc2ncccc2S(C)(=O)=O)cc1F	1261788976	PDPZUFOEEOLRFK-UHFFFAOYSA-N	355.410	2.119	10	10	FECE	
CC(C)[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CC1	1350938121	YEWVKKUNRWOQBH-IEBWSBKVSA-N	374.481	2.451	10	10	FECE	
C/C(=C/c1cccnc1)C(=O)N1CCOc2ccc(S(C)(=O)=O)cc21	1435464474	HEJMANRQKIFDLI-RAXLEYEMSA-N	358.419	2.314	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)C(=O)N3CCOCC[C@H]3C)cc2)CC1	1351070074	MTOIEBMGBRRDHU-QGZVFWFLSA-N	373.497	2.177	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@]3(C)CC(C)(C)OC3=O)C2)cc1	1519458262	XTDVOFOAJBIDPQ-DJJJIMSYSA-N	361.442	2.057	10	10	FECE	
COC(=O)[C@@H](Cc1ccncc1)NC(=O)c1cc2cc(O)c(O)cc2s1	1628438537	QGDDRPLMFHVDKC-GFCCVEGCSA-N	372.402	2.222	10	10	FECE	
Cc1ncc(I)c(NCCc2ccc(O)c(O)c2)n1	1559124931	CXJNXHMMSYOFIL-UHFFFAOYSA-N	371.178	2.455	10	10	FECE	
CCn1ncn(NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c1=O	1556825747	LYPIYDZEYJZBPZ-UHFFFAOYSA-N	373.844	2.438	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCCN32)N(C)C)cc1	1637004930	WEJPPPPAJGWRTG-UFYCRDLUSA-N	358.530	2.488	10	10	FECE	
CS(=O)(=O)c1ccc(C(=O)NCc2c(O)ccc3ccccc23)cn1	1645443629	RJSWYCRDFFZRSR-UHFFFAOYSA-N	356.403	2.274	10	10	FECE	
CC[C@@H]1C[C@H]1C(=O)N1CCC[C@@](CO)(NCc2ccc(OC)c(C)c2)C1	1570291313	PEYMZHSGXZHTRA-DBXWQHBBSA-N	360.498	2.493	10	10	FECE	
Cc1cc(CNC(=O)c2ccc(-n3cnnn3)cn2)c(C)n1-c1ccccc1	1596490469	IKSRGLXJIQROGQ-UHFFFAOYSA-N	373.420	2.395	10	10	FECE	
CC(=O)N1CCC(NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC1	1682360981	XVIHXLLSIFPXDA-UHFFFAOYSA-N	358.486	2.439	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CCN2c2cc3c(cc2N)OCCO3)C1	2132363766	FITRCXNMVAFQEC-IUODEOHRSA-N	361.442	2.486	10	10	FECE	
C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1CC(=O)Nc1ccc(N)cc1	2163041434	GUUONPUTAOICRH-CPUCHLNUSA-N	374.485	2.395	10	10	FECE	
C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)c1c(O)cccc1O	2052721876	PXZDOFQBIHHVNB-ZOWXZIJZSA-N	352.431	2.119	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COC[C@]1(C)C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060633822	RUESYGCSIFROLH-WQGACYEGSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCCCCN=[N+]=[N-])OCC12CC2	2064042023	IUQDZPXRIIRSDF-LBPRGKRZSA-N	353.423	2.362	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)COc2ccc(N)cc2)C1	2106779693	QNUZPLLSJCCNEO-KGLIPLIRSA-N	363.458	2.409	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](CNCc2ccc(O)c(O)c2)C[C@H]2COC[C@@H]21	2097568312	UJCIYOQFGMKTSY-KKUMJFAQSA-N	364.442	2.212	10	10	FECE	
O=C1Nc2cc(N3Cc4ncsc4C3)c(Br)cc2[C@@H]1O	2201392294	RIIQYQSBZHDYBV-LBPRGKRZSA-N	352.213	2.411	10	10	FECE	
Cc1cccc(CNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OC(C)(C)C)c1O	2204620182	ADEOKUSVYVMNEW-HNNXBMFYSA-N	374.441	2.176	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)NCc1ccccc1N1CCOCC1	2307986941	OXRNGLXSTYRNCO-UHFFFAOYSA-N	354.406	2.264	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)NCC1(N2CCCCC2)CCOCC1	2307987270	OJDSPCWZUSWMBT-UHFFFAOYSA-N	360.454	2.262	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@]2(NCc3cccc(O)c3O)CO[C@H]1C2	2312826717	CCFDBRDGWAWLDG-XAYKYTGQSA-N	350.415	2.012	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CC(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C1	2331230275	HLSZOYKJPASACG-MGPQQGTHSA-N	367.450	2.296	10	10	FECE	
CN(Cc1ccc(N)cc1)C(=O)CCN(CCCO)C(=O)OC(C)(C)C	2342684593	ZNRSTKDQUZLSDT-UHFFFAOYSA-N	365.474	2.237	10	10	FECE	
CN[C@H](c1ccccc1O)[C@@H](O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1	2344660476	QWKCGELPBJENMG-RRQGHBQHSA-N	366.458	2.040	10	10	FECE	
COC[C@](CNC(=O)OC(C)(C)C)(C(=O)O)N(C)c1ccc(OC)cc1	2348541090	MNUSJAMZHDTCDA-GOSISDBHSA-N	368.430	2.126	10	10	FECE	
Cc1ccn2ncc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c2n1	68720814	COHIRDIESIBOCX-UHFFFAOYSA-N	365.437	2.147	10	10	FECE	
CC(C)(C)OC(=O)CCNC(=O)/C=C/c1ccc(N2CCOCC2)cc1	124457798	GENVMVRYPXOVCP-RMKNXTFCSA-N	360.454	2.384	10	10	FECE	
CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CCCN(c2cccnn2)C1	181099654	MHMOQDURUIYSCL-HEWZJLJBSA-N	354.410	2.028	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@]12C[C@@H]2C(=O)N1CCc2cc(O)c(O)cc2C1	2366906801	WIEIKUXMVYHQDG-AUJRIZCKSA-N	374.437	2.286	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C	246700417	BYINJGLBRKAOTF-GUDVDZBRSA-N	373.497	2.478	10	10	FECE	
COc1ccc(N2CCCN(C(=O)CO[C@H](C)c3nccn3C)CC2)cc1	376314075	ADDAOCYVPKPQKC-MRXNPFEDSA-N	372.469	2.245	10	10	FECE	
Cc1ccc(CNCc2ncc(C(N)=O)s2)c(O)c1Br	2380799379	YHKHOVZROKHCES-UHFFFAOYSA-N	356.245	2.308	10	10	FECE	
O=C(OCc1ccccc1)N1C[C@H](c2ccc(O)c(O)c2)[C@@H]([N+](=O)[O-])C1	382711761	HNXWEOWDMFTKNS-CABCVRRESA-N	358.350	2.479	10	10	FECE	
CCN1CC[C@H](N(CC)C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1	823518671	AAKVZEJTQHOKJQ-IBGZPJMESA-N	374.529	2.273	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnc(C4CC4)nc3O)CC2)cc1	824678973	DIYHJCINCAVSAK-UHFFFAOYSA-N	354.410	2.031	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)c3[nH]ccc3C3CC3)nc12	838461998	MJEQIQPPZBIFAE-UHFFFAOYSA-N	370.365	2.174	10	10	FECE	
COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc([C@H](C)OC)c2)c1	734074063	IQPUSDPPHZOQHP-LBPRGKRZSA-N	358.394	2.363	10	10	FECE	
Cc1cc(C(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@H]32)c(C)n1-c1ccccn1	837096765	OFTVEHQOXVIXEZ-IAGOWNOFSA-N	373.478	2.281	10	10	FECE	
CN(C)c1ccc(CNC(=O)NC[C@H]2CCC3(CCOCC3)O2)cc1F	915366182	MHBMTNIEFBVIQQ-OAHLLOKOSA-N	365.449	2.419	10	10	FECE	
CCOC(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)nc1	855227304	VAAYGVAPFYLOFC-HNNXBMFYSA-N	369.421	2.276	10	10	FECE	
O=C(NC1(CN2CCN(c3ccccc3)CC2)CC1)c1cccc(O)c1O	855924915	YNASKUCARFEXHC-UHFFFAOYSA-N	367.449	2.182	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3C[C@@]4(C)COC[C@@]4(C)C3)C2)cc1	852448025	ALBQKHCLLHYCIP-RYGJVYDSSA-N	359.470	2.342	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCCCN3C(=O)C(C)C)C2)cc1	855231354	VVEITQPUURAUMB-APWZRJJASA-N	373.497	2.427	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3C[C@H](C)[C@@H](O)[C@H](C)C3)C2)cc1	854186929	BMJQZGCRVWVOIU-OLMMMNRUSA-N	361.486	2.180	10	10	FECE	
Cc1nc(N2CCOCC2)ccc1NC(=O)NCc1c(O)cccc1F	930448803	KDYDOAUBZKZTRC-UHFFFAOYSA-N	360.389	2.393	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CNCc1ccccc1	692466818	SNNJFSVOMIUHPH-UHFFFAOYSA-N	353.466	2.271	10	10	FECE	
CC[S@@](C)(=O)=NS(=O)(=O)NCc1ccc(N2CCCCC2)cc1	866642116	CODDKLCCZNWLOI-JOCHJYFZSA-N	359.517	2.129	10	10	FECE	
Cn1cc(CCN2C(=O)CN(Cc3ccccc3O)C2=O)c2cccnc21	865333059	QNUGSCWGAOKVDT-UHFFFAOYSA-N	364.405	2.286	10	10	FECE	
CO[C@@H](C)c1cccc(NC(=O)C(=O)NCCc2ccc(O)c(O)c2)c1	774362607	NJYYJFVBABXBET-LBPRGKRZSA-N	358.394	2.103	10	10	FECE	
COCc1ncc2c(n1)CCN(Cc1ccc(N3CCOCC3)c(F)c1)C2	895414070	AKNLXJQGWNEZJV-UHFFFAOYSA-N	372.444	2.157	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H](O)c1cc(F)c(F)c(F)c1	1167902653	BCOUNSDGKFRBFT-OMDKTOEGSA-N	353.296	2.378	10	10	FECE	
CCOc1cccc(CNCc2cccc([C@]3(C)NC(=O)NC3=O)c2)c1O	1254177019	FWDIJARJFHKYMH-FQEVSTJZSA-N	369.421	2.135	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)NCC[C@@H]1CC[C@@H]2C[C@@H]12	1351258112	FRINOXGOSFFSLE-XQQFMLRXSA-N	353.513	2.294	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)COc3ccc(N)cc3)[C@H]2C1	2132363190	JGOVODOBWWMQIY-CJNGLKHVSA-N	361.442	2.115	10	10	FECE	
C[C@@H]1COCCN1C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1	1298699852	OJBPLPBLARBRMX-CYBMUJFWSA-N	359.430	2.174	10	10	FECE	
CCOc1ccccc1N1C[C@H](C(=O)NCc2c(O)cccc2O)CC1=O	1645360952	QEBHFZHFVIFRDV-CYBMUJFWSA-N	370.405	2.166	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CNCc1ccccc1O)CC1OCCO1	1931297808	RARYTDHUFYWKNF-AWEZNQCLSA-N	352.431	2.138	10	10	FECE	
C[C@H](NC(=O)[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O	1877573046	FXSRLVSITXSIFI-DJJJIMSYSA-N	364.442	2.331	10	10	FECE	
NC(=O)c1cccc(N)c1N[C@H]1CCN(C(=O)OCc2ccccc2)C1	1978883004	BKXVHUJEYFSSMV-AWEZNQCLSA-N	354.410	2.191	10	10	FECE	
C[C@@H](O)c1ccc(N(C)C[C@H]2CCS(=O)(=O)C2)cc1Br	2148781056	DOSCCHRXTQLVAL-GHMZBOCLSA-N	362.289	2.373	10	10	FECE	
CS(=O)(=O)C[C@@H]1CCCCN1c1ccc(CO)c(Br)c1	2151289443	OGLFFNIYBNFXRV-ZDUSSCGKSA-N	362.289	2.345	10	10	FECE	
COc1cccc(O)c1CNC[C@H]1CN(C)CCN1Cc1ccccc1	850413310	AMQQMXCJIQWMRL-SFHVURJKSA-N	355.482	2.307	10	10	FECE	
COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2060613725	UVPJSWQZUCUWQC-NEPJUHHUSA-N	357.411	2.149	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)N2CCC(N=[N+]=[N-])CC2)O1	2060632470	BFYCHTZIAPRPDJ-STQMWFEESA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@](F)(CNCc2ccc(N)cc2)C1	2062128994	KSHRWCTYBYFUSP-GOSISDBHSA-N	353.438	2.334	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1	2106765490	KQUOBGDOHIBWIC-NQCMUKECSA-N	360.458	2.195	10	10	FECE	
CC(C)(C)OC(=O)NC1(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])CCOCC1	2218743579	GIJJKCWTKBMSFU-NEPJUHHUSA-N	353.423	2.408	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])C1	2225794570	GZSKHAOKXKJHQY-SFDCBXKLSA-N	365.434	2.360	10	10	FECE	
Cc1ccc(N2CC[C@H](NC(=O)C=Cc3ccc(O)c(O)c3)C2=O)cc1	2307987718	GNDCNQBRXDWDMI-INIZCTEOSA-N	352.390	2.341	10	10	FECE	
COC(=O)[C@@H]1C[C@@H](C)N(C(=O)c2cc(O)c(O)c(O)c2)c2ccccc21	170190727	LMQCWYAQHVBEDU-ZWNOBZJWSA-N	357.362	2.499	10	10	FECE	
CN(C)CCN(Cc1cccnc1)C(=O)NCc1ccc(N(C)C)cc1	79411772	IEWNLZVMSBCVKG-UHFFFAOYSA-N	355.486	2.421	10	10	FECE	
CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21	33285867	AHIQROHXIMRXMI-SEYXRHQNSA-N	362.432	2.099	10	10	FECE	
CC1(C)CC[C@H](CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)O1	186346836	LKAAOXAGVRNFST-OAHLLOKOSA-N	365.449	2.419	10	10	FECE	
N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCc1ccc(Br)s1	40468991	BYPCKPVQGLWOPL-JTQLQIEISA-N	371.256	2.108	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)NC[C@H](O)c1ccccc1	255911398	NWIGUAZVBUIYAH-WUQYLLKWSA-N	352.434	2.386	10	10	FECE	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2cncnc2)cc1	279268647	UZUGIJQDZJJQEC-LJQANCHMSA-N	354.454	2.293	10	10	FECE	
COc1ncc(/C=C\C(=O)NCc2cc(Br)ccc2O)cn1	804739230	BSFUTTJWEHVHBU-DJWKRKHSSA-N	364.199	2.283	10	10	FECE	
Cc1ccc(CN(C)C(=O)[C@](C)(N)C(F)F)c(O)c1Br	2381133451	OVLPHRAFQCAEGQ-CYBMUJFWSA-N	351.191	2.404	10	10	FECE	
O=C(CN1CCCCCC1=O)NCc1cc(Br)ccc1O	804737989	YBQGVBOIQHGDFI-UHFFFAOYSA-N	355.232	2.174	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O	808508037	OXFAKSWNBLYRGW-SNVBAGLBSA-N	358.177	2.048	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1	808522411	TVJRGOHHXGXNFD-HNNXBMFYSA-N	374.220	2.068	10	10	FECE	
C[C@H](C[C@H]1COCCN1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	817916194	CQNMIZSCCFTYOW-NQIIRXRSSA-N	372.557	2.075	10	10	FECE	
Cc1cc(CN2CC[C@@H](NS(C)(=O)=O)C2)ccc1N1CCCCC1	827842869	COZQUDOZBKLBLL-QGZVFWFLSA-N	351.516	2.109	10	10	FECE	
CC(C)N(CCS(C)(=O)=O)C(=O)c1cc2cc(O)c(O)cc2s1	901193041	KXTPTYOVUTXHMS-UHFFFAOYSA-N	357.453	2.208	10	10	FECE	
Cc1cc(C(N)=O)cc(S(=O)(=O)NCCCSc2nccs2)c1	849375560	YDAPPZIEKCMNIY-UHFFFAOYSA-N	371.509	2.011	10	10	FECE	
Cc1cc(O)c(CN2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c(Cl)c1	840946637	DASVZFGMALVSSD-GTNSWQLSSA-N	351.834	2.307	10	10	FECE	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CC(F)(F)CN)cc1	846676870	JTJDTMBTLVFEMM-MRXNPFEDSA-N	355.429	2.244	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](c3ccco3)N(C)C)C2)cc1	853233318	MEVXWQXFOXHLRD-MAUKXSAKSA-N	372.469	2.469	10	10	FECE	
CCN(OC)C(=O)CNC(=O)NCc1cc(C)n(-c2ccccc2)c1C	858573923	FJUWLNBVSBNKMW-UHFFFAOYSA-N	358.442	2.303	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@]4(CCCOC4)C3)C2)cc1	852450103	YTJYOYCXIUHOIU-UZLBHIALSA-N	359.470	2.486	10	10	FECE	
CN1CCN(c2ccc(CN[C@H]3CCCN4CCSC[C@H]34)cc2)CC1	922522722	GACRTJBVAHBOMG-VQTJNVASSA-N	360.571	2.108	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H](C)Cc4c[nH]nc43)CC2)cc1	857844213	GEVGVIAWUJDTQD-RDTXWAMCSA-N	354.454	2.433	10	10	FECE	
Cc1ccc([C@H](C)N[C@@H]2CCN(c3ccc4nncn4n3)C2)c(O)c1C	858489553	GMNACMFHXMYLKF-LSDHHAIUSA-N	352.442	2.376	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@@H]1C[C@@H](O)CCO1	1951695857	OZGXAJSKCXMZLK-ZENOOKHLSA-N	353.415	2.074	10	10	FECE	
Cc1ccc(C(=O)N2CC(C)(C(N)=O)C2)cc1-n1c(C)cc(C=O)c1C	862092309	VVHFJGBKQBZDTQ-UHFFFAOYSA-N	353.422	2.162	10	10	FECE	
COC(=O)/C=C/c1ccc(N2C[C@@H](CO)[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1	866077407	SWTXRRYKXOUNRX-UHOOHFNOSA-N	374.315	2.388	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CN(C)C(=O)c2ccccc21	935945602	DFLIXPGRCHDAFR-HNNXBMFYSA-N	359.422	2.364	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3[C@H]4C[C@@H]5CO[C@@H]3[C@H]5C4)C2)cc1	868721129	RYMBPPSMHWYIKN-HUGJHKJRSA-N	371.481	2.244	10	10	FECE	
C[C@]1(c2cccc(CNCc3ccc4c(c3)CCCO4)c2)NC(=O)NC1=O	1119677445	HGFQWQRCTRPEQN-OAQYLSRUSA-N	365.433	2.356	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)N3[C@@H](C)C[C@H]3C)CC2)cc1	792007607	OKGCDWFSAGCPGO-CALCHBBNSA-N	360.502	2.400	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)N(C)C)cc1	1304767508	HZWHBOXOOFIUQI-SFHVURJKSA-N	372.425	2.399	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(C(=O)N3CC[C@@H](CN=[N+]=[N-])C3)(CO1)C2	2124542316	CLFIFIAXDLYFBW-CDEQTRAXSA-N	365.434	2.219	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1	1322957067	XLXUANRAJYQDSF-DOXZYTNZSA-N	371.481	2.085	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N2CCNC(=O)C2(C)C)CCCC1	1279203160	HFKJRWQQIMDASQ-UHFFFAOYSA-N	369.465	2.266	10	10	FECE	
O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1	2132348438	LMRNBKBDEUTYSW-IYBDPMFKSA-N	354.406	2.007	10	10	FECE	
CO[C@@](C)(CNC(=O)c1cc(O)c(O)c(O)c1)COCc1ccccc1	2132350095	KLKUUOLJLZLCGA-IBGZPJMESA-N	361.394	2.155	10	10	FECE	
CC1=NNC(=O)[C@@H]1CCNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1	1443448013	RQXGTHYIDKBOSR-GOSISDBHSA-N	366.421	2.148	10	10	FECE	
CCOC(=O)C(N=Nc1ccc(Cl)cc1)(NC(C)=O)C(=O)OCC	1531841448	HWHIJSLYDHHBBM-UHFFFAOYSA-N	355.778	2.382	10	10	FECE	
CCCOc1ccnc(CC(=O)N(C)CCN(C)c2ccc(OC)cc2)n1	1469804235	DSARNYDNLPNLNI-UHFFFAOYSA-N	372.469	2.411	10	10	FECE	
COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1	1469816288	ZYSQHMKQZFKUHZ-SJORKVTESA-N	370.449	2.399	10	10	FECE	
CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1Cc1ccoc1	1706584614	FWYKIOALMNFTTC-UHFFFAOYSA-N	369.425	2.400	10	10	FECE	
COC(=O)[C@@]1(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)CCOC1	1628011978	HENJNQFTGIYHOY-HXUWFJFHSA-N	356.422	2.404	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)N1CSCCSC1	1567468003	XNLWPSJMWHUOPK-VXGBXAGGSA-N	356.513	2.231	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3ccc(Cl)[nH]3)CC2)cc1	1631442965	PCHWDESLEBWQEO-UHFFFAOYSA-N	362.861	2.229	10	10	FECE	
NC(=O)c1cccc(CN(C(=O)/C=C\c2ccc(O)c(O)c2)C2CC2)c1	1640927891	GHASYIDCKDJZDB-UITAMQMPSA-N	352.390	2.401	10	10	FECE	
CCO[C@H]1[C@@H](C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)[C@H]1C	1585403405	HQGKCOMKNFIMDZ-MDASCCDHSA-N	363.477	2.255	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2nc(CO)[nH]c2c1	1586832745	TZHIHEJTPGTHGD-UHFFFAOYSA-N	352.394	2.160	10	10	FECE	
CN(C)C(=O)Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccccc1O	1766877054	ONLGBCARMJEKDV-UHFFFAOYSA-N	359.474	2.297	10	10	FECE	
CON(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N(C)C)c(F)c1	1698268574	XLDUPRRLIPXZPV-CQSZACIVSA-N	363.437	2.423	10	10	FECE	
COc1cc([C@@H]2CC(C(=O)Nc3ccc(N)cc3)=NO2)cc([N+](=O)[O-])c1O	586036092	NXAUCBHDQCHOPY-AWEZNQCLSA-N	372.337	2.347	10	10	FECE	
Nc1ccc(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)cc1	1936746139	SUAFIVHVYSSSDV-UHFFFAOYSA-N	373.434	2.087	10	10	FECE	
CN(Cc1ccccc1O)C(=O)N[C@H](COCc1ccccc1)C(=O)O	1877542062	BNAVBAWAIMZOMJ-MRXNPFEDSA-N	358.394	2.204	10	10	FECE	
C[C@@H](N)c1ccc(N2CC[C@H]3CS(=O)(=O)C[C@@H]32)c(Br)c1	2151276214	RQQOOYLATXGBDR-PUYPPJJSSA-N	359.289	2.092	10	10	FECE	
Nc1ccc(CCC(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cc1	2153983170	NIKQDTITXXXYTJ-NHCUHLMSSA-N	365.477	2.313	10	10	FECE	
COc1ccc(CN[C@@H]2COC[C@@H]2CNC(=O)OC(C)(C)C)c(O)c1	2036598855	JMWYUJWNDWIKIZ-DZGCQCFKSA-N	352.431	2.030	10	10	FECE	
O=C(c1cccc(O)c1O)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21	404168909	SCANVGCGWFTWSR-MJGOQNOKSA-N	368.433	2.213	10	10	FECE	
CN1CCc2cc(CNC3(CCO)CN(C(=O)OC(C)(C)C)C3)ccc21	398067530	OHHVXLDPQJLXIA-UHFFFAOYSA-N	361.486	2.140	10	10	FECE	
NC[C@]12CN(Cc3cc(Cl)cc(Br)c3O)C[C@H]1CCO2	2175176023	KCDRPFUNFTWSSR-YGRLFVJLSA-N	361.667	2.358	10	10	FECE	
COC(=O)c1nn(Cc2cc(F)ccc2O)c(C(F)(F)F)c1[N+](=O)[O-]	2079217516	JJQOHHIWOFCYKX-UHFFFAOYSA-N	363.223	2.490	10	10	FECE	
CN(C(=O)CN1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)c1ccc(N)cc1	2188876775	CRHLWVFBERXPHA-GHTZIAJQSA-N	364.493	2.438	10	10	FECE	
CCN(CCNC(=O)CCOc1ccc(N)cc1)C(=O)OC(C)(C)C	2044201772	MAVKFPMBYJDION-UHFFFAOYSA-N	351.447	2.411	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CN1CCO[C@H]2CCNC[C@@H]21	2185534811	WWQYYBXLJWEWHJ-STQMWFEESA-N	361.667	2.371	10	10	FECE	
COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2060613726	UVPJSWQZUCUWQC-NWDGAFQWSA-N	357.411	2.149	10	10	FECE	
COC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2060633742	RAMRQCRHTUPBGH-BLLLJJGKSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1[C@@H](CNC(=O)Cc2ccc(N)cc2)COC1(C)C	2106263310	BAWDNQAQAOYZQQ-HNNXBMFYSA-N	363.458	2.300	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(CNCc2ccc(O)cc2O)C1	2229487933	XLGYFEQYZOZPNF-LIRRHRJNSA-N	364.442	2.213	10	10	FECE	
C[C@H](O)CN(CCNC(=O)OC(C)(C)C)c1ccc2c(c1)COCC2	2257595332	RACFMOIEGVQWDJ-AWEZNQCLSA-N	350.459	2.471	10	10	FECE	
COC(=O)[C@@H](C)N1C(=O)C(=Cc2ccc(O)c([N+](=O)[O-])c2)SC1=S	2293202187	SEYRALOSZSLTAC-SSDOTTSWSA-N	368.392	2.063	10	10	FECE	
COC(=O)[C@@H](C)N1C(=O)C(=Cc2ccc(O)c(OC)c2)SC1=S	2293308586	AOJUWBUNWWSWIV-MRVPVSSYSA-N	353.421	2.164	10	10	FECE	
CN(C)CCOc1cccc(CNC(=O)C=Cc2ccc(O)c(O)c2)c1	2308000798	SQIRYQQBMUKANF-UHFFFAOYSA-N	356.422	2.368	10	10	FECE	
O=C(NC1CCCCC1)N1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1	173196024	DCUXZBGZYVSJIO-UHFFFAOYSA-N	362.430	2.460	10	10	FECE	
CCc1cnc(NC(=O)C(=O)N2CCN(c3ccc(OC)cc3)CC2)s1	190340489	HXVVCLHUZPNXSC-UHFFFAOYSA-N	374.466	2.001	10	10	FECE	
CCN1CCC[C@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1	194158396	ABEQVSVEUXIAMS-IBGZPJMESA-N	374.529	2.179	10	10	FECE	
O=S1(=O)CCC[C@H](N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	245980597	BABHYQLWGOHDSF-KGLIPLIRSA-N	374.453	2.424	10	10	FECE	
Nc1ccc(OCCC(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)cc1	2162517797	JBEQKXRBMURKHA-CYBMUJFWSA-N	373.375	2.097	10	10	FECE	
CC(=O)C(=O)COC(=O)c1cc(I)cc(C)c1C	808528142	SVXPDORKLVAKPD-UHFFFAOYSA-N	360.147	2.223	10	10	FECE	
CNC(=O)[C@@H]1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1	817160028	PKOFQIIVMVWFFC-QGZVFWFLSA-N	358.486	2.200	10	10	FECE	
COc1nccc(CNCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1	824037136	CDRKBJMVNGTSRW-UHFFFAOYSA-N	367.497	2.307	10	10	FECE	
O=C(NCc1c(O)cccc1F)Nc1nc(CN2CCOCC2)cs1	902945438	TYMFDUAKZZJOFE-UHFFFAOYSA-N	366.418	2.142	10	10	FECE	
NC(=O)C1CCN(c2ccc(CN[C@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@H]34)cc2)CC1	903092284	BZZKKFSVKPDOTD-ALGQRKQJSA-N	369.509	2.291	10	10	FECE	
C[C@@H]1CCN(c2cc(C(=O)NC[C@H](N)c3ccc(N(C)C)cc3)ccn2)C1	832266289	DPUMRFFIXUBEKV-BEFAXECRSA-N	367.497	2.424	10	10	FECE	
CC(C)N(C[C@H]1CCC(=O)N1)C(=O)NCCCSc1nccs1	840325403	VWOQLXDPYIOWGC-GFCCVEGCSA-N	356.517	2.324	10	10	FECE	
C[C@@H](NCC[C@@H]1CNC(=O)C1)c1ccc(N2CCOCC2)cc1Cl	926984789	HXKUBCPAOJOSGE-KGLIPLIRSA-N	351.878	2.353	10	10	FECE	
CO[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[C@@H]1CCOC1	857577810	DRNNQSOBFRKSBJ-MPBGBICISA-N	365.385	2.452	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)C1(CF)CCOCC1	856216227	SSSNGSSTKBSNHQ-UHFFFAOYSA-N	350.434	2.030	10	10	FECE	
COc1ccc(CNC(=O)c2c[nH]c3cc(OC)ccc3c2=O)c(O)c1	796349913	FRUWYDPBTNYDAV-UHFFFAOYSA-N	354.362	2.181	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN3CC(C)=C[C@H](C)C3)CC2)cc1	797526581	VKUUIASBTOUMML-FXAWDEMLSA-N	359.514	2.076	10	10	FECE	
CCOC(=O)[C@@H]1CC[C@H](NC(=O)N[C@H](C)c2cc(OC)ccc2O)C1	798105022	RDDIAUYCUOCWMF-UPJWGTAASA-N	350.415	2.493	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCC[C@H]2CCCC2(F)F)cc1F	1331647071	BBOFKDLKDRUCDB-CYBMUJFWSA-N	371.403	2.450	10	10	FECE	
CN(C)CCC[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CCO1	1330665976	OWYIAAWALACQQS-IBGZPJMESA-N	374.529	2.321	10	10	FECE	
Cc1cnc2nc(C(=O)N(C)Cc3ccc(N4CCCC4)cc3)nn2c1	1349116540	AWVAZZJHCQETJE-UHFFFAOYSA-N	350.426	2.305	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cccc(CNC(C)=O)c3)CC2)cc1	1519575434	SSCDQPVWWWCZNM-UHFFFAOYSA-N	367.449	2.294	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@H](N(C)C)C3)cc2)CC1	1455228480	XDCRATFJKVANOK-ICSRJNTNSA-N	358.530	2.175	10	10	FECE	
Cc1ccc(-c2nnn(CC(=O)NCc3cccc(Cl)c3O)n2)cc1	1606861236	ZXCDULOTOZQANI-UHFFFAOYSA-N	357.801	2.324	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](CNC(=O)OC(C)(C)C)OC	1627028452	IHBITPFSKZJQGE-ZDUSSCGKSA-N	373.446	2.034	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](Cc1ccccc1)c1nc(O)n[nH]1	1557910556	DSQRYRWWVTVDND-IUCKJTJTSA-N	366.377	2.035	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1	1652625384	DIOYYGHGTVGTLQ-OAHLLOKOSA-N	366.417	2.256	10	10	FECE	
COCCN1CCC(N[C@H](C)c2ccc(N3CCC(O)CC3)cc2)CC1	154818231	UIOYGQJUTCIWGP-QGZVFWFLSA-N	361.530	2.409	10	10	FECE	
Cc1cc(/C=C2/SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)ccc1F	1858595994	LMQHFSVYTPYIPX-XXNJBDPSSA-N	369.395	2.263	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3c3ccccn3)CC2)cc1	1890117899	YVPBNTMNXPRRFF-IBGZPJMESA-N	366.465	2.408	10	10	FECE	
CCCN(CCC(=O)OCC)C(=O)CNCc1cc(Cl)ccc1O	1857868756	ZQALFLXXWLQSOH-UHFFFAOYSA-N	356.850	2.327	10	10	FECE	
CCOC(=O)CCOc1c(C)n(CCOc2ccc(N)cc2)ccc1=O	1857919513	KEICSGLTELRPPO-UHFFFAOYSA-N	360.410	2.150	10	10	FECE	
Cc1nc(I)c(N)c(=NCc2cccc(C)c2O)[nH]1	2139761543	IMBZHVMTUXIMPH-UHFFFAOYSA-N	370.194	2.020	10	10	FECE	
COc1ccc([C@H](C)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(O)c1	1918994655	VBEXMOVCSMJUMY-ORAYPTAESA-N	366.458	2.423	10	10	FECE	
CNCc1ccc(N(C)[C@@H]2CS(=O)(=O)C2(C)C)cc1Br	2153858462	XJNFPXKLHRHIRH-CYBMUJFWSA-N	361.305	2.180	10	10	FECE	
CN[C@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H]3CS4)c(Br)cc21	320966400	JPGKDOCGRHFPLN-HHURGBBESA-N	354.273	2.356	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccn(-c3ccc(N)cc3)n2)C1	2162523050	YAAAMHWZTRICAV-CQSZACIVSA-N	371.441	2.194	10	10	FECE	
C[C@@H]1CCN([C@H](CN)c2ccc(N(C)C)cc2)C[C@H]1NC(=O)C(F)(F)F	2194826466	ZEFIBDJTBSRGAA-DAXOMENPSA-N	372.435	2.141	10	10	FECE	
COc1cccc(CNCCCOCCNC(=O)OC(C)(C)C)c1O	2049163371	UHOMHQOAFNDJHT-UHFFFAOYSA-N	354.447	2.422	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)COc2ccc(N)cc2)C1	2106230779	QIDBRYIUFKWTMW-AWEZNQCLSA-N	363.458	2.411	10	10	FECE	
C[C@@H]1CN(CC(=O)Nc2ccc(N)cc2)C[C@H]1CNC(=O)OC(C)(C)C	2106677777	KEOGXWTXXSDBDY-ZIAGYGMSSA-N	362.474	2.300	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(C(=O)COc1ccc(N)cc1)C2	2106698114	VEWZKGRNGZFSED-GJZGRUSLSA-N	361.442	2.258	10	10	FECE	
CN(C[C@H]1CCN(C(=O)COc2ccc(N)cc2)C1)C(=O)OC(C)(C)C	2106774466	QINGYVCSNWJKLH-CQSZACIVSA-N	363.458	2.363	10	10	FECE	
COc1ccc(CNc2cnn(C)c2I)c(O)c1	2254139022	AXQKCZUSHUTYDM-UHFFFAOYSA-N	359.167	2.351	10	10	FECE	
O=C(O)C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S	2293067489	NFCFWBGPXXNSSR-SECBINFHSA-N	371.823	2.469	10	10	FECE	
COc1ccc(N2CCN(Cc3nc(-c4cccnc4)no3)CC2)cc1	54218379	OAWZTUZQLIOSLC-UHFFFAOYSA-N	351.410	2.462	10	10	FECE	
CN1CCC(c2ccc(N/C=C3/C(=O)N=C(S)N(C)C3=O)cc2)CC1	102548572	TWGZNGGVEPSNPT-PTNGSMBKSA-N	358.467	2.076	10	10	FECE	
CN1CCO[C@@H](CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1	105280863	SSJIBDAQWKZFRP-IBGZPJMESA-N	360.502	2.149	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2ccc(-n3cnnn3)cc2Cl)cc1F	103780597	GVBVGYZSCSMXMW-UHFFFAOYSA-N	374.807	2.451	10	10	FECE	
Cc1cccn2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)nc12	65229855	HPCPDWZVPKVMJM-UHFFFAOYSA-N	350.422	2.409	10	10	FECE	
CN1C(=O)Cc2cc(N3CCN(C(=O)c4ccc(F)cc4)CC3)ccc21	62576004	RMJMIUWOPYPBMH-UHFFFAOYSA-N	353.397	2.307	10	10	FECE	
O=S(=O)(C(F)F)[C@H]1CCN(Cc2c(O)cccc2Br)C1	2368504042	BMBJHBKHPKRADG-QMMMGPOBSA-N	370.215	2.366	10	10	FECE	
C[C@@H]1COCCN1C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92438259	LAYYQZMMIFDNJU-QGZVFWFLSA-N	372.513	2.149	10	10	FECE	
COc1ccc(N2CCN(C(=O)CNc3ccc4c(c3)OCO4)CC2)cc1	243980517	SCVYHGRJXSDLGK-UHFFFAOYSA-N	369.421	2.185	10	10	FECE	
CCCCCN(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)=O	243123810	JJDLUWNSDDFJMH-UHFFFAOYSA-N	361.486	2.383	10	10	FECE	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CCc2nc[nH]c2C1	377988356	PENQVSJDBUWRIE-LBPRGKRZSA-N	360.801	2.090	10	10	FECE	
COc1ccc(OCCS(=O)(=O)Nc2ccc(O)c(OC)c2)cc1	280670707	YLERPPNXJNHTNK-UHFFFAOYSA-N	353.396	2.230	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCCCC[C@H]1CCO	806511211	FZWRAGYGKWUCEP-IBGZPJMESA-N	361.486	2.360	10	10	FECE	
CN(C)c1ccc([C@@H](N)[C@@H]2Cn3cnnc3CN2C(=O)OC(C)(C)C)cc1	2163130142	FEPCBUWMQKWJJO-DOTOQJQBSA-N	372.473	2.163	10	10	FECE	
COc1ccc(N2CCCN(C(=O)Cc3ccnc(OC)c3)CC2)cc1	822920049	UEJRNJSFEWAEFR-UHFFFAOYSA-N	355.438	2.380	10	10	FECE	
C[C@@H](CNC(=O)C(=O)NCCCSc1nccs1)c1ccccn1	828240361	ZDTLOOMVIHPERW-LBPRGKRZSA-N	364.496	2.056	10	10	FECE	
CC[C@H](CO)N(C)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	838532015	DFSBFQYIQXYMGO-LJQANCHMSA-N	374.529	2.131	10	10	FECE	
CN(Cc1ccc(Cl)nc1)C(=O)c1cc(NS(C)(=O)=O)ccc1O	919811670	RNYUDQAFPARUBJ-UHFFFAOYSA-N	369.830	2.084	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3C[C@H](O)C[C@H]3[C@@H]3CCCOC3)ccc21	838031993	UPZQUWPMFQPFAM-GGPKGHCWSA-N	373.497	2.140	10	10	FECE	
CC1(C)CN(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1	847591207	RSRSLFFPHQDIFU-INIZCTEOSA-N	365.905	2.468	10	10	FECE	
O=C(NCc1c(O)ccc2c1CCCC2)NC[C@H]1CCN1C1CCOCC1	927643505	JDHRIYIHEKVHMI-QGZVFWFLSA-N	373.497	2.324	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@@H]3CO[C@@H](C4CC4)C3)CC2)cc1	858911621	LWNSXMPNSOUSCW-QFBILLFUSA-N	359.470	2.484	10	10	FECE	
CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1	851988512	ZXVYUAGBTHEPOT-GOSISDBHSA-N	373.501	2.184	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCO[C@@H](CC(N)=O)C2)c1C	863487969	AEJAXEHKJZDROF-INIZCTEOSA-N	355.438	2.119	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3[C@H]4C[C@@H]5CO[C@H]3[C@H]5C4)C2)cc1	868721131	RYMBPPSMHWYIKN-UGCNJCKESA-N	371.481	2.244	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)cc1	785440576	AQRBRWNINVKKCV-QGZVFWFLSA-N	371.868	2.306	10	10	FECE	
COc1cc(C)cc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1C	787575330	XIWCOGKISQPKLW-LBPRGKRZSA-N	372.421	2.409	10	10	FECE	
COCCN1CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1=O	793166703	BZTLOHYIRQYGBF-UHFFFAOYSA-N	373.419	2.452	10	10	FECE	
CN(Cc1cc(Br)cn1C)C(=O)Cc1ccc(O)c(O)c1	1150893769	KDMBNOMFMUYVLY-UHFFFAOYSA-N	353.216	2.400	10	10	FECE	
CC(C)(C)OC(=O)Nc1ncc(C(=O)NCCc2ccc(O)c(O)c2)o1	2124243324	YYKZJYDWLUKCOV-UHFFFAOYSA-N	363.370	2.405	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)C1	2124540259	FMZCJDYVCTTZFI-IIYDPXPESA-N	365.434	2.171	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)C1	2124507417	AACGZJPSPJHZBL-GDZNZVCISA-N	365.434	2.314	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1cc(O)c(O)c(O)c1	2132404541	SLQJLWFJGWANRF-PHIMTYICSA-N	366.414	2.273	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3CC[C@H]4CCCCN43)CC2)cc1F	1445838613	BOKHMGCSPQOMDW-CRAIPNDOSA-N	361.461	2.500	10	10	FECE	
Cc1cccc(OC[C@H](O)CNC(=O)c2ccc(N=NC(N)=O)cc2)c1	1622129712	GDUOJQMTHUABSZ-OAHLLOKOSA-N	356.382	2.327	10	10	FECE	
CS(=O)(=O)c1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)c(N)c1	1566359544	GKYOPXDVUPBLRL-UHFFFAOYSA-N	374.462	2.187	10	10	FECE	
O=Cc1cn(CC(=O)NCc2c(O)cccc2O)nc1-c1ccccc1	1647290251	QCWNRPKWYDERDF-UHFFFAOYSA-N	351.362	2.090	10	10	FECE	
COC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)c1cc2cc(O)c(O)cc2s1	1645093021	WSIGCWIBZILXLD-WDEREUQCSA-N	365.407	2.153	10	10	FECE	
COC[C@@H](Cn1c(CC(C)C)nnc1N(C)Cc1ccccc1O)OC	1697763628	AGDYWSAVZKVXQW-MRXNPFEDSA-N	362.474	2.480	10	10	FECE	
Cn1nc(CNC(=O)OC(C)(C)C)cc1C(=O)NCCCCN=[N+]=[N-]	1964943976	OBICANBHBWYCLH-UHFFFAOYSA-N	351.411	2.265	10	10	FECE	
CN(C)C(=O)CN(C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2	388308714	CDTMTSOCNVWDTL-UHFFFAOYSA-N	362.474	2.086	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CCCN(C=O)CC3)ccc(N)c2C1	2162989887	WVLIFMFAMFHKKJ-UHFFFAOYSA-N	374.485	2.231	10	10	FECE	
CC[C@H](c1ccc(OC)cc1O)n1nc(C(F)(F)F)c(C(N)=O)c1N	2079849476	XUGREQROEDQQKF-SECBINFHSA-N	358.320	2.297	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCN=[N+]=[N-])[C@@H](C(F)(F)F)C1	1908253371	QZHUNUWFGWLLMX-IUCAKERBSA-N	351.329	2.458	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CC(=O)C(=O)C[C@H]1C[C@H](N)C1)C(F)(F)F	1908661021	DWMNKCXDORHCLJ-KBVBSXBZSA-N	352.353	2.098	10	10	FECE	
C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2ccc(O)c(O)c2)C1	2054410984	SSPUHUFOHKXZOV-AAEUAGOBSA-N	350.415	2.473	10	10	FECE	
CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(c1cc3c(cc1N)NC(=O)CC3)C2	2106818160	KXEVUMTUSVJMOO-BUXKBTBVSA-N	358.442	2.257	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNCc2ccc3c(c2)CCCO3)C1	2087536399	RUPAPDSOGREVLR-SJORKVTESA-N	362.470	2.329	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NCc3ccc(O)cc3O)CO[C@H]1C2	2255112930	IZQOKFQZLCSCRS-XUWXXGDYSA-N	350.415	2.012	10	10	FECE	
CCOC(=O)[C@@H](C)N(C(=O)C=Cc1ccc(N2CCOCC2)cc1)C1CC1	2311255795	PULVUZZXLXETLJ-MRXNPFEDSA-N	372.465	2.479	10	10	FECE	
CC[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCN1CC(F)F	301885250	LVLKSRJEWPDIGE-SNVBAGLBSA-N	370.356	2.091	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C=C[C@H](C(=O)N2CCc3cc(O)c(O)cc3C2)C1	2366906529	RNQMIKVRNACOLI-ZFWWWQNUSA-N	374.437	2.452	10	10	FECE	
NC(=O)N1CCC(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	130061994	ICINDZQDNWUPOV-AWEZNQCLSA-N	368.428	2.390	10	10	FECE	
N[C@@H]1C(=O)Nc2cc(N3CCO[C@@H]4CCC[C@H]43)c(Br)cc21	227462108	FUFDHPSLUWTEJB-BNOWGMLFSA-N	352.232	2.159	10	10	FECE	
C[C@@H](NC(=O)/C=C\c1ccc(N2CCOCC2)cc1)C(=O)N1CCCCC1	255507531	YPRGYXIJVCYFAD-CGQZWFTASA-N	371.481	2.054	10	10	FECE	
C[C@H](N[C@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1	284546009	XSQIGDRBRZSNFX-URLQWDBASA-N	368.493	2.471	10	10	FECE	
COc1cc(N2CCN(C(=O)N[C@H]3CC[C@H]3C)CC2)cc(OC)c1OC	805866414	MCCYWSFYRSJWDY-HIFRSBDPSA-N	363.458	2.343	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C	808534915	WRRRLUPEGLBNNV-OAHLLOKOSA-N	361.394	2.050	10	10	FECE	
CN[C@@H](c1ccc2c(c1)CCN2C)c1cc(=NC(=O)OC(C)(C)C)[nH]n1C	2163125102	AHDOUDHCWSRWGX-SFHVURJKSA-N	371.485	2.490	10	10	FECE	
C[C@H](Cn1cc(Br)ccc1=O)NCCc1ccc(N)cc1	817956778	CRRBAAZTVIXHHC-GFCCVEGCSA-N	350.260	2.414	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)CN3CC(C)(C)C3)cc2F)C[C@@H](C)O1	816891336	PZWVNMSEEZBODH-GASCZTMLSA-N	363.477	2.397	10	10	FECE	
CNC(=O)[C@@H]1CCN(CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)C1	817283977	GIMXASFJJKNXDP-OAHLLOKOSA-N	357.429	2.484	10	10	FECE	
CCOC(=O)[C@H](C)[C@@H](C)NC(=O)/C=C\c1ccc(N2CCOCC2)cc1	588428658	MCIFACQFYQVQDR-LWALAHDXSA-N	360.454	2.240	10	10	FECE	
COc1cc(-c2noc(CN[C@@H](C)c3ccc(N(C)C)cc3)n2)ncn1	828958660	BGGQDVWHVMDUDQ-LBPRGKRZSA-N	354.414	2.452	10	10	FECE	
CCO[C@@H]1C[C@H](NC(=O)N[C@H](C)c2cc(OC)ccc2O)[C@H]1n1cccn1	836496421	QQIQKPZYXUCLQC-UOAMXJAYSA-N	374.441	2.376	10	10	FECE	
Nc1ccc(CCNC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)cc1	841899315	VIWFDKAVAYAQTE-AEFFLSMTSA-N	358.486	2.292	10	10	FECE	
Nc1c(C(=O)OC[C@H]2CCCO2)ccc2c1C(=O)c1ccccc1C2=O	915551153	QGRXYAUWBBPGKO-LLVKDONJSA-N	351.358	2.380	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=S)Nc3ccc(C(N)=O)cc3)C2)cc1	849270543	IBVMIHZGNLAMST-OAHLLOKOSA-N	370.478	2.359	10	10	FECE	
CCOC(=O)C1([S@](C)=O)CCN(Cc2cc3c(cc2O)CCC3)CC1	840106315	TUQCNNZEZMXNPC-VWLOTQADSA-N	365.495	2.157	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCCCN3CCCCC3)C2)cc1	853247471	QLTXZANBZODHBS-QGZVFWFLSA-N	360.502	2.449	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1C[C@H](O)C12CCC2	853436052	PXJCBGGPIOGLCJ-IRXDYDNUSA-N	361.511	2.343	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)NC[C@@H]3C=C[C@H]4C[C@@H]3CO4)C2)cc1	922950303	HMFBYXZIUPBTBG-YZLZLFLDSA-N	371.481	2.412	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn(C[C@@H]2CCOC2)nn1	858826709	NPGLGAJYOZYHHM-INIZCTEOSA-N	357.458	2.043	10	10	FECE	
COC(=O)N1CCC(C(=O)NCc2cc(Br)ccc2O)CC1	854442128	HPVVJGLTPGBTFK-UHFFFAOYSA-N	371.231	2.249	10	10	FECE	
COC(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1	855228961	ICCVPFBXTKISQD-MRXNPFEDSA-N	354.406	2.491	10	10	FECE	
CCOC(=O)c1cn(C)nc1NC(=O)NCc1ccc(N(C)C)cc1C	752805720	SMTAOMNQFAPNPM-UHFFFAOYSA-N	359.430	2.293	10	10	FECE	
COc1ccc(N2CCN(CCCN[C@@H]3CN(C4CC4)C[C@H]3C)CC2)cc1	764682813	HVVLGXVTEDUICC-XMSQKQJNSA-N	372.557	2.280	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@H](O)[C@@H]2CCCO2)c1	862652558	BIFOIDLLPJYCIA-OALUTQOASA-N	356.422	2.176	10	10	FECE	
CC[C@@H](CO)N(Cc1ccccc1)C(=O)C(=O)N1Cc2cccc(O)c2C1	1118943344	SVBMYIHTQRNYMP-KRWDZBQOSA-N	368.433	2.034	10	10	FECE	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCCCC(N)=O)cc1	779617230	ARTMNYOQPZSXJW-GOSISDBHSA-N	361.486	2.306	10	10	FECE	
COC(=O)[C@H](NCc1cccc(OC)c1O)c1ccc(OC)cc1OC	779182137	SXCBNSXQECYSJQ-QGZVFWFLSA-N	361.394	2.422	10	10	FECE	
COC(=O)[C@@]1(OC)CCN(Cc2cc(Br)cc(F)c2O)C1	895392878	UKLQTFCOHZKBQS-CQSZACIVSA-N	362.195	2.058	10	10	FECE	
C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1cccc(O)c1O	2118175602	JHGHBQVGQDCAIE-BZPMIXESSA-N	362.426	2.425	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C(C)=C/c1ccncc1	1327095584	BJTAJMWYBCVUBK-ISBHARSQSA-N	370.405	2.187	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(C(=O)N3CC[C@H](N=[N+]=[N-])C3)(CCO1)C2	2124537623	ADKVROSBDJXHEP-CDEQTRAXSA-N	365.434	2.362	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C[C@H]2OCC[C@H]21	2124503159	IDFTWZSDDAKGLN-YIYPIFLZSA-N	365.434	2.312	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)c1nc(NC(=O)c2cccc(O)c2O)n[nH]1	2130118445	FGQFHYBYCBPISL-QMMMGPOBSA-N	363.374	2.054	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3C[C@@H]4CCCC[C@@H]43)C2)cc1	1353818369	QLHAHZCIYZGLMK-QGWWYQLQSA-N	371.481	2.085	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cnncc1O	1294685064	LVJDMBXDBIUROJ-UHFFFAOYSA-N	352.188	2.313	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@@H]2CCOC2)n1CC1(C)COC1	1298364305	YEJZFUXACGLRQX-OAHLLOKOSA-N	358.442	2.161	10	10	FECE	
C/C(=C\C(=O)N1CCOc2ncc(Br)cc21)c1cnccn1	1536689942	FDDHUPGOTSYALL-UXBLZVDNSA-N	361.199	2.463	10	10	FECE	
CC(C)(C)OC(=O)NCC[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(F)F	1556716397	KBCQLLSEBAHLBC-NSHDSACASA-N	374.384	2.305	10	10	FECE	
O=C(NCc1cccc(O)c1O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1	1637046622	VHRBPJDGLCVPPJ-UHFFFAOYSA-N	368.349	2.181	10	10	FECE	
NC(=O)Cc1ccc(CNC(=O)c2cc3cc(O)c(O)cc3s2)cc1	1638222899	OIDKSDSCMGJABQ-UHFFFAOYSA-N	356.403	2.270	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(O)cc3F)cc2)C1	1597002787	JRQKKFVXBAPXFZ-AWEZNQCLSA-N	371.412	2.163	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CC2)n1CCCN1CCOCC1	1767112067	OPTOQBUITIRUKM-UHFFFAOYSA-N	371.485	2.220	10	10	FECE	
CC[C@H]1CN2CCC[C@@H]2CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1	158996557	VGBFWYYIXPEPFQ-AZUAARDMSA-N	358.530	2.270	10	10	FECE	
O=C1CCCN1C[C@@H](O)CN1CCCc2cc(OC(F)(F)F)ccc21	157582981	FIOLBXCFRIAASL-ZDUSSCGKSA-N	358.360	2.321	10	10	FECE	
CS(=O)(=O)c1ccc2nc(NC(=O)Cc3ccc(N)cc3)sc2c1	1865957069	SWJFZPMPIGVHIE-UHFFFAOYSA-N	361.448	2.463	10	10	FECE	
COc1ccc(N2CCN(CCN[C@@H]3CCc4cccnc43)CC2)cc1	886515431	FPYBUPARNSZSEX-HXUWFJFHSA-N	352.482	2.489	10	10	FECE	
O=C(N[C@@H]1CC[C@H]1NC(=O)c1cccc(O)c1O)OCc1ccccc1	1982316712	FFNMRANKCDFURF-HUUCEWRRSA-N	356.378	2.285	10	10	FECE	
O=C(N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)c1cc(O)c(O)c(O)c1	2188867606	DDRLJHVGVUPNHW-HYVNUMGLSA-N	368.433	2.444	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1ccc(O)c(O)c1	2054397744	LNACTZOLAVEMAI-WCQYABFASA-N	350.415	2.331	10	10	FECE	
C[C@@H]1CCN1C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2080886835	JIIRCZQCVUULAQ-YPMHNXCESA-N	350.415	2.154	10	10	FECE	
C[C@@H](CN(C)C(=O)OC(C)(C)C)N(C)C[C@H](O)COc1ccc(N)cc1	2111822606	NKZXYVWCVMUFJM-HOCLYGCPSA-N	367.490	2.196	10	10	FECE	
CC(C)(C)OC(=O)NCCc1n[nH]cc1C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-]	2227024473	JBNATIBDDKSDAC-CHWSQXEVSA-N	363.422	2.438	10	10	FECE	
C[C@@H]1O[C@]2(C(=O)N3CC[C@H](N=[N+]=[N-])C3)C[C@@]1(NC(=O)OC(C)(C)C)C2	2254811177	MYAUXFLWBCVCSK-GREKMHCPSA-N	351.407	2.112	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2264503726	IYDUASQGADOEML-BFHYXJOUSA-N	367.450	2.296	10	10	FECE	
Cn1ncc(NCc2cc3c(cc2O)OCO3)c1I	2265294446	FQLBDJZDJQFWCO-UHFFFAOYSA-N	373.150	2.071	10	10	FECE	
COCCN1C(=O)C(=Cc2cc3c(cc2OC)OCO3)SC1=S	2297365560	QKYAXJXRUVEBOJ-UHFFFAOYSA-N	353.421	2.272	10	10	FECE	
CCOc1cccc(C=C2C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1	2297578603	JHOIRNDVLMGFIA-UHFFFAOYSA-N	352.346	2.457	10	10	FECE	
O=C(NCCC(=O)N1CCc2cc(O)c(O)cc2C1)OCc1ccccc1	2302396778	IZWJAJLUXMMBNT-UHFFFAOYSA-N	370.405	2.299	10	10	FECE	
CCN(Cc1ccccc1)C(=O)CNC(=O)C=Cc1ccc(O)c(O)c1	2307986768	ZXVSIWLKTFMMHR-UHFFFAOYSA-N	354.406	2.276	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COC[C@@]1(C)C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2312334258	QKXSWVBCGWSQIP-KZTGVZKYSA-N	353.423	2.264	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-])[C@H]1CCCO1	2312333949	HGOFDDRXUAMONV-YVECIDJPSA-N	353.423	2.406	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)C[C@@H]1COCC[C@@H]1NC(=O)OC(C)(C)C	2315987048	MNVDZNAWOZOQOU-OLZOCXBDSA-N	355.439	2.465	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)[C@H](C)OC)cc2F)CC1	188891584	ULJNZUHTEFONKX-GJZGRUSLSA-N	366.481	2.190	10	10	FECE	
Cc1cnc(CCN(C)C(=O)C(=O)NCc2ccc(N(C)C)cc2C)s1	807100367	LTVCAMOMJKABKC-UHFFFAOYSA-N	374.510	2.143	10	10	FECE	
NC(=O)[C@@H]1CCC[C@H](C(=O)NCc2cc(Br)ccc2O)C1	804735542	CVYOMJCBPGERMK-ZJUUUORDSA-N	355.232	2.063	10	10	FECE	
CC(C)(CCNC(=O)NCc1cc(Br)ccc1O)C(=O)O	818623006	HEDRILIEUMUPIE-UHFFFAOYSA-N	359.220	2.455	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3CCC[C@]4(CCNC4)C3)C2)cc1	818654693	CXGZDPCRUYTAEP-LAUBAEHRSA-N	372.513	2.307	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](c2nc(=NCc3ccccc3O)[nH][nH]2)C1	2128841129	IXHKFMOMTGMNGU-CYBMUJFWSA-N	359.430	2.269	10	10	FECE	
CC[C@@H]1[C@@H](CO)CCN1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	824681571	LZMUPADTYDEEKY-FRQCXROJSA-N	361.486	2.324	10	10	FECE	
Cn1cc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c(Cl)n1	837713807	GPCVHLFJYBVSQZ-UHFFFAOYSA-N	370.787	2.118	10	10	FECE	
COc1cc(Br)cc(CNC[C@@H]2CNCCC2(F)F)c1O	903955069	KABAPIMQUUVALH-JTQLQIEISA-N	365.218	2.498	10	10	FECE	
C[C@H](NC(=O)c1cnn(C2CC2)c1N)c1ccc(N2CCOCC2)cc1	906420532	SWHUBRIUYMSPDS-ZDUSSCGKSA-N	355.442	2.128	10	10	FECE	
Cc1cc(O)c(CNCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(Cl)c1	840903807	BMVLROKYFOCGPA-MWDDYTRKSA-N	360.841	2.251	10	10	FECE	
Cc1cc(CCNC(=O)NC[C@@](C)(O)CN(C)C)c(C)n1-c1ccccc1	752640965	KJCLVJAVTCQXRS-OAQYLSRUSA-N	372.513	2.248	10	10	FECE	
COc1ccc(N(Cc2cccs2)[C@@H]2CCN(CC(=O)O)C2=O)cc1	852725798	OZBNVEOUJXFIBK-MRXNPFEDSA-N	360.435	2.449	10	10	FECE	
NC(=O)CSc1ccccc1C(=O)N1CCS[C@H](C(F)(F)F)C1	928139462	ANPPDFAFVVUDMJ-NSHDSACASA-N	364.414	2.384	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@H](O[C@H](N)Cc2ccc(O)c(O)c2)C1	1952757590	AADHBPIDYNPPMN-CJNGLKHVSA-N	352.431	2.341	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H]3CCN(C)[C@H](C)C3)C2)cc1	854298764	BBMZINRSFJLSNO-SOLBZPMBSA-N	360.502	2.398	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]([C@H](N)Cc1ccc(O)c(O)c1)C(F)(F)F	1952963843	HWHUOAISIXDGDW-SKDRFNHKSA-N	350.337	2.423	10	10	FECE	
COC(=O)Cc1ccc(CNCc2ccc(N3CCN(C)CC3)cc2)cc1	862446284	BVPLBQZKWJZHAW-UHFFFAOYSA-N	367.493	2.444	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)NC[C@@H]3CCO[C@@H]3C(=O)O)c2C)cc1	864213166	OOFFNJGGIPIJPA-KSSFIOAISA-N	372.421	2.322	10	10	FECE	
Cn1nc2c(c1/C=C1/SC(=S)N(CCCC(=O)O)C1=O)CCCC2	864362681	IWDSBEIQPZAZEX-UKTHLTGXSA-N	365.480	2.365	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(N2CCCCC2)ncn1	867301563	ACFIWCZCPLQELD-ZDUSSCGKSA-N	356.426	2.239	10	10	FECE	
Cc1cc(C(=O)N2CCC(CCO)(CCO)CC2)c(C)n1-c1ccccn1	870542838	MXEGQDHAQTUAOP-UHFFFAOYSA-N	371.481	2.476	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CC[C@H](n3cncn3)C2)c1O	776779197	ZYCCNTGVHRALJB-AWEZNQCLSA-N	352.394	2.371	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N[C@H](CO)c1cccc(Br)c1	1152135966	JBAGKZKUMYXMCI-CYBMUJFWSA-N	366.211	2.253	10	10	FECE	
C[C@@H]1OCC[C@]1(O)Cn1c(C2CCC2)nnc1N(C)Cc1ccccc1O	1305249316	ZVZIDQNSRPVLIL-XOBRGWDASA-N	372.469	2.428	10	10	FECE	
Cn1nccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(CN=[N+]=[N-])CC1	2124517130	YHORUKIDRXXRBF-GFCCVEGCSA-N	363.422	2.193	10	10	FECE	
CCN[C@H](c1ccccc1O)[C@@H](O)[C@H]1COCCN1C(=O)OC(C)(C)C	2116193489	YSDDGZLNAFQRHJ-OIISXLGYSA-N	366.458	2.040	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1nc(C2CCOCC2)n[nH]1	1345705218	QXXCSYVNJAZJPD-UHFFFAOYSA-N	371.485	2.356	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@]1(C)CNC(=O)c1cc(O)c(O)c(O)c1	2132392648	KCWJPKKURLXTRP-SFHVURJKSA-N	366.414	2.323	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)c2cc(O)c(O)c(O)c2)C1	2132392682	KLOCARNOFICDHX-SFHVURJKSA-N	366.414	2.180	10	10	FECE	
Cc1ccc(C(=O)N[C@@H](C(=O)NCc2cccc(O)c2O)C(C)C)cc1	1521851716	QCQJCHCDTBHFPR-QGZVFWFLSA-N	356.422	2.477	10	10	FECE	
C[C@H]1C[C@@]1(C)NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136257505	ZUCYRYKZQRTNKQ-MJLGCCKJSA-N	364.442	2.448	10	10	FECE	
O=C(CSc1nnc(S)s1)NCc1ccc2cccnc2c1O	1557121956	DKFSPRPZWKUQIQ-UHFFFAOYSA-N	364.477	2.489	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(NCc3ccc(O)c(O)c3)(CO1)C2	1922656291	MIEDSVJXOQKGKJ-UHFFFAOYSA-N	350.415	2.014	10	10	FECE	
CC(C)[C@H](C(=O)NCc1ccc(O)cc1O)n1nnc(-c2ccccc2)n1	1630302277	WFKMHDYLFKDTIS-QGZVFWFLSA-N	367.409	2.265	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@]1(N(C)C)CCSC1	1742754030	GUKHBIGIQHXKIE-SFHVURJKSA-N	361.515	2.366	10	10	FECE	
CC(=O)CCC(C)(C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	1596994155	NIFCBAAPOGXCPE-QGZVFWFLSA-N	373.497	2.400	10	10	FECE	
CCCOc1cccc(/C=C2/SC(=S)N([C@H](CO)C(=O)O)C2=O)c1	1858595331	AGETWHXLCXGTDX-FMNNIJNLSA-N	367.448	2.122	10	10	FECE	
CN1CC(=O)N(C[C@@H]2CCN(c3ccc(OC(F)(F)F)cc3)C2)C1=O	360013065	FACLTICCHJWERD-LLVKDONJSA-N	357.332	2.306	10	10	FECE	
C[C@H](NC(=O)CN1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O	1877569149	YKMBBGOUVGMRNV-KBPBESRZSA-N	363.458	2.168	10	10	FECE	
CC(C)N(C[C@@H](O)CN1C(=O)c2ccccc2C1=O)c1ccc(CN)cc1	2025448537	QDPKKVYNAKDBQF-QGZVFWFLSA-N	367.449	2.017	10	10	FECE	
COc1ccc(O)c(CN[C@@H]2COC[C@H]2CNC(=O)OC(C)(C)C)c1	2036600001	RKYWQNPEBQCOGC-UKRRQHHQSA-N	352.431	2.030	10	10	FECE	
CC[C@H](CN(C)C(=O)COc1ccc(N)cc1)NC(=O)OC(C)(C)C	2053095752	HHFKWYVXXYIZTI-CQSZACIVSA-N	351.447	2.409	10	10	FECE	
CC(C)(C)OC(=O)N1CC([C@H](F)CNC(=O)c2cccc(O)c2O)C1	2054397952	ORHTWRDFRRGCLM-GFCCVEGCSA-N	354.378	2.033	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NCc3cccc(F)c3O)[C@H]2C1	2057954311	RUQMFUAJACVYFO-YUELXQCFSA-N	352.406	2.255	10	10	FECE	
CC[C@H](C)NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2059512729	IZLWVLZRURISJI-AAEUAGOBSA-N	352.431	2.448	10	10	FECE	
CC(C)(C)OC(=O)N[C@](C)(C(=O)N1CCC[C@@H](N=[N+]=[N-])C1)C(C)(C)O	2060639052	DNXAXVIYLBPCDS-BDJLRTHQSA-N	355.439	2.342	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)O1	2060633498	OKUILJNPXHNGOT-FRRDWIJNSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H](CC(=O)NCCCCN=[N+]=[N-])C1	2080209157	BLOYDPOWVYTJJT-ZDUSSCGKSA-N	355.439	2.467	10	10	FECE	
CN(C)C(=O)CN(Cc1ccccc1)c1cc2c(cc1Cl)[C@@H](O)C(=O)N2	2095921451	VYIBRCWNJSTQHY-GOSISDBHSA-N	373.840	2.420	10	10	FECE	
C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)Nc1ccc(N)cc1	2257557382	AIRUTUULINCGGD-LBPRGKRZSA-N	352.435	2.008	10	10	FECE	
COc1ccc(N(CCO)CCNC(=O)OC(C)(C)C)c(OC)c1C	2263597197	XWZWZVNBJLQOSX-UHFFFAOYSA-N	354.447	2.336	10	10	FECE	
CSc1ncc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)cn1	2297346597	ZGLYEZJSQITLRK-UHFFFAOYSA-N	354.391	2.173	10	10	FECE	
O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S	1909865	NFCFWBGPXXNSSR-RAJVOEEQSA-N	371.823	2.469	10	10	FECE	
CCC(=O)N[C@H](CCSC)C(=O)N(C)Cc1ccc(N(C)C)cc1	54128846	AVMAHYQLMLGSFS-MRXNPFEDSA-N	351.516	2.359	10	10	FECE	
CC(C)N1C[C@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1=O	117975119	GBVAUKUDFPMSOF-IAGOWNOFSA-N	360.454	2.157	10	10	FECE	
CN(C)c1ccc(/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc1	20356252	JIZMBVJUPZTAJI-PCKMFZADSA-N	368.466	2.425	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N2CCN(C)c3cc(F)ccc32)c1	174450551	ROITWUNCKIFYKD-ZZXKWVIFSA-N	354.385	2.077	10	10	FECE	
Cc1cccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)n1	124025071	IYVYKVFSKLURFL-UHFFFAOYSA-N	372.444	2.490	10	10	FECE	
COc1ccc(O)c([C@H](C)NCCS(=O)(=O)c2cccc(C#N)c2)c1	182358053	IIRVFIKHLAJEGU-ZDUSSCGKSA-N	360.435	2.397	10	10	FECE	
Cc1cccc(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)c1O	183493046	WEBKZSWZNJABCY-UHFFFAOYSA-N	364.442	2.346	10	10	FECE	
COc1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2)cc1OC	41379873	ZACSDRPUEIFYMN-UHFFFAOYSA-N	368.480	2.276	10	10	FECE	
NCc1ccc(N2CC[C@H](S(=O)(=O)C(F)F)C2)cc1Br	2368712257	IQVXMUQCBSRDNC-JTQLQIEISA-N	369.231	2.124	10	10	FECE	
COc1ccc(CNC(=O)N[C@H]2CCN(c3ccccc3)C2=O)c(O)c1	369073860	DTXYXZZRSNGCFZ-INIZCTEOSA-N	355.394	2.006	10	10	FECE	
O=C(CN1CCC[C@H]1C1CC1)NCc1ccc(N2CCOCC2)c(F)c1	363384125	GIKRSVTVGRUTLV-SFHVURJKSA-N	361.461	2.153	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCOC[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])c1	376259128	BCPFTLBRMBPODU-SLLSNFPASA-N	362.382	2.165	10	10	FECE	
COc1ccc(N2CCN(S(=O)(=O)C[C@H](CC(C)C)OC)CC2)cc1	817127849	HGONGHJNPBNVJS-SFHVURJKSA-N	370.515	2.208	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@@H]4CNC[C@@H]4CC3)C2)cc1	818654923	GRUJNFSXYPPZOE-KURKYZTESA-N	372.513	2.163	10	10	FECE	
CCN1CC[C@H]2OCCN(Cc3ccc(Br)cc3O)[C@H]2C1	826011838	JJNCNOQDZDEVJF-GOEBONIOSA-N	355.276	2.450	10	10	FECE	
COc1ccc(N2CCCN(C(=O)[C@H](O)c3ccccc3OC)CC2)cc1	900293957	APBMRSVNPNOFBS-HXUWFJFHSA-N	370.449	2.476	10	10	FECE	
CN(C)c1ccc(/C=C/CNC[C@@H]2CCC[C@H]2NS(C)(=O)=O)cc1	835044771	OYMLCTHYVZTDSL-OZZQIWQLSA-N	351.516	2.073	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C(=O)NCc3ccc(O)cc3O)[C@@H]2C1	910956001	IUUXBORHCZPIBQ-LZWOXQAQSA-N	362.426	2.217	10	10	FECE	
Cc1cc(CS(=O)(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)no1	841569619	MJHOZZCQPPPLRT-CYBMUJFWSA-N	351.472	2.408	10	10	FECE	
COc1cc(Br)cc([C@H](C)N[C@@H]2CCCCNC2=O)c1O	848518459	LSWBBBGZPQRWHU-JOYOIKCWSA-N	357.248	2.483	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)cc1	926642120	GXQDJMVKNMBEEH-QRQLOZEOSA-N	361.486	2.478	10	10	FECE	
CCOc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)nc1C	850339494	OEMGGWLOGGNKRV-UHFFFAOYSA-N	356.426	2.110	10	10	FECE	
CC[C@@]1(CO)CCCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	854298333	ASLLTIAVMNHNFD-OXJNMPFZSA-N	361.486	2.468	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc4nnc(S)n4c3)C2)cc1	855223820	IAVJULKGLGOQLZ-CYBMUJFWSA-N	369.450	2.035	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CCc2cc(N)ccc21	851686009	YLJTXCSFCYZZEA-IBGZPJMESA-N	366.465	2.063	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)COc3ccccc3C=O)C2)cc1	855229617	KPDMIGVKPHARRR-MRXNPFEDSA-N	354.406	2.282	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3CO[C@@H](C4CC4)C3)C2)cc1	858552901	XBYHXNYBNIMAAY-IDHHARJASA-N	359.470	2.388	10	10	FECE	
O=C(O)C[C@@H](CNC(=O)OCc1ccccc1)c1ccc(O)c(O)c1O	1951478455	RAWAROQBRYTREW-LBPRGKRZSA-N	361.350	2.288	10	10	FECE	
CCOC(=O)CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCC1	767875326	KPFQSDJKPIUFGW-UHFFFAOYSA-N	361.486	2.129	10	10	FECE	
Cc1cc(CCN2C(=O)N[C@]3(CCOC3)C2=O)c(C)n1-c1ccccc1	760969562	LFBWXRUNXOZEQJ-FQEVSTJZSA-N	353.422	2.348	10	10	FECE	
O=C(C1CN(CC(F)(F)F)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	776345970	MLMSTAXWRPYYGS-HNNXBMFYSA-N	372.387	2.394	10	10	FECE	
CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)/C=C/c1ccc(C)nc1)CC2	777866207	QAPTVHSCKZTMLG-RMKNXTFCSA-N	371.462	2.291	10	10	FECE	
COC(=O)CCCOC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O	783096430	PNNJDVAFEVRLDM-UHFFFAOYSA-N	367.357	2.154	10	10	FECE	
Cc1cc(CCNC(=O)N(C[C@@H](C)O)[C@@H](C)CO)c(C)n1-c1ccccc1	785862185	ODDQICPAUJVZTG-DLBZAZTESA-N	373.497	2.410	10	10	FECE	
CCN(CC)c1ccc(CNc2ccc(C(=O)NCC(N)=O)cc2)cc1	787793796	FWJLHDREXSUFQQ-UHFFFAOYSA-N	354.454	2.360	10	10	FECE	
COC(=O)[C@H](NCCCN=[N+]=[N-])c1snc(OC)c1Br	690068357	SGGPMUIRIPIPCD-SSDOTTSWSA-N	364.225	2.418	10	10	FECE	
CC1(C)CC(=O)c2cc(C(=O)NCc3cc(O)ccc3O)c(O)nc2C1	1303223222	GITPPGXEMOIPDQ-UHFFFAOYSA-N	356.378	2.284	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1c[nH]nc1-c1ccc2c(c1)OCO2	1162279155	SLQOHJOBEGZDJK-UHFFFAOYSA-N	353.334	2.147	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1	1178912604	VBTULCSEYRCIQA-INIZCTEOSA-N	368.433	2.195	10	10	FECE	
O=C(c1cccnc1)N1CCC(C(=O)N2Cc3cccc(O)c3C2)CC1	1332202859	PRQHFIBTZSQVTN-UHFFFAOYSA-N	351.406	2.182	10	10	FECE	
Cc1cn2nc(C(=O)N[C@@H](C)Cc3ccc(N(C)C)cc3C)cc2c(=O)[nH]1	1347184605	ZPZXWSBOXNOTEJ-ZDUSSCGKSA-N	367.453	2.066	10	10	FECE	
CCc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1C[C@H](C)OC	1513790760	UWCSSJNNPXZBMF-INIZCTEOSA-N	373.501	2.348	10	10	FECE	
NC(=O)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1N1CCCCC1	1627849848	SAGPZLSIJOGOEN-UHFFFAOYSA-N	369.421	2.368	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1	1558175595	WYVMFXCLELPTAR-LLVKDONJSA-N	362.332	2.045	10	10	FECE	
CN(C)c1ccc(CNC(=O)[C@@H](O)C(C)(C)NC(=O)OC(C)(C)C)cc1	2136183855	PRDJOQKSXLYEEC-OAHLLOKOSA-N	365.474	2.033	10	10	FECE	
C[C@@H](NCCN1CCC(N(C)C)CC1)c1ccc(N2CCOCC2)cc1	160151123	QGHVMOAKDJTWMV-GOSISDBHSA-N	360.546	2.200	10	10	FECE	
CN(C)c1ccc(/C=C(/C(=O)NC[C@H]2CCCO2)n2ccccc2=O)cc1	6351330	PECUVURELXHIHY-GXYBQNOFSA-N	367.449	2.208	10	10	FECE	
COc1cc(=O)n(C)cc1C(=O)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	1890013251	YMVPYLAODBWMEJ-RDJZCZTQSA-N	367.449	2.313	10	10	FECE	
CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1cccc(O)c1O	1971249201	BDEXCKWICAJNGL-LBPRGKRZSA-N	350.415	2.427	10	10	FECE	
CN(C[C@@H]1CCCCS1(=O)=O)c1ccc(CO)cc1Br	694072317	QLVPBRIQZPXUFY-LBPRGKRZSA-N	362.289	2.345	10	10	FECE	
Nc1ccc(CS(=O)(=O)NCc2cnc(Br)s2)cc1	718171153	ZOQCBKRFMBJBMQ-UHFFFAOYSA-N	362.274	2.107	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@]2(C(=O)C(=O)C[C@H]3C[C@H](N)C3)CCC[C@@H]12	2049786424	MCHOPFMANBVLMX-DZDCQFRTSA-N	350.459	2.432	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(=O)N2CCC(N=[N+]=[N-])CC2)CO1	2060611522	VESNQSMBXBLFRV-YPMHNXCESA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(CNC(=O)COc2ccc(N)cc2)C1	2106267551	BGEGUMHSVPADPT-ORAYPTAESA-N	361.442	2.021	10	10	FECE	
CN[C@@H]1C(=O)Nc2cc(N(CCC(N)=O)Cc3ccccc3)c(Cl)cc21	2095890493	PGJAGIWKQJELKQ-SFHVURJKSA-N	372.856	2.435	10	10	FECE	
CCCS(=O)(=O)C[C@@H](C)NCc1cccc(Br)c1O	2114180767	RQYQNZWYQOFSLP-SNVBAGLBSA-N	350.278	2.458	10	10	FECE	
COc1ccc(N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c(CO)c1	2227709176	QSUYXALFYANOAE-NRFANRHFSA-N	356.466	2.261	10	10	FECE	
Cc1cc(O)cc(C)c1NS(=O)(=O)c1nn(C)cc1Br	2239723199	ZQBZAVRBQHQGBM-UHFFFAOYSA-N	360.233	2.306	10	10	FECE	
CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)N3CCC[C@@H](N=[N+]=[N-])C3)(C1)C2	2254796586	NTTCXVKLTPJZBG-HFBAOOFYSA-N	351.407	2.114	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](Nc2c(N)cccc2C(N)=O)C(F)(F)C1	2264442005	KHCPEQQPIURFTG-GFCCVEGCSA-N	370.400	2.424	10	10	FECE	
COc1ccc(C=C2SC(=S)N(CCC(=O)O)C2=O)cc1OC	2293034705	IBDHCVUFAXGTLT-UHFFFAOYSA-N	353.421	2.380	10	10	FECE	
COc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(O)c3)C2=O)c1	2297327150	KSDQGIUHKZNNLB-UHFFFAOYSA-N	368.345	2.076	10	10	FECE	
CC(C)c1nnc(C=CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)o1	2307277220	NWSOYWMRJHRYEL-UHFFFAOYSA-N	374.416	2.498	10	10	FECE	
COc1cc(C=C2C(=O)NC(=O)N(C)C2=O)ccc1OCc1ccccc1	2313548800	GBWROZQRGFPMDS-UHFFFAOYSA-N	366.373	2.366	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnc(SC)nc3C)CC2)cc1	6900287	ZOEOLRMYVCICLS-UHFFFAOYSA-N	358.467	2.478	10	10	FECE	
CC[C@@H](C)N1C(=O)/C(=C\Nc2cccc(C(=O)OC)c2)C(=O)N=C1S	102505208	XSYFVDLKXFOQGV-PEHNMLCRSA-N	361.423	2.222	10	10	FECE	
CCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C)C1=O	33450319	YWMMSOKUNQWPAU-FLIBITNWSA-N	360.464	2.266	10	10	FECE	
C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)C(=O)N1CCCCC1	77575441	FHWCZCYAJNQIOG-HNNXBMFYSA-N	358.486	2.269	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC[C@@H]2C(=O)NC2CC2)c([N+](=O)[O-])c1	264883585	DFLGATOYBYJAQH-HMZQOCAUSA-N	359.382	2.028	10	10	FECE	
C1=C(c2c[nH]c3ncccc23)CCN(c2ccnc(N3CCOCC3)n2)C1	542764391	UZYMSTWBEKIKTG-UHFFFAOYSA-N	362.437	2.483	10	10	FECE	
COC[C@@H](O)CNCc1cc(Br)cc(Br)c1O	802659977	SWUYGMUHFLIWPT-VIFPVBQESA-N	369.053	2.014	10	10	FECE	
Cc1c(CNc2ccc(C(=O)NCC(N)=O)cc2)n(C)c2ccccc12	489988164	KMNOGVWFBBQIDI-UHFFFAOYSA-N	350.422	2.314	10	10	FECE	
CNC(=O)CCN(C)CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C	728928206	PWTWIMRPLWOMCP-UHFFFAOYSA-N	371.437	2.073	10	10	FECE	
Cc1cc(O)c(CN[C@@H]2CCCN(Cc3nccn3C)C2=O)cc1Cl	825484185	IKQJATDEQLGIPS-OAHLLOKOSA-N	362.861	2.368	10	10	FECE	
C/C=C/[C@@H](O)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	900250258	WEJNLTHZYCMNFW-XYBNCVKDSA-N	358.360	2.095	10	10	FECE	
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	906418818	AYCYZVHKOWDIEY-JCGIZDLHSA-N	360.454	2.290	10	10	FECE	
COc1ccc(N2CCN(CN3C(=O)[C@@H](C4CC4)[C@@H]3C3CC3)CC2)cc1	839947337	DOEXHHNBIBDCAN-PMACEKPBSA-N	355.482	2.422	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCCC[C@@H]2CNS(C)(=O)=O)cc1	835026192	RWXDMHSGCVEFPI-HPFMTEOYSA-N	351.516	2.170	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CCN(C(=O)N(C)C)CC2)c1O	915207291	QUWHZXMJSOBLDT-UHFFFAOYSA-N	371.437	2.131	10	10	FECE	
C[C@H](NC[C@@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(F)cc1O	842882489	GYIZNQYONJEGDN-WCQYABFASA-N	351.399	2.417	10	10	FECE	
CCn1cncc1S(=O)(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	841568662	FGUHHTQHTRSZHB-AWEZNQCLSA-N	350.488	2.187	10	10	FECE	
COc1ccc(N2CC[C@H](CN3C(=O)N4CCC[C@@H]5C[C@@]54C3=O)C2)cc1	924948916	INNMPTQTORZINH-MDOVXXIYSA-N	355.438	2.338	10	10	FECE	
CC1(C)C[C@@H](S(=O)(=O)NCc2cc(Br)ccc2O)CO1	859158061	YZYRHWDYYTYBOQ-LLVKDONJSA-N	364.261	2.142	10	10	FECE	
CCNC(=O)C1CN(C(=O)c2ccccc2-n2c(C)cc(C=O)c2C)C1	859889980	HDYDQLDZEPQBAR-UHFFFAOYSA-N	353.422	2.115	10	10	FECE	
COC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)c1cc(C)n(-c2ccccn2)c1C	924868342	PTINOQCJXYPQGU-RDJZCZTQSA-N	371.437	2.330	10	10	FECE	
COc1ccc(NC(C)=O)c(NS(=O)(=O)c2cc(F)cc(F)c2O)c1	753015599	OGXFVHDNMLZWMZ-UHFFFAOYSA-N	372.349	2.438	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC(C)(C)[C@@H]4COC[C@@H]43)C2)cc1	852447818	DWOWMDUZTLRUGR-OLMNPRSZSA-N	359.470	2.340	10	10	FECE	
Cc1cc(CN(C)CCN2CCCS2(=O)=O)c(O)c(C(C)(C)C)c1	751934479	OPSCSXFOZDTKBX-UHFFFAOYSA-N	354.516	2.465	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CN(C4CC4)C[C@@H]3C)C2)cc1	852199736	CJHWTGINFUYXMC-YZVOILCLSA-N	358.486	2.056	10	10	FECE	
CC1(c2ccc(S(=O)(=O)N3Cc4cccc(O)c4C3)cc2)OCCO1	867690948	OPBCIJCWNLEMEW-UHFFFAOYSA-N	361.419	2.316	10	10	FECE	
CCN(CC)c1ccc(CN2CCN(CCC(=O)N(C)C)CC2)cc1F	769505961	LQNMJVMTUVRRMY-UHFFFAOYSA-N	364.509	2.268	10	10	FECE	
C[C@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccncc1	864954207	MRFFBJKJKYDCCX-MAUKXSAKSA-N	366.465	2.203	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNc3ccc([C@H](C)O)cn3)cc2)CC1	865715416	RNZIZJJREQWJIB-HNNXBMFYSA-N	354.454	2.416	10	10	FECE	
O=C1CN(C(=O)/C=C\c2cnccn2)c2ccc(Br)cc2N1	761797022	RFUFHPUYWQNDDY-RQOWECAXSA-N	359.183	2.238	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@H](C1CC1)[C@H]1CCCOC1)c1ccc(N(C)C)cc1	1119756371	JVXZMUHFKBCYNT-UCLAIMLFSA-N	373.497	2.251	10	10	FECE	
CC(C)c1n[nH]cc1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	770259171	KPZQPHIWORBZEQ-OAHLLOKOSA-N	369.469	2.165	10	10	FECE	
C[C@H](NC(=O)C(=O)NCC[C@H]1CC(C)(C)CO1)c1ccc(N(C)C)cc1	897865790	MAJGIBMIHTWHIV-YOEHRIQHSA-N	361.486	2.251	10	10	FECE	
COC(=O)CCN(CC(=O)OC(C)(C)C)Cc1ccc(N(C)C)cc1	1308031648	NMSCOEJRSRXJDD-UHFFFAOYSA-N	350.459	2.459	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCCN(C(=O)c2ccccc2F)CC1	1442281877	DMGUMNPFBXHFCO-UHFFFAOYSA-N	372.396	2.154	10	10	FECE	
CCC(C)(C)[C@@H](O)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1	1454463899	BCFYJZCVJWHXHU-KRWDZBQOSA-N	350.459	2.150	10	10	FECE	
CCc1noc(COCC(=O)N(C)Cc2ccc(N3CCCC3)cc2)n1	1531706379	SAJYBSFKBAYKSH-UHFFFAOYSA-N	358.442	2.407	10	10	FECE	
[N-]=[N+]=NC1CN(CC(=O)Nc2cccc(I)c2)C1	1912192399	FTOFQDSJDUVBNF-UHFFFAOYSA-N	357.155	2.224	10	10	FECE	
COc1cc(OC)c2c(=O)c(C(=O)NCc3ccccc3O)c[nH]c2c1	1630363041	GLYXOPSQFFKKCC-UHFFFAOYSA-N	354.362	2.181	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOCC[C@@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2124539581	XHOIGFFPASWXAL-HZSPNIEDSA-N	367.450	2.465	10	10	FECE	
CCN(CC)c1ccc(Cn2c(C)nnc2N2C[C@H](OC)[C@H](OC)C2)cc1	1746089580	QXYIMYNHEXTOMZ-KDURUIRLSA-N	373.501	2.331	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@](F)(CNCc2ccc(O)c(O)c2)C1	2126039431	JBYCOJQTFFIALN-GOSISDBHSA-N	370.421	2.163	10	10	FECE	
CC(C)(C)OC(=O)NCCCOCCNC(=O)NCc1ccccc1O	1684439232	PNLVXNDFZYPCLR-UHFFFAOYSA-N	367.446	2.123	10	10	FECE	
CCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cn1	155799118	ZDAXBUARPWEYPN-UHFFFAOYSA-N	366.421	2.111	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CNC(=O)COc1ccc(N)cc1)C1CCC1	2137697226	WCDUJHDEAOFCLE-MRXNPFEDSA-N	363.458	2.457	10	10	FECE	
C[C@]1(c2cc(Br)cc(Br)c2O)COCC(=O)N1	1951668309	VRTPGUARBNIMIJ-LLVKDONJSA-N	365.021	2.279	10	10	FECE	
O=S1(=O)CCC[C@H]2CN(Cc3ccc(Br)cc3O)C[C@H]21	2145070695	DBBPPRMIMFPHNY-SMDDNHRTSA-N	360.273	2.164	10	10	FECE	
CN[C@@H]1C(=O)Nc2cc(N3CC4(CSC4)C3)c(Br)cc21	2146378962	IWQRRYOYEPYHRW-LBPRGKRZSA-N	354.273	2.215	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NCc2cc(N)ccc2O)C1	1999477008	FQNHLJIVRAJBTR-OZAJXLCCSA-N	355.460	2.239	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NCc2ccc(O)c(O)c2)CCO1	2036666045	GFGRWNLMMLZJMG-UONOGXRCSA-N	352.431	2.260	10	10	FECE	
CN[C@H](C)c1ccc(N2CCS(=O)(=O)C[C@H]2C)cc1Br	300517287	PQOJBGXZRNDCRO-GHMZBOCLSA-N	361.305	2.353	10	10	FECE	
Nc1ccc(-n2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)n2)cc1	311814581	SKTQOFLHEPZQMV-UHFFFAOYSA-N	361.449	2.413	10	10	FECE	
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cccc(O)c1O	790942560	IVPPHUOZOKUTEB-YPMHNXCESA-N	350.415	2.473	10	10	FECE	
COc1cccc(O)c1CN[C@@H]1COCC[C@@H]1NC(=O)OC(C)(C)C	2042579103	JDACHVAYEWTHGM-UONOGXRCSA-N	352.431	2.173	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@@H](N=[N+]=[N-])C1)[C@@H]1CCOC1	2060621206	LBMVRONCMUVIDP-UPJWGTAASA-N	353.423	2.218	10	10	FECE	
Cc1ccc(CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2CO)c(O)c1	2084071467	FDNSSEKUVKDGQP-HOTGVXAUSA-N	350.459	2.408	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC(C)(CNC(=O)OC(C)(C)C)C1	2106766399	PNGGUMFCSDENPJ-ZDUSSCGKSA-N	362.474	2.442	10	10	FECE	
C[C@H]1CN(C(=O)COc2ccc(N)cc2)CC[C@@H]1NC(=O)OC(C)(C)C	2106769065	VIYQLVZAPJYRNX-BBRMVZONSA-N	363.458	2.409	10	10	FECE	
Cc1cc(O)cc(C)c1NS(=O)(=O)c1cc(Br)nn1C	2239722886	VWPODFOGWVVRPM-UHFFFAOYSA-N	360.233	2.306	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@]2(C(=O)N3CCC[C@@H]3CN=[N+]=[N-])CO[C@H]1C2	2266115692	WJPHOVMYJRVIAD-XREXNNHRSA-N	365.434	2.360	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCOCCN1C(=O)OC(C)(C)C	2269778466	BWESFKBBPZABLG-HNNXBMFYSA-N	364.442	2.377	10	10	FECE	
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)cc1	2297314354	CXXOMHAKBZXEKQ-UHFFFAOYSA-N	365.389	2.428	10	10	FECE	
Cc1nccn1C[C@H](C)CNC(=O)C=Cc1ccc(N2CCOCC2)cc1	2297505857	DQXQBPSQAMSOIW-QGZVFWFLSA-N	368.481	2.494	10	10	FECE	
CCc1nc2n(n1)C[C@@H](NC(=O)N(CC)Cc1ccc(N(C)C)cc1)CC2	114978373	KKRYRZXHBXDPLW-INIZCTEOSA-N	370.501	2.453	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)CC2)cc1	35507905	YAVHPLHCAREAFI-UHFFFAOYSA-N	363.421	2.443	10	10	FECE	
Oc1ccc(Br)cc1CN1CCO[C@@H](Cn2cccn2)C1	122145236	RZBKIXSCVOLAGZ-CQSZACIVSA-N	352.232	2.252	10	10	FECE	
COc1ccc(N2CCN(C(=O)C3(C(=O)NCCC(C)C)CC3)CC2)cc1	244021224	SPCIBMWWGNWFRA-UHFFFAOYSA-N	373.497	2.286	10	10	FECE	
C[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1ccc(N2CCOCC2)c(F)c1	378406290	UTPSJWRAWRZQON-QHHYFVSCSA-N	361.461	2.322	10	10	FECE	
C[C@@H](NC(=O)C(=O)N[C@H](C)C1CCCC1)c1ccc(N2CCOCC2)cc1	803297929	KFLAJBLJPBBSRH-HZPDHXFCSA-N	373.497	2.395	10	10	FECE	
COC[C@@H](C(N)=O)N(C)C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C	817939806	HVBJVWHJIYIWOW-INIZCTEOSA-N	363.845	2.320	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2cn(C)c(=O)n(C)c2=O)c1	819986060	WSQYVWLIVPAWOA-UHFFFAOYSA-N	366.421	2.052	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2CC23CCSCC3)cc1	817274967	VEMUZVZMWQVNRA-HNNXBMFYSA-N	361.511	2.018	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Nc3cc(C)nnc3N(C)C)C2)cc1	824522161	MDDUXIHYBIIWBA-AWEZNQCLSA-N	370.457	2.260	10	10	FECE	
COc1cccc(N2C[C@@H](NCc3cc([N+](=O)[O-])ccc3O)CC2=O)c1	725852985	MFSASAKDILLRTM-ZDUSSCGKSA-N	357.366	2.204	10	10	FECE	
Cc1cc(C(=O)N2CC[C@@](O)(C(=O)O)C2)c(C)n1-c1ccc(Cl)cc1	910531680	TYLRPTKKKKSOCG-SFHVURJKSA-N	362.813	2.409	10	10	FECE	
O=S1(=O)C[C@@H](CNCc2cccc(Cl)c2O)Oc2ccccc21	843418503	URPMEZOHGGMSTC-GFCCVEGCSA-N	353.827	2.370	10	10	FECE	
COc1cc(Br)cc([C@H](C)NCC[C@@H]2CNC(=O)C2)c1O	926975903	BHFFHSOUICCZDV-UWVGGRQHSA-N	357.248	2.340	10	10	FECE	
O=C1N[C@H](CC2CCOCC2)C(=O)N1CCCSc1nccs1	924639127	CKOQUEAYHQBDQU-GFCCVEGCSA-N	355.485	2.362	10	10	FECE	
COC(=O)CC(C)(C)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	925187494	MRICQNKRDULHCZ-UHFFFAOYSA-N	368.817	2.399	10	10	FECE	
CCN(CC)c1ccc(CN2C(=O)N[C@@H]([C@H](O)c3ccncc3)C2=O)cc1	924486218	DSHDXWVTOFJSRH-ZWKOTPCHSA-N	368.437	2.082	10	10	FECE	
COC1CCN(c2ccc(CN3CC[C@H](N(C)C(=O)N(C)C)C3)cc2)CC1	852652864	GDTSNXXKAQJUFJ-IBGZPJMESA-N	374.529	2.490	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3CCN(CC4CC4)C3)C2)cc1	852126990	KDLFBQFTTGEXID-DLBZAZTESA-N	358.486	2.057	10	10	FECE	
Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)c(C)n1-c1ccn(C)n1	857158172	GZHRPZUNXRIPNS-UHFFFAOYSA-N	354.410	2.211	10	10	FECE	
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(F)cc(F)c1O	753018757	OLQAKCAWTMLNBL-UHFFFAOYSA-N	360.294	2.388	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2cc(C3CCNCC3)no2)cc1	852835539	PFFZUCAQUQOMQV-UHFFFAOYSA-N	372.469	2.359	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cnn(-c4ccccc4)n3)C2)cc1	855230916	ZYHSWFAVPHNOBQ-HNNXBMFYSA-N	363.421	2.285	10	10	FECE	
Cc1ccc(O)c(CNC(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1	858390992	TZMLEZDBZYVQPV-QGZVFWFLSA-N	371.412	2.440	10	10	FECE	
CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)c1c(F)ccc(O)c1O)C2	857333195	OXVWJUQPDWLBQM-UHFFFAOYSA-N	366.389	2.366	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(OC)cnc1F	861820440	WCUDKXOOGMCOMJ-UHFFFAOYSA-N	361.373	2.312	10	10	FECE	
COC[C@@](C)(CCO)NC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1	1118911740	IZNSEIZUIAKVCD-OAQYLSRUSA-N	372.465	2.353	10	10	FECE	
Cc1c(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cccc1N(C)C	775986370	FVXGPZKGYZOKQW-UHFFFAOYSA-N	363.439	2.390	10	10	FECE	
CC(=O)CCC(C)(C)C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1	787319705	OZVZXGRFPYFHJA-UHFFFAOYSA-N	373.497	2.367	10	10	FECE	
COC(=O)[C@@]12CCOC[C@@H]1CN(Cc1cc(Cl)cc(C(C)=O)c1O)C2	796520029	LBUGATUTAWROAI-SCLBCKFNSA-N	367.829	2.260	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccn(-c4ccncc4)n3)C2)cc1	1334739630	HWSRPCZFDTYSQU-OAHLLOKOSA-N	363.421	2.285	10	10	FECE	
COC(=O)CC(C)(C)CNC(=O)N(C)CCN(C)c1ccc(OC)cc1	1255474575	JSRCIBXCIFSNBO-UHFFFAOYSA-N	365.474	2.362	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1	1295792418	PEDQXABBSGWEEG-JSGCOSHPSA-N	364.442	2.402	10	10	FECE	
COc1ccc(CNC/C=C\CNC(=O)[C@@H]2C[C@H]2c2cncn2C)cc1C	1483064145	ZDIRYPTUUOGHAC-IFOCYFHOSA-N	368.481	2.303	10	10	FECE	
Cn1cc([C@@H](NC(=O)Cc2ccc(O)c(O)c2)c2ccc(F)cc2)cn1	1634484391	UPHFCIVMXRRUMV-IBGZPJMESA-N	355.369	2.419	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)c1ccc2c(c1[N+](=O)[O-])OCCCO2	1636022699	PFZWYBVWLMCREQ-UHFFFAOYSA-N	374.349	2.140	10	10	FECE	
C[C@@H]1C[C@H](CNCc2ccc(Br)cc2O)CCS1(=O)=O	1966091385	VBUSRQKYWKJKOR-GHMZBOCLSA-N	362.289	2.458	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CSCN2)N2CCCCC2)cc1	1866108821	NSBQBMZMZOJPQG-QZTJIDSGSA-N	362.543	2.058	10	10	FECE	
CN(C)c1ccc([C@H](NC(=O)CC[C@H]2CCCN2)c2nccn2C)cc1	1866260139	GSHAQWKXAGSAGU-APWZRJJASA-N	355.486	2.224	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(NCc3ccc(O)cc3O)(CO1)C2	1922654819	CYOSTWGTEOUGRW-UHFFFAOYSA-N	350.415	2.014	10	10	FECE	
CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)N(C)C	2040444691	PGHUCUPETQLVNY-UHFFFAOYSA-N	366.464	2.041	10	10	FECE	
O=C(N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21)c1cc(O)c(O)c(O)c1	2188867605	DDRLJHVGVUPNHW-DJIMGWMZSA-N	368.433	2.444	10	10	FECE	
COC[C@@](O)(CNC(=O)OC(C)(C)C)c1ccc2c(c1)CCCN2C	2044729485	HQNYYYWMTFDFTR-IBGZPJMESA-N	350.459	2.428	10	10	FECE	
COC[C@@H](CC(=O)N1CCC[C@@H](CN=[N+]=[N-])C1)NC(=O)OC(C)(C)C	2060617894	SJSSOLLOQOXGHV-QWHCGFSZSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2073949848	KRKGLQMMDBWFKU-XQQFMLRXSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(CC(=O)C(=O)C[C@H]2C[C@H](N)C2)C1	2086349840	HCPQFBXEEJAIJL-QGDIXAPHSA-N	350.459	2.289	10	10	FECE	
CN1CCc2cc([C@@H](O)c3cnn(C)c3I)ccc21	2106804495	CBIDAVTYCIKXMB-CYBMUJFWSA-N	369.206	2.099	10	10	FECE	
O=S1(=O)C[C@H]2CCC[C@]2(NCc2c(O)cccc2Br)C1	2201871987	KFBLRVITYPXBIO-YGRLFVJLSA-N	360.273	2.212	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](O)(CCNCc2c(O)cccc2F)C1	2208898150	AZMHTOUTARJIBW-GOSISDBHSA-N	354.422	2.383	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@]1(C)C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-]	2218737657	JMNMBAGPCPIZID-XHBSWPGZSA-N	353.423	2.360	10	10	FECE	
CN(C)c1ccc([C@@H](O)[C@]2(C(=O)O)C=CCN2C(=O)OC(C)(C)C)cc1	2228868628	OMOAVEULBSAPMX-BEFAXECRSA-N	362.426	2.416	10	10	FECE	
CN(C(=O)CN1C[C@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1)c1ccc(N)cc1	2288269254	ZVYCTOBJFCVLEH-JLTOFOAXSA-N	374.485	2.078	10	10	FECE	
Cc1ccc(CNS(=O)(=O)c2ccns2)c(O)c1Br	2352954269	XVADJSLTZNXXPU-UHFFFAOYSA-N	363.258	2.398	10	10	FECE	
C[C@@H]1CCCN(CCNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1	108777031	WSEGHDHTANGVBJ-AHKGRUIUSA-N	357.498	2.385	10	10	FECE	
C[C@@H](O)CN1CCC(CN(C)Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	179515974	NTLUDPYHUCCDBX-GFCCVEGCSA-N	371.865	2.478	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)CN2C[C@@H](C)O[C@@H](C(N)=O)C2)c1C	122263228	FEWCDEAOFGOGHD-FOIQADDNSA-N	369.465	2.160	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCCC[C@H]1c1nc[nH]n1	121816642	FEGXWTLZSIIGKC-KRWDZBQOSA-N	356.474	2.056	10	10	FECE	
C[C@@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1n1ccnc1	246881342	BBWRLTIYLFTLSH-VQIMIIECSA-N	355.486	2.148	10	10	FECE	
C[C@@H]1COCC[C@@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	277630755	XVFNIOIELFJEHN-DYVFJYSZSA-N	365.449	2.011	10	10	FECE	
Cc1ccc(CN(C)C(=O)CC(F)(F)CN)c(O)c1Br	2381134372	BJGKAGSSJRMJGY-UHFFFAOYSA-N	351.191	2.406	10	10	FECE	
O=C(Cc1cncnc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	290890789	QPKPASVRQXOTFL-AWEZNQCLSA-N	362.380	2.406	10	10	FECE	
CN1CCc2cc([C@H](O)Cn3cc(CNC(=O)OC(C)(C)C)nn3)ccc21	2163064371	UIMAZLGQADGXIU-QGZVFWFLSA-N	373.457	2.029	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)NCc1ccc(N(C)C)cc1C)C2	824338694	YWCUYMYVCAOHEQ-QGTPRVQTSA-N	374.485	2.480	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NC1CCN(Cc2ccncc2)CC1	588405915	CKNWNFHTDOTJRV-RQOWECAXSA-N	353.422	2.287	10	10	FECE	
C[C@H](C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1CCCO1	909856561	OBIOQKRKHPQZHD-LRDDRELGSA-N	354.397	2.233	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N[C@@H](C(=O)O)c1ccccc1	588592229	LOCXXGUEJWPMFT-NHHWLVAYSA-N	366.417	2.479	10	10	FECE	
COC(OC)[C@@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1	914201027	VCMQCLRXLNPIMV-CYBMUJFWSA-N	353.488	2.046	10	10	FECE	
Cc1cc(O)c(CNCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(Cl)c1	840903805	BMVLROKYFOCGPA-IYVPYFHTSA-N	360.841	2.251	10	10	FECE	
CC[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1C)[C@@H]1CCCCO1	848933688	FMCHQKIZKFSQCB-MSOLQXFVSA-N	361.486	2.141	10	10	FECE	
CCc1noc([C@H]2CC[C@@H](N3C(=O)CN(Cc4ccccc4O)C3=O)C2)n1	925257802	BQZNTFHJWIONFK-GXTWGEPZSA-N	370.409	2.438	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)COc3ccccc3OC)C2)cc1	855234861	OOHCPUONDULCBJ-OAHLLOKOSA-N	356.422	2.478	10	10	FECE	
Cc1cncn1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	858928834	WZDGBEUAXGDPLF-IBGZPJMESA-N	356.470	2.465	10	10	FECE	
CC(C)OCCN1CCC(NC(=O)NCc2c(O)cccc2F)CC1	921241692	FUIQBXIMXIYAJM-UHFFFAOYSA-N	353.438	2.220	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@](O)(C4CC4)C3)C2)cc1	854295755	BGBNYLXSXGGKJR-JXFKEZNVSA-N	359.470	2.220	10	10	FECE	
CCOC(=O)C1CCC(O)(C[C@@H](O)CN[C@H](C)c2ccccc2O)CC1	931555237	VMNMTEOBKSKENG-OXJONJSCSA-N	365.470	2.278	10	10	FECE	
O=C(NCc1cccc(Br)c1O)N[C@@H]1[C@@H]2C[C@@H]3[C@@H]1OC[C@@H]3C2	868908185	UNWJXTHXFYWGSF-QGJZQDQRSA-N	367.243	2.377	10	10	FECE	
O=C(NCc1ccnc(F)c1)NCc1ccc(N2CCOCC2)c(F)c1	868116307	JIMVXZKSPISTKS-UHFFFAOYSA-N	362.380	2.196	10	10	FECE	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1ccc(N2CCOCC2)cc1	877887938	AUJDMDDSHZXSAB-UHFFFAOYSA-N	367.361	2.228	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NCc1ccc(Cl)o1	775227308	TVCHVKRABFVQLZ-UHFFFAOYSA-N	361.829	2.466	10	10	FECE	
COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(F)c(OC)c1	788066114	HXJIUUFJQNKWRZ-UHFFFAOYSA-N	355.343	2.127	10	10	FECE	
O=C(NCc1cccc(Br)c1O)N[C@@H]1C[C@H]2C[C@H]1[C@H](CO)C2	898158767	DWYQOSUCLCWTGX-GASQSECBSA-N	369.259	2.361	10	10	FECE	
CN1CCN(Cc2ccccc2)[C@@H](CNCc2cc3c(cc2O)OCO3)C1	694752107	MUXYWZVOXVIAEN-SFHVURJKSA-N	369.465	2.027	10	10	FECE	
COC(=O)C(C)(C)c1csc(NC(=O)Cc2ccc(O)c(O)c2)n1	1159219130	LSRXCUQMDPHPQV-UHFFFAOYSA-N	350.396	2.186	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCC1(COC)CC1	1326168167	WGQRRQHGHIWYMG-UHFFFAOYSA-N	361.486	2.034	10	10	FECE	
CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NCc1ccc(N2CCCC2)cc1	1325185173	PIVUTGYGCQJZBC-WMZOPIPTSA-N	351.516	2.094	10	10	FECE	
C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1cccc(O)c1O	2118175603	JHGHBQVGQDCAIE-DYEKYZERSA-N	362.426	2.425	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3C[C@@H]4CCC[C@@H]43)CC2)cc1	1334615049	LDAIEMYAPXFMIZ-ZOCIIQOWSA-N	371.481	2.085	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cc4c(cn3)OCCC4)C2)cc1	1334741186	ZMESQTRULMFFDC-HNNXBMFYSA-N	353.422	2.424	10	10	FECE	
Cc1nc(COc2cccc(C(=O)NCc3ccc(O)cc3O)c2)no1	1451768282	MXLALYJMXSKYCO-UHFFFAOYSA-N	355.350	2.298	10	10	FECE	
COc1cccc(CC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1	1464531655	VYNZZVJMHXJYFG-OAHLLOKOSA-N	355.438	2.347	10	10	FECE	
CS(=O)(=O)c1cccc(CNC(=O)NCc2cccc(Cl)c2O)c1	1478636107	PVCHFNIRCPRRFG-UHFFFAOYSA-N	368.842	2.449	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1ccc(S(=O)(=O)C2CCC2)cc1	1630306807	NPXYDZACGNRZFG-UHFFFAOYSA-N	361.419	2.354	10	10	FECE	
COc1cccc(CNC(=O)[C@@]2(O)CCCN(Cc3ccccc3)C2)c1O	1631540148	KREPSPCYJLPNDI-OAQYLSRUSA-N	370.449	2.044	10	10	FECE	
CC(C)OC(=O)C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)C(C)C	1646491261	DUXBWSAJJBIPSS-GOSISDBHSA-N	363.502	2.325	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)[C@]3(O)CCCC(C)(C)C3)cc2)CC1	1651023923	HUOBZMBAKWBFLS-NRFANRHFSA-N	359.514	2.386	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)Nc1ccc2nnc(Br)n2n1	1651734055	QZGNACMXZBTYCU-QMMMGPOBSA-N	364.203	2.341	10	10	FECE	
Cc1cccc(CNC(=O)C[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1O	2139761175	WMVUKBKAGVXCHH-HUUCEWRRSA-N	364.442	2.247	10	10	FECE	
CC[C@@H](C(=O)NCCc1ccc(O)c(O)c1)n1cnc2ccccc2c1=O	1860186732	VPVXKLODFDBKOM-INIZCTEOSA-N	367.405	2.118	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC[C@H]2CN=[N+]=[N-])C[C@@H](O)C1(C)C	1879106966	NBYWCUCMPWOETP-JKDFXYPNSA-N	367.450	2.342	10	10	FECE	
CC(C)(C)OC(=O)N1CC=CCN1S(=O)(=O)Cc1ccc(N)cc1	1999434749	OWMLYYVTLFSZSM-UHFFFAOYSA-N	353.444	2.123	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1nccs1)C(=O)N1CC(N=[N+]=[N-])C1	2010402859	XDYKATYEFFOAFS-JTQLQIEISA-N	352.420	2.100	10	10	FECE	
O=C(O)[C@@H]1COCCN1Cc1cc(Cl)cc(Br)c1O	708076127	SKRWCSFVURPVMS-JTQLQIEISA-N	350.596	2.094	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(NCc3c(O)cccc3F)(CO1)C2	2042603145	SRYREIHIXDHCDM-UHFFFAOYSA-N	352.406	2.447	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]1CC(=O)NCCc1ccc(O)c(O)c1	2059945182	FUKXWTIQVPNVLD-ZDUSSCGKSA-N	350.415	2.156	10	10	FECE	
C[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccc(O)cc1O	2069357476	LRBMVEYTBXVWDW-WPGHFRTFSA-N	352.431	2.119	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N[C@H]3CCC[C@H]3N=[N+]=[N-])CO[C@H]1C2	2266161712	UPPSFSUWGGUPDF-UTRPYSBESA-N	365.434	2.406	10	10	FECE	
COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)C1=Cc1ccc([N+](=O)[O-])cc1	2294037579	UULCJRGIRBBPAN-HNNXBMFYSA-N	372.377	2.446	10	10	FECE	
COC(=O)C[C@@H]1CCCN1C(=O)C=Cc1ccc(N2CCOCC2)cc1	2302416671	CKFCREXWAOADGP-SFHVURJKSA-N	358.438	2.091	10	10	FECE	
Cc1noc(CCNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1	102035580	CETLCAOARCTQGD-OAHLLOKOSA-N	360.414	2.017	10	10	FECE	
COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)c1cc(C)n(-c2ccccc2)c1C	111144459	UUFKILRWHWAFOT-WMZOPIPTSA-N	356.422	2.497	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@H](CCO)c1ccco1	187892682	NXKPGJGXJBDZAJ-KRZKXXONSA-N	356.422	2.369	10	10	FECE	
Cn1cnc2cc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cnc21	183654894	LCDXQTYDXGBZFN-INIZCTEOSA-N	366.421	2.495	10	10	FECE	
COc1cc(O)c(CN2CCCN(c3ccc(C)nn3)CC2)cc1OC	180078452	MGWVCJDYYGIOGV-UHFFFAOYSA-N	358.442	2.220	10	10	FECE	
COc1ccc(N2CCOCC2)cc1NS(=O)(=O)c1cccs1	41365248	QUYHFLFQHVEKMG-UHFFFAOYSA-N	354.453	2.394	10	10	FECE	
COc1ccccc1OCC(=O)N1CCc2cc(N3CCOCC3)ccc21	41122055	PUZVTXJJNRLHGU-UHFFFAOYSA-N	368.433	2.500	10	10	FECE	
Nc1nc(N2CC=C(c3ccc(Cl)nc3)CC2)cc(-n2cccn2)n1	367396938	OSRXQYYRMIWZCQ-UHFFFAOYSA-N	353.817	2.587	10	10	FECE	
C[C@H](O)CN(CCNCc1ccc(F)c(F)c1O)C(=O)OC(C)(C)C	700697674	PWLFISAQIUQARO-NSHDSACASA-N	360.401	2.378	10	10	FECE	
CCOc1cccc(CN2CCC(C(=O)Nc3nncs3)CC2)c1O	377709678	ZHDFBRDAIPIOTL-UHFFFAOYSA-N	362.455	2.493	10	10	FECE	
C[C@@H](NC(=O)CO[C@H](C)c1nccn1C)c1ccc(N2CCOCC2)cc1	805170113	AHAFWGNZTYNHFH-HZPDHXFCSA-N	372.469	2.212	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC(c2ncc[nH]2)CC1	298573298	FRCMXMHVYBMGDW-UHFFFAOYSA-N	370.453	2.260	10	10	FECE	
CC[C@@H]1C[C@H](NC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)CCO1	817878033	MKEFMXTYIUSTRM-SJLPKXTDSA-N	361.486	2.175	10	10	FECE	
COc1ccc(N2CCN(C(=O)Nc3cc(C)nnc3N(C)C)CC2)cc1	824530119	UNJTWOCLOHFHNG-UHFFFAOYSA-N	370.457	2.214	10	10	FECE	
COc1cc(Br)cc(CN(CCO)[C@H]2CCO[C@@H]2C)c1O	825130487	YWBYGDXRJCEXIK-MFKMUULPSA-N	360.248	2.135	10	10	FECE	
CCc1cc(N2CCC[C@@H](NC(=O)NCc3c(O)cccc3F)C2)ncn1	918327565	GQJJUSLICNNMEF-CQSZACIVSA-N	373.432	2.352	10	10	FECE	
Cc1cc(C(=O)CN2CCC[C@](O)(CO)C2)c(C)n1-c1cccc(F)c1	839148776	LXNKLLLEGOAFDA-HXUWFJFHSA-N	360.429	2.235	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NC[C@H](O)CN2CCCC2)c1O	848524854	XWMXCMJKXQDCES-YPMHNXCESA-N	373.291	2.271	10	10	FECE	
O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CNCCC1(F)F	842007678	ZLILEMWMCQZJEF-JTQLQIEISA-N	354.184	2.495	10	10	FECE	
O=[N+]([O-])c1cccnc1S(=O)(=O)NCc1ccc(N2CCCC2)cc1	849371185	RBHVBQJGRLLEOX-UHFFFAOYSA-N	362.411	2.069	10	10	FECE	
O=C(O)/C=C\c1ccc(N2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c([N+](=O)[O-])c1	844215067	CRNCRVJYDIGSEO-RAGFLNNPSA-N	362.382	2.059	10	10	FECE	
CC[C@H](NCC(=O)NCC(=O)N(C)Cc1ccccc1)c1ccccc1O	926966968	OTEVLPPTCLIRLH-SFHVURJKSA-N	369.465	2.208	10	10	FECE	
COCCN(CC(=O)N[C@@H](C)c1ccccc1O)C(=O)OC(C)(C)C	827978349	QFWBLMUHRWFGKL-ZDUSSCGKSA-N	352.431	2.453	10	10	FECE	
CO[C@H](CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)[C@H]1CCOC1	852384979	JOSIYCBVQQVQLS-VDZJLULYSA-N	363.502	2.343	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCS(=O)(=O)[C@@H](C)C1	859483915	PHFXYCMNVLRLOV-AWEZNQCLSA-N	374.462	2.166	10	10	FECE	
C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CCC(F)CC1	856080955	SGSXGIQDAZHJOT-UNXYVOJBSA-N	358.435	2.410	10	10	FECE	
CCOC(=O)[C@@H]1CC[C@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1	864635112	SHJNRBWSROFBCR-ZWKOTPCHSA-N	374.481	2.461	10	10	FECE	
Cc1cc(C(=O)CN2CC[C@H](NC(N)=O)C2)c(C)n1-c1cccc(F)c1	762926144	QYWAAGKCZXWVCB-HNNXBMFYSA-N	358.417	2.159	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNCc3cn(C4CC4)cn3)cc2)C1	865423074	FLCWIJXLVDALMH-INIZCTEOSA-N	353.470	2.210	10	10	FECE	
CO[C@H]1CC[C@@H](C)N(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	868117326	RXPCSLKCSRBRSE-ZBFHGGJFSA-N	365.449	2.371	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)N[C@@H]1C[C@@H]1c1ccccc1	1117371270	MYDGGWBXMJMKEO-ZIAGYGMSSA-N	361.492	2.414	10	10	FECE	
C[C@@H](NC(=O)[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O	1877573048	FXSRLVSITXSIFI-YJYMSZOUSA-N	364.442	2.331	10	10	FECE	
Cc1ccc(/C=C/C(=O)N2CCc3ccc(S(=O)(=O)N(C)C)cc32)cn1	777861885	HPEPCXZQIIJWPG-RMKNXTFCSA-N	371.462	2.243	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCCC[C@@H](CN=[N+]=[N-])C2)C[C@H](O)C1	1879106699	JYRWJJIGASGKFS-GDZNZVCISA-N	367.450	2.344	10	10	FECE	
COc1ccc(Br)c(CNCCN2CCSCC2)c1O	1964024607	XNJLNMQXAVOQAH-UHFFFAOYSA-N	361.305	2.302	10	10	FECE	
CCc1cccc(CNC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1O	702849148	SCPKXIXERRWLRK-HZPDHXFCSA-N	350.459	2.272	10	10	FECE	
C[C@]1(CCNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC1(F)F	1330501445	YUBANPUHBJQJOS-SFHVURJKSA-N	363.408	2.231	10	10	FECE	
CC(C)[C@H](NC=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	1354577749	SHLJNLZICODNHB-KRWDZBQOSA-N	350.374	2.171	10	10	FECE	
C[C@H](NC[C@@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(O)cc1O	2116204664	DFWZAHXGBQRYOM-ZILJWTLNSA-N	366.458	2.413	10	10	FECE	
COc1cc(C=O)ccc1OCC(=O)NCc1ccc2cccnc2c1O	1451939891	DALRGVSXJZVZCX-UHFFFAOYSA-N	366.373	2.457	10	10	FECE	
CSCC[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1nn[nH]n1	1629932095	WZNSIFXWYLCFFX-QMMMGPOBSA-N	365.440	2.050	10	10	FECE	
Cn1nc(CNC(=O)OC(C)(C)C)cc1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2124504623	AXKULTYKYJIBKW-LLVKDONJSA-N	363.422	2.360	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC(N=[N+]=[N-])C2)[C@H]2CCO[C@H]2C1(C)C	2124511153	BRNZCSUBQRHNMR-JKDFXYPNSA-N	365.434	2.216	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2124505202	IZNJGALMCIEIMI-BFHYXJOUSA-N	367.450	2.417	10	10	FECE	
Cc1ccc(C(=O)N[C@H](CO)c2ncc[nH]2)cc1-n1c(C)cc(C=O)c1C	1645523955	WNJDQQNVKOKKTB-QGZVFWFLSA-N	366.421	2.402	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCc3nc[nH]c3C23CCOCC3)cc1	1643703365	QGLPXBHFRCXBNG-UHFFFAOYSA-N	368.397	2.276	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1ccc(S[C@@H]2CCOC2=O)cc1	1593873140	JTHJWILZAZOSGC-MRXNPFEDSA-N	359.403	2.435	10	10	FECE	
Nc1ccc(-n2ccc(C(=O)N(CCCO)Cc3ccccc3)n2)cc1	1914620168	JHIOERQLDZDROH-UHFFFAOYSA-N	350.422	2.479	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])OCC12CC2	2127540791	AWQYPMYLGFLOEO-CHWSQXEVSA-N	365.434	2.456	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)NCc2ccccc2O)CO1	1969153908	FWBIGNRVHZPTLK-JSGCOSHPSA-N	350.415	2.033	10	10	FECE	
CC(C)(C)OC(=O)N1CCN([S@](C)(=O)=Nc2ccc(N)cc2)CC1	1999517525	NRHKDARZZYLPQR-XMMPIXPASA-N	354.476	2.466	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(O)c(O)c2O)[C@@H](F)C1	2029905541	FCEDQZKLZJRHHA-RYUDHWBXSA-N	356.394	2.241	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@]2(COCCN2CCCN=[N+]=[N-])C1	2054256217	VIFAFWPBCCLGNF-INIZCTEOSA-N	355.439	2.025	10	10	FECE	
C[C@@H]1CN(CCCOc2ccc(N)cc2)CC[C@@H]1NC(=O)C(F)(F)F	2106683715	FVKIJSCUDLJFHT-DOMZBBRYSA-N	359.392	2.427	10	10	FECE	
CN(C)c1ccc([C@H](N)[C@](C)(O)COCCNC(=O)OC(C)(C)C)cc1	2106852877	KPZSMYRSJIAKTJ-QFBILLFUSA-N	367.490	2.045	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)NCCc1ccc(O)c(O)c1)C(C)(C)F	2124337738	YDCKOJGMSFUZFW-AWEZNQCLSA-N	370.421	2.398	10	10	FECE	
CN(C)CCN(CC(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-])C(=O)OC(C)(C)C	2218737483	HYRAFDWNGMMABP-STQMWFEESA-N	354.455	2.133	10	10	FECE	
CC(C)(C)OC(=O)NCCCC[C@H](NCc1ccc(O)cc1O)C(=O)O	2274060190	DFKFHSLPDCXXLN-AWEZNQCLSA-N	368.430	2.336	10	10	FECE	
O=[N+]([O-])c1ccc(O)c(CN2CCN(CC(F)(F)C(F)F)CC2)c1	172280019	FGARBTAJNBHRDK-UHFFFAOYSA-N	351.300	2.318	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCC(N3CCO[C@H](C)C3)CC2)c1O	177280082	UFXSZJNQHYQUBB-CYBMUJFWSA-N	350.434	2.419	10	10	FECE	
COc1ccc(N2CCCN(C[C@H](O)CN3CCC(C)CC3)CC2)cc1	66483566	ZPQSGJAMQXUCQX-FQEVSTJZSA-N	361.530	2.300	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCCSCC1	80048418	IRJQTNVWJAECOX-UHFFFAOYSA-N	353.463	2.311	10	10	FECE	
C[C@H]1CN(Cc2ccccc2)CCN1C[C@H](O)COc1ccc(N)cc1	382689823	QAGNEPMBKMCTKC-PXNSSMCTSA-N	355.482	2.215	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccc2c(c1)N(C)CC2	531002981	MJTAIWGKZVPOBJ-UHFFFAOYSA-N	373.478	2.333	10	10	FECE	
C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-]	2218737875	LJSULGGJPISWFT-LPWJVIDDSA-N	353.423	2.358	10	10	FECE	
CC(=O)C(=O)COC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl	808548217	BWIGMPRACZCTTM-UHFFFAOYSA-N	353.802	2.317	10	10	FECE	
Nc1ccc(Cc2nc(C(=O)N3CC[C@@](O)(C(F)(F)F)C3)cs2)cc1	817948185	GBYOSLQKRISPMO-HNNXBMFYSA-N	371.384	2.455	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3CC[C@H](Nc4ncccn4)C3)ccc21	826020714	XBYQVDPTEAJVIK-KRWDZBQOSA-N	366.469	2.255	10	10	FECE	
COC1([C@H](NCc2cc(Br)cc(F)c2O)C(=O)O)CCC1	904050355	MPEXYJNBBATEAA-GFCCVEGCSA-N	362.195	2.406	10	10	FECE	
Cn1cc(/C=C2\OCCn3c2nc(Br)c3C=O)c(Cl)n1	901574403	FIJMCPLGHGZJMF-WTKPLQERSA-N	357.595	2.373	10	10	FECE	
CN(C)c1ccc(/C=C\CN[C@@H]2CCCN(Cc3nccn3C)C2=O)cc1	835048411	RIUANEGYAZHFOO-GJEJWFRCSA-N	367.497	2.280	10	10	FECE	
C[C@H]1CN(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C[C@H](C)O1	917926901	RACGVSBLMHUEHB-GJZGRUSLSA-N	367.515	2.071	10	10	FECE	
CN(C)[C@H]1C[C@@H](CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1	847291672	GGTXSTWKVBRNFO-PUZFROQSSA-N	374.529	2.035	10	10	FECE	
CC[C@@H](C[C@@](C)(O)CC)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	925055964	QVGACJXNDAWOKK-HKUYNNGSSA-N	368.543	2.341	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](CN)C3CCCCC3)C2)cc1	851664540	DVXCBKIHMYXTGY-APWZRJJASA-N	360.502	2.481	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cccc(C(=O)N(C)C)c3)C2)cc1	855228956	GKVWXSPIPRUJCV-KRWDZBQOSA-N	367.449	2.406	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CC[C@H](N3CCOC3=O)C2)c1O	853540380	JKKANLYJCUUPSV-AWEZNQCLSA-N	370.405	2.359	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@]4(CCOC4)C3)C2)cc1	852449160	QGEBJTMFLNREMB-UZLBHIALSA-N	359.470	2.486	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)C3=CCN(C)CC3)C2)cc1	852248536	IKRLXYNFIXISDK-NVXWUHKLSA-N	358.486	2.224	10	10	FECE	
CCCC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	855231615	WXZYNSCABPZLNK-IAGOWNOFSA-N	373.497	2.429	10	10	FECE	
Cc1cc(CCNC(=O)NCc2ncn(C)n2)c(C)n1-c1ccccc1	768754998	LVNWREDKBFXNNK-UHFFFAOYSA-N	352.442	2.265	10	10	FECE	
COC(=O)C1C[C@@H](C)N(CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1	860189699	VZWMILCUZDQSCM-HUUCEWRRSA-N	361.486	2.031	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)NC3(CN)CCOCC3)cc2)CC1	861574247	RORAIOVFLAPVIN-UHFFFAOYSA-N	360.502	2.230	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc(C=O)ccc3OC)CC2)cc1	864470047	DSLXXIRHMVIJPH-UHFFFAOYSA-N	354.406	2.479	10	10	FECE	
C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1	1119019063	IZSVGZQYZULBLP-GWCFXTLKSA-N	356.344	2.424	10	10	FECE	
O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1Cc2cccc(O)c2C1	871200009	XVINSDRTZZYQJN-UHFFFAOYSA-N	372.446	2.333	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)c2cn(C)nc2Br)c1	896163266	KVXSJSFRHRNHFK-MRVPVSSYSA-N	354.204	2.388	10	10	FECE	
CC(C)(C)c1nc(CN2CCCN(C(=O)c3cccc(O)c3O)CC2)no1	1136875990	PHBRSIOUQCNLIP-UHFFFAOYSA-N	374.441	2.126	10	10	FECE	
CCNCc1ccc(N(C)[C@H](C)CS(C)(=O)=O)cc1Br	688570306	QACVFVOEGZTNIH-LLVKDONJSA-N	363.321	2.428	10	10	FECE	
CC1(C)[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1N1CCOCC1	1300189670	UYCAUGMJFFZRJG-GJZGRUSLSA-N	359.430	2.078	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)CC1	2126929329	BNMLPQKZXDMYRJ-CYBMUJFWSA-N	367.450	2.297	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NCc2ccc3c(c2)CCCO3)C1	2126907474	NGWDYQUTAZJMFA-IRXDYDNUSA-N	362.470	2.472	10	10	FECE	
C[C@@H](NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1O	1918946484	ISWDOWUGWVQJFX-KZULUSFZSA-N	352.431	2.120	10	10	FECE	
CCCOc1ccc(CN2CCCC[C@@H]2CCNS(C)(=O)=O)c(O)c1	159440072	WVBQKVGUPZMWTK-MRXNPFEDSA-N	370.515	2.475	10	10	FECE	
CCOC(=O)COc1ccc(C=C2SC(=S)NC2=O)cc1OC	1903857813	QHPJWPQRZMBKTG-UHFFFAOYSA-N	353.421	2.126	10	10	FECE	
Nc1ccc(CCC(=O)N2CC(NC(=O)OCc3ccccc3)C2)cc1	1977936438	JLPOWFPNNDLYSS-UHFFFAOYSA-N	353.422	2.339	10	10	FECE	
CCS(=O)(=O)[C@H]1CCN(c2ccc(CNC)cc2Br)C1	2179900906	XPSDDRDYYYHTMC-LBPRGKRZSA-N	361.305	2.182	10	10	FECE	
O=C(NCCC1(O)CCN(Cc2ccccc2)CC1)c1cccc(O)c1O	718011972	QSUYVKMGWLDUMP-UHFFFAOYSA-N	370.449	2.245	10	10	FECE	
O=S(=O)(CC1CN(c2ccc(CO)cc2Br)C1)C(F)F	2173174111	VXTQWTDABLOZST-UHFFFAOYSA-N	370.215	2.015	10	10	FECE	
C[C@H]1[C@@H](C)S(=O)(=O)CCN1c1cc(Br)c(CN)cc1F	2170280475	RXWBPELPKOROMM-DTWKUNHWSA-N	365.268	2.059	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2060614774	HHDWQQXFZGTFIR-AVGNSLFASA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)N1CC(F)(CNC(=O)CCOc2ccc(N)cc2)C1	2106258799	GEHASYNFKHEYTD-UHFFFAOYSA-N	367.421	2.113	10	10	FECE	
C[C@H]1OC2(CNC(=O)OC(C)(C)C)CC1(NCc1cccc(O)c1O)C2	2100615126	DCGXTRJMUYICAV-PIHIASKNSA-N	364.442	2.402	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)CCOc1ccc(N)cc1	2106226658	ACKSZZNDUPGWPN-ISTRZQFTSA-N	361.442	2.162	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](F)CN1CC(=O)Nc1ccc(N)cc1	2106760461	PCXBFZYXXASTQB-WFASDCNBSA-N	366.437	2.144	10	10	FECE	
CN(Cc1ccccc1)[C@]1(CNC(=O)Cc2ccc(N)cc2)CCOC1	2098955237	BDFTZMONXLQZOA-NRFANRHFSA-N	353.466	2.219	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2218745919	OSWFTUBTKACRMK-UPJWGTAASA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2(C(=O)NCc2ccccc2O)C1	2278929697	JCIRXDSPKIWTOH-KXBFYZLASA-N	362.426	2.034	10	10	FECE	
COc1ccc(N2N=C(c3ccccc3)C(=C(C)NCCO)C2=O)cc1	2294474316	ALMXTHMZHPFMAF-UHFFFAOYSA-N	351.406	2.302	10	10	FECE	
CN1C(=O)C(=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21	2296664708	YZJYXMCITKSSOT-JTQLQIEISA-N	360.460	2.413	10	10	FECE	
COC(=O)[C@@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)CC(C)C	172649717	GVTPEUOVKPLNEP-AHKGRUIUSA-N	374.481	2.488	10	10	FECE	
CCN1CCN(c2ccc(C(=O)NCCc3ccc(O)c(O)c3)cc2)CC1	122756217	ZQYBHZATLGYSHV-UHFFFAOYSA-N	369.465	2.212	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(=O)Nc3cc(F)ccc3C)CC2)cc1	80241218	MZMDKDHDOZHEGG-UHFFFAOYSA-N	371.412	2.430	10	10	FECE	
CC(C)OC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(N2CCOCC2)cc1	255622391	JBRFWWQAYKDUEI-KWEPMOPPSA-N	372.465	2.479	10	10	FECE	
CCc1c(-c2ccncc2)n[nH]c1NC(=O)C1=S=C(c2cc[nH]n2)C=C1	364851806	PGWAZGQLAHCRQV-UHFFFAOYSA-N	364.434	2.392	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)c1nccn(C(F)F)c1=O	288081142	HVXHUDWZSNQEJO-UHFFFAOYSA-N	350.369	2.111	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ncc(C(F)(F)F)s2)cc1	291368541	RJUCSZXUEDYBNF-UHFFFAOYSA-N	372.372	2.483	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)N[C@H]1CCc2n[nH]cc2C1	805215814	ZFQSXBNCCBKDBJ-LBPRGKRZSA-N	365.231	2.235	10	10	FECE	
CCc1cnc(CCNC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1	807672592	DQSCPBCQWRTSGC-ZDUSSCGKSA-N	374.510	2.308	10	10	FECE	
C[C@@H]1CN(C[C@@H]2CCCN2C(=O)/C=C\c2ccc(O)c(O)c2)C[C@@H](C)O1	588408136	RUJDLOSTWJVUKP-SGWQWERDSA-N	360.454	2.211	10	10	FECE	
COc1ccccc1[C@@H](O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	900268797	GFYIJKDDISVATQ-LJQANCHMSA-N	374.412	2.021	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)[C@@H]1CCO[C@H](C)C1	841568606	COYQTWQLCXNSGC-HDMKZQKVSA-N	354.516	2.479	10	10	FECE	
CCNC(=O)c1ccc(N[C@H](C)c2ccc(N3CCOCC3)cc2)nn1	840251445	KJXXFVJUURSVPJ-CQSZACIVSA-N	355.442	2.236	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](O)c3ccsc3)C2)cc1	852452926	FNTWLZJKUVOVER-RHSMWYFYSA-N	361.467	2.368	10	10	FECE	
C[C@@H]1[C@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)C[C@H]2CC[C@H]1N2	925690714	GEJXNJJLXMAIOH-WPPQDWHVSA-N	351.441	2.420	10	10	FECE	
C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(N2CCOCC2)cc1	762063986	KVKVAWSBXKUXRF-ZDUSSCGKSA-N	356.382	2.317	10	10	FECE	
CC(C)(C)OC(=O)[C@H]1C[C@@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C1	865324609	XFDVXWORCSPIEK-OKILXGFUSA-N	360.410	2.277	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N[C@@H](C)c1ccccc1O	1877550247	YIMYKYCHPDZLNF-DUVNUKRYSA-N	364.442	2.451	10	10	FECE	
CS(=O)(=O)C[C@H]1CCCCN1C(=O)c1cc2cc(O)c(O)cc2s1	897906470	WMGYBKHXYGCQGV-LLVKDONJSA-N	369.464	2.352	10	10	FECE	
C[C@H](NC(=O)C(=O)N1CC[C@@H](c2nccs2)C1)c1ccc(N(C)C)cc1	897866219	USANXHPCGJKRKC-DZGCQCFKSA-N	372.494	2.402	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(Cc2cc(F)cc(F)c2O)C1	1962852773	QAINCCNHANTJAG-KRWDZBQOSA-N	372.368	2.224	10	10	FECE	
Cc1cc(=O)oc2cc(OCC(=O)NCc3cc(O)ccc3O)ccc12	1176747927	FNMQHWOPTPMFRP-UHFFFAOYSA-N	355.346	2.208	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C(C)=C\c1cccnc1	1329904164	IIPJRFYAHLKORU-OVHOFWQVSA-N	370.405	2.187	10	10	FECE	
Cc1cc(CCNC(=O)N[C@H](CO)c2ncc[nH]2)c(C)n1-c1ccccc1	1470968522	AKIDDUGFXHDFBI-GOSISDBHSA-N	367.453	2.393	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)[C@@H](CN(C)C)NC(=O)OC(C)(C)C	2124171232	FGFKPJUGKCLQPH-DZGCQCFKSA-N	365.474	2.367	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1cccc(-c2nnnn2C2CC2)c1	1587837799	GXDVDSAFFGTSDZ-UHFFFAOYSA-N	351.366	2.267	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)c3cn(C)c(=O)n3C)c2C)c1	1587020527	BBUSOLPHBVWHGI-UHFFFAOYSA-N	352.438	2.370	10	10	FECE	
CO[C@@H](C)CN(C(=O)NCc1ccc(N2CCN(C)CC2)cc1)C(C)C	1684873457	HPKGTPZQOCIHJY-KRWDZBQOSA-N	362.518	2.393	10	10	FECE	
C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)[C@@]12CCC[C@@H]1C2	1689427340	QSNZXUIATUFLBN-AEDCBLDQSA-N	357.414	2.274	10	10	FECE	
Cc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(N3CCC(O)CC3)cc1)CC2	160313644	QLZQQDZYFXXTPP-PBHICJAKSA-N	355.486	2.213	10	10	FECE	
Cc1ccc(CNC2(C(N)=O)CCN(Cc3ccccc3)CC2)c(O)c1	2139756318	RRHRXOZRDZYZNZ-UHFFFAOYSA-N	353.466	2.310	10	10	FECE	
CCOc1cccc(CN[C@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c1O	1918713200	DGMOPHDSBCKXQA-CYBMUJFWSA-N	366.458	2.251	10	10	FECE	
CN[C@@H](c1ccccc1O)[C@]1(O)CCN(C(=O)OCc2ccccc2)C1	1922460406	CGYNROXKOQDBGA-ICSRJNTNSA-N	356.422	2.426	10	10	FECE	
CCCN[C@H](c1ccccc1O)[C@@]1(O)COC[C@@H]1NC(=O)OC(C)(C)C	1922616478	CFBXCWQSDNDTFC-FRQCXROJSA-N	366.458	2.088	10	10	FECE	
O=S1(=O)C[C@H]2C[C@@H](NCc3cccc(Br)c3O)C[C@H]2C1	2161132882	NJOWVVTWGUFKNX-ZSBIGDGJSA-N	360.273	2.068	10	10	FECE	
CN(C(=O)CN1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)c1ccc(N)cc1	2163041366	GKEWIQVPMRCUBX-GJZGRUSLSA-N	374.485	2.030	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NCc1c(O)cccc1F	2042626490	OFVZKNLHWQTRPQ-ZWMNYZCKSA-N	352.406	2.302	10	10	FECE	
Cc1ccc(O)c(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c1	2052720842	MICJWRIPVPOXOV-HZPDHXFCSA-N	350.459	2.408	10	10	FECE	
CCc1cccc(CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)c1O	2063348253	KAQXRUPRVDGGPS-JKSUJKDBSA-N	350.459	2.415	10	10	FECE	
CN(C(=O)CN1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1)c1ccc(N)cc1	2188876778	CRHLWVFBERXPHA-WIYYLYMNSA-N	364.493	2.438	10	10	FECE	
CN1CCc2cc([C@@H](N)c3cn(C)[nH]c3=NC(=O)OC(C)(C)C)ccc21	2106849778	ATJAFPLPBFEBQQ-MRXNPFEDSA-N	357.458	2.229	10	10	FECE	
C[C@H](NCCn1cnc(I)c1)c1cc(O)ccc1O	2228829700	FJIKILAVCJBLHH-VIFPVBQESA-N	373.194	2.250	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)OC1	2253765543	ICYHEKUNHGJIHQ-QWHCGFSZSA-N	355.439	2.465	10	10	FECE	
CN(C(=O)C=Cc1ccc(O)c(O)c1)[C@H]1CCN(Cc2ccccc2)C1=O	2311489271	BOPVBFSEEQFFDG-KRWDZBQOSA-N	366.417	2.371	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C[C@@H]2CCC[C@@H]21	2313262399	KQYVPWUCQZPNEY-ZSMSVSEMSA-N	350.459	2.336	10	10	FECE	
COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(C)C)c(Br)c1	6859233	AKDXTERWONDSOF-ZDUSSCGKSA-N	368.231	2.316	10	10	FECE	
CCCN1CC[C@@H](CNC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1	54510520	ORDWXYZURGYVLP-KRWDZBQOSA-N	360.502	2.259	10	10	FECE	
COc1cc(N/C=C2\C(=O)NC(=O)N(CCCC(C)C)C2=O)ccc1O	58886242	PQJMBRKEFQLOKA-JLHYYAGUSA-N	361.398	2.211	10	10	FECE	
Nc1ccc(CS(=O)(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1	301385170	IFVRQLQNFOBUDC-LJQANCHMSA-N	359.495	2.353	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCN(CC(F)F)CC1	128012855	WXXOEODZHOPSBF-UHFFFAOYSA-N	350.413	2.155	10	10	FECE	
CC(C)(C)NC(=O)CN(CC(=O)NC(C)(C)C)c1ccc2c(c1)CCO2	75827799	LGBKMFTVFCIYHF-UHFFFAOYSA-N	361.486	2.257	10	10	FECE	
COC(=O)Cn1ncc(NC(=O)NCc2ccc3c(c2)CCCN3C)c1C	194018058	OEXZSAHVGLUSDH-UHFFFAOYSA-N	371.441	2.069	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3CCCOC3)cc2F)C[C@@H](C)O1	264358563	HDDLXPRAHQHBPB-FMKPAKJESA-N	365.449	2.418	10	10	FECE	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCc2cn(C)nn2)cc1	824775943	CPUAFEWJUXYODJ-LJQANCHMSA-N	371.485	2.022	10	10	FECE	
C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)/C=C\c1ccc(O)c(O)c1	588407670	ZKWIWSGRHJEZCR-FNOHHLHBSA-N	365.389	2.026	10	10	FECE	
O=C1CN(Cc2ccccc2O)C(=O)N1CCc1cccc2c1OCCO2	925440887	NFIKKWFUJPLOPW-UHFFFAOYSA-N	368.389	2.170	10	10	FECE	
CS(=O)(=O)CC[C@H](C(=O)NCc1c(O)cccc1F)c1ccccc1	928707368	DAPHNWPLFUYVPN-AWEZNQCLSA-N	365.426	2.366	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)COc3ccc(C=O)cc3)C2)cc1	855230565	PGKDBCUOEJJQLU-MRXNPFEDSA-N	354.406	2.282	10	10	FECE	
C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CS1(=O)=O	853411826	NRCXDIDYEHWZCD-GDBMZVCRSA-N	365.499	2.052	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CC4(CCCC4)OC[C@@H]3C)nc12	852634754	BJMHUMZLCYEDIL-ZDUSSCGKSA-N	374.441	2.145	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC(O)(C(F)F)CC2)c([N+](=O)[O-])c1	777828401	NKTMFVFBYBNFCT-HYXAFXHYSA-N	356.325	2.377	10	10	FECE	
CC(C)(C)NC(=O)N1CCN(Cc2ccc(N3CCOCC3)cc2)CC1	775985008	VYJYKQVSGMXEDX-UHFFFAOYSA-N	360.502	2.149	10	10	FECE	
CC1(C)CO[C@@H](CCNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1	897807685	CSUXETUXRGXBBF-SFHVURJKSA-N	371.481	2.000	10	10	FECE	
O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1cc2cc(O)c(O)cc2s1	896308202	BVYDMDSXIFDEBQ-QMMMGPOBSA-N	374.340	2.206	10	10	FECE	
CC(=O)c1cncc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1	895780328	HGXMUVYOOUNOJQ-UHFFFAOYSA-N	367.449	2.423	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1N	1136972675	VUYHGRSTBHFNPN-UHFFFAOYSA-N	360.345	2.421	10	10	FECE	
Nc1cc(Br)cc(C(=O)NCc2c(O)cccc2F)c1N	1178417295	ZNFIJGDZCUGFJQ-UHFFFAOYSA-N	354.179	2.388	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNCc2ccc3c(c2)CCO3)C[C@H]1O	2116202040	HNWBOYOCWDIJKZ-DJIMGWMZSA-N	362.470	2.375	10	10	FECE	
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)CC(O)C1	2131459622	MBGSIWGGOMPAKY-SFYCDEOASA-N	367.450	2.344	10	10	FECE	
CCC[C@H]1CCCN1C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1	1198431256	WHJVZBVBQIPCPU-ICSRJNTNSA-N	361.530	2.443	10	10	FECE	
CN1CCC(CNC(=O)OC(C)(C)C)(NCc2cccc(O)c2O)CC1	2130838999	ODEWPEYTWBQPAQ-UHFFFAOYSA-N	365.474	2.177	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cc(O)c(O)c(O)c1	2132401685	VJVFHNVVVQVABG-LLVKDONJSA-N	366.414	2.275	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCC[C@]1(C)NC(=O)NC1=O	1539467451	BGDVLVUTSNQKJA-FQEVSTJZSA-N	372.469	2.014	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc2nsnc12	1631070032	PTCHEKWQXVHWJC-UHFFFAOYSA-N	354.435	2.458	10	10	FECE	
Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)c1ccc(N=NC(N)=O)cc1	1638268530	QIVUHUGQKCOINH-MRXNPFEDSA-N	365.393	2.471	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cnc2[nH]cnc2c1	1566850226	ZQWDUULQOHHVKO-UHFFFAOYSA-N	374.784	2.132	10	10	FECE	
CCn1cc([C@@H](CN)N(C)c2ccc(CNC(=O)OC(C)(C)C)cc2)nn1	2194931698	USYSFPHKPQUVHH-QGZVFWFLSA-N	374.489	2.459	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NCc1c(O)cccc1F	2042626487	OFVZKNLHWQTRPQ-PHKINGBFSA-N	352.406	2.302	10	10	FECE	
COc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)c(O)c1	2058679041	FVAIBUFEKSJNAA-GDBMZVCRSA-N	352.431	2.125	10	10	FECE	
COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccccc1O	2072481768	KTGCQIFSEARUDK-SMDDNHRTSA-N	354.403	2.041	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)Nc2ccc(N)cc2)CCO1	2106694643	FGQGEVAURBKZCY-IUODEOHRSA-N	364.446	2.415	10	10	FECE	
COc1ccc(N2C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)c(F)c1F	2219772154	XYVGAOWZTCGUOU-MNOVXSKESA-N	358.385	2.438	10	10	FECE	
Cn1nccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-]	2225791312	CKZLBHSKDBGPBG-GVXVVHGQSA-N	363.422	2.334	10	10	FECE	
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(O)c3)C2=O)cc1	2293531450	CBQUANJKIXCOFE-UHFFFAOYSA-N	352.346	2.457	10	10	FECE	
CCn1nccc1C=CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	2303626830	KEASUYLKTSWXKA-UHFFFAOYSA-N	368.481	2.441	10	10	FECE	
CCN1C(=O)C(=Cc2cc(Br)c(O)c(OC)c2)NC1=S	2313637844	FMEOCGGMEIQCKS-UHFFFAOYSA-N	357.229	2.241	10	10	FECE	
C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1N1CCOCC1	175683514	KOEIUWWERLGCFF-YLJYHZDGSA-N	372.513	2.149	10	10	FECE	
O=C(O)CN1C(=O)/C(=C/C=C\c2ccc([N+](=O)[O-])cc2)SC1=S	108729179	NSJJMWKNXHHMIK-VZLSHGEGSA-N	350.377	2.437	10	10	FECE	
O=C(CN(CC(=O)NC1CC1)c1ccc(OC2CCCC2)cc1)NC1CC1	31465404	URJPSJRDYRNASP-UHFFFAOYSA-N	371.481	2.372	10	10	FECE	
COc1cc(/C=C2/C(=O)NN=C2C)ccc1OCC(=O)Nc1nccs1	35520024	RSXSARIAKYXMSU-KPKJPENVSA-N	372.406	2.058	10	10	FECE	
CCc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1[N+](=O)[O-]	49153910	FRHCCHDOWVYPIN-UHFFFAOYSA-N	370.409	2.478	10	10	FECE	
C[C@@H]1C[C@H]1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	80023669	UQZRDPKPLVLISL-BXKDBHETSA-N	352.437	2.393	10	10	FECE	
Cc1csc(=O)n1CC(=O)Nc1ccnn1Cc1ccc(N(C)C)cc1	96945996	MIBXILIWMUUVJY-UHFFFAOYSA-N	371.466	2.168	10	10	FECE	
COc1ccc(N2CCN(c3nncc(N4CCC[C@@H](C)C4)n3)CC2)cc1	243981011	SDCYJJYYSBRYDD-MRXNPFEDSA-N	368.485	2.443	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12	251638026	HBRGXCUCLHRQMB-IPMKNSEASA-N	359.470	2.232	10	10	FECE	
O=C(Nc1nccs1)[C@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1	367903837	MLZZXVPULRFLDA-FVOPLDGLSA-N	359.407	2.197	10	10	FECE	
COc1cc(OC)c2c(c1)N(C(=O)c1ccnc3c1CC(=O)N3)CCC2	628702043	KYHLCVIKFCTVRP-UHFFFAOYSA-N	353.378	2.186	10	10	FECE	
CO[C@@H]1COCC[C@H]1CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	294755298	ATYWYISWXPLJRD-KVSKMBFKSA-N	363.454	2.341	10	10	FECE	
O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)NCc5cccc(Br)c5O)[C@@H]4[C@H]3[C@@H]12	800555153	PPNOFSLCGXRXOZ-NZIBSADASA-N	374.234	2.098	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCCc1ncn(C)n1	826978884	BIWYDLYFAWGKDJ-OAHLLOKOSA-N	358.490	2.053	10	10	FECE	
Cc1nc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)c(=O)[nH]c1C	820006399	WKCWPZRUTFLKNK-UHFFFAOYSA-N	360.377	2.349	10	10	FECE	
Cc1ncc(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1C	901287579	PMXQRAGHWPKEIH-UHFFFAOYSA-N	367.497	2.191	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)c1	735858034	GVMLNGRSUBARQD-MOFZMDFASA-N	369.421	2.193	10	10	FECE	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(CN)cc3)c2)CC1	832021574	PYICPZWYLBVYAB-UHFFFAOYSA-N	352.438	2.066	10	10	FECE	
C[C@@H](NC(=O)N(C)[C@H]1CCN(C2CC2)C1)c1ccc(N2CCOCC2)cc1	732457288	YDPGABINOFMYHV-UZLBHIALSA-N	372.513	2.462	10	10	FECE	
C/C(=C/c1cccnc1)C(=O)N1CCc2ccc(S(=O)(=O)N(C)C)cc21	846879408	XYYLCRGOZWBSSC-KAMYIIQDSA-N	371.462	2.325	10	10	FECE	
COc1cc(Br)cc([C@H](C)NC[C@@H](O)c2cnn(C)c2)c1O	848529468	NWXDCUISQOHSPD-TVQRCGJNSA-N	370.247	2.281	10	10	FECE	
O=C(CCC(=O)N1CCOc2ccccc21)NCc1c(O)cccc1F	928712070	OIJDTFPIIKTUMK-UHFFFAOYSA-N	358.369	2.353	10	10	FECE	
OC1CCN(c2ccc(CNC[C@@H](O)Cc3ccc(F)cc3)cc2)CC1	853121506	FYPWQYNFOVBYNJ-NRFANRHFSA-N	358.457	2.480	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)c1	922397251	IZHQTJVARDDAAX-SAABIXHNSA-N	374.462	2.212	10	10	FECE	
CCOc1ccc(O)c(CNC[C@@H]2CN(Cc3ccncc3)CCO2)c1	858306122	IWYBPUNVDXJFNF-LJQANCHMSA-N	357.454	2.177	10	10	FECE	
C[C@H](CO)COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	766663228	SQUAOVBSMRSYBL-SNVBAGLBSA-N	369.329	2.155	10	10	FECE	
CC(=O)N[C@@](C)(C(=O)NCc1cc(Br)ccc1O)C(C)C	935960290	XLSLXENSJNXYOU-OAHLLOKOSA-N	357.248	2.322	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNCc2cc(Cl)ccc2O)C1	702817521	GIMCJNBNJQIENN-SWLSCSKDSA-N	356.850	2.363	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCC[C@@]2(C)CC2(F)F)cc1F	1347477302	IQASAFNYLMHFRS-INIZCTEOSA-N	357.376	2.060	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]3[C@@H]3C[C@@H]43)cc2)CC1	1350320292	YBYLESLPKZOBLV-DABHTEOTSA-N	367.493	2.297	10	10	FECE	
CC1=NO[C@@](C)(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1	1458009705	FXIFNNUNRPWQNU-OAQYLSRUSA-N	370.497	2.390	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1CC2(C1)CS(=O)(=O)C2	1463808804	OLXHABCHTGCMJC-UHFFFAOYSA-N	362.495	2.070	10	10	FECE	
COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1	1627190976	IHAJNHAJFKDKNA-CQSZACIVSA-N	372.303	2.417	10	10	FECE	
O=C1C[C@]2(CCN(C(=O)Cc3ccc(O)c(O)c3)C2)Oc2ccccc21	1639028912	MHYNFWMXULRGNS-FQEVSTJZSA-N	353.374	2.277	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3ccc(NC4CC4)nc3)cc2)CC1	1583475850	NHQMDJABOCNAKT-UHFFFAOYSA-N	365.481	2.338	10	10	FECE	
CCN(CC(=O)NCc1ccc(N(C)C)cc1)[C@H](CO)c1ccccc1	1654616832	PAGDPPFJHITMOV-HXUWFJFHSA-N	355.482	2.424	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3cccc(F)c3O)CC2)cc1	1583758817	ZHGGEUDVLBVHRN-UHFFFAOYSA-N	373.428	2.092	10	10	FECE	
CC(C)[C@@H](CCNC(=O)c1cc(O)c(O)c(O)c1)NC(=O)OC(C)(C)C	2132410359	MLYQFSNBQNGBNG-GFCCVEGCSA-N	368.430	2.473	10	10	FECE	
COc1c(Br)cc(Br)cc1[C@@H](O)C(=O)C(C)=O	1919077551	YYNZJLJYVHMXFF-SNVBAGLBSA-N	366.005	2.412	10	10	FECE	
OCC12COC(CNCc3cc(Cl)cc(Br)c3O)(C1)C2	1967802886	PSPAFJJLBLSKIG-UHFFFAOYSA-N	362.651	2.439	10	10	FECE	
CN[C@H](c1ccccc1O)[C@]1(O)CC[C@@H]1NC(=O)OCc1ccccc1	1977188756	RENQKXKWLKVQIU-NSHGMRRFSA-N	356.422	2.473	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C	2180712111	AUZJZYABJVKNNI-OAHLLOKOSA-N	374.441	2.210	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](Nc2c(N)cccc2C(N)=O)[C@@H](F)C1	2046520070	FOKUGVOKFLLOPU-WCQYABFASA-N	352.410	2.127	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)C1(NC(=O)OC(C)(C)C)COC1	2060227264	KTKQOTFJVGIPKF-GFCCVEGCSA-N	350.415	2.205	10	10	FECE	
COC[C@H](CC(=O)N1CCC[C@H](CN=[N+]=[N-])C1)NC(=O)OC(C)(C)C	2060619899	SJSSOLLOQOXGHV-OLZOCXBDSA-N	355.439	2.465	10	10	FECE	
C[C@@H]1CN(C(=O)COc2ccc(N)cc2)CC[C@H]1NC(=O)OC(C)(C)C	2106769070	VIYQLVZAPJYRNX-CZUORRHYSA-N	363.458	2.409	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CNC(=O)COc2ccc(N)cc2)C1	2106267550	BGEGUMHSVPADPT-DJJJIMSYSA-N	361.442	2.021	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](CNCc2ccc(O)c(O)c2)C[C@@H]2OCC[C@H]21	2090474003	VCCSDAKCPZDNEE-VBQJREDUSA-N	364.442	2.354	10	10	FECE	
CCCN[C@H]1C(=O)Nc2cc(N(CC(N)=O)Cc3ccccc3)ccc21	2095891925	LTGSRQBIQMFWEZ-LJQANCHMSA-N	352.438	2.171	10	10	FECE	
CC(C)(C)OC(=O)NCCOCCOCCNCc1c(O)cccc1F	2225553173	LKXHPWOZJYYUQN-UHFFFAOYSA-N	372.437	2.179	10	10	FECE	
COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1O	2294133893	LBNAOZUAVXVSMP-UHFFFAOYSA-N	352.346	2.376	10	10	FECE	
Cc1cc(C=CC(=O)N2CCS(=O)(=O)CC2)c(C)n1-c1ccccc1	2297467285	WLNUPZPXPSFWCV-UHFFFAOYSA-N	358.463	2.364	10	10	FECE	
CN(C)CC=CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	2297717192	UJPHIFNDKNYODT-CQSZACIVSA-N	353.413	2.491	10	10	FECE	
O=C1C(=CN2CCOCC2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	2313609810	NTCJRSBWOLEKKX-UHFFFAOYSA-N	351.409	2.133	10	10	FECE	
COc1cc(Cl)c(N2CC(O)(CNC(=O)OC(C)(C)C)C2)c(OC)c1	2319631587	BNNQRAMGGHXIKS-UHFFFAOYSA-N	372.849	2.433	10	10	FECE	
CC(C)(C)OC(=O)N(CCCO)CCC(=O)N1CCC[C@H](N=[N+]=[N-])C1	2319823575	AJCQBEGGGHUDMU-ZDUSSCGKSA-N	355.439	2.297	10	10	FECE	
C[C@H]1C[C@](O)([C@H](N)c2ccc3c(c2)CCN3C)CN1C(=O)OC(C)(C)C	2336904305	HSOUUDQIBIWJEP-WSXQUGQNSA-N	361.486	2.439	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCN(C[C@@H]3CCCCN3C)CC2)cc1	107325679	VWKGHVKWIJYIDK-FQEVSTJZSA-N	373.545	2.064	10	10	FECE	
Cc1c(O)c(O)c(C)c2c1Oc1c(O)c(O)c3c(c1[C@@H]2O)[C@H](O)C=CO3	14611730	CFHASEWULLWTPB-FUXBKTLASA-N	360.318	2.253	10	10	FECE	biogenic
COc1ccc(N2CCN(c3ccnc(NC[C@@H]4CCCO4)n3)CC2)cc1	243085115	ITARGUSUJMDGSB-SFHVURJKSA-N	369.469	2.403	10	10	FECE	
Cc1ccc(CN2CCC[C@H](S(C)(=O)=O)C2)c(O)c1Br	2380714932	UNTLNWDSMVJSPG-LBPRGKRZSA-N	362.289	2.472	10	10	FECE	
O=S1(=O)CC[C@@]2(C[C@@H](NCc3cc(Cl)c(F)cc3O)CCO2)C1	293584916	KAHFGLMVYNDHRJ-XHDPSFHLSA-N	363.838	2.011	10	10	FECE	
Cc1nccn1CCNC(=O)NCc1cc(Br)ccc1O	805184870	ALKOYLWTIGJFHG-UHFFFAOYSA-N	353.220	2.159	10	10	FECE	
COc1cc(N2CCN(C(=O)[C@H]3C[C@@H]3C(F)F)CC2)cc(OC)c1OC	800939528	HLCSXJFHNURTRM-STQMWFEESA-N	370.396	2.262	10	10	FECE	
CC(C)(C)OC(=O)N1Cc2nccn2C[C@@H](NCc2ccc(O)cc2O)C1	2163406029	QBHCGJGWZHWHBE-CQSZACIVSA-N	374.441	2.203	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)N[C@@H]1CCc2nc[nH]c2C1	811950546	HASPHRYDHASZSY-LLVKDONJSA-N	365.231	2.235	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCC[C@H]4C[C@H]43)cc2)C1	822936440	AWGGSFHIOKDUJM-QFHJOOASSA-N	355.482	2.441	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)N[C@@H](C3CCC3)C3CC3)C2)cc1	829636935	DGEDLPXDKUWBGV-APWZRJJASA-N	371.481	2.085	10	10	FECE	
COc1cccc(CNC(=O)CCC(=O)N2CCOc3ccccc32)c1O	730283428	YIFPLWILJRNFHN-UHFFFAOYSA-N	370.405	2.223	10	10	FECE	
CCS(=O)(=O)NC1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1	835054509	WFCCOILHGKVOSI-WAYWQWQTSA-N	351.516	2.170	10	10	FECE	
CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)NCc1ccc(N2CCCC2)cc1	840260038	VCBWVGSZAMPJRA-KRWDZBQOSA-N	358.486	2.485	10	10	FECE	
C[C@H](CCCN)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	841867749	XBUIKCIPEKMBTE-QGZVFWFLSA-N	373.545	2.145	10	10	FECE	
C[C@H](NC(=O)NCCN1C[C@@H]2CCCCN2C1=O)c1ccc(N(C)C)cc1	852261940	WOBUIUMPLXJYFI-YJBOKZPZSA-N	373.501	2.403	10	10	FECE	
CCN(C)C[C@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	854298709	ADZGOIVYYUSVMT-SJORKVTESA-N	360.502	2.257	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)N3CCC(=O)NCC34COC4)c2C)c1	921807382	PTNPUELMNYFAAV-UHFFFAOYSA-N	367.449	2.134	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CN(C4CC4)C[C@H]3C)C2)cc1	852199734	CJHWTGINFUYXMC-VCBZYWHSSA-N	358.486	2.056	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3N)C2)cc1	855223580	AKYSLXAMURBTQX-LBPRGKRZSA-N	356.382	2.194	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC(=O)N(C)[C@@H](C)C1	861546682	HPEGVBANBUAGPU-AWEZNQCLSA-N	353.422	2.209	10	10	FECE	
CC(=O)c1cc(F)cc(CNC(c2ccnn2C)c2ccnn2C)c1O	860079268	HOGVDFODGYONEQ-UHFFFAOYSA-N	357.389	2.080	10	10	FECE	
COCCCNC(=O)Cc1noc(-c2ccc(-n3cccc3)c(F)c2)n1	771059698	YIIFKYXCAVZSQE-UHFFFAOYSA-N	358.373	2.362	10	10	FECE	
Cc1cc(Br)cc(/C=C2/SC(=S)N(CC(N)=O)C2=O)c1	772180488	YAUVQYNAZRORBQ-BJMVGYQFSA-N	371.281	2.444	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)OCCc2cccc(F)c2F)c1	785224407	KUEXICLDVRCZKD-UHFFFAOYSA-N	371.361	2.441	10	10	FECE	
CC1(c2cc(NC(=O)C(=O)NCCc3ccc(O)c(O)c3)no2)CCCC1	789713429	QWZZDRIYWSODOB-UHFFFAOYSA-N	373.409	2.215	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)C(=O)N3CCO[C@@H](C)CC3)cc2)CC1	1354456726	UOCCOWPEAIWJAW-KRWDZBQOSA-N	373.497	2.177	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCCN(c2ccccc2F)C1=O	1295081534	QZJUDBKARRZXHR-CQSZACIVSA-N	358.369	2.091	10	10	FECE	
Cc1c(C(=O)NCc2ccc(O)cc2O)sc2nc3n(c(=O)c12)CCC3	1451770010	OAYHKFYDLJDOKL-UHFFFAOYSA-N	371.418	2.054	10	10	FECE	
O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NCc1ccc(O)cc1O	1299570610	KOAFVADKONASCR-UHFFFAOYSA-N	369.204	2.451	10	10	FECE	
O=C(NCc1ncc2c(n1)CCOC2)c1cc2cc(O)c(O)cc2s1	1640820506	HQIAHAORVVGFFP-UHFFFAOYSA-N	357.391	2.105	10	10	FECE	
C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)NCc1c(O)cccc1F	1685751350	GJINCGXOMFGPJS-GFCCVEGCSA-N	370.384	2.129	10	10	FECE	
COc1ccc(CN[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C2CC2)cc1C	1690160393	GDZFIJHTRZQLTC-KBAFEORJSA-N	370.493	2.411	10	10	FECE	
COc1cc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)ccc1CO	2139685133	PCCYOLSYDHKBET-CTNGQTDRSA-N	354.450	2.277	10	10	FECE	
O=C(O)[C@]1(O)CCCN(Cc2cc(Cl)cc(Br)c2O)C1	1964721681	INAMLJPAJVJGEJ-ZDUSSCGKSA-N	364.623	2.220	10	10	FECE	
COc1cc2c(cc1C=C1SC(N3CCOCC3)=NC1=O)O[C@H](C)C2	2040481049	GTUPEMGIFZMWRE-LLVKDONJSA-N	360.435	2.321	10	10	FECE	
O=S1(=O)CC[C@]2(CCCN2Cc2c(O)cccc2Br)C1	2158463523	YNJPPKQLLWXMCV-CQSZACIVSA-N	360.273	2.308	10	10	FECE	
CCN(CCNC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ccc(N)cc1	2044597150	CZLFQZFIQISPCG-CYBMUJFWSA-N	350.463	2.442	10	10	FECE	
CN(C(=O)c1ccc(O)c(O)c1)[C@H](CNC(=O)OC(C)(C)C)C1CC1	2054397750	LQCJWWYERKNORX-CYBMUJFWSA-N	350.415	2.473	10	10	FECE	
C[C@H]1C[C@H](NC(=O)c2cccc(O)c2O)CN(C(=O)OC(C)(C)C)C1	2054416582	WXFIUGZWGDCGLH-RYUDHWBXSA-N	350.415	2.473	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1	2060640702	XVQZNHWOMUOREE-CHWSQXEVSA-N	353.423	2.171	10	10	FECE	
CN[C@@H](c1ccc2c(c1)CCN2C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1	2106853100	MWCPDFAILJMMBY-FXAWDEMLSA-N	361.486	2.311	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-])[C@H]1CCOC1	2218739332	FNGGLGQJNGSPAE-RNJOBUHISA-N	353.423	2.264	10	10	FECE	
Cc1cccc(CNC(=O)CN(C(=O)OC(C)(C)C)[C@@H]2CCOC2)c1O	2272548799	RPJFIXDMKQOCPQ-OAHLLOKOSA-N	364.442	2.343	10	10	FECE	
O=C1C(=Cc2ccc3nccnc3c2)SC(=S)N1N1CCOCC1	2296592289	IGLKKFTYQVRSES-UHFFFAOYSA-N	358.448	2.078	10	10	FECE	
CN(C(=O)CN1C[C@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1)c1ccc(N)cc1	2288268233	ZVYCTOBJFCVLEH-VLIAUNLRSA-N	374.485	2.078	10	10	FECE	
CCN1C(=O)C(=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)SC1=S	2313532984	DUBDSCVYSYXVQD-UHFFFAOYSA-N	355.353	2.430	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H]1CCOCC[C@H]1NC(=O)OC(C)(C)C	2315988034	DBMZLVKDXXWRNW-CHWSQXEVSA-N	355.439	2.465	10	10	FECE	
CN(C)c1ccc(CN[C@]2(C(=O)O)CCN(C(=O)OC(C)(C)C)C2)cc1	2348037954	COMURJUJFZBOSJ-LJQANCHMSA-N	363.458	2.306	10	10	FECE	
COc1cccc2c1CCN(CC(=O)NCc1ccc(N(C)C)cc1)CC2	193716029	DLMWJSZAHZWWGN-UHFFFAOYSA-N	367.493	2.478	10	10	FECE	
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(N(C)C)cc1	267325411	ICCWEWNQZZPPRI-UHFFFAOYSA-N	365.411	2.148	10	10	FECE	
Cc1cc(Cl)cc(CNC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1O	373189982	KEDJEOUEWVQKRB-SJCJKPOMSA-N	351.834	2.164	10	10	FECE	
CS(=O)(=O)N1CC[C@@H](CN2CCCc3cc(OC(F)F)ccc32)C1	374902726	NRWYYMJJJJYJON-LBPRGKRZSA-N	360.426	2.322	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1	808529254	BNYZLSOPWNEWID-HNNXBMFYSA-N	368.227	2.287	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)NC(=O)c1cccs1	808092833	ALRHOSBZDWRACD-LLVKDONJSA-N	353.440	2.374	10	10	FECE	
CC1(C)OCC[C@@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	297943173	WJZIZYGWMRHUTI-KRWDZBQOSA-N	365.449	2.154	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H](Nc2ncccn2)C1	825720830	GCILMIKQOUFELW-QGZVFWFLSA-N	366.469	2.473	10	10	FECE	
COc1cc(N2CC[C@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])cc1OC	829304933	DSDBCBROZMQZJG-SDBXPKJASA-N	350.293	2.362	10	10	FECE	
Cc1cc(C(=O)CN2C[C@@H](C(N)=O)CC[C@H]2C)c(C)n1-c1ccc(F)cn1	827680331	QATCETQLUJNMQP-DOMZBBRYSA-N	372.444	2.397	10	10	FECE	
Cc1cc(C(=O)CN(C)CCC(=O)O)c(C)n1-c1ccc2c(c1)OCO2	836688507	IOKSISAUOSLBTK-UHFFFAOYSA-N	358.394	2.412	10	10	FECE	
CC(C)(C)NS(=O)(=O)CC(=O)NCc1ccc(N2CCCCC2)cc1	742468966	VTWSWASPYQBBJZ-UHFFFAOYSA-N	367.515	2.011	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@H](C)CC3)CC2)cc1	754010946	ADEOBELKCUMIRG-AZUAARDMSA-N	361.530	2.300	10	10	FECE	
Cc1cc(C(=O)CN(C)[C@H]2C[C@@H](C(N)=O)C2)c(C)n1-c1ccc(F)cn1	859962288	NTXDKJBCDAVXFJ-OTVXOJSOSA-N	358.417	2.007	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)c3cc(C(C)(C)N)no3)C2)cc1	852893565	OLNMUPRIRGJCKV-ZDUSSCGKSA-N	358.442	2.133	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC[C@@H]1CC[C@H](C(N)=O)O1	864638186	SRUFMUVQCKSQFB-RBUKOAKNSA-N	373.497	2.448	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCN(CCO)[C@H](C)C1	860990628	KDBXNNDZUUKWHI-MRXNPFEDSA-N	369.465	2.045	10	10	FECE	
CCN(Cc1cn(C)nn1)Cc1c(O)c(C(=O)OC)cc2ccccc12	781580155	SRRZSZKJJBGUAG-UHFFFAOYSA-N	354.410	2.483	10	10	FECE	
COC(=O)c1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)nc1C1CC1	781026050	FMXUUYDEADXWPR-YCRREMRBSA-N	368.389	2.486	10	10	FECE	
COc1ccc(CNC(=O)NCc2nccn2CC(F)(F)F)c(O)c1	792910389	BIZSXSUZPWIIRB-UHFFFAOYSA-N	358.320	2.159	10	10	FECE	
Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCc1cccc(O)c1O	1303193325	KMSYKCINOINWBG-UHFFFAOYSA-N	365.389	2.399	10	10	FECE	
O=C1CC[C@@]2(C(=O)NCc3cc(O)ccc3O)Sc3ccccc3N12	1176748437	SKLALUDKAQQLPV-SFHVURJKSA-N	356.403	2.343	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC[C@H](F)C1	1261437425	CAPYJBWMGKMHOE-RDBSUJKOSA-N	353.390	2.217	10	10	FECE	
CC1(C)CC[C@H](CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)OC1	1353659874	IIDOVILHNWZTOO-GOSISDBHSA-N	373.497	2.224	10	10	FECE	
CN(C)c1ccc(CNC(=O)/C=C\c2ccc(S(C)(=O)=O)o2)cc1F	1357200618	MLJZSXQMKVSUOW-YVMONPNESA-N	366.414	2.218	10	10	FECE	
COc1cc(N2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)c([N+](=O)[O-])cc1OC	1458615966	FWWHKNSOKHDYOU-PIGZYNQJSA-N	365.386	2.327	10	10	FECE	
COC(=O)[C@@](C)(CO)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C	1451214238	UMIJYWNKNSKGNR-GOSISDBHSA-N	364.829	2.401	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCCN3CC[C@H](C)C3)CC2)cc1F	1479477482	SXVWFPBZMXWSFH-HNNXBMFYSA-N	364.465	2.008	10	10	FECE	
Cn1c(CCNC(=O)c2c(F)ccc(O)c2O)nnc1-c1ccccc1	1611135897	XOSBIULVHDRHKN-UHFFFAOYSA-N	356.357	2.005	10	10	FECE	
C[C@@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccn1	1543379228	ZXGMUYIAROMCRZ-NVXWUHKLSA-N	366.465	2.203	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc2nccn2c1	1630480557	CRFMOSCYERRAST-UHFFFAOYSA-N	353.378	2.245	10	10	FECE	
O=C(NCCCc1ccccc1)C(=O)NCc1ccc2cccnc2c1O	1630532390	KATWNRWCYSZFRS-UHFFFAOYSA-N	363.417	2.306	10	10	FECE	
CNC(=O)CCn1c(C2CCCC2)nnc1N(C)Cc1ccccc1O	1748273606	JFPLISVFUYOIKW-UHFFFAOYSA-N	357.458	2.414	10	10	FECE	
C[C@H](NCCCN1CCC(O)CC1)c1ccc(N2CCC(O)CC2)cc1	151355204	GCJKAVMXZDGJKL-KRWDZBQOSA-N	361.530	2.145	10	10	FECE	
C[C@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](CO)C1)c1ccccc1O	1879527383	RDRGXOPNRLTFSB-WTOJCKNJSA-N	364.442	2.235	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3cccc(O)c3O)C[C@H]21	280460848	MEEKAPVRLXBRBG-IACUBPJLSA-N	362.426	2.473	10	10	FECE	
Cn1[nH]c(CCNC(=O)OC(C)(C)C)nc1=N[C@H]1CCc2cccc(O)c21	2183124887	LOLNHEUDXHFFLQ-ZDUSSCGKSA-N	373.457	2.109	10	10	FECE	
CC(C)(C)OC(=O)NCC[C@@H]1CN(Cc2cc(N)ccc2O)CCO1	2055858107	BQLGJQDOHIJNBC-OAHLLOKOSA-N	351.447	2.090	10	10	FECE	
CO[C@@H](C(=O)N1CCC[C@@H]1CN=[N+]=[N-])C1CN(C(=O)OC(C)(C)C)C1	2060634097	VIUXHQASUXGRLJ-CHWSQXEVSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1	2060620147	WWJHSIVILIYSNI-STQMWFEESA-N	353.423	2.029	10	10	FECE	
CC(C)(CCNC(=O)c1cc(O)c(O)c(O)c1)NC(=O)OC(C)(C)C	2068617731	LIGKAVMLJUZTCP-UHFFFAOYSA-N	354.403	2.227	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@H]2C[C@]2(NC(=O)OC(C)(C)C)C1	2106765497	KQUOBGDOHIBWIC-VPZZIHKRSA-N	360.458	2.195	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@H]2C[C@@]2(NC(=O)OC(C)(C)C)C1	2106765494	KQUOBGDOHIBWIC-VLXJIEOASA-N	360.458	2.195	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)CCOc3ccc(N)cc3)C[C@@H]21	2107821022	YOVGRSYHWVSWJM-QLPKVWCKSA-N	361.442	2.019	10	10	FECE	
CSc1ncc(CNC(=O)c2cc(=N)[nH]cc2Br)s1	2269135269	SUOIDHXMGVOBRQ-UHFFFAOYSA-N	359.274	2.365	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C2)cc1OC	2226799983	WEPXMEBXKMQOGH-DZGCQCFKSA-N	366.458	2.416	10	10	FECE	
CC(C)Nc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C)C1=O	2296714368	PZEZREAXPPFVPG-UHFFFAOYSA-N	360.464	2.346	10	10	FECE	
O=C1NN(c2ccc(Cl)cc2)C(=O)C1=Cc1cc([N+](=O)[O-])ccc1O	2297505988	OBOTXQZIHDIZSF-UHFFFAOYSA-N	359.725	2.415	10	10	FECE	
Cc1cccc(N2C(=O)NC(=O)C(=CNc3c(C)nn(C)c3C)C2=O)c1C	2313547725	AGEYBZCMUOISQN-UHFFFAOYSA-N	367.409	2.233	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)N3CC[C@@H](CN=[N+]=[N-])C3)CO[C@H]1C2	2334183641	LIBDRZBDSNDHMJ-PFHKOEEOSA-N	365.434	2.218	10	10	FECE	
COCCN1CCC[C@@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1	171901766	PENZUZMKBYOLHR-LJQANCHMSA-N	360.502	2.197	10	10	FECE	
Cc1cc(O)c(O)cc1CCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1	170196732	SXSPWIXFIYNVRG-KRWDZBQOSA-N	368.433	2.114	10	10	FECE	
Cc1noc([C@@H](C)N2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)n1	121282636	NQUQUJUXTXJAGK-MRXNPFEDSA-N	371.485	2.093	10	10	FECE	
C[C@@H](NCC1CN(S(C)(=O)=O)C1)c1ccc(N2CCCCC2)cc1	187824082	CSMRGOFLYFHLCK-OAHLLOKOSA-N	351.516	2.219	10	10	FECE	
Cc1ccc(OCC(=O)N2CCN(c3ccc4c(c3)OCCO4)CC2)cc1	41380155	WPFFBGFVFLQVCJ-UHFFFAOYSA-N	368.433	2.494	10	10	FECE	
CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1	193101729	RECFLOAVQCQCKM-LLVKDONJSA-N	374.359	2.361	10	10	FECE	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCNC1	246525437	RPHHMDUCSDYBSG-KBPBESRZSA-N	353.413	2.373	10	10	FECE	
NC(=O)c1cc([N+](=O)[O-])cnc1N1CC=C(c2ccc(Cl)nc2)CC1	378407979	YYGNHDDHVDGQGQ-UHFFFAOYSA-N	359.773	2.431	10	10	FECE	
COc1cc(OC)cc(N2CC[C@@H](CNC(=O)c3cccc(O)c3O)C2)c1	370033376	ZNUYWIHBXMHVKG-ZDUSSCGKSA-N	372.421	2.371	10	10	FECE	
C[C@@H](OCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1nccn1C	806823477	VPHRYWPOOSQJKS-NVXWUHKLSA-N	373.453	2.411	10	10	FECE	
CC(=O)C(=O)COC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1	808524672	BSJXWXALTXRBDN-UHFFFAOYSA-N	365.183	2.258	10	10	FECE	
CNC(=O)[C@@H](CNC(=O)NCc1ccccc1O)Cc1ccc(F)cc1C	826035661	BVJUTUKQJOWCSK-MRXNPFEDSA-N	373.428	2.244	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)NC[C@@H]1CCC[C@@H]2C[C@H]12	828238636	IYRCWHBXQFACCI-AGIUHOORSA-N	353.513	2.294	10	10	FECE	
CCS(=O)(=O)c1ccc(CC(=O)NCc2cc(OC)ccc2O)cc1	734016437	RAIUNLNMSXKNKR-UHFFFAOYSA-N	363.435	2.053	10	10	FECE	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1(C2CC2)CCC1	906331192	FWYQIXXVTIDLBI-UHFFFAOYSA-N	362.495	2.118	10	10	FECE	
C[C@H](NS(=O)(=O)C[C@@]12CCCN(CC1)C2)c1ccc(N(C)C)cc1	914392204	VRIJVBGFFJJPOK-YJBOKZPZSA-N	351.516	2.219	10	10	FECE	
C[C@H](NC(=O)N1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1)c1ccc(N(C)C)cc1	838559163	KSXJBHASKSESQL-RGIVZKHGSA-N	361.486	2.385	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)c1cc(O)nc(C2CC2)n1	848069431	WMZDJYDKKWHVDX-UHFFFAOYSA-N	364.199	2.458	10	10	FECE	
Cc1cc(C(=O)CN2CCCNCC2)c(C)n1-c1ccc2c(c1)OCO2	843344865	CENMESXCHYENFL-UHFFFAOYSA-N	355.438	2.301	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN3CCC34CCCC4)CC2)cc1	844275621	DZRJVBMIHRWLAC-LJQANCHMSA-N	359.514	2.197	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C1CC1)[C@H]1CCCCO1	848933454	AZHUAORZXVDHKQ-MOPGFXCFSA-N	373.497	2.141	10	10	FECE	
CCc1nnc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)s1	852346645	LWEMZTIMUUVUET-GFCCVEGCSA-N	361.471	2.187	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN[C@H](C)C3CCCC3)CC2)cc1	754786807	AEHQVCVCYGSEKV-XLIONFOSSA-N	361.530	2.346	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCCc2cnn[nH]2)C1	774112338	PUFCWEJMUKDWMY-UHFFFAOYSA-N	367.453	2.312	10	10	FECE	
O=C1C[C@H]([C@H]2CCCCN2C(=O)c2cc3cc(O)c(O)cc3s2)CN1	897263666	LCYJKOPZRCYVLT-NWDGAFQWSA-N	360.435	2.443	10	10	FECE	
COC(=O)CCCNC(=S)NCc1cc(Br)ccc1O	795153504	DXCXXYNXYINKQL-UHFFFAOYSA-N	361.261	2.072	10	10	FECE	
O=C(N[C@@H]1CCCc2c1cnn2CCO)c1cc2cc(O)c(O)cc2s1	1153471881	DFCAXGOBNMERFH-GFCCVEGCSA-N	373.434	2.309	10	10	FECE	
CN(C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1ccc(N=NC(N)=O)cc1	1151550684	IFMJOGJYLDBPRZ-PMPSAXMXSA-N	359.430	2.173	10	10	FECE	
O=C(NCCCN1C(=O)c2ccccc2C1=O)NCc1c(O)cccc1F	1248553367	SUXANLHHWPBXQP-UHFFFAOYSA-N	371.368	2.017	10	10	FECE	
CN1CCN(c2ccc(CNc3ncc4c(n3)CCOC4)cc2F)CC1	1330306175	HTSKFMYDSWNYSJ-UHFFFAOYSA-N	357.433	2.052	10	10	FECE	
COC(=O)[C@@H]1O[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C[C@H]1C	1352943681	FPOLPFKEJJTVLB-ZTFGCOKTSA-N	362.470	2.456	10	10	FECE	
CCOC(=O)C1=S=C(NC(=O)c2ccc(N=NC(N)=O)cc2)C=C1C	1454253870	WOPOBSUZOKGMJD-UHFFFAOYSA-N	360.395	2.137	10	10	FECE	
CN(C)C(=O)/C=C/C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	1294161285	LTRUOKUSHVNAJV-WTNCMQEWSA-N	367.396	2.017	10	10	FECE	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H]1CCN1CC	1618426991	AKXXSEKPNDILGY-GOSISDBHSA-N	361.486	2.469	10	10	FECE	
Cc1nc(-c2ccn(C)n2)sc1CC(=O)NCCc1ccc(O)c(O)c1	1631517130	YEYYJBVXILQSKH-UHFFFAOYSA-N	372.450	2.165	10	10	FECE	
COc1ccc(N2CCCN(C(=O)c3cc4n(n3)CCC[C@H]4O)CC2)cc1	1630717864	CDNCGYALMYLFDG-LJQANCHMSA-N	370.453	2.071	10	10	FECE	
CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2124504087	UWNLPIDSKYVFCG-KGLIPLIRSA-N	368.482	2.380	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CC2)n1CC1(O)CCOCC1	1747749827	DULVVGKMTCIZHI-UHFFFAOYSA-N	358.442	2.039	10	10	FECE	
CNC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O	1873842335	ZQJUROSWRWKMLU-UHFFFAOYSA-N	358.401	2.320	10	10	FECE	
Cn1nc(CNC(=O)Cc2ccc(N)cc2)c(Br)c1Cl	2153077946	PDYJUWWLAWGMLQ-UHFFFAOYSA-N	357.639	2.277	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)Nc1ccc(N)cc1	2044621606	RXIRIFRGCNRVPL-CQSZACIVSA-N	350.419	2.026	10	10	FECE	
CS(=O)(=O)[C@H]1C[C@H](CNCc2cc(Br)cc(F)c2O)C1	2192327024	BMOKIGXZINQDSU-JLIMDTESSA-N	366.252	2.207	10	10	FECE	
COc1cccc(O)c1CNC[C@@H]1CN(C)CCN1C(=O)OC(C)(C)C	2104437306	HJTIHBQZEGFOQQ-CQSZACIVSA-N	365.474	2.042	10	10	FECE	
CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(c1cc3c(cc1N)NC(=O)CC3)C2	2106818159	KXEVUMTUSVJMOO-BLVKFPJESA-N	358.442	2.257	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N(CC(=O)N(C)C)Cc1ccccc1	2095919360	YZRRQKTXZYCJQT-OAHLLOKOSA-N	354.454	2.186	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@]1(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])CCOC1	2218747527	XENPZPSCZVCVCI-HWWQOWPSSA-N	353.423	2.360	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)C1CN(C2CCN(C(=O)OC(C)(C)C)CC2)C1	2271190230	OPZFURBYJBAXOM-UHFFFAOYSA-N	366.466	2.086	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](CNCc2ccc(N)cc2)[C@H]1OC	2264755016	XZPFFHVSHZRPRB-BRWVUGGUSA-N	365.474	2.008	10	10	FECE	
O=C1NC(=O)N(CCC2=CCCCC2)C(=O)C1=CNCc1cccnc1	2296103270	ZEYZFMGKGHJMSA-UHFFFAOYSA-N	354.410	2.024	10	10	FECE	
O=C(O)CCOc1cccc(C=C2SC(=S)N(CCCO)C2=O)c1	2314928728	ASCFUEIULKCNKR-UHFFFAOYSA-N	367.448	2.124	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@H]1COC2(CNC(=O)OC(C)(C)C)CC1C2	2342985722	PXXPYVMPOZPHRK-JZLYGMAVSA-N	367.450	2.465	10	10	FECE	
Cc1cnn(CCNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	118080491	VRKHZXLKLBWMCJ-QGZVFWFLSA-N	358.442	2.288	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)cc1	181775769	CUPZYWGNTWFXHR-UHFFFAOYSA-N	357.366	2.271	10	10	FECE	
NS(=O)(=O)CCCCCCNCc1cccc(Br)c1O	2364250007	WIGSFYFDLAEQNZ-UHFFFAOYSA-N	365.293	2.093	10	10	FECE	
COC(=O)C[C@H](N)c1cc(Br)cc(Br)c1O	95638290	MVMDWULAZSDYGC-QMMMGPOBSA-N	353.010	2.480	10	10	FECE	
CC[C@H](C)NC(=O)c1ccnc(N2CCN(c3ccc(OC)cc3)CC2)n1	244272704	WPISXKSTJQOQEX-HNNXBMFYSA-N	369.469	2.340	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCN(S(C)(=O)=O)C1	801508336	OHZAEXDQUZOSJB-SFHVURJKSA-N	365.543	2.390	10	10	FECE	
C[C@H](NC(=O)N1CC2(CCCOC2)C1)c1ccc(N2CCOCC2)cc1	806542246	RAPQELVAGGGNKX-INIZCTEOSA-N	359.470	2.406	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@@]4(CCCNC4)C3)C2)cc1	818655979	SVKXHKYBZYGZAW-DYESRHJHSA-N	372.513	2.307	10	10	FECE	
COC(=O)[C@@H]1CCN(C/C=C\c2ccc(N(C)C)cc2)[C@@H](C(=O)OC)C1	835045314	UTHDJOAUFDDOED-GOVFWEMJSA-N	360.454	2.192	10	10	FECE	
CC[C@@H](C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@@H](C)O	842247465	PDHDFEXHEPDJPG-OXQOHEQNSA-N	359.514	2.242	10	10	FECE	
Cc1ccccc1[C@H](O)CNCc1ccc(N2CCS(=O)(=O)CC2)cc1	849326043	BGPJBDLMYXZWFF-HXUWFJFHSA-N	374.506	2.053	10	10	FECE	
CN1CCC(CNC/C=C\c2ccc(N(C)C)cc2)(N2CCOCC2)CC1	840955161	NTYHUGHAWAHGJH-PLNGDYQASA-N	372.557	2.152	10	10	FECE	
CC(C)N1CC[C@@H](C(=O)NCc2c(O)cccc2F)[C@@H](c2cnn(C)c2)C1	928712549	RVOBPWBAYNFFLO-NVXWUHKLSA-N	374.460	2.395	10	10	FECE	
COC(=O)C[C@@H](CNC(=O)N[C@@H](C)c1cc(OC)ccc1O)C1CC1	852605461	SUOULSJMRHSQJP-AAEUAGOBSA-N	350.415	2.350	10	10	FECE	
COCc1n[nH]c(CNC(=O)Cc2cc(C)n(-c3ccccc3)c2C)n1	855517604	VBOVJCIZUNCINX-UHFFFAOYSA-N	353.426	2.218	10	10	FECE	
CCc1ncnc(CC)c1C(=O)NCc1ccc(N2CCC(O)CC2)cc1	856215593	MQCJMVNLQQTIGW-UHFFFAOYSA-N	368.481	2.493	10	10	FECE	
C[C@@H]1OC[C@]2(CC[C@@H](CN3C(=O)CN(Cc4ccccc4O)C3=O)O2)[C@H]1C	925145390	MHRDQHQRFXEDFG-JZJQHEAOSA-N	374.437	2.129	10	10	FECE	
CC[C@H](NC[C@@H](O)CS(C)(=O)=O)c1cc(Cl)cc(Cl)c1O	927021054	ADXMASFNTQXUHQ-SKDRFNHKSA-N	356.271	2.145	10	10	FECE	
CCN(C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCN(C)C1	854187586	NJFVZXIEXIOLTL-FUHWJXTLSA-N	360.502	2.257	10	10	FECE	
C[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@](C)(C(F)F)O1	852781863	WJNAQXWROPQPAY-KUHUBIRLSA-N	369.456	2.456	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)Cc1cnn2c1CCCC2	868966216	LDCXPQJUPAJFKJ-UHFFFAOYSA-N	371.437	2.059	10	10	FECE	
C[C@@H](NC(=O)NC[C@H]1CN(Cc2ccncc2)CCO1)c1ccccc1O	868815845	POISBMVYZBDARF-WBVHZDCISA-N	370.453	2.048	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCc3occc3[C@H]2C(=O)O)cc1F	864520735	DYDVCIJOULJWSP-INIZCTEOSA-N	361.373	2.378	10	10	FECE	
O=C1O[C@H]2CNC[C@H]2N1[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C1	872255107	PKVMKARPQMVWIH-YUTCNCBUSA-N	372.252	2.066	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@@H]1[C@@H]1CCCOC1	1123488759	HSNHJJNCQHXCHG-IEBWSBKVSA-N	359.470	2.234	10	10	FECE	
Cc1cc(C)cc(-n2ncc(/C=C3/SC(=S)N(CC(=O)O)C3=O)n2)c1	781101047	RVRMNFLJQLOXPU-AWNIVKPZSA-N	374.447	2.170	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@](OC)(C(F)(F)F)C2)c1O	895578278	YALCVIGAWKZCLH-ZDUSSCGKSA-N	350.293	2.462	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)c1O	799144617	ICBWKWIQTRGZMA-DYVFJYSZSA-N	370.405	2.262	10	10	FECE	
Cc1c[nH]nc1C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	799424728	PXCXVSRVSJCPKV-UHFFFAOYSA-N	353.470	2.180	10	10	FECE	
CC(C)S(=O)(=O)c1ccc(CC(=O)NCc2ccc(O)cc2O)cc1	1162279247	XJGQCGIDFXTGPO-UHFFFAOYSA-N	363.435	2.139	10	10	FECE	
CC(C)[C@@H](C(=O)NCc1c(O)cccc1O)S(=O)(=O)C1CCCCC1	1178911028	JNBPEHJIDAAHFK-KRWDZBQOSA-N	369.483	2.486	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2CCOC[C@H]2C)cc1	1323319276	LPFGKMQSNOJUBP-CRAIPNDOSA-N	361.486	2.032	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@H]1[C@H](O)c1ccccc1	1348672783	NWEROINWUDLPIA-PKOBYXMFSA-N	368.433	2.075	10	10	FECE	
O=C(NCc1nnc(S)n1C1CC1)c1cc2cc(O)c(O)cc2s1	1443356243	LLRJZJXEVORPLW-UHFFFAOYSA-N	362.436	2.458	10	10	FECE	
COCc1nnc2n1CCN(Cc1cc(Cl)cc(C(C)=O)c1O)C2	1460364300	BHGVBAJDSYJBLA-UHFFFAOYSA-N	350.806	2.002	10	10	FECE	
COC(=O)C[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(O)c(O)c1	1472254870	AHPGALHHQBHBMV-DZZUKKPASA-N	355.390	2.402	10	10	FECE	
CN1C[C@@H]2CCCN(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)[C@@H]2C1	1479535032	RIGAPOMRYCIJOL-YSIASYRMSA-N	373.545	2.091	10	10	FECE	
CCOC(=O)NCCCC(=O)N(C)CCN(C)c1ccc(OC)cc1	1616532825	FZJKCTHBHFSMNZ-UHFFFAOYSA-N	351.447	2.116	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCc2ccnc(N3CCOCC3)c2)cc1	1542598654	CJMINZSJFMWLDO-UHFFFAOYSA-N	368.397	2.011	10	10	FECE	
CS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1Cl	1556195319	FEFLEOSWXVRCFA-UHFFFAOYSA-N	369.826	2.014	10	10	FECE	
Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)c1cc(O)cs1	1633730308	SVISMXXGCYJPQO-UHFFFAOYSA-N	361.423	2.418	10	10	FECE	
CS(=O)(=O)Nc1cc(C(=O)NCc2cccc(Cl)c2O)ccc1F	1637227026	KANSHZKGLXCVRM-UHFFFAOYSA-N	372.805	2.486	10	10	FECE	
CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2124505394	KYYLPRFIUVKIMR-ZIAGYGMSSA-N	368.482	2.380	10	10	FECE	
Cc1cccc(CNC(=O)[C@H]2COC[C@@H]2N(C)C(=O)OC(C)(C)C)c1O	2139741935	QZGHTAKFHWIDTQ-GJZGRUSLSA-N	364.442	2.199	10	10	FECE	
COc1cc(C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc(O)c1O	1952725285	YYFHLEQUPNLWSL-CYBMUJFWSA-N	355.387	2.362	10	10	FECE	
Nc1ccc(CCC(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)cc1	2153983169	NIKQDTITXXXYTJ-LEWJYISDSA-N	365.477	2.313	10	10	FECE	
CN1CCc2cc(CN[C@H]3[C@H]4OCC[C@H]4[C@H]3NC(=O)OC(C)(C)C)ccc21	383220079	NHPMGIIHBYOXFC-AITUJVMLSA-N	373.497	2.449	10	10	FECE	
CN1C(=O)O[C@H]2CN(Cc3cc(Cl)cc(Br)c3O)C[C@H]21	2176932310	FGBYKQHSBCQXAE-MNOVXSKESA-N	361.623	2.443	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CC12CCC2	2049783714	ZRTVYILJUUAFTA-JMERFSKESA-N	350.459	2.337	10	10	FECE	
C[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)CC[C@H]1NC(=O)OC(C)(C)C	2054413173	LJARPGPRSXIDGJ-DGCLKSJQSA-N	350.415	2.473	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2060638627	ZGVXGWWWCPJLAB-RWMBFGLXSA-N	353.423	2.218	10	10	FECE	
CO[C@H]1C[C@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2060611028	OMEKQWSPDDPEBG-RWMBFGLXSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2060635382	LHRMEQXSKAOTOE-CHWSQXEVSA-N	355.439	2.344	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060638008	QUWCLNFBSVJHCP-RWMBFGLXSA-N	353.423	2.048	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(Cc3ccc(N)cc3)CC2)C1	2106677494	HVRYKOGCQAWFSS-GOSISDBHSA-N	360.502	2.396	10	10	FECE	
CN(CCOCCNC(=O)OC(C)(C)C)c1cc2c(cc1N)OCCO2	2106711055	FAZUPROKIQGXQY-UHFFFAOYSA-N	367.446	2.018	10	10	FECE	
CN1C(=O)[C@H](N)c2ccc(N3CC[C@H](N(C)Cc4ccccc4)C3)cc21	2095870000	JNVUUPQAKCQAPG-FXAWDEMLSA-N	350.466	2.374	10	10	FECE	
Cc1cccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccnn2C)c1O	2204604788	IXBFEUZXJIBFLY-OAHLLOKOSA-N	374.441	2.316	10	10	FECE	
CN(CCn1cnc(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)c1)C(=O)OC(C)(C)C	2225238949	HBJZPTQBYOWANR-GFCCVEGCSA-N	363.422	2.275	10	10	FECE	
Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-]	2225791890	IFUISVDTVPWUBW-VXGBXAGGSA-N	363.422	2.406	10	10	FECE	
CCCCCCN1C(=O)NC(=O)C(=Cc2ccccc2OCC(=O)O)C1=O	2295880068	PACWITHATJNNSY-UHFFFAOYSA-N	374.393	2.192	10	10	FECE	
C[C@H](CNC(=O)C=Cc1ccc(N2CCOCC2)cc1)CN1CCCC1	2297505776	HLCDGHQBORJQCM-GOSISDBHSA-N	357.498	2.385	10	10	FECE	
COC(=O)C=Cc1ccc(N2CCC(Cn3cncn3)CC2)c([N+](=O)[O-])c1	2310198023	LSTCUEHJPGINFH-UHFFFAOYSA-N	371.397	2.289	10	10	FECE	
CCOc1cccc(C=C2SC(=S)N(CCOCCO)C2=O)c1	2323768109	LJFBVAKVWRRCES-UHFFFAOYSA-N	353.465	2.295	10	10	FECE	
CCOc1cccc(C=C2SC(=S)N([C@@H](C(=O)O)[C@H](C)O)C2=O)c1	2323823505	NGCRPCHKQMDXMZ-TVQRCGJNSA-N	367.448	2.121	10	10	FECE	
O=[N+]([O-])c1ccc(O)c(CN2CCN(C[C@@H](O)c3ccccc3)CC2)c1	170935686	JIPVZKPKNUTYQM-LJQANCHMSA-N	357.410	2.152	10	10	FECE	
C[C@@H](CN[C@H](C)c1ccc(N2CCC(O)CC2)cc1)CN1CCN(C)CC1	120801520	OMLGRDPVWUMDHR-RBUKOAKNSA-N	374.573	2.182	10	10	FECE	
CCN1CCC[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1	194174828	IYUYFFFSQRWEGR-GOSISDBHSA-N	360.502	2.149	10	10	FECE	
CCN(C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(OC)c(OC)c1	267930214	LNDMDGUHXBIXCX-AWEZNQCLSA-N	356.488	2.202	10	10	FECE	
Cc1cc(N2CCC[C@H](NCc3ccc(N4CCOCC4)cc3)C2)n(C)n1	364679195	RHUBSZLDEPOBCG-IBGZPJMESA-N	369.513	2.324	10	10	FECE	
C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1	299094786	KTRAUGJEPFNIPD-QGZVFWFLSA-N	373.497	2.130	10	10	FECE	
CC[C@@H](COCC1CC1)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	827157332	ADNOQBZWOOXPDJ-SFHVURJKSA-N	373.497	2.224	10	10	FECE	
CCOC(=O)[C@H](CNC(=O)c1c(F)ccc(O)c1O)Cc1ccccc1	825594487	DSCIABIKSIRMRB-ZDUSSCGKSA-N	361.369	2.389	10	10	FECE	
COCC[C@@H](COC)NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	840376644	HQTVXPKZVLJBBW-WBVHZDCISA-N	351.491	2.343	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc(CNC(C)=O)cc3)C2)cc1	855230772	XTPCLWRSBYREHW-SFHVURJKSA-N	367.449	2.340	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNC(=O)NCc1cc(C)ccc1O)C2	858554306	FIPYWYJUWLTLAF-LZWOXQAQSA-N	361.442	2.367	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(S(C)(=O)=O)oc2C)c1	860241063	GGQOXWFGQWLVGQ-VIFPVBQESA-N	353.396	2.197	10	10	FECE	
C[C@@H](NC(=O)N[C@@H]1CCNC12CCC2)c1ccc(N2CCOCC2)cc1	861566358	USIJTWVJVQDMCH-CRAIPNDOSA-N	358.486	2.168	10	10	FECE	
C[C@@H](NCc1ccc(CN2C(=O)CNC2=O)cc1)c1ccc(F)cc1O	866521755	NYRKVSSQCYIVQT-GFCCVEGCSA-N	357.385	2.434	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC[C@@]3(O)C[C@H]3C2)cc1	1118879859	CXGAGRIVZZRTEH-GHTZIAJQSA-N	352.434	2.432	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1OCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1	871205655	JEVJBMRTNQHEDT-XJKSGUPXSA-N	362.426	2.164	10	10	FECE	
Cc1cnc(F)cc1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	894590016	QZOGVTVAONSGBC-UHFFFAOYSA-N	370.428	2.161	10	10	FECE	
COC(=O)[C@@H](C[C@H]1CCCO1)NCc1ccc(Br)cc1O	895867385	WTOAVIHDLYXXRX-CHWSQXEVSA-N	358.232	2.355	10	10	FECE	
CN(Cc1cccc(Br)c1O)CC(C)(C)S(C)(=O)=O	93772641	LQSUXTBMZAEROG-UHFFFAOYSA-N	350.278	2.410	10	10	FECE	
C[C@H](NC(=O)Cn1cc(Br)ccc1=O)c1ccccc1O	1454815444	FLKMDZUKNKSVKV-JTQLQIEISA-N	351.200	2.194	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NC[C@@H](O)c1ccccc1Br	1451426521	ZXBKSQUCRVSBBQ-OAHLLOKOSA-N	366.211	2.253	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]12CN(CCc3ccc(N)cc3)C[C@H]1CCO2	2118569188	RDULJQHTSQKUGH-OXQOHEQNSA-N	361.486	2.427	10	10	FECE	
COC(=O)c1ccc2c(c1)N(CC(=O)NCc1ccc(N(C)C)cc1)CC2	1460928145	CYRQEFNLUFEMOE-UHFFFAOYSA-N	367.449	2.218	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3CCN3C3CCCC3)CC2)c(OC)c1	1557822222	CEMBCRFKGNWPLV-LJQANCHMSA-N	373.497	2.369	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H]1COC[C@H]1N(C)C(=O)OC(C)(C)C	2124377267	QCODCYZRURRFJQ-HUUCEWRRSA-N	364.442	2.233	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)CCCCc3cnn[nH]3)CC2)cc1	1630992814	XRYBJAGVXNUXTN-UHFFFAOYSA-N	357.458	2.265	10	10	FECE	
C[C@](CO)(Cn1cnc2ccccc21)NC(=O)/C=C/c1ccc(O)c(O)c1	1637372296	VHSRVXUEPRTJSI-FHVRUZERSA-N	367.405	2.028	10	10	FECE	
Cc1nc(COc2cccc(C(=O)NCc3cc(O)ccc3O)c2)no1	1644753731	HFIBAEHXECLOKU-UHFFFAOYSA-N	355.350	2.298	10	10	FECE	
CCN(CCO)C(=O)CN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S	16921786	ZUVMCUZHQUXDDX-UVTDQMKNSA-N	364.492	2.037	10	10	FECE	
COc1ccc(N(C)C2(CN)CN(C(=O)OCc3ccccc3)C2)cc1	1979564093	NLBVUTZGPYDYPS-UHFFFAOYSA-N	355.438	2.481	10	10	FECE	
CN(C)c1ccc(CN[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2O)cc1	1997765269	GUVQJEQQVCOBTL-PMACEKPBSA-N	369.465	2.224	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@H](NCc2ccc(O)cc2O)CCO1	2036667410	MEHMNFIMHMHDQB-UKRRQHHQSA-N	352.431	2.260	10	10	FECE	
CNCc1ccc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c(Br)c1	2170654596	XXYUNCYWIFPPPK-GHMZBOCLSA-N	363.321	2.426	10	10	FECE	
COCC1(NCc2cc(OC)ccc2O)CN(C(=O)OC(C)(C)C)C1	2070571305	OWIQFMCEJJLFAK-UHFFFAOYSA-N	352.431	2.126	10	10	FECE	
COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccccc1O	2072481767	KTGCQIFSEARUDK-RISCZKNCSA-N	354.403	2.041	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](NCc2ccc(F)cc2O)C1	2084176500	QYLKVNFKFXQBRZ-ZFWWWQNUSA-N	354.422	2.239	10	10	FECE	
Nc1ccc(O)c(CN2CC[C@](CNC(=O)C(F)(F)F)(C3CC3)C2)c1	2106745516	QYUCOTNCDWFDCY-MRXNPFEDSA-N	357.376	2.255	10	10	FECE	
C[C@H]1CCN(CC(=O)Nc2ccc(N)cc2)C[C@H]1NC(=O)OC(C)(C)C	2106754283	OIDPQLITZVNSPQ-XJKSGUPXSA-N	362.474	2.442	10	10	FECE	
C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)CCc2ccc(N)cc2)C1	2106718890	BJMMWMOONBIMTP-FZMZJTMJSA-N	357.376	2.117	10	10	FECE	
CN(C)c1ccc([C@H](N)[C@@](C)(O)COCCNC(=O)OC(C)(C)C)cc1	2106852876	KPZSMYRSJIAKTJ-LPHOPBHVSA-N	367.490	2.045	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-])[C@@H]1CCOC1	2218739330	FNGGLGQJNGSPAE-LPWJVIDDSA-N	353.423	2.264	10	10	FECE	
Cn1c(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])cnc1CNC(=O)OC(C)(C)C	2225793109	SREPMNAWEWFSAO-MNOVXSKESA-N	363.422	2.406	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C[C@H]2CC[C@H]1C2	2256568154	QLKMWHVBQHIWRS-ZSMSVSEMSA-N	350.459	2.336	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(CCC(=O)Nc1ccc(N)cc1)C2	2288278242	BGCRIKBBUHQWCS-JLTOFOAXSA-N	374.485	2.444	10	10	FECE	
CN(C(=O)C=Cc1cncc(F)c1)c1ccc(S(=O)(=O)N(C)C)cc1	2312233095	CDZMYBDVIUWNHU-UHFFFAOYSA-N	363.414	2.147	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])CO1	2312333877	DOKHNVPSMTZDND-LOWDOPEQSA-N	353.423	2.264	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C1(C(=O)O)CN(C(=O)OC(C)(C)C)C1	2322160852	DXBIALPXRAVCAG-LBPRGKRZSA-N	350.415	2.459	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@](N)(c2ccc3c(c2)CCN3C)C1	2344479684	DSBVLUHPJILECB-OXQOHEQNSA-N	361.486	2.489	10	10	FECE	
CN[C@H](c1ccccc1O)[C@@H](O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	2344660477	QWKCGELPBJENMG-XOKHGSTOSA-N	366.458	2.040	10	10	FECE	
COC(=O)c1ccc(Cl)c(S(=O)(=O)NCCc2ccc(N)cc2)c1	171531775	OKNOXQHQGQTAQE-UHFFFAOYSA-N	368.842	2.230	10	10	FECE	
COc1ccc(-n2nnc(C(=O)NCCc3ccc(N)cc3)c2C)cc1	179042361	PPAHRMHOKCUQKV-UHFFFAOYSA-N	351.410	2.139	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3N)CC2)cc1	68509800	BFKLSFHNLMHPDT-UHFFFAOYSA-N	370.409	2.456	10	10	FECE	
CN(CCN(C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1ccccc1	301685131	LDZSIWSMUILCKD-UHFFFAOYSA-N	356.382	2.498	10	10	FECE	
Cn1ncc2c(O)c(C(=O)NCc3ccc(N4CCCC4)cc3)cnc21	181784197	XWBMZDHMIGUWNB-UHFFFAOYSA-N	351.410	2.204	10	10	FECE	
CCOC(=O)c1nn(C)cc1CN(Cc1ccccc1O)C[C@@H]1CCCO1	186157955	GTRNJJHIJKFHMI-KRWDZBQOSA-N	373.453	2.484	10	10	FECE	
COc1cc(O)c(CN2CCC(c3nc(N(C)C)no3)CC2)cc1OC	191907987	QLJFCPLMYFTCQY-UHFFFAOYSA-N	362.430	2.238	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)/C=C\c2ccc(N3CCOCC3)cc2)CN1C1CC1	255530015	XZFZZLIGSSMNID-KIHWAWPXSA-N	355.482	2.278	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC[C@H](Cn3ccnn3)C2)c([N+](=O)[O-])c1	255919730	MKOVEIKVCUNFJM-PKYBCLHXSA-N	371.397	2.289	10	10	FECE	
Cc1nn(C)cc1[C@H](C)NC(=O)/C=C\c1ccc(N2CCOCC2)cc1	254950873	VAIQYWMYDNREOA-AJHXJQRKSA-N	354.454	2.456	10	10	FECE	
O=C(NCCCc1ccccn1)NCc1ccc(N2CCOCC2)cc1	269470191	LCQRVIYWEYKRQN-UHFFFAOYSA-N	354.454	2.350	10	10	FECE	
CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)NCc1ccc(N2CCCC2)cc1	284118321	TVEFYGVVILDABJ-SJLPKXTDSA-N	363.502	2.244	10	10	FECE	
Cc1ccc(CN(C)C(=O)[C@H](N)C(F)(F)F)c(O)c1Br	2381131176	JWABAMQZFAWDAL-JTQLQIEISA-N	355.154	2.311	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCC(=O)Nc3ccccc32)cc1	298786339	YCOJQUUIJNMLCG-UHFFFAOYSA-N	352.438	2.218	10	10	FECE	
CC(=O)C(=O)COC(=O)c1cc(Cl)ccc1I	808503343	AMUYEVAOKYSIHJ-UHFFFAOYSA-N	366.538	2.260	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3CC4(CN(C)C(=O)O4)C3)c2C)cc1	817655611	NETOWJLGJAZUBC-UHFFFAOYSA-N	369.421	2.379	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(N2CCC2)nc1	822720765	KENYLRAKUNPTJP-UHFFFAOYSA-N	352.438	2.058	10	10	FECE	
COc1ccc(N2CCN(c3nccc(-c4cnccn4)n3)CC2)cc1F	827739103	JRIIQGRJCIIWHG-UHFFFAOYSA-N	366.400	2.408	10	10	FECE	
C[C@@]1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCCS1(=O)=O	908212519	QBACRRBSUSKOEA-ZDUSSCGKSA-N	352.239	2.283	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NC2CC(CC(N)=O)C2)c1O	903253061	HZLRHSHOOXEILJ-FKTRJACZSA-N	357.248	2.468	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)N[C@H]1CCn2ccnc21	836525644	YWWWSXNSFDJJJK-NSHDSACASA-N	351.204	2.295	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F	837784354	RMEYURPFBHKWBL-AWEZNQCLSA-N	371.336	2.232	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@@H]3CCn4ccnc43)CC2)cc1	836515449	FMAHTSZUMYAFIF-QGZVFWFLSA-N	355.442	2.258	10	10	FECE	
COC(=O)c1cn([C@H]2CCCN(C/C=C\c3ccc(N(C)C)cc3)C2)nn1	835047723	VBRADESNONWRID-SUZKBHRPSA-N	369.469	2.481	10	10	FECE	
Cc1cc(C(=O)CN2CN(C)C(=O)[C@@H]2C)c(C)n1-c1ccc(Cl)cn1	830798793	RRIWBIVZBUONKT-ZDUSSCGKSA-N	360.845	2.445	10	10	FECE	
C[C@H](NC(=O)NCc1cc(Br)ccc1O)[C@H]1CCCNC1	841926369	GPUXBFROPOLOAF-QWRGUYRKSA-N	356.264	2.342	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)c1	847406563	LRQPBSQSCKMOSL-XQLPTFJDSA-N	365.474	2.259	10	10	FECE	
CCN1CCN(c2ccc(CNCc3cnn4c3CCC4)cc2F)CC1	850125473	GQGGYKOKPIEUNG-UHFFFAOYSA-N	357.477	2.400	10	10	FECE	
COc1cc(Br)cc([C@H](C)N[C@H](C)C(=O)N(C)OC)c1O	858589178	ZXTSJFWSFQHCDI-DTWKUNHWSA-N	361.236	2.222	10	10	FECE	
CC[C@H](CN1CCCC1)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	853854868	VHXTVFOMDMKSHG-IAGOWNOFSA-N	360.502	2.448	10	10	FECE	
COC(=O)c1[nH]c(C)c(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1C	855233884	ONQKQTRNYWLWDP-AWEZNQCLSA-N	371.437	2.435	10	10	FECE	
CC(C)[C@H](NCC(F)(F)F)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	852792525	YBTOYRBWJQQPSN-CABCVRRESA-N	360.424	2.045	10	10	FECE	
Cc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)nc(C)n1	755372915	XRDGRAWMUPUQEC-UHFFFAOYSA-N	354.454	2.232	10	10	FECE	
CO[C@@H](C(=O)NCc1cccc(Br)c1O)C(=O)OC(C)(C)C	867830893	KTABJMCHNDJMQV-LBPRGKRZSA-N	374.231	2.128	10	10	FECE	
C[C@H](NCC(C)(C)CS(N)(=O)=O)c1cc(Br)ccc1O	866571437	XVBATJAANZVFRE-VIFPVBQESA-N	365.293	2.120	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)Nc1nncs1	768390118	CFHLRPYAZSKZSM-UHFFFAOYSA-N	372.498	2.392	10	10	FECE	
COC(=O)[C@@H]1CO[C@H](CCC(=O)NCCCSc2nccs2)C1	874466096	CQBMOOIYMLUYDP-NWDGAFQWSA-N	358.485	2.100	10	10	FECE	
Cn1cc(N2CC[C@H](NC(=O)c3cc4cc(O)c(O)cc4s3)C2)cn1	1119523642	ZLCAGTNATIVXOO-NSHDSACASA-N	358.423	2.055	10	10	FECE	
Nc1ccc(CC(=O)N2CC[C@@]3(CN(Cc4ccccc4)CCO3)C2)cc1	717633734	ULPOXOHEDHIHED-JOCHJYFZSA-N	365.477	2.315	10	10	FECE	
C[C@@H](NC(=O)CCCn1cnc2c(N)ncnc21)c1ccc(N(C)C)cc1	1154669162	SPUUGYFHDRGYRC-CYBMUJFWSA-N	367.457	2.132	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2124533200	BLIBEWXWNBJSNV-CHWSQXEVSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2124509649	OOSTUQUMINJEGU-GDZNZVCISA-N	365.434	2.314	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NCc3ccc(F)c(F)c3O)[C@H]2C1	2121658732	WPBRLRAZPOOFEE-BNOWGMLFSA-N	370.396	2.394	10	10	FECE	
CN(C(=O)c1cc(O)c(O)c(O)c1)C1CCN(C(=O)OC(C)(C)C)CC1	2132392176	FDRVQEOGKKRKBF-UHFFFAOYSA-N	366.414	2.275	10	10	FECE	
COC[C@]1(C)CN(c2nnc(-c3sccc3O)n2CC2CC2)CCO1	1345201447	IJZYIONFCCFXHT-KRWDZBQOSA-N	364.471	2.364	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N[C@H](Cn1ccccc1=O)c1ccccc1	1296961905	KRIAWNIKBLVIQQ-QGZVFWFLSA-N	364.401	2.360	10	10	FECE	
Nc1ncnc2sc3c(c12)CCN(C(=O)/C=C\c1ccc(O)c(O)c1)C3	1466760430	LHEOEIWQUVZDND-RQOWECAXSA-N	368.418	2.283	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1c1ccco1	1466674287	OVDGQDLWPPSRNB-MCIONIFRSA-N	359.378	2.085	10	10	FECE	
COc1ccc(O)c([C@H](C)N[C@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c1	1918713129	CNIHKILRSQKGOS-QWHCGFSZSA-N	366.458	2.422	10	10	FECE	
Cc1c[nH]cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1=O	1610016834	GKASVXYFZVRMTH-ZIAGYGMSSA-N	373.428	2.366	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@@H]1CCCN(C(=O)c2ccccc2)C1	1558174188	GYJHRWAPDFOACG-OAHLLOKOSA-N	354.406	2.266	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CN(C(=O)c1ccc(O)c(O)c1)C2	2136547780	BOWIQDUPINENHG-YJYMSZOUSA-N	362.426	2.475	10	10	FECE	
COc1ccc(N2CCCN(C(=O)c3ccncc3NC(C)=O)CC2)cc1	1625248582	JWCNHQCCFLKTOA-UHFFFAOYSA-N	368.437	2.401	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(Nc2nn[nH]n2)c1	1556515956	TUCPKSPQXOXPBV-UHFFFAOYSA-N	359.386	2.065	10	10	FECE	
O=C1CCC(=O)N(c2ccc(C(=O)NCc3cc(Cl)ccc3O)cc2)N1	1557385811	JYQFPCWRLMJIML-UHFFFAOYSA-N	373.796	2.134	10	10	FECE	
Cc1cc2nccc(NC(=O)c3ccc(C4=S=C(C=O)C=C4)cc3)n2n1	1633943326	SYTTWDLUDPOLED-UHFFFAOYSA-N	362.414	2.485	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc(-c2ccccn2)nc1	1632681832	WAYNWFDJCJLCDH-GFCCVEGCSA-N	350.378	2.311	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCN([S@@](C)(=N)=O)CC2)cc1	1633978218	WPNZDWRQEFDAON-RUZDIDTESA-N	360.483	2.444	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N2CCN(OC)CC2)CCCC1	1569022128	XRBKQQSCQUHZIO-UHFFFAOYSA-N	357.454	2.234	10	10	FECE	
COCCN1CCC(CNC(=O)NCCCSc2nccs2)CC1	153389535	ICXZJPUBFMKPNE-UHFFFAOYSA-N	372.560	2.283	10	10	FECE	
O=S1(=O)CC[C@]2(CCCN2Cc2cc(Br)ccc2O)C1	2158459099	XBZZJTQYOKVRLE-CQSZACIVSA-N	360.273	2.308	10	10	FECE	
CC(C)[C@@H](CNC(=O)COc1ccc(N)cc1)NC(=O)OC(C)(C)C	2044209619	GUFMRQLQNQIWST-OAHLLOKOSA-N	351.447	2.313	10	10	FECE	
C[C@@H]1COC[C@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])N1C(=O)OC(C)(C)C	2060620444	AKSVWDDBPABUFE-FRRDWIJNSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2067793696	YEUDZYBVICSWDT-OLZOCXBDSA-N	355.439	2.059	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNCc2ccc(F)cc2O)C1	2084168542	NWHAZLOOEUNNMQ-HNNXBMFYSA-N	353.438	2.172	10	10	FECE	
C[C@@H](CCS(C)(=O)=O)N(C)Cc1ccc(Br)cc1O	2104455682	HAFKDYAMBICQIX-JTQLQIEISA-N	350.278	2.410	10	10	FECE	
C[C@@](O)(CNC(=O)C=Cc1ccc(N2CCOCC2)cc1)c1ccco1	2297825030	ULCXFFQKFUWQIZ-HXUWFJFHSA-N	356.422	2.153	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CCO[C@H]2C[C@@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2331228041	GFUNHQIYNZQKEU-RQJABVFESA-N	365.434	2.455	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1[C@@H]2C[C@@H]2CN1CC(=O)Nc1ccc(N)cc1	2332560229	NZOYRKHOCHBIDA-WQVCFCJDSA-N	360.458	2.052	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N[C@@H]3CCC[C@@H](C(N)=O)C3)CC2)cc1	172578420	IGHWCNGDWHLASU-GDBMZVCRSA-N	374.485	2.007	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCCC[C@@H]2CN2CCOCC2)cc1	111425397	MCOSCLOUUKKDPD-LJQANCHMSA-N	360.502	2.149	10	10	FECE	
Oc1c(Br)cccc1CN1CCO[C@H](Cn2cccn2)C1	122257036	MROOLMGRXDGDHT-ZDUSSCGKSA-N	352.232	2.252	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(CCC(C)C)C3)CC2)cc1	243860838	RJCIWQUIHZVAIA-KRWDZBQOSA-N	373.497	2.238	10	10	FECE	
C[C@H](NC(=O)C(=O)NCCCC1CC1)c1ccc(N2CCOCC2)cc1	803308728	IXIBPCGDYDBJOQ-HNNXBMFYSA-N	359.470	2.007	10	10	FECE	
CCn1cc([N+](=O)[O-])c(C(=O)NCc2cc(Br)ccc2O)n1	804741044	SAVUQZNLRPAFKK-UHFFFAOYSA-N	369.175	2.209	10	10	FECE	
COc1cccc(O)c1CN[C@H]1COC2(C1)CN(C(=O)OC(C)(C)C)C2	827066194	PMRXPSKTBKVVMF-CYBMUJFWSA-N	364.442	2.269	10	10	FECE	
Nc1cc(F)ccc1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	905933720	LMOFRHOLPGHXIA-UHFFFAOYSA-N	365.355	2.453	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)N[C@@H]3CC34CC4)CC2)cc1	823862671	WEKXEASVXHOPJJ-GOSISDBHSA-N	358.486	2.059	10	10	FECE	
C[C@@H]1COCC[C@@H]1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	837708648	AYDLROTUPOETCI-OCCSQVGLSA-N	354.397	2.090	10	10	FECE	
Oc1ccccc1CN(Cc1cnnn1[C@@H]1CCCNC1)C[C@H]1CCCO1	903905637	KOMUOPZMNWXGKX-IEBWSBKVSA-N	371.485	2.089	10	10	FECE	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H]2CC[C@H]2C(=O)O)cc1	901604987	HODZTMUXFUZJKI-KZNAEPCWSA-N	360.454	2.371	10	10	FECE	
C[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1	839348103	JFJBVQRUWHFCKA-IAGOWNOFSA-N	373.497	2.129	10	10	FECE	
CN(C)c1ccc(/C=C\CN[C@H]2CCCN(Cc3nccn3C)C2=O)cc1	835048416	RIUANEGYAZHFOO-UTSMFGRCSA-N	367.497	2.280	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)[C@H](O)c3ccccc3OC)C2)cc1	911277036	RKPHDHFWMCEBMY-MGPUTAFESA-N	370.449	2.380	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCOC[C@@H]1c1ccnn1C	844991002	NRYLBLNLEAVCQH-GOSISDBHSA-N	357.458	2.078	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC3CCC(NC(C)=O)CC3)C2)cc1	852038714	HSJIKENVINZCNW-JCYILVPMSA-N	374.485	2.020	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CCC(=O)NC3CCCC3)C2)cc1	855233858	OCUPFTXEUXCADW-INIZCTEOSA-N	359.470	2.229	10	10	FECE	
Cc1cnc(F)c(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1	864953734	IBMBEBNEYWOHIU-OAHLLOKOSA-N	370.428	2.161	10	10	FECE	
O=S1(=O)CCN(Cc2ccc(N3CCOCC3)cc2)[C@@H]2CCCC[C@@H]21	769415363	YZGBXQXEYMKNKH-MOPGFXCFSA-N	364.511	2.065	10	10	FECE	
CCOC1CC2(C1)C[C@@H]2C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	869934076	RUSYHJOWWDWRQZ-IDYZSHNDSA-N	374.481	2.459	10	10	FECE	
CN(C)C(=O)O[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1	897878982	DFGRJHDJACRGOU-JTQLQIEISA-N	350.396	2.225	10	10	FECE	
O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)NCc1ccccc1O	1137471710	XPURTMONOXEERL-UHFFFAOYSA-N	354.193	2.140	10	10	FECE	
Cc1nn(Cc2ccccc2)c(N)c1C(=O)NCc1cccc(O)c1O	1153798646	UJWWTPNCNPTQLD-UHFFFAOYSA-N	352.394	2.163	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)c3ccccn3)cc2)CC1	1154270950	FZRGNELERVZNEG-INIZCTEOSA-N	366.465	2.170	10	10	FECE	
CCC[C@@H](O)[C@H](CO)NC(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2	1299166996	QMBKRZQFFDMWOB-FXAWDEMLSA-N	374.481	2.167	10	10	FECE	
CN(C)c1ccc(CNC(=O)[C@@]2(N(C)C)COc3ccccc3C2)cc1	1539050425	SBZSDBLYUWQLBC-NRFANRHFSA-N	353.466	2.304	10	10	FECE	
O=C(NCc1c(O)ccc2c1CCCC2)c1[nH]nc([N+](=O)[O-])c1Cl	1545639473	PZZQZQHYKLKUOX-UHFFFAOYSA-N	350.762	2.486	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)c1cc(S(N)(=O)=O)sc1C	1622319387	HKJQRDHGZIDADX-UHFFFAOYSA-N	368.480	2.462	10	10	FECE	
CN(Cc1ccccc1O)C(=O)NCc1ncc(Br)cn1	1565440453	QSDDPYAFILDZQX-UHFFFAOYSA-N	351.204	2.286	10	10	FECE	
C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(F)cc1)c1ccccc1O	1635799072	NWBBIGYKQLYBMI-LBPRGKRZSA-N	366.414	2.077	10	10	FECE	
C[C@@H](NC(=O)c1cc(Cl)sc1S(N)(=O)=O)c1ccccc1O	1648890007	WEMZVVIJBYNJMV-SSDOTTSWSA-N	360.844	2.246	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1(C)C	2132401227	SHZXJFQDTNTMLH-ZDUSSCGKSA-N	366.414	2.321	10	10	FECE	
CCN[C@H](c1ccccc1O)[C@@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	2136027334	JAZAADZNEZXSCM-BBWFWOEESA-N	366.458	2.040	10	10	FECE	
COc1ccc(N(C)C(=O)C2=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)cc1	2136291184	VEIYUPDRBZABPB-JKSUJKDBSA-N	362.426	2.242	10	10	FECE	
CN(C(=O)CN1CC2CC1(CNC(=O)OC(C)(C)C)C2)c1ccc(N)cc1	2163046300	WLQWSHNUZKAYON-UHFFFAOYSA-N	374.485	2.221	10	10	FECE	
CN(CC(=O)NCC(F)(F)F)c1ccc(CN)c(Br)c1	2172209995	AFGDYVKWPKLQFM-UHFFFAOYSA-N	354.170	2.023	10	10	FECE	
COc1cccc(CNCC2(CNC(=O)OC(C)(C)C)COC2)c1O	2056738490	AMKPBXKIJQLPCG-UHFFFAOYSA-N	352.431	2.032	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)NCCN=[N+]=[N-])[C@@H]2CCO[C@@H]2C1(C)C	2060619856	RXNXIJGVGRZYLI-GDLVEWKHSA-N	353.423	2.121	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2060638626	ZGVXGWWWCPJLAB-JHJVBQTASA-N	353.423	2.218	10	10	FECE	
CN(C(=O)CN1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1)c1ccc(N)cc1	2188876777	CRHLWVFBERXPHA-RXVVDRJESA-N	364.493	2.438	10	10	FECE	
CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCOc2ccc(N)cc2)C1	2078124985	NWBIEUVQFYHWJO-OAHLLOKOSA-N	370.471	2.072	10	10	FECE	
COc1cc(N)c(N2CC[C@@H](C)[C@H](NC(=O)C(F)(F)F)C2)cc1OC	2106840053	YLHOXHUKDOEKSR-MWLCHTKSSA-N	361.364	2.179	10	10	FECE	
C[C@H](NCCc1ccc(O)c(O)c1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	2091761606	ZMHZBELHIVAVFG-SUMWQHHRSA-N	366.458	2.254	10	10	FECE	
CO[C@H]1C[C@H](C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2218738493	PQYZCAAHIOQGKY-QNWHQSFQSA-N	353.423	2.358	10	10	FECE	
CN(C(=O)c1c[nH]nc1CCNC(=O)OC(C)(C)C)c1ccc(O)cc1	2227007016	TVLYMLFJOBZQJS-UHFFFAOYSA-N	360.414	2.459	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2264503729	IYDUASQGADOEML-MJBXVCDLSA-N	367.450	2.296	10	10	FECE	
CN(Cc1ccccc1O)C1(C(=O)O)CC(NC(=O)OC(C)(C)C)C1	2322800139	IKBDYYOEYKZTAQ-UHFFFAOYSA-N	350.415	2.335	10	10	FECE	
CC(C)(C)OC(=O)N1CC(F)(F)[C@@](C)(NC(=O)c2ccc(O)c(O)c2)C1	2336521112	UBQMRMNYAWFAIN-INIZCTEOSA-N	372.368	2.472	10	10	FECE	
C[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]1(NCc1ccc2c(c1)CCO2)C(=O)O	2351451984	WHBPBTUWFKPIIC-BUXKBTBVSA-N	362.426	2.174	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cccc(-c4ncn[nH]4)c3)CC2)cc1	179972281	ALIQUMOEXIQRID-UHFFFAOYSA-N	363.421	2.443	10	10	FECE	
COc1ccc(O)c(CNC(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)c1	128508232	YSVXAHLTXNCMSW-CQSZACIVSA-N	359.430	2.450	10	10	FECE	
C[C@H](N[C@H](C)CCS(C)(=O)=O)c1ccc(N2CCC(O)CC2)cc1	127131685	VLFDMDJSNOCOIK-CABCVRRESA-N	354.516	2.122	10	10	FECE	
COc1ccc(N2CCN(c3ncnc(N4CCCCC4)c3N)CC2)cc1	40724633	MWMTULTUOLVBHU-UHFFFAOYSA-N	368.485	2.384	10	10	FECE	
CC(C)n1cnnc1CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1	255105883	KIQNDVVMDRRVOJ-YVMONPNESA-N	355.442	2.025	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCCCC(N)=O)C1	562538991	VTBSBBDIGFULJR-UHFFFAOYSA-N	370.497	2.180	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3Nc1c(N)cccc1C(N)=O	2169563155	VVGHRWOCRIRRGJ-ODIJDICJSA-N	372.469	2.424	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)c3cnn(C)c3SC)C2)cc1	819587055	DKHYQBZDHJJEMI-ZDUSSCGKSA-N	360.483	2.407	10	10	FECE	
O=C(Nc1cccc(N2CCOCC2)c1)c1ccccc1Cn1ccnn1	822942679	OAJWNOXWUYFEPC-UHFFFAOYSA-N	363.421	2.415	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)cc1	902898930	YCNGYRWIQJCWKS-BEFAXECRSA-N	360.458	2.173	10	10	FECE	
CN(C)c1ccc(/C=C/CNCCc2ccc(S(N)(=O)=O)cc2)cc1	835042152	DODKHXOQJVHHRQ-ONEGZZNKSA-N	359.495	2.246	10	10	FECE	
COC(=O)c1cn([C@H]2CCN(C/C=C/c3ccc(N(C)C)cc3)C2)nn1	835044382	BQDXTRQJQBRYHG-BDUNBXCCSA-N	355.442	2.091	10	10	FECE	
CCOCn1nc(C)c(C[C@H](C)C(=O)NCc2ccc(O)cc2O)c1C	910944046	JUOFYYSFWZHSFZ-LBPRGKRZSA-N	361.442	2.400	10	10	FECE	
O=C(O)c1cnn2c(O)cc(CN(C[C@H]3CCCO3)C3CCCC3)nc12	846252839	FJBDRGHHVYNCMG-CQSZACIVSA-N	360.414	2.057	10	10	FECE	
C[C@H](NC(=O)N[C@H]1CCC[C@@H](CO)C1)c1ccc(N2CCOCC2)cc1	840271857	PWIAWCMOACSCCJ-JZXOWHBKSA-N	361.486	2.435	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(-c2ncccn2)n1C[C@@H]1CCCO1	841790629	HPTIGEQUYWYMIM-HNNXBMFYSA-N	366.425	2.256	10	10	FECE	
CCc1noc(CCCC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)n1	855232165	OSSBMTJAPBIBGH-AWEZNQCLSA-N	358.442	2.358	10	10	FECE	
CO[C@H](Cc1ccccc1)CS(=O)(=O)NCc1c(O)cccc1F	921450951	HXBSKYUFXVSWSN-CQSZACIVSA-N	353.415	2.208	10	10	FECE	
CN(C)c1ccc(CNC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)cc1	853244372	JXBSJBMUKGTPCP-QGZVFWFLSA-N	352.438	2.140	10	10	FECE	
CS(=O)(=O)c1ccc(/C=C/C(=O)NCCCSc2nccs2)o1	859352789	YDAWBBKDURJWEY-HWKANZROSA-N	372.493	2.451	10	10	FECE	
O=C(NCc1c(O)cccc1F)[C@H]1CSCN1C(=O)C1CCCC1	928711551	IPZICVBSLHEQEQ-CQSZACIVSA-N	352.431	2.239	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)CN3CCCCC3)C2)cc1	852181166	CVFYDCGTKMMBSF-IAGOWNOFSA-N	360.502	2.448	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN4CCCC[C@@H]34)C2)cc1	852060835	YIOJPQRFZMSAHW-IPELMVKDSA-N	358.486	2.200	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CCn4cc(C)nc4C3)CC2)cc1F	859965721	DXGXXHKYCMSWNC-OAHLLOKOSA-N	372.444	2.250	10	10	FECE	
CN1CCCc2cc(CN3C(=O)N[C@H](C[C@@H]4CCCOC4)C3=O)ccc21	863503219	ZEWIOFFBRCGLJS-DOTOQJQBSA-N	357.454	2.306	10	10	FECE	
COCCn1ncc(C(=O)N(C)CCN(C)c2ccc(OC)cc2)c1C	869142991	SMSWKTIPBPPTCM-UHFFFAOYSA-N	360.458	2.055	10	10	FECE	
CO[C@H](C)c1cccc(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1	785304582	QGXQQTKUGPELMN-CHWSQXEVSA-N	372.421	2.491	10	10	FECE	
O=C(NCC[C@@H]1CCC2(CCOCC2)CO1)c1c(F)ccc(O)c1O	899454132	GSIGPGZNXBAZLT-LBPRGKRZSA-N	353.390	2.333	10	10	FECE	
COc1ccc(N2CCN(CN3C[C@H](C(F)F)CC3=O)CC2)cc1F	795433480	APDLGJOIAZGHEL-GFCCVEGCSA-N	357.376	2.027	10	10	FECE	
COc1cccc(/C=C2\C(=O)NC(=O)N(CCc3ccccc3)C2=O)c1	1084572911	KOHGEXNKXQTOAE-GHRIWEEISA-N	350.374	2.400	10	10	FECE	
CC[C@@H]1CN([C@H](CC)C(=O)N[C@@H](C)c2cc(OC)ccc2O)CCO1	1150543572	PUPVEHFLSJZZGM-JJRVBVJISA-N	350.459	2.467	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H](N3CCCCC3=O)C2)cc1	1170336433	YMRRDJISTAPRCJ-OAHLLOKOSA-N	357.414	2.466	10	10	FECE	
O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1Cc2cccnc2C1	1517400299	XWXXNFNMAZSMJJ-GFCCVEGCSA-N	360.797	2.269	10	10	FECE	
CCOC(=O)N1CSC[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C	1292214717	XGWOMJDWUWNEFF-INIZCTEOSA-N	363.483	2.217	10	10	FECE	
COc1ccc(O)c(CN[C@@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1	2121673689	RYIXIMIWBDSLDS-ZMSDIMECSA-N	364.442	2.125	10	10	FECE	
CC[C@@H]1CN(C)CCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1479532286	AWPDFIQLIZTQHA-IEBWSBKVSA-N	361.534	2.091	10	10	FECE	
COC1CCN(c2ccc(CN3CCC4(CC3)CNC(=O)C4)cc2)CC1	1615727666	CBORZYPARSDQKW-UHFFFAOYSA-N	357.498	2.404	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCC(=O)N1CCC(O)CC1	1624626082	KWTPYCZZDWUWLL-UHFFFAOYSA-N	373.497	2.009	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1	2124541099	OOFIAIZUPIJSNR-PBFPGSCMSA-N	365.434	2.029	10	10	FECE	
C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1nnc(O)n1C	1565377653	WPSDBLCNMAXQPE-ZCFIWIBFSA-N	360.201	2.094	10	10	FECE	
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)Cc1ccc(O)c(O)c1	1588078529	FJRNXLZNBKCOCY-UHFFFAOYSA-N	364.348	2.406	10	10	FECE	
CSc1ncc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(O)n1	1583676816	QYWLWKDNUSYBPR-LBPRGKRZSA-N	374.466	2.232	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CCN(Cc3ccnn3C)CC2)c1O	1656534927	BOPVSBDNWMNNDD-UHFFFAOYSA-N	362.861	2.300	10	10	FECE	
COc1ccc(CNC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)cc1C	1666760092	VRIBXYCRZBAGPE-HZPDHXFCSA-N	361.442	2.187	10	10	FECE	
CN1CCN(Cc2cccc(NC(=O)Cc3ccc(O)c(O)c3)c2)CC1	1597396561	BTICXZKNXDJAAJ-UHFFFAOYSA-N	355.438	2.026	10	10	FECE	
CCN1CCN(CCCN[C@H](C)c2ccc(N3CCC(O)CC3)cc2)CC1	154221588	JQHSOTMYFOWNLN-LJQANCHMSA-N	374.573	2.326	10	10	FECE	
COc1ccc2c(c1)c(/C=C1/SC(=S)N(CC(=O)O)C1=O)cn2C	1858588479	HPKYMTAKVCJCOB-WLRTZDKTSA-N	362.432	2.473	10	10	FECE	
O=C1CSC(=S)N1CCC(=O)N(c1ccc([N+](=O)[O-])cc1)C1CC1	1865765872	OMZFPPOHBSSIMJ-UHFFFAOYSA-N	365.436	2.341	10	10	FECE	
COc1cccc2c1C(=O)c1c(O)cc3c(c1C2=O)C(=O)C[C@@](C)(O)C3	14764885	LQIPGPPZCXJWKY-FQEVSTJZSA-N	352.342	2.056	10	10	FECE	biogenic,in-vitro
CN(C)c1ccc([C@@](C)(O)[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1	1917208893	JXUGSYSOCAMGNI-YLJYHZDGSA-N	372.421	2.340	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C	1968788484	FGFKPJUGKCLQPH-HIFRSBDPSA-N	365.474	2.367	10	10	FECE	
CCN[C@H](c1ccccc1O)[C@@H]1Cn2cnnc2CN1C(=O)OC(C)(C)C	2146242780	WPAHBHVSACFTLL-WMLDXEAASA-N	373.457	2.454	10	10	FECE	
Oc1ccc(CN[C@H]2CN(Cc3ccccc3)[C@@]3(CCOC3)C2)c(O)c1O	2154521878	XIINZGVHJKVFCY-UTKZUKDTSA-N	370.449	2.327	10	10	FECE	
C[C@@H](N[C@@H]1COCCN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1O	2034722624	ISNLAVZTWSTCPG-OLZOCXBDSA-N	352.431	2.384	10	10	FECE	
O=C(c1cccc(O)c1O)N1CCC[C@H]2CC[C@@]21CNC(=O)C(F)(F)F	2174800190	NCTSPCQWWHREQB-MGPLVRAMSA-N	372.343	2.161	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(F)ccc2O)[C@@H](CO)C1	2052710913	FZKMQCFFQVQDBD-UKRRQHHQSA-N	354.422	2.239	10	10	FECE	
CCOC(=O)c1cccc(N)c1N[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C	2108845414	IHUXDAWOPOVEKR-KBPBESRZSA-N	365.430	2.150	10	10	FECE	
O=S1(=O)C[C@H]2CCC[C@@]2(NCc2cc(Br)ccc2O)C1	2201867084	OXJDVFRKJRUOLW-BXUZGUMPSA-N	360.273	2.212	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(CC(=O)Nc1ccc(N)cc1)C2	2272657570	PGXILZIRSYHYMM-YJYMSZOUSA-N	360.458	2.054	10	10	FECE	
CS(=O)(=O)CCC1CC(NCc2ccc(Br)cc2O)C1	2233939140	BOLPSVOGXSKWBY-UHFFFAOYSA-N	362.289	2.458	10	10	FECE	
COc1ccc(N(C)CC2(O)CN(C(=O)OC(C)(C)C)C2)c(F)c1F	2259114547	SBWMYXCPKYVUKH-UHFFFAOYSA-N	358.385	2.391	10	10	FECE	
COC(=O)[C@@H](C)N1C(=O)C(=Cc2ccc(C(=O)O)cc2)SC1=S	2293308617	IUIGRXPPGWDYGK-MRVPVSSYSA-N	351.405	2.148	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NCc3c(O)cccc3F)CO[C@@H]1C2	2312833546	AXPQAVHMNZJUTH-SIIHOXLZSA-N	352.406	2.446	10	10	FECE	
CN(C)c1ccc([C@@H](O)c2cc(I)nn2C)cc1	2314202710	RDJQSNIFKCPDPG-CYBMUJFWSA-N	357.195	2.172	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12C[C@H](C1)[C@H](C(=O)NCCCN=[N+]=[N-])CO2	2320049338	AVTZCYVPEUNOAL-HSMVNMDESA-N	353.423	2.123	10	10	FECE	
COCC(=O)N1CCc2c(NCc3cc([N+](=O)[O-])ccc3O)cccc21	184131779	QVPPREWKPSLWDI-UHFFFAOYSA-N	357.366	2.448	10	10	FECE	
CC[C@H](C)NC(=O)C1(C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1	242832718	FRIFWLUKPRLOMN-HNNXBMFYSA-N	359.470	2.039	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CC[C@@]3(CNC(=O)C3)C2)cc1F	279371217	FAOMCWKQQZLORY-LJQANCHMSA-N	362.449	2.094	10	10	FECE	
Cc1ccc(CN2CC[C@@H](CS(C)(=O)=O)C2)c(O)c1Br	2380709616	YUOKAPGSTZWOFW-LLVKDONJSA-N	362.289	2.330	10	10	FECE	
Cc1ccc(CN(C)S(=O)(=O)N(C)C(C)C)c(O)c1Br	2380724841	DNLCALXVTRGOSN-UHFFFAOYSA-N	365.293	2.480	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCC[C@@H]2CCOC2)cc1	807325737	JSXWFXVVKRDMPV-QGZVFWFLSA-N	361.486	2.034	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCCc4n[nH]cc43)C2)cc1	819584671	OITPSQIEMFIWDB-PBHICJAKSA-N	354.454	2.481	10	10	FECE	
Cc1cc(C(=O)COC(=O)C(C)(C)O)c(C)n1-c1ccc2c(c1)OCO2	725934051	YNSZNJSHGIRYBV-UHFFFAOYSA-N	359.378	2.320	10	10	FECE	
Cc1cc(O)c(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1Cl	824548576	OZDRQDCXLLKKKX-CQSZACIVSA-N	352.862	2.425	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1	831930537	DQVBHGFVUCGOLF-UPRAQXHNSA-N	357.406	2.302	10	10	FECE	
CC1(C)Oc2ccsc2[C@@H](NC(=O)c2c(F)ccc(O)c2O)[C@@H]1O	839800619	XQAOZLHDZLVZOW-RISCZKNCSA-N	353.371	2.301	10	10	FECE	
CC[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@H](O)C(F)F	837882581	PUBMRVDEOREFOC-RCBQFDQVSA-N	371.428	2.288	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=S)NCCc3ccccn3)C2)cc1	849270800	PJFKJZSZEQIICL-INIZCTEOSA-N	356.495	2.376	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cn(C[C@@H]2CCOC2)nn1	858662339	ATHDSTGQMUMITQ-KRWDZBQOSA-N	371.485	2.431	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)c3cn(C)nc3C)C2)cc1	852051074	GSFUDBRRNNAEAG-DZGCQCFKSA-N	357.458	2.376	10	10	FECE	
CCCN1CC[C@H](CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	852186036	APHVLJBBTJXBNV-IAGOWNOFSA-N	360.502	2.305	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cccc([S@@](C)=O)c3)C2)cc1	855223680	CGERDAGJVKTMHS-ODCWNRFASA-N	358.463	2.441	10	10	FECE	
CCOc1cccc(CN2CCN(c3ccc(F)cc3C(N)=O)CC2)c1O	857067331	JZPIDOWSGFGSDA-UHFFFAOYSA-N	373.428	2.351	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCCS(=O)(=O)C[C@H]2C2CC2)c1O	933921036	AAQABLRTFNDSFK-INIZCTEOSA-N	355.431	2.133	10	10	FECE	
COc1ccc(N(Cc2cccs2)[C@H]2CCN(CC(=O)O)C2=O)cc1	852725797	OZBNVEOUJXFIBK-INIZCTEOSA-N	360.435	2.449	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)Cc3cc(C)[nH]n3)C2)cc1	852220778	XMDYDVKWGYXDKQ-ZFWWWQNUSA-N	357.458	2.236	10	10	FECE	
COC(=O)[C@H](CF)NC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1	861729534	YKQCIPOFJZMNNY-KRWDZBQOSA-N	360.385	2.076	10	10	FECE	
Cc1cc(C(=O)NCC(=O)N=S(C)(C)=O)c(C)n1-c1ccc(F)cc1	868954370	IDXHIBGADAMGLQ-UHFFFAOYSA-N	365.430	2.217	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H](OCc4ccccn4)C3)cc2N1	760249004	KHBVCXXFGHYGQW-CYBMUJFWSA-N	370.365	2.116	10	10	FECE	
O=C(NCCCSc1nccs1)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2CN1	861609248	GMSYBVHJCZDSKB-IGQOVBAYSA-N	352.529	2.265	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCCC12OCCO2	773725261	FJHJQGHKWILCCQ-SFHVURJKSA-N	360.454	2.025	10	10	FECE	
Cc1c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cccc1S(N)(=O)=O	775412272	VYQLKFWCVZCFEC-CYBMUJFWSA-N	361.467	2.199	10	10	FECE	
COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@H](C)C(C)C)CC2)cc1	778286843	BWYTUWAJJNFKFS-FVNWOWOISA-N	373.497	2.308	10	10	FECE	
C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)NCc1ccco1	1136514180	XHSLASHUSXBVDA-VIFPVBQESA-N	360.391	2.340	10	10	FECE	
CSc1cccc(N2C[C@H](C(=O)NCc3cc(O)ccc3O)CC2=O)c1	1153879127	GKMIUHIREVVFLW-CYBMUJFWSA-N	372.446	2.489	10	10	FECE	
O=C(CCn1cnc2ccccc2c1=O)NCc1cc(Cl)ccc1O	1300397707	AEPLOYCEYWVHMA-UHFFFAOYSA-N	357.797	2.462	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)CN(C)CCNC(=O)OC(C)(C)C	2124223770	UZLBSQRJSATTHS-CQSZACIVSA-N	365.474	2.368	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1(C)C	2124330092	MOXHRDKFCBKISC-LSDHHAIUSA-N	364.442	2.306	10	10	FECE	
CC1(C)[C@H](CNC(=O)C(=O)NCCCSc2nccs2)C1(F)F	1334084115	RVKZNOWWPZLGNR-VIFPVBQESA-N	363.455	2.149	10	10	FECE	
CC(C)(C)OC(=O)N1CC(n2nccc2NC(=O)c2cccc(O)c2O)C1	1456875582	FMZSRJMGPVMRRU-UHFFFAOYSA-N	374.397	2.338	10	10	FECE	
C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N(C)C(=O)[C@@H]1C[C@H]1C1CC1	1701201462	RCZPYJHWIWFKIU-KNXALSJPSA-N	371.441	2.472	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)[C@H](O)c1cccc(Br)c1	1545669401	ZEOKHISOBBRUOE-OAHLLOKOSA-N	366.211	2.253	10	10	FECE	
Cc1ccc(CN2CCO[C@H](CNC(=O)c3ccc(C)c(O)c3O)C2)cc1	1557977449	DOMBNHHZKYJXNE-QGZVFWFLSA-N	370.449	2.345	10	10	FECE	
Cc1csc(CC2(O)CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)n1	1629131535	FUERNPJTPLZHDW-UHFFFAOYSA-N	362.451	2.001	10	10	FECE	
Cc1cc(C(=O)NCc2ccc3cccnc3c2O)ccc1-n1cnnn1	1627069491	OJBFQTVGRLDVFL-UHFFFAOYSA-N	360.377	2.155	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)c2cc(F)cc3nn[nH]c23)N(C)C)cc1	1637004821	RGYUFGOPSCKJOW-KRWDZBQOSA-N	370.432	2.196	10	10	FECE	
C[C@@](O)(CSc1cccc(F)c1)C(=O)NCc1ccc(O)cc1O	1639444313	GUBVZAAECMOYHO-QGZVFWFLSA-N	351.399	2.396	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	1635843449	SIRSQQDJRZKJCA-UHFFFAOYSA-N	354.322	2.122	10	10	FECE	
COc1nsc(C(=O)NCc2cccc(O)c2O)c1Br	1643812272	BLQGXFUXTANYJE-UHFFFAOYSA-N	359.201	2.255	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1	1587771360	BFHIDYZFTBARMQ-UHFFFAOYSA-N	369.381	2.477	10	10	FECE	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cn1cnc(N)n1	1597567586	SLFGTEBWHNUZIU-CQSZACIVSA-N	351.410	2.356	10	10	FECE	
CCOC(=O)c1ccc(NC(=O)CCN2C(=O)[C@@H](C)SC2=S)cc1	11635956	JHJBXHFKHUAKHQ-SNVBAGLBSA-N	366.464	2.441	10	10	FECE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)O[C@H]1CCS(=O)(=O)C1	1889895152	QWVLOSVRDRZSSV-XIRDDKMYSA-N	364.467	2.089	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)C[C@H](O)CNC(=O)OC(C)(C)C	1968792384	RDDWUXOLWJDQDT-OLZOCXBDSA-N	352.431	2.187	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](CNCc2c(O)cccc2Cl)[C@@H](O)C1	702818668	KTPONOCTZUQUKU-NHYWBVRUSA-N	356.850	2.363	10	10	FECE	
C[C@H](C[S@](C)(=O)=NC(=O)c1cccc(O)c1O)NC(=O)OC(C)(C)C	2054418642	VHUMZTMHQTUZCJ-JUTIIYIPSA-N	372.443	2.249	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CCO[C@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060615711	RLHOJHVCCUGDRP-FRRDWIJNSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2073249907	GQBJZMXVSXZLFQ-CHWSQXEVSA-N	355.439	2.201	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(CC(=O)C(=O)C[C@H]2C[C@H](N)C2)C1	2086349838	HCPQFBXEEJAIJL-FORMXFIPSA-N	350.459	2.289	10	10	FECE	
CN(C)c1ccc([C@H](N)[C@@H](NC(=O)OC(C)(C)C)c2cn(C)nn2)cc1	2110394594	OWJPNPCLCQRHEF-HOTGVXAUSA-N	360.462	2.147	10	10	FECE	
CNC(=O)CN(Cc1ccccc1)c1ccc(OC)cc1CNCCOC	2235955779	VIISTBKUMKPDAD-UHFFFAOYSA-N	371.481	2.184	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC(C)(C)[C@@H]1C(=O)N1CC[C@H](N=[N+]=[N-])C1	2253907690	VZFOYZJQCXRFBH-RYUDHWBXSA-N	353.423	2.312	10	10	FECE	
CSc1ncc(C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)cn1	2297344839	ZVVYABXCESVPAI-UHFFFAOYSA-N	358.354	2.004	10	10	FECE	
CCOC(=O)CN(C(=O)C=Cc1ccc(N2CCOCC2)cc1)C(C)C	2297505412	ZCCFSXKBGFPTJK-UHFFFAOYSA-N	360.454	2.337	10	10	FECE	
COC(=O)CCN(C(=O)C=Cc1cnc(N(C)C)nc1)c1ccccc1	2324673002	JMLJJIWJIBSHAN-UHFFFAOYSA-N	354.410	2.152	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@H]1C[C@@H]2OCC[C@@H]2N1C(=O)OC(C)(C)C	2310283745	QWKOPJYJCADKCZ-XQQFMLRXSA-N	353.423	2.312	10	10	FECE	
CCOC(=O)c1c(NC(=O)CCC(=O)OCCOC)sc2c1CCC2	8568646	MPBHVNLSWVDVFW-UHFFFAOYSA-N	369.439	2.322	10	10	FECE	
CCN1CCC[C@@H](NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1	170685705	MJXHDWFSBUITCE-QGZVFWFLSA-N	360.502	2.448	10	10	FECE	
COc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)c1O	171487325	CCDKKUIIXQCACQ-INIZCTEOSA-N	354.406	2.322	10	10	FECE	
Cc1nccn1C[C@@H]1CCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1	178316798	XIPIBKWFZPNZHA-FQEVSTJZSA-N	369.513	2.381	10	10	FECE	
O=C1C[C@@H]([C@@H]2CCCCN2C(=O)NCCCSc2nccs2)CN1	123436178	QYHDLWXLVPYFQG-OLZOCXBDSA-N	368.528	2.326	10	10	FECE	
CCn1cc([C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCO2)cn1	191707360	JJYWFLRIFOUCRF-FQEVSTJZSA-N	356.470	2.313	10	10	FECE	
CC[C@H](C)[C@@H](NC(=O)/C=C\c1ccc(N2CCOCC2)cc1)C(=O)OC	255523942	IZJFEFVWTDIENF-JFOORYIUSA-N	360.454	2.240	10	10	FECE	
Cc1cc(/C=C\C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c(C)n1-c1ccccc1	255299373	FTWCOYVVXMEDFU-ULNHMINQSA-N	367.449	2.256	10	10	FECE	
COc1cc(Cl)cc(CN2CCN(CC(F)(F)F)C(=O)C2)c1O	289981559	ZTCXMVIDWOVNHV-UHFFFAOYSA-N	352.740	2.261	10	10	FECE	
C[C@H](CNC(=O)c1ccn(-c2ccc(N)cc2)n1)N(C)C(=O)OC(C)(C)C	2162519537	GELVKSSLUSMJOZ-CYBMUJFWSA-N	373.457	2.440	10	10	FECE	
CNC(=O)[C@@H]1CN(C(=O)/C=C\c2cnc3ccccc3n2)c2ccccc2O1	728222178	QWCAFSRCUAPHQV-GDWUOILNSA-N	374.400	2.183	10	10	FECE	
CCOC1(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCC1	829265002	VZEWZXCFAQLRLA-UHFFFAOYSA-N	350.434	2.362	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCCN(S(=O)(=O)C3CC3)CC2)cc1	835049886	NCTOUHRHNIHFRM-HWKANZROSA-N	363.527	2.266	10	10	FECE	
CCOC[C@H](C)CS(=O)(=O)NCc1cc(Br)ccc1O	831521472	AEQLBJRZBVVUCX-JTQLQIEISA-N	366.277	2.247	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@@]1(CCO)CCOC1	840478974	KVLIFCINFUFPLE-OXJNMPFZSA-N	363.502	2.080	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NCC(=O)NCC(F)F)c1O	848549539	QTWCMUWGQMPPCA-SSDOTTSWSA-N	367.190	2.195	10	10	FECE	
Nc1ccc(CC(=O)N2CCn3c(Cc4cccc(F)c4)nnc3C2)cc1	846685348	BKPQHRBDCRVARM-UHFFFAOYSA-N	365.412	2.175	10	10	FECE	
COc1ccc(N2CCN(CCCN[C@H]3C[C@H]4CC[C@@H](N4)[C@H]3C)CC2)cc1	925518854	KZNJJPJBTJKYGV-YHBROIRLSA-N	372.557	2.326	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@H]5OC)C2)cc1	854297927	TWADUVCWJBLEGW-FLVPGIQOSA-N	371.481	2.339	10	10	FECE	
C[C@H](NCC[C@@H]1CNCCS1(=O)=O)c1cc(Cl)c(Cl)cc1O	925788570	KEOKEZPQPHTBBD-VHSXEESVSA-N	367.298	2.126	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)Cn3ccnc3C)C2)cc1	853589538	UOEQRMRHYXVIHL-WBVHZDCISA-N	371.485	2.414	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCC(O)(C(F)F)CC3)C2)cc1	854300181	WCBJJOMGXCOXCA-ZDUSSCGKSA-N	369.412	2.076	10	10	FECE	
C[C@@H](NC(=O)Cn1c(O)nc2ccccc2c1=O)c1ccc(N(C)C)cc1	773019782	QOURLSVMWJGDIJ-CYBMUJFWSA-N	366.421	2.046	10	10	FECE	
COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3Cc4cccc(O)c4C3)C2)c1	871205134	ORONXBOGGWXOSR-LJQANCHMSA-N	368.389	2.445	10	10	FECE	
Cc1cc(CC(=O)N[C@@H]2CCC(=O)NC2=O)c(C)n1-c1ccc(Cl)cc1	772719466	WUEOKPTZMVEBTO-MRXNPFEDSA-N	373.840	2.211	10	10	FECE	
CN1C(=O)C(=Cc2ccc(N(C)C)cc2C(F)(F)F)C(=O)N(C)C1=O	794864421	DVTHRUQEPTZRFR-UHFFFAOYSA-N	355.316	2.205	10	10	FECE	
CCc1cccc(CNC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1O	702849149	SCPKXIXERRWLRK-JKSUJKDBSA-N	350.459	2.272	10	10	FECE	
CS(=O)(=O)c1ccc(Cl)c(C(=O)N2Cc3cccc(O)c3C2)n1	1175039305	WORPWEVCANVBGP-UHFFFAOYSA-N	352.799	2.000	10	10	FECE	
C[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@H](c2ccsc2)O1	1329414798	XFWJBUZRXXIWDR-YVEFUNNKSA-N	372.446	2.285	10	10	FECE	
COc1ccc(S(=O)(=O)CCC(=O)N2Cc3cccc(O)c3C2)cc1	1335796868	RTZLQFXNPLCEHL-UHFFFAOYSA-N	361.419	2.107	10	10	FECE	
C=CS(=O)(=O)CCC(=O)Nc1c(-c2ccccn2)nc2ccccn12	1335292107	OIGHTASBDIQQOC-UHFFFAOYSA-N	356.407	2.283	10	10	FECE	
C[C@@]1(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CCNC(=O)C1	1355506462	GBKPNZOVCKFRMT-OAQYLSRUSA-N	362.385	2.317	10	10	FECE	
CC(C)O[C@@]1(CNCc2ccc(N3CCN(C)CC3)c(F)c2)CCOC1	1350898074	BOJKJINCHFBXIY-HXUWFJFHSA-N	365.493	2.251	10	10	FECE	
CC[C@@](C)(O)Cn1c(C)nnc1N1CCCN(c2ccc(OC)cc2)CC1	1291360790	AJROOTPVJJKDRB-HXUWFJFHSA-N	373.501	2.473	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H]1C[C@H]1F	2136240758	PPVUUAGPPMVFBG-UPJWGTAASA-N	368.405	2.008	10	10	FECE	
Cc1nnc(Nc2cnn(C)c2)n1Cc1ccc(N2CCOCC2)c(F)c1	1751943176	KPNCAIXPRHDFDI-UHFFFAOYSA-N	371.420	2.088	10	10	FECE	
CCC(O)(CC)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1676653620	SPPFKJDURMSXBI-QGZVFWFLSA-N	350.507	2.206	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H]2CO[C@@H](C)CN2C(=O)OC(C)(C)C)c1O	2139765600	XNLGLBTVRJHRPL-ZFWWWQNUSA-N	364.442	2.341	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C[C@H](O)CN1C(=O)c2ccccc2C1=O	1989687464	KPFBOLSOGOEARF-KGLIPLIRSA-N	354.406	2.042	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C2(NCc3ccc(O)c(O)c3O)CC2)C1	2033962991	FZTLXKNOXBSWDE-UHFFFAOYSA-N	350.415	2.293	10	10	FECE	
CCS(=O)(=O)C[C@H](C)N(C)c1ccc(CNC)cc1Br	2170532385	DURITVWWCPOPJR-NSHDSACASA-N	363.321	2.428	10	10	FECE	
CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(Cc2cc(N)ccc2O)C1	2044652134	GISGYIXIUZKXCB-HUUCEWRRSA-N	351.447	2.088	10	10	FECE	
C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)c1cc(O)ccc1O	2052722818	RTLQFNRIFOJVET-SGIREYDYSA-N	352.431	2.119	10	10	FECE	
C[C@H]1COC[C@@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])N1C(=O)OC(C)(C)C	2060620448	AKSVWDDBPABUFE-XQQFMLRXSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1CC(=O)N1CCC[C@H]1CN=[N+]=[N-]	2067675485	ARXHLYBESHHNHF-AVGNSLFASA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(CCC(=O)Nc2ccc(N)cc2)[C@@H]2C[C@@H]21	2106763477	GKUXRQAFGGUIKK-CVEARBPZSA-N	360.458	2.291	10	10	FECE	
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3O)C2=O)cc1	2313518839	WFNHSHQBILMQTL-UHFFFAOYSA-N	352.346	2.457	10	10	FECE	
CS(=O)(=O)[C@@H]1CC[C@H]1NCc1cc(Cl)cc(Br)c1O	2342596095	LTTOQCASEUQHON-GHMZBOCLSA-N	368.680	2.473	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)cc1	129029934	AGSJURZDHCOZHS-UHFFFAOYSA-N	354.406	2.315	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)NCc2ccc(N3CCCC3)cc2)c1	171958686	NUPJHZXHWODLRE-RMKNXTFCSA-N	364.449	2.371	10	10	FECE	
COCCN(C[C@@H](O)CN1CCC(C)CC1)c1ccc(OC)c(OC)c1	126354211	MZMFOACGDSEDIA-SFHVURJKSA-N	366.502	2.249	10	10	FECE	
CN(C)c1ccc(CNC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)cc1	48141606	IBMXKKPJSWIBQJ-KRWDZBQOSA-N	373.478	2.471	10	10	FECE	
COC(=O)C[C@@H](N)c1c(Br)ccc(Br)c1O	95716403	BVHLAYJRSIRWQA-SSDOTTSWSA-N	353.010	2.480	10	10	FECE	
COCC[C@H](COC)NC(=O)NCc1cccc(Br)c1O	811955522	ALYJQHLTGUDREO-LLVKDONJSA-N	361.236	2.005	10	10	FECE	
COc1cccc(C[C@H](NC(=O)NCc2ccc(N(C)C)cc2)C(=O)O)c1	908758520	MTNBQOQDZHUHKK-SFHVURJKSA-N	371.437	2.256	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3C[C@H](O)C[C@H]3[C@H]3CCCOC3)ccc21	838031998	UPZQUWPMFQPFAM-NSHGMRRFSA-N	373.497	2.140	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccnn1C1CCC1	923876607	WBLVBMSETWVUNC-UHFFFAOYSA-N	370.453	2.490	10	10	FECE	
C[C@H](N[C@@H](CO)c1ccnn1C)c1ccc(N2CCOCC2)cc1Cl	858434865	RKEGXKAHIOBWPI-GUYCJALGSA-N	364.877	2.294	10	10	FECE	
CC(C)OC[C@H](N)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	851630964	UGILMFFYFWYMDY-CJNGLKHVSA-N	371.428	2.125	10	10	FECE	
O=C(NCc1c(O)cccc1F)NCC1CCN(C2CCOCC2)CC1	923180269	YALZRRCQKJIWQW-UHFFFAOYSA-N	365.449	2.222	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CN(C)C(=O)OC(C)(C)C)C2)cc1	855229402	JUSRYVQDLAJZST-CQSZACIVSA-N	363.458	2.257	10	10	FECE	
Cc1cc(C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)c(C)n1-c1ccccn1	856087516	WUHCKPVIFHPQJG-INIZCTEOSA-N	369.469	2.317	10	10	FECE	
COCCNC(=O)c1ccc(N[C@H]2CCN(c3ccc(OC)cc3)C2)nc1	853758621	IMIPSGQGFRGJFU-INIZCTEOSA-N	370.453	2.157	10	10	FECE	
Cc1cc(C(=O)NS(=O)(=O)C2(C(F)F)CC2)c(C)n1-c1ccccn1	861164872	KQFOPEFDAHIOHP-UHFFFAOYSA-N	369.393	2.346	10	10	FECE	
C[C@H](NC(=O)/C=C/COC1CCOCC1)c1ccc(N2CCOCC2)cc1	865018177	HLRDLBLIROLKFA-YATRRXNKSA-N	374.481	2.452	10	10	FECE	
O=C1NCC[C@]1(C(=O)NCc1ccc2cccnc2c1O)C1CCCC1	862024838	CRPJVSARACZVIE-FQEVSTJZSA-N	353.422	2.253	10	10	FECE	
C[C@H](NC(=O)NCCC1CCS(=O)(=O)CC1)c1ccc(N(C)C)cc1	773432342	VCYHEFRCQXSGMH-AWEZNQCLSA-N	367.515	2.328	10	10	FECE	
COc1cccc(CNS(=O)(=O)c2ccc3ncsc3c2)c1O	772725136	TUKVSVYNMBHVOR-UHFFFAOYSA-N	350.421	2.489	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN(C)[C@@H](C)CN2CCOCC2)c1O	788378279	PUPWDMNWOGSDTE-HNNXBMFYSA-N	372.465	2.485	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CC[C@@]3(CNC(=O)C3)C2)c1O	788383828	NNUQSWNKJYLLHU-HXUWFJFHSA-N	354.406	2.044	10	10	FECE	
Cc1cc(C)c2c(N)c(C(=O)OCCC3CS(=O)(=O)C3)sc2n1	790641178	XIUKEWPMERHPST-UHFFFAOYSA-N	354.453	2.087	10	10	FECE	
Cc1cc(CC(=O)NC2(c3nn[nH]n3)CCC2)c(C)n1-c1ccccc1	1303221467	IWWOYASWUMPYNV-UHFFFAOYSA-N	350.426	2.345	10	10	FECE	
Cc1cc(NC(=O)C(=O)Nc2c(-c3ccccn3)nc3ccccn23)no1	1160563429	ORPVRLPOOMHEOG-UHFFFAOYSA-N	362.349	2.270	10	10	FECE	
C[C@H](NCC1(CCO)CN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1O	2119202873	PALYMCQHJQSJJE-ZDUSSCGKSA-N	366.458	2.368	10	10	FECE	
C[C@@H](N=c1nc(CCNC(=O)OC(C)(C)C)[nH][nH]1)c1cc(F)ccc1O	2126783829	NGLOWSUIKGCWCQ-SNVBAGLBSA-N	365.409	2.312	10	10	FECE	
CC1(N2CCCC2)CCC(NC(=O)C(=O)N2Cc3cccc(O)c3C2)CC1	1341876666	QDBARNRZAMAHNF-UHFFFAOYSA-N	371.481	2.148	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)Cc2ccc(O)c(O)c2)C1	1292571917	BMIYXUBTMREYPO-CQSZACIVSA-N	364.442	2.404	10	10	FECE	
CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N(C)C)c(F)c1	1547322864	LJLBDTFSEIPLLK-UHFFFAOYSA-N	362.453	2.126	10	10	FECE	
CC(C)(F)CNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136240925	RWPOJUUWRGUWHV-LBPRGKRZSA-N	370.421	2.398	10	10	FECE	
Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(O)c(O)c3)C2)nc1	1625014963	UPYAUNMIPAGHGV-OAHLLOKOSA-N	369.421	2.221	10	10	FECE	
CNC(=O)c1cccc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)c1	1629724373	QPIRRGRKPCLRNE-UHFFFAOYSA-N	353.382	2.181	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1	1634297408	KCNULMIGCTYXHU-LBPRGKRZSA-N	369.339	2.025	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CC(O)(c3nccn3C)C2)c1	1643445069	JFOZMVXUZQVAOZ-UHFFFAOYSA-N	364.449	2.480	10	10	FECE	
COC(=O)[C@@H]1c2ccccc2OCCN1C(=O)/C=C/c1ccc(O)c(O)c1	1648217055	HSFHUHXVUYULKW-XSBJJCPUSA-N	369.373	2.246	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)c3cnoc3C3CC3)cc2)CC1	1652068424	NTQOAPUAPFFMLM-UHFFFAOYSA-N	368.437	2.184	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)c3ocnc3C3CC3)cc2)CC1	1584507057	LKYVSNFHTYWMIO-UHFFFAOYSA-N	368.437	2.184	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(Nc2nn[nH]n2)c1	1587404421	FWALXCJJTQCOES-UHFFFAOYSA-N	351.414	2.282	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CC[C@H]4[C@H](CCCN4C4CC4)C3)cc2N1	161934439	RGSJBMXEOBVJER-DOMZBBRYSA-N	372.425	2.379	10	10	FECE	
CNC(=O)CN(Cc1ccccc1)c1cc2c(cc1Cl)[C@H](O)C(=O)N2	2034790290	NDNOKXMUWAXMBP-KRWDZBQOSA-N	359.813	2.078	10	10	FECE	
CCOc1cccc(CNCCN(C[C@H](C)O)C(=O)OC(C)(C)C)c1O	382133446	KXWISKPAUYHOTE-AWEZNQCLSA-N	368.474	2.498	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(c2cc3c(cc2N)OCC(=O)N3)[C@@H]2CC[C@@H]21	2168382812	DPCFRSIRZHOGJH-KGLIPLIRSA-N	374.441	2.188	10	10	FECE	
NC[C@@]12CN(Cc3cc(Cl)cc(Br)c3O)C[C@H]1CCO2	2175176022	KCDRPFUNFTWSSR-QMTHXVAHSA-N	361.667	2.358	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)Nc2ccc(N)cc2)C1	2044244959	BTSQHIVCBZRHMS-AWEZNQCLSA-N	350.419	2.026	10	10	FECE	
Cc1cccc(O)c1CNC[C@@H]1C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1	2052663854	RAKUHRPRBZXJQF-LXZKKBNFSA-N	350.459	2.454	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2060634925	FPTITGXXNUPALY-QWHCGFSZSA-N	353.423	2.171	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1	2060640844	ZNUFHBJACSRULO-MRXNPFEDSA-N	355.439	2.297	10	10	FECE	
CC(C)(C)OC(=O)NCC1(C(=O)N2CC[C@H](N=[N+]=[N-])C2)CCOCC1	2060611925	ZWTYWFRRDIKFJY-LBPRGKRZSA-N	353.423	2.219	10	10	FECE	
CN(C)c1ccc(CN=c2cc(I)cn[nH]2)cc1	2064130524	OQYMKCCIIPOGOU-UHFFFAOYSA-N	354.195	2.181	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)COc1ccc(N)cc1	2106721579	MVCYKLKXQNISRJ-JSGCOSHPSA-N	367.421	2.111	10	10	FECE	
COc1cc(N)c(N2CC[C@H](NC(=O)C(F)(F)F)[C@H](C)C2)cc1OC	2106843326	HSUCYCZOCASOPM-KOLCDFICSA-N	361.364	2.179	10	10	FECE	
CN(C)C(=O)CN(CCC(=O)Nc1ccc(N)cc1)Cc1ccccc1	2095917800	KVJBUBOLYBGNLQ-UHFFFAOYSA-N	354.454	2.188	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CC(N4CCC4)C3)ccc(N)c2C1	2095923154	WRSKLFDVLCSJRD-UHFFFAOYSA-N	358.486	2.456	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]12C[C@@H]2C(=O)NCCc1ccc(O)c(O)c1	2268131911	QRELYQDSGHJEPQ-KPAZRMRSSA-N	362.426	2.060	10	10	FECE	
COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)C1=Cc1ccc([N+](=O)[O-])cc1	2294037580	UULCJRGIRBBPAN-OAHLLOKOSA-N	372.377	2.446	10	10	FECE	
COc1cc(C=C2SC(=S)N(CCCNC(C)=O)C2=O)ccc1O	2323887720	VQPLREKITCGRSV-UHFFFAOYSA-N	366.464	2.128	10	10	FECE	
CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)[C@H]1[C@@H]2COC[C@@H]21	2341345597	XZGCIGMSOQLCNL-XDNAFOTISA-N	361.486	2.367	10	10	FECE	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(\C)NCCO)cc1	101834258	VGWSTCQMALHWLF-QGOAFFKASA-N	369.396	2.441	10	10	FECE	
CC1=NN(c2ccc3nncn3n2)C(=O)/C1=C\Nc1cc(F)c(F)c(F)c1	36358546	FTEGPQAIBHHTJU-POHAHGRESA-N	373.298	2.260	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)c2cnc3ccccn3c2=O)cc1	79390461	ABOAPRXVURLHLW-UHFFFAOYSA-N	350.422	2.471	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@](O)(C(F)(F)F)C1	81479161	GHSUYPMWTFTQKI-INIZCTEOSA-N	357.376	2.496	10	10	FECE	
COc1ccc(N2CCN(CCN[C@@H](C)CCn3cccn3)CC2)cc1	272352934	DHHUJHXURFAYBQ-SFHVURJKSA-N	357.502	2.082	10	10	FECE	
CC1=CC(NC(=O)C(C)(C)C)=S=C1C(=O)Nc1ccnc2cc(C)nn12	621081146	OMRYYUBNYVPMPI-UHFFFAOYSA-N	371.466	2.134	10	10	FECE	
CCO[C@H]1COCC[C@@H]1NC(=O)NCc1cc(Br)ccc1O	805281292	WJUOUNQUGDETAN-JSGCOSHPSA-N	373.247	2.148	10	10	FECE	
C[C@@H](CF)NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	816745517	LMCHLRBRCREUKH-VIFPVBQESA-N	358.416	2.342	10	10	FECE	
CO[C@@H](CS(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CCOCC1	827473651	KTJUZHDTNJFJLH-KDOFPFPSSA-N	370.515	2.175	10	10	FECE	
CCC/C=C\[C@H](O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	900902384	VBWMMXWKNNHMME-XDXAGZTOSA-N	350.434	2.120	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC2CCC(C(F)F)CC2)c1	838103324	NMGPTOLZDVMDIM-UHFFFAOYSA-N	362.398	2.317	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCC[C@H](CNC(=O)[C@H]3CCCN3)C2)cc1	843058085	OSAFPVIJJKIUKC-LFLMQBRGSA-N	370.541	2.346	10	10	FECE	
CCON(C)C(=O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	846064832	NKNZVGJHGCWPQY-UHFFFAOYSA-N	350.419	2.085	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C4CC4)n(C)n3)C2)cc1	923187387	MINLLALZICYYBV-HNNXBMFYSA-N	369.469	2.384	10	10	FECE	
O=C(COc1cccc(N2CCCC2=O)c1)NCc1c(O)cccc1F	928710996	ZAJADNAUYASSET-UHFFFAOYSA-N	358.369	2.353	10	10	FECE	
Cc1cc(C)c([C@H](C)NCC(=O)NCC(=O)NCc2ccccc2)c(O)c1	926962920	CLONAQJPVJXAHX-INIZCTEOSA-N	369.465	2.092	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3ccccc3C)C2)cc1	850536686	MIDCIUXUQWQHOU-HNNXBMFYSA-N	353.422	2.337	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N3CCC(=O)N(C)CC3)cc2)CC1	853704367	IVHZZRTVVRHESR-UHFFFAOYSA-N	358.486	2.297	10	10	FECE	
COCCCNC(=O)COC(=O)Cc1cc(C)n(-c2ccccc2)c1C	853933495	FDHVYYVAJLXHSV-UHFFFAOYSA-N	358.438	2.333	10	10	FECE	
CCN(CC)c1ccc(CN2CCC[C@@H](CS(=O)(=O)NC)C2)cc1	862551626	OXYIRVIIMOZXOQ-QGZVFWFLSA-N	353.532	2.294	10	10	FECE	
COc1ccc(CNC(=O)NC[C@@H]2CC(=O)c3ccccc3O2)c(O)c1	869088773	ZNURBKVCLQOTQV-AWEZNQCLSA-N	356.378	2.234	10	10	FECE	
C[C@H](NC(=O)N[C@@H]1CCNC12CCC2)c1ccc(N2CCOCC2)cc1	861566359	USIJTWVJVQDMCH-MAUKXSAKSA-N	358.486	2.168	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)c1cnc(OCC2CC2)cn1	862025981	DQARWWKSLSOOMI-UHFFFAOYSA-N	350.378	2.449	10	10	FECE	
C[C@@H]1CC(=O)N(C)c2ccc(NC(=O)C(=O)NCc3ccccc3O)cc21	861732462	ZPDSPTFBFGMOLF-GFCCVEGCSA-N	367.405	2.117	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)C1(C(=O)Nc2ccc(F)cc2)CC1	762263669	JSWMRGBNJDXFQV-UHFFFAOYSA-N	358.369	2.315	10	10	FECE	
COC(=O)Cc1ccnc(N2CCN(c3ccc(OC)cc3OC)CC2)c1	866138638	MYPQSXNUUHEFAX-UHFFFAOYSA-N	371.437	2.141	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)[C@H]1COCCN1C1CCCC1	862026211	IRCSRCNSPLTOIX-QGZVFWFLSA-N	355.438	2.200	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CC[C@H](O)[C@H](O)CC3)ccc21	1123944676	YWQWBWQGYTUNGG-PDFPEKILSA-N	374.481	2.299	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CNC/C=C\CNC(=O)OC(C)(C)C)c1O	789865671	DHOLOMNKYFYSIP-WAYWQWQTSA-N	367.402	2.480	10	10	FECE	
O=C1CO[C@@]2(CCN(C(=O)c3cc(O)cs3)C2)CN1Cc1ccccc1	882579608	DLRBKVMSGMOOAT-LJQANCHMSA-N	372.446	2.097	10	10	FECE	
CC(C)C[C@H](NCc1cc(F)c(N(C)C)cc1F)C(=O)NCCN(C)C	1328764791	QIKKZKHWGDZSEY-KRWDZBQOSA-N	370.488	2.213	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2124504638	BAPWYNPQCHYVBJ-STQMWFEESA-N	367.450	2.465	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC[C@@H](F)C1	1261437424	CAPYJBWMGKMHOE-MJBXVCDLSA-N	353.390	2.217	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3cc(C)c(C)cn3)CC2)cc1	1292283030	RWQXCDJXDRRUPG-UHFFFAOYSA-N	368.481	2.259	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H](CO)Cc1ccncc1Cl	1618611927	FZEIXHRVNYMSQL-QDOCKXBDSA-N	362.813	2.127	10	10	FECE	
CNS(=O)(=O)c1cc(C(=O)NCc2c(O)ccc3ccccc23)c(C)o1	1558553899	FNFRKVLBDXDUGJ-UHFFFAOYSA-N	374.418	2.285	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H](CC(=O)NCC2(CN=[N+]=[N-])CC2)C1	2135931680	LTRWZGMXCXTDJA-ZDUSSCGKSA-N	367.450	2.467	10	10	FECE	
C[C@H]1CN(C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)[C@@H]1C	2136256143	MXAKXMZEXZVGFQ-SCRDCRAPSA-N	364.442	2.400	10	10	FECE	
C[C@H](NC(=O)CNC(=O)c1ccc(Br)o1)c1ccccc1O	1632249968	FJIFVIADVOWTEM-VIFPVBQESA-N	367.199	2.355	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)c1	1635812460	DLCJXCMSTQKUIL-CALCHBBNSA-N	365.433	2.089	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc2cccnn12	1638529312	LRXPDRQIQLGHPX-UHFFFAOYSA-N	353.378	2.245	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c(C)coc1CC(=O)OC	1634943792	FCKYEAFJPUNXBK-UHFFFAOYSA-N	352.383	2.425	10	10	FECE	
Cc1c(Br)cnc(O)c1C(=O)NCCc1ccc(O)c(O)c1	1631509905	GIQZBLHWDGXUQZ-UHFFFAOYSA-N	367.199	2.242	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(O)c(O)c2O)C12CC2	1925567368	BSSDQAKLVNDESE-CYBMUJFWSA-N	350.415	2.435	10	10	FECE	
Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NCc1c(O)ccc2ccccc12	1652709305	ZDQQZQDZDUVXHW-OAQYLSRUSA-N	366.417	2.083	10	10	FECE	
O=C(CN1CCOc2ccc(Cl)cc21)NCCc1ccc(O)c(O)c1	156606539	OSISZAFZWZBPKU-UHFFFAOYSA-N	362.813	2.309	10	10	FECE	
CCOCCOCCOC(=O)CNCc1ccc(N(CC)CC)cc1	1857872138	XYJPWUCQVJIKMH-UHFFFAOYSA-N	352.475	2.219	10	10	FECE	
CC(C)NCc1ccc(N2CC(S(C)(=O)=O)C2)c(Br)c1	2152286754	PYYZVECUQFRXNA-UHFFFAOYSA-N	361.305	2.180	10	10	FECE	
CC(C)(C)OC(=O)NCc1nc(=NCc2c(O)cccc2Cl)[nH][nH]1	2011841223	BULINAHKVBWNFE-UHFFFAOYSA-N	353.810	2.222	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C(CNCc3ccc(O)c(O)c3O)[C@@H]2C1	2027109018	GZZNZWVCBNFNKO-STQMWFEESA-N	350.415	2.006	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC12CC(NCc1ccc(O)c(O)c1O)C2	2032211385	OXUYPJOOKBRJTQ-HLZQHVJHSA-N	350.415	2.339	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2060621771	RIDDPGJBMJUWMV-UPJWGTAASA-N	353.423	2.360	10	10	FECE	
CO[C@@]1(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])CCN(C(=O)OC(C)(C)C)C1	2060617930	TWJNCINAGBBOBE-WBMJQRKESA-N	353.423	2.314	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@]1(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])CCOC1	2060633879	SODTXRCFLOGNGV-WBMJQRKESA-N	353.423	2.314	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N(C)CC1CN(C(=O)OC(C)(C)C)C1	2106762555	DFXWEGYVLNATEW-CYBMUJFWSA-N	362.474	2.395	10	10	FECE	
CN(C)CCCN(Cc1ccccc1)C[C@@H](O)COc1ccc(N)cc1	2095862026	QEDNRDRCKZGNPJ-HXUWFJFHSA-N	357.498	2.462	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(C(=O)N[C@H]3CCC[C@@H]3N=[N+]=[N-])(CO1)C2	2225796112	UIYIEAYBRJEFJA-MQAIEQDTSA-N	365.434	2.408	10	10	FECE	
C[C@H]1OC2(C(=O)NCCCCN=[N+]=[N-])CC1(NC(=O)OC(C)(C)C)C2	2254818322	PUHYFQGBVSJQHD-VHWKEVPUSA-N	353.423	2.408	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Nc1c(N)cccc1C(N)=O	2329646899	YJBFBSQFXHGMQH-AZHAFVHUSA-N	360.458	2.471	10	10	FECE	
CN(C)c1ccc(CNS(=O)(=O)c2ccc(CC(=O)O)s2)cc1F	184968654	JSVLSDGQSCYBLG-UHFFFAOYSA-N	372.443	2.059	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)C1(O)CCCC1	92126234	XHLSCIDYQJOJRZ-UHFFFAOYSA-N	357.498	2.140	10	10	FECE	
O=C(CC(F)(F)F)NC[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1	804202283	MBWLCHWBAXPEQR-SNVBAGLBSA-N	360.332	2.019	10	10	FECE	
CO[C@H]1CCCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	292740031	HCXLZVYFCYGRGB-QAPCUYQASA-N	350.434	2.484	10	10	FECE	
Cc1ccncc1CN(C)C(=O)C(=O)NCCCSc1nccs1	806279251	JHPFBEFKLHANPI-UHFFFAOYSA-N	364.496	2.104	10	10	FECE	
CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H]1CCN(c2ccccc2)C1=O	588405051	LAEFQKOOOWOJSJ-SIJIIQCFSA-N	352.390	2.375	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Nc3ccc(C(N)=O)c(F)c3)C2)cc1	820857434	XZLXZTOMMZSEMT-CYBMUJFWSA-N	372.400	2.334	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)c1	831219717	FDTPYFIPYVQMFX-HOJAQTOUSA-N	368.433	2.440	10	10	FECE	
O=C([C@H]1CCc2nc[nH]c2C1)N(Cc1ccccc1O)C[C@H]1CCCO1	830899580	HREYADAVWZPHES-GOEBONIOSA-N	355.438	2.428	10	10	FECE	
CON(C)C(=O)[C@H](CCSC)NC/C=C/c1ccc(N(C)C)cc1	835041047	JBDXOOLDPVFMHF-LXXRFIIISA-N	351.516	2.497	10	10	FECE	
COc1cc(N2CCN(C/C=C\c3ccc(N(C)C)cc3)CC2)ncn1	835046745	MQOCGSKOWWLCGT-PLNGDYQASA-N	353.470	2.387	10	10	FECE	
NCC[C@H](NC(=O)NCc1cc(Br)ccc1O)C(F)(F)F	841332339	DUOIQTRTMOMJDD-JTQLQIEISA-N	370.169	2.234	10	10	FECE	
Cc1nc([C@@H]2CCN(C(=O)NCc3ccc4c(c3)CCCN4C)C2)no1	915390864	SUXUDHMAASCHHC-MRXNPFEDSA-N	355.442	2.460	10	10	FECE	
COCCO[C@H]1CCCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C1	844207525	MFMVLIJSHHEAMR-VSKVDJIOSA-N	350.371	2.324	10	10	FECE	
COCc1cc(O)ccc1NS(=O)(=O)c1c(C)csc1C(=O)OC	840917660	LUGDMVQKLQCNRU-UHFFFAOYSA-N	371.436	2.496	10	10	FECE	
O=C(O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1	911209511	PUHXLLSTNQBEOU-DKKFBQAASA-N	370.449	2.052	10	10	FECE	
COC[C@](C)(O)C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	745316242	FKTYLXXSZIMJPF-IBGZPJMESA-N	363.385	2.357	10	10	FECE	
CN1CCN(c2ccc(CN(CCN)CCc3ccccc3)cc2)CC1	843122402	RYEMORMLZSGMCN-UHFFFAOYSA-N	352.526	2.442	10	10	FECE	
COc1ccccc1N1CC[C@H](NC(=O)NCc2c(O)cccc2F)C1=O	921426352	RVBOYJXTNGXJRE-AWEZNQCLSA-N	373.384	2.145	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CNC(=O)C3CCCCC3)C2)cc1	855229302	MKBSBKKQAKQMJY-MRXNPFEDSA-N	359.470	2.087	10	10	FECE	
CCN1CC[C@@H](N(CC)C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	854295876	DGTHEYZUCRFFBI-FUHWJXTLSA-N	360.502	2.400	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@H](O)C(F)(F)C1	854177005	QREKPPBNLOEMSD-CJNGLKHVSA-N	355.429	2.404	10	10	FECE	
CCCN1CC[C@H](CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	852186039	APHVLJBBTJXBNV-SJORKVTESA-N	360.502	2.305	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc4c(cn3)OCCC4)CC2)cc1	1337559748	CKVGBEBEBUJYOG-UHFFFAOYSA-N	353.422	2.378	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CNC[C@H]3CCCC34CC4)CC2)cc1	863588329	KQZQVKFAMQOGQY-QUCCMNQESA-N	373.541	2.348	10	10	FECE	
CCc1ncnc(NCCN2CCN(c3ccc(OC)cc3)CC2)c1F	767212064	BWZNTMASGWTLDC-UHFFFAOYSA-N	359.449	2.421	10	10	FECE	
COc1ccc(O)c(CNc2cccc(CC(=O)N3CCN(C)CC3)c2)c1	775758480	TWIAPTRWESIEOB-UHFFFAOYSA-N	369.465	2.329	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	773995835	XHSMUUVTPIFGMC-SEIPJRMCSA-N	352.438	2.398	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@]3(C)C[C@H]4CC[C@H]3O4)CC2)c(OC)c1	870167094	AERSIVOGBMKNCC-ZTNFWEORSA-N	360.454	2.310	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@H]1[C@@H]1CCCOC1	1123488760	HSNHJJNCQHXCHG-MJGOQNOKSA-N	359.470	2.234	10	10	FECE	
O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCCN(Cc2cc(F)cc(F)c2O)C1	895472604	DQDRSRPONHRZSU-UHOFOFEASA-N	368.424	2.302	10	10	FECE	
CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1	1150376689	AYFXEZPDAGMPEG-KRWDZBQOSA-N	374.437	2.374	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C1	2124540260	FMZCJDYVCTTZFI-PBFPGSCMSA-N	365.434	2.171	10	10	FECE	
CN1CCCc2cc(CNC(=O)C(=O)NC3C[C@@H]4CC[C@H](C3)S4)ccc21	1262232237	YFBZFRRYYPCTTB-ALOPSCKCSA-N	373.522	2.228	10	10	FECE	
O=C(O)[C@@H](C[C@@H]1CCOC1)NCc1cc(Br)cc(F)c1O	1262163537	WRXIGOSFZOGYAX-QPUJVOFHSA-N	362.195	2.263	10	10	FECE	
O=C(N[C@H]1[C@H]2CCC[C@H]21)C(=O)N(Cc1ccco1)Cc1ccccc1O	1343466456	HKJBTWJZMQEZAM-ALXJQNPVSA-N	354.406	2.429	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)CN(Cc2ccccc2)C1	2132407282	ODBHWECUWAVMJA-CJNGLKHVSA-N	356.422	2.444	10	10	FECE	
CC[C@H]1CN([C@H](CC)C(=O)NCc2ccc(N(C)C)c(F)c2)CCO1	1442474925	OPMSIBZHNHMWQV-DOTOQJQBSA-N	351.466	2.397	10	10	FECE	
Cn1nc2c(c1NC(=O)c1ccc(C3=S=C(C=O)C=C3)cc1)CCC2	1292140133	POUHKACRBAQOKH-UHFFFAOYSA-N	351.431	2.356	10	10	FECE	
Cc1cc(CN2CCC[C@@H]3OCCNC(=O)[C@@H]32)ccc1N1CCCCC1	1460677030	NJKYGCXHHIFJDO-VQTJNVASSA-N	357.498	2.465	10	10	FECE	
COc1ccc(N2CCC(NC(=O)/C=C/[C@H]3COC(C)(C)O3)CC2)cc1	1464704971	PLWZCIAZCWUGIG-BLGFXRMMSA-N	360.454	2.488	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@@H](N(C)C)C1	1627013556	FPEQUAMFCLZDMD-DOTOQJQBSA-N	362.470	2.404	10	10	FECE	
CCOC(=O)C[C@@H](O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	1624287080	UEQPDXFGQIJUJY-GOSISDBHSA-N	374.437	2.189	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H]2C[C@H](C)CN2C1	1627013639	ICFMXGSYWRRCMC-CGTJXYLNSA-N	374.481	2.404	10	10	FECE	
CN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCN(c2ccccc2F)C1=O	1627690486	ZMMSFFLTEXWNOT-OAHLLOKOSA-N	358.369	2.043	10	10	FECE	
Nc1ncc(Br)cc1CNC(=O)/C=C/c1ccc(O)c(O)c1	1638009247	GEIJOXWXFNRDJR-DUXPYHPUSA-N	364.199	2.167	10	10	FECE	
COc1ccc(C(=O)NCc2cccc(Cl)c2O)cc1OCCO	1648608776	MCOISRXBFZZPNS-UHFFFAOYSA-N	351.786	2.355	10	10	FECE	
Cc1cc(C(=O)Cn2nnn(C)c2=O)c(C)n1-c1ccc(C(C)C)cc1	1641293030	QZCLCENJLYQWQS-UHFFFAOYSA-N	353.426	2.391	10	10	FECE	
CCOc1ccccc1C(=O)NCCCC(=O)NCc1cc(O)ccc1O	1651222996	VYBVSEJRFSQPTK-UHFFFAOYSA-N	372.421	2.323	10	10	FECE	
Cc1oc(C(=O)Nc2c(Cl)ccc3nonc23)cc1S(C)(=O)=O	1586677013	KRLVVFBGPLTJHB-UHFFFAOYSA-N	355.759	2.433	10	10	FECE	
O=C(NCCCCN1CCOCC1)NCCCSc1nccs1	152250754	DFQZMLNBQFDFNH-UHFFFAOYSA-N	358.533	2.037	10	10	FECE	
Cc1cc(C)cc(N2C[C@H](C(=O)NCCc3ccc(O)c(O)c3)CC2=O)c1	1860312877	JUJZLRRWCDAARH-MRXNPFEDSA-N	368.433	2.426	10	10	FECE	
COC(=O)c1ccc(Cl)c(NC(=O)CCN2C(=O)CSC2=S)c1	1865768468	MZRJJOZBIIFOPA-UHFFFAOYSA-N	372.855	2.316	10	10	FECE	
COC(=O)[C@@H](CCNCc1cc(C)ccc1O)NC(=O)OC(C)(C)C	2028194648	DBQSGBNUKUXXAZ-CQSZACIVSA-N	352.431	2.247	10	10	FECE	
COc1ccc([C@@H](C)NCC2(NC(=O)OC(C)(C)C)COC2)c(O)c1	2034002991	ACOBFGNENYETDK-GFCCVEGCSA-N	352.431	2.345	10	10	FECE	
CC(=O)N[C@@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1	380341284	YLSIANYFQUICTN-CQSZACIVSA-N	374.485	2.277	10	10	FECE	
CC(C)[C@H](CNC(=O)COc1ccc(N)cc1)NC(=O)OC(C)(C)C	2044209618	GUFMRQLQNQIWST-HNNXBMFYSA-N	351.447	2.313	10	10	FECE	
C[C@](NC(=O)C(F)(F)F)(C(=O)N1CCC(N=[N+]=[N-])CC1)C(F)(F)F	2060638899	CDRYEPDQORLQSF-VIFPVBQESA-N	361.246	2.287	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2060633334	MNDHZQGGFFCQIN-QWHCGFSZSA-N	353.423	2.170	10	10	FECE	
CN(C)CCN(CC(=O)N1CCC(N=[N+]=[N-])CC1)C(=O)OC(C)(C)C	2060617970	UFXAVNNVJLJGSZ-UHFFFAOYSA-N	354.455	2.086	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2060611031	OMEKQWSPDDPEBG-YNEHKIRRSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccc(N)cc2)[C@@H]2CC[C@H]21	2112103146	YTAIVRSSJKXYEF-HZPDHXFCSA-N	360.458	2.291	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])CCCOC1	2218743184	IVFSXHASWRSYCI-XHBSWPGZSA-N	353.423	2.408	10	10	FECE	
CC(C)(C)OC(=O)NC12COC(C(=O)N3CCC(CN=[N+]=[N-])CC3)(C1)C2	2266069334	LWXXKZUMZPTKRS-UHFFFAOYSA-N	365.434	2.362	10	10	FECE	
O=C(NN1C(=O)C(=Cc2ccccn2)SC1=S)c1ccccc1O	2296930376	UMYKVVUPUJELQM-UHFFFAOYSA-N	357.416	2.333	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CC[C@H](C2)[C@@H]1CC(=O)C(=O)C[C@H]1C[C@H](N)C1	2309916052	OMYCICLVPLORNZ-ZSAUSMIDSA-N	350.459	2.430	10	10	FECE	
CN(CCN1CCC(C(=O)N2CC(N=[N+]=[N-])C2)CC1)C(=O)OC(C)(C)C	2339545517	XKQZOIZCNDDPHV-UHFFFAOYSA-N	366.466	2.086	10	10	FECE	
COC(=O)C1CCC(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1	179939041	GCWZOLJKUXTCEL-UHFFFAOYSA-N	374.481	2.461	10	10	FECE	
O=C(Cn1nnc2ccccc21)N(Cc1ccccc1O)C[C@@H]1CCCO1	172229558	ZUMSQRRQEZPHOB-INIZCTEOSA-N	366.421	2.345	10	10	FECE	
Cc1nc2cc(N/C=C3/C(=O)NC(=S)N(CC(C)C)C3=O)ccc2o1	60865625	ZYKYJSUKPHWRMN-GHXNOFRVSA-N	358.423	2.331	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCCN1C(=O)Cc1cccs1	122729909	GQTYWGDBRNCVDJ-HNNXBMFYSA-N	374.462	2.052	10	10	FECE	
COc1ccc(Br)c(CN2CC(F)(F)[C@](C)(N)C2)c1O	2361906390	JSUKLMOLDNCNJV-GFCCVEGCSA-N	351.191	2.332	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1	246503721	HVGDNNVRYWKKCO-GHTZIAJQSA-N	370.541	2.318	10	10	FECE	
CN[C@H](C)c1ccc(N2C[C@H](O)C[C@H]2CN(C)C)c(Br)c1	251828541	YVBHDMYFPQZREK-KWCYVHTRSA-N	356.308	2.231	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@H](O)Cc1ccccc1	813388400	NNACGEUTJWJLBO-OAQYLSRUSA-N	368.477	2.475	10	10	FECE	
C[C@@H]1Oc2ccc(C(=O)O)cc2N(OCCCOc2ccc(N)cc2)C1=O	821299737	NFHCGSRNDGRYRM-LBPRGKRZSA-N	372.377	2.482	10	10	FECE	
Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c(N(C)C)nn1	824541663	GKGNKVVYYBZODJ-UHFFFAOYSA-N	370.457	2.009	10	10	FECE	
Cn1cc([C@@H]2C[C@H]2C(=O)NCc2cc(Br)ccc2O)cn1	836786906	HBFFYUBYVKRJIU-QWHCGFSZSA-N	350.216	2.308	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](O)C[C@H]1[C@@H]1CCCOC1	838479196	OKMYZVFIHSCLKD-QRQLOZEOSA-N	361.486	2.132	10	10	FECE	
C[C@H](NC(=O)c1cc2c([nH]1)CCOC2)c1ccc(N2CCOCC2)cc1	837367027	FDHAZXIWGHVDNV-AWEZNQCLSA-N	355.438	2.415	10	10	FECE	
COC(=O)[C@@H](NC(=O)c1cc(O)cs1)c1ccc(OC)cc1OC	832324621	HZUVGHOKDLGZIE-AWEZNQCLSA-N	351.380	2.115	10	10	FECE	
C[C@@H](C(=O)NC1CC1)N1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1	835026355	VPRNQUXJIMUZKQ-BDUNBXCCSA-N	356.514	2.051	10	10	FECE	
CCN1CC[C@@H](NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1=O	670030295	QQYIGXXECBEBMW-QGZVFWFLSA-N	357.454	2.255	10	10	FECE	
COCc1cc(O)ccc1NS(=O)(=O)c1cc(OC)c(OC)cc1F	840916113	XPCKIYJYUNEWAV-UHFFFAOYSA-N	371.386	2.496	10	10	FECE	
COCCOc1cc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)ccn1	855225020	HQGVSTMZOUAUQZ-MRXNPFEDSA-N	371.437	2.124	10	10	FECE	
C[C@H](NC(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1)c1ccc(N(C)C)cc1	854005101	ZWEOKZGPODOHSV-IPYPFGDCSA-N	353.488	2.079	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCC[C@H]2CCC(F)(F)C2)cc1	929236860	DUFAIWRHZRWDQD-CYBMUJFWSA-N	353.413	2.311	10	10	FECE	
CC(C)C[C@@H]1C(=O)N(Cc2ccc(N3CCC(O)CC3)cc2)C(=O)N1C	853089261	NDLZAXLBPNBSSK-GOSISDBHSA-N	359.470	2.456	10	10	FECE	
C[C@H]1CCC[C@@H](CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)O1	851989948	MIKJPNZBJDQWKQ-HOCLYGCPSA-N	365.449	2.419	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCN(CCO)[C@@H](C)C1	860990627	KDBXNNDZUUKWHI-INIZCTEOSA-N	369.465	2.045	10	10	FECE	
O=C(c1ccc(N2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1)N1CCOCC1	866118459	ARYWRRJJVSPKJP-UHFFFAOYSA-N	369.377	2.293	10	10	FECE	
COC(=O)[C@H](C[C@H]1CCCOC1)NCc1cc(F)c(N(C)C)cc1F	862515762	BPSACWFXKJBLPD-WBMJQRKESA-N	356.413	2.479	10	10	FECE	
C[C@H](NC(=O)C(=O)N1CCCC1(C)C)c1ccc(N2CCOCC2)cc1	1117125938	AFSWSUVESBTFDP-HNNXBMFYSA-N	359.470	2.101	10	10	FECE	
CNC(=O)NC[C@@H]1CCCCN1C(=O)c1cc(C)n(-c2ccccn2)c1C	870767822	XWGKCJKWKUCEDE-INIZCTEOSA-N	369.469	2.413	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](CNCc2cc(Cl)ccc2O)[C@@H](O)C1	702817522	GIMCJNBNJQIENN-WFASDCNBSA-N	356.850	2.363	10	10	FECE	
CC(C)(CNCc1cc(Br)cc(F)c1O)CS(C)(=O)=O	723881707	CZTMAMIUCPMECH-UHFFFAOYSA-N	368.268	2.454	10	10	FECE	
C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccccc1O)N(C)C	1303717754	MKKXTBCBBYYZOG-NVXWUHKLSA-N	373.501	2.464	10	10	FECE	
COC1(CNC(=O)OC(C)(C)C)CC(C(=O)NCc2ccccc2O)C1	2124323854	DUAXEJJYRHVHDM-UHFFFAOYSA-N	364.442	2.328	10	10	FECE	
O=C(NCCc1ccsc1)C(=O)NCc1ccc(N2CCCC2)cc1	1321820064	CEMSAHAAFRPQCE-UHFFFAOYSA-N	357.479	2.323	10	10	FECE	
C[C@H](NC(=O)C(=O)NC[C@@H]1C(C)(C)C1(F)F)c1ccc(N(C)C)cc1	1328980037	IASBKDKJCLFJQS-SMDDNHRTSA-N	353.413	2.337	10	10	FECE	
COC1CC(CCNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1	1329622094	YUIQAMAHVDPYDW-UHFFFAOYSA-N	373.497	2.175	10	10	FECE	
Cc1cccc(CN=c2nc(C3CN(C(=O)OC(C)(C)C)C3)[nH][nH]2)c1O	2127694253	VFWNSAMERPGFMX-UHFFFAOYSA-N	359.430	2.187	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(CCNCc2ccc3c(c2)CCO3)CC1	105443964	CQNXIMZWUBSALY-UHFFFAOYSA-N	361.486	2.264	10	10	FECE	
C[C@H](NC(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc12)c1ccccc1O	1454812842	DBCJLDOBPMZJAX-NWDGAFQWSA-N	352.394	2.264	10	10	FECE	
CN1CCCc2cc(CNCC3(O)CN(C(=O)OC(C)(C)C)C3)ccc21	1918713269	DYSXNQLUZLLDDT-UHFFFAOYSA-N	361.486	2.140	10	10	FECE	
COCCn1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1O	1619920224	NGXSJHHJYGAFNB-UHFFFAOYSA-N	353.426	2.252	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3CCOC3(C)C)CC2)c(OC)c1	1635417639	UIUNVBGHPPKVGZ-QGZVFWFLSA-N	363.458	2.103	10	10	FECE	
CC(C)CN1CCC[C@@H]1C(=O)NCc1ccc(N2CCN(C)CC2)cc1	1636779720	QCUBVHIPVHNCPO-HXUWFJFHSA-N	358.530	2.175	10	10	FECE	
Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)c3c(F)ccc(O)c3O)n2)c1	1654531380	UJBQOGLGTITBJE-VIFPVBQESA-N	357.345	2.216	10	10	FECE	
CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@]1(O)CCOC1	1763506626	IUKOGDUSBAHRKO-KUHUBIRLSA-N	360.458	2.285	10	10	FECE	
COc1ccc(N2CCN(C(=O)NC[C@@H]3CCCCN3C)CC2)cc1F	1687776357	HXDZJVUIHMZOHZ-INIZCTEOSA-N	364.465	2.150	10	10	FECE	
CCn1c(-c2ccccc2)cnc1SCc1cc(=O)n(C)c(=O)n1C	11395522	QJAWXQGZTWDDHC-UHFFFAOYSA-N	356.451	2.260	10	10	FECE	
CS(=O)(=O)C[C@@H]1CCCN1Cc1cc(Br)cc(F)c1O	2151230052	FNGXDNUCYPIZFA-NSHDSACASA-N	366.252	2.303	10	10	FECE	
O=S1(=O)CC[C@]2(CCCN2c2ccc(CO)c(Br)c2)C1	2158453408	JEHROZBXNNKBTA-CQSZACIVSA-N	360.273	2.099	10	10	FECE	
O=S1(=O)CCC[C@@H](NCc2cc(Br)cc(F)c2O)CC1	715825833	GEHJILWIAHVSFN-LLVKDONJSA-N	366.252	2.351	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@]3(O)CCC34CN(C(=O)OC(C)(C)C)C4)ccc21	2179699117	BCSOUISDITYHLO-DYESRHJHSA-N	373.497	2.441	10	10	FECE	
C[C@H](CCCNC(=O)COc1ccc(N)cc1)NC(=O)OC(C)(C)C	2044229725	ZFJNFVQNFYSQGO-CYBMUJFWSA-N	351.447	2.457	10	10	FECE	
CC(C)(CNC(=O)OC(C)(C)C)CNS(=O)(=O)Cc1ccc(N)cc1	2044244558	WNHGTFWKYCFKEM-UHFFFAOYSA-N	371.503	2.239	10	10	FECE	
C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)Cc1ccc(N)cc1	2044650748	QNXVVQLMUZSLQG-IUODEOHRSA-N	369.487	2.086	10	10	FECE	
C[C@@H](CN(C)C(=O)CCOc1ccc(N)cc1)NC(=O)OC(C)(C)C	2044641311	KWVUPQLYPKNPFK-ZDUSSCGKSA-N	351.447	2.409	10	10	FECE	
Cc1cccc(O)c1CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO	2052724064	YODXCOUMOVEWAZ-GDBMZVCRSA-N	350.459	2.408	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1[C@@H](C(=O)NCc2ccccc2O)C1(F)F	2060062924	IDZFGVZEVKXXKF-YPMHNXCESA-N	356.369	2.414	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(C)OC[C@@H]1C(=O)N1CC[C@@H](N=[N+]=[N-])C1	2060612250	DMVYMEVRAYLVMV-VXGBXAGGSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)CCOC1	2060638878	BWZJLZHFSOUYOH-MLGOLLRUSA-N	353.423	2.362	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COC[C@]1(C)C(=O)N1CCC(N=[N+]=[N-])CC1	2060634172	WNAJXYJQZUJSLX-LRDDRELGSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H](CN=[N+]=[N-])C1)[C@@H]1CCOC1	2060621955	UBRGOVUGZGVREM-UPJWGTAASA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@H](N=[N+]=[N-])C1)[C@@H](O)C(C)(C)C	2072691512	ZRXRQUAFNPAYIV-GRYCIOLGSA-N	355.439	2.198	10	10	FECE	
CC(C)(C)OC(=O)N1CC=C[C@]1(C)C(=O)NCCc1ccc(O)c(O)c1	2228871802	VFCQTPIIQMEXSH-LJQANCHMSA-N	362.426	2.322	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)OC1	2253765544	ICYHEKUNHGJIHQ-STQMWFEESA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)NCCCCN=[N+]=[N-])[C@@H](O)C(F)(F)F	2254150380	KTJAAMVQWWIFRC-DTWKUNHWSA-N	369.344	2.010	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O1	2260803715	MGWJBRLVAJWRBS-FRRDWIJNSA-N	353.423	2.170	10	10	FECE	
C[C@H]1CNc2c(C(=O)NCc3cc(Br)ccc3O)cnn2C1	1347066176	MGTFWUGKPPAVSK-VIFPVBQESA-N	365.231	2.343	10	10	FECE	
Cc1cc(O)cc(=O)n1[C@H](C)C(=O)NCc1ccc(N2CCCC2)cc1	178057965	UIDYTNXDVAREHY-OAHLLOKOSA-N	355.438	2.340	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H]3[C@@H]3CCCOC3)C2)cc1	1346506835	MUHHTOHTTNOYPA-JTDSTZFVSA-N	359.470	2.484	10	10	FECE	
O=C1C[C@H](c2ccccc2)N(C(=O)/C=C/c2ccc(O)c(O)c2)CCN1	180673103	RWPYJGYUEMSFHL-MNDMWVCDSA-N	352.390	2.201	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCc3cccc(OC)n3)CC2)cc1	194652620	FVXLOFGPSMZCNC-UHFFFAOYSA-N	356.426	2.131	10	10	FECE	
COc1ccccc1OCC(=O)N1CCN(c2ccc3c(c2)OCO3)CC1	244454742	ZDVYCJUXOGOJPF-UHFFFAOYSA-N	370.405	2.152	10	10	FECE	
COCc1cc(NC(=O)/C=C\c2ccc(N3CCOCC3)cc2)ncn1	255346668	ICTAGFFRQQEPAD-DAXSKMNVSA-N	354.410	2.112	10	10	FECE	
Cc1cc(N2CCC[C@@H](NC(=O)N(C)Cc3ccccc3O)C2)n(C)n1	278370562	KMELUFCPBPHZDX-MRXNPFEDSA-N	357.458	2.245	10	10	FECE	
CNCC(F)(F)C(=O)N(C)Cc1ccc(C)c(Br)c1O	2381138067	LQHODDIMBGQTTP-UHFFFAOYSA-N	351.191	2.276	10	10	FECE	
CC(=O)C(=O)COC(=O)CSc1nnc(-c2cccs2)n1C1CC1	808513376	AKQWFXMUPIPRJP-UHFFFAOYSA-N	365.436	2.135	10	10	FECE	
Cc1cc(C(=O)CN2CC[C@@](F)(CO)C2)c(C)n1-c1ccc2c(c1)OCO2	802011572	CFBLDLNEYJRTSH-FQEVSTJZSA-N	374.412	2.412	10	10	FECE	
CCN(CCc1nccs1)C(=O)C(=O)NCc1ccc(N(C)C)cc1C	807099442	VVZBXQMIRASVSV-UHFFFAOYSA-N	374.510	2.225	10	10	FECE	
Cc1cc(NC(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)n[nH]1	567602739	WORKGBSLJGIWMU-UHFFFAOYSA-N	351.454	3.078	10	10	FECE	
COC(=O)[C@H]1CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1	728195922	LVMMVTKGFNIKGC-AWEZNQCLSA-N	355.390	2.324	10	10	FECE	
COc1cccc(N2C[C@H](NC(=O)N(C)Cc3ccccc3O)CC2=O)c1	726274535	DXLAWRADANCZOF-OAHLLOKOSA-N	369.421	2.348	10	10	FECE	
CN1C(=O)N[C@](C)(c2ccc(NCc3cc4c(cc3O)OCO4)cc2)C1=O	848563655	XWXNEEXNPMIQHV-LJQANCHMSA-N	369.377	2.130	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N[C@H](C)c3nnc(O)n3C)cc2)CC1	917523092	MQQUFOKUKPGPLB-CQSZACIVSA-N	372.473	2.317	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cccc4c3oc(=O)n4C)C2)cc1	855232943	CNLPISDLYZNDFE-ZDUSSCGKSA-N	367.405	2.149	10	10	FECE	
CO[C@@H](CNC(=O)NCc1cc(Br)ccc1O)[C@@H]1CCOC1	852436699	MDWGAAVCMREGJC-YGRLFVJLSA-N	373.247	2.005	10	10	FECE	
CCO[C@H](C(=O)NCc1cccc(Br)c1O)[C@H]1CCOC1	867831416	YJXRBXPJPVGWLH-FZMZJTMJSA-N	358.232	2.213	10	10	FECE	
O=C(NCc1cccc(Br)c1O)c1nc(=O)c2ccccc2[nH]1	766237345	ZXCBMDAQJICEMR-UHFFFAOYSA-N	374.194	2.321	10	10	FECE	
OCc1ccnc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1	767201254	DTVHUOPHIJKYOD-UHFFFAOYSA-N	353.470	2.113	10	10	FECE	
O=S(=O)(N[C@@H]1CCCC[C@H]1N[C@H]1CCc2cccc(O)c21)C1CC1	866493266	YVRLMNFDJYDZKR-OAGGEKHMSA-N	350.484	2.362	10	10	FECE	
Cc1ccc(CNC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c(Cl)n1	1119576363	IHIDNXPGMDNITL-UHFFFAOYSA-N	374.872	2.384	10	10	FECE	
CCN(CC)C(=O)[C@H]1CCCN1Cc1ccc(N2CCN(C)CC2)cc1	775664675	UIASSHQIYFPORQ-HXUWFJFHSA-N	358.530	2.271	10	10	FECE	
Cc1nccnc1N1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1	897659904	PTVCZQDPSMCNJV-UHFFFAOYSA-N	370.434	2.373	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cnc(CC2CC2)nc1	792960499	YTSHISJNRSXBFF-UHFFFAOYSA-N	367.453	2.092	10	10	FECE	
CC(C)c1nn(C)cc1NC(=O)C(=O)NCCCSc1nccs1	796909446	HWOBDGHYRYLLDX-UHFFFAOYSA-N	367.500	2.237	10	10	FECE	
CN1CCCc2cc(CNC(=O)/C=C\c3ccc(S(C)(=O)=O)o3)ccc21	1328821099	XBFYMTRFXAGIIQ-TWGQIWQCSA-N	374.462	2.395	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)Nc1ccnnc1	1330867744	PMOBMHBBTRHSPB-UHFFFAOYSA-N	366.469	2.330	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@H]1[C@@H](O)c1ccccc1	1348672780	NWEROINWUDLPIA-HKUYNNGSSA-N	368.433	2.075	10	10	FECE	
Cc1c(Br)cnn1CC(=O)NCc1ccc(N(C)C)c(F)c1	1351739218	XLNKRTFKWQZNEK-UHFFFAOYSA-N	369.238	2.476	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1CCCCN1CCOCC1	1513794676	MSVDQPMYANWOSQ-UHFFFAOYSA-N	373.501	2.295	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1	1441103549	ZVTMXJFKCHOHSY-KRWDZBQOSA-N	356.378	2.397	10	10	FECE	
O=C(Nc1ccccc1)NC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1	1464444916	OBKXGULQIMMECL-UHFFFAOYSA-N	369.421	2.453	10	10	FECE	
CCn1c(S)nc2cc(C(=O)NCc3cccc(O)c3O)ccc2c1=O	1558159939	PHFIZSAMNVUNGM-UHFFFAOYSA-N	371.418	2.046	10	10	FECE	
COc1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1OCCO	1632223503	KFNDUKMMRSJKNB-UHFFFAOYSA-N	351.786	2.355	10	10	FECE	
CC(C)(C)OC(=O)NCC1(O)CC(C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C1	2124541973	YMTBJJXFSTWXJC-UIORMTCPSA-N	367.450	2.344	10	10	FECE	
O=S(=O)(Nc1ccc(O)cc1F)N1CC(OCc2ccccc2)C1	1998740290	VTFKBMBKCCRZNI-UHFFFAOYSA-N	352.387	2.089	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@H](CNCc2cccc(O)c2O)CO1	2041186372	DBLVIGQVKQGZIR-TZMCWYRMSA-N	352.431	2.117	10	10	FECE	
C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)c1ccccc1O	2192617839	NOURVIVQRFITJC-WFASDCNBSA-N	374.441	2.429	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)NCCN=[N+]=[N-])[C@@H]2CCO[C@H]2C1(C)C	2060619859	RXNXIJGVGRZYLI-UVWXRNBGSA-N	353.423	2.121	10	10	FECE	
CO[C@@H](CCNC(=O)OC(C)(C)C)C(=O)N1CCC(CN=[N+]=[N-])CC1	2060610884	MUKUUJCWHYJMMT-ZDUSSCGKSA-N	355.439	2.465	10	10	FECE	
N[C@H]1C(=O)Nc2cc(N3Cc4ncsc4C3)c(Br)cc21	2201379295	FILQDRCWPKFHHA-GFCCVEGCSA-N	351.229	2.378	10	10	FECE	
C[C@@H]1CC[C@H](S(C)(=O)=O)CN1c1ccc(CO)c(Br)c1	2279400822	IBEYIOXMGKKDNX-MFKMUULPSA-N	362.289	2.343	10	10	FECE	
Cc1cccc(N2C(=O)C(=CNN3CCCCCC3)C(=O)NC2=S)c1	2296079381	KYJYFBNRYSBNEX-UHFFFAOYSA-N	358.467	2.007	10	10	FECE	
COc1cccc(CNC(=O)C=Cc2ccc(N3CCOCC3)cc2)n1	2297505690	LSGJYUYPSASPJH-UHFFFAOYSA-N	353.422	2.256	10	10	FECE	
Cc1ccc([C@@](C)(O)CNC(=O)C=Cc2ccc(N3CCOCC3)cc2)o1	2297824788	CZPSEIMDXMHNIF-NRFANRHFSA-N	370.449	2.462	10	10	FECE	
COc1ccccc1N1CCN(C(=O)C=Cc2ccc(O)c(O)c2)CC1	2307978289	DQXPWPPPHWIEGT-UHFFFAOYSA-N	354.406	2.468	10	10	FECE	
C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)C(=O)NCc1ccco1	101609647	SGNXDSXBWRKSAA-AWEZNQCLSA-N	370.453	2.166	10	10	FECE	
CCN(CC)c1ccc(-c2nc3c(c(=O)[nH]c(=O)n3CC)n2CC)cc1	195512279	XWJYTTVANMECPO-UHFFFAOYSA-N	355.442	2.439	10	10	FECE	
COc1ccc(N2CCN(c3cncc(C(=O)NC4CC4)c3)CC2)cc1	243853416	RGLSLFGLJHTQDZ-UHFFFAOYSA-N	352.438	2.309	10	10	FECE	
C[C@@H](NCCCCN1CCC[C@H]1CO)c1ccc(N2CCOCC2)cc1	248200770	YQEDLEZJUHMFDZ-NQIIRXRSSA-N	361.530	2.411	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NCCCN2CCCC2=O)cc1F	264490247	BBMBCNKKJPMJDP-UHFFFAOYSA-N	364.465	2.484	10	10	FECE	
COC(=O)[C@@]1(NC(=O)c2cc(C)n(-c3ccccn3)c2C)CCSC1	270604733	DIFQTJRKQRXWNI-GOSISDBHSA-N	359.451	2.268	10	10	FECE	
C[C@@]1(CCC(=O)NCc2cc(Br)ccc2O)CCC(=O)N1	804740967	QRAMYRZFRCFQDP-OAHLLOKOSA-N	355.232	2.220	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cc2nc[nH]c2cc1F	816899278	QDAKRTAWFXLKIX-UHFFFAOYSA-N	354.385	2.469	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3cnn(C)c3SC)C2)cc1	819587053	DKHYQBZDHJJEMI-CYBMUJFWSA-N	360.483	2.407	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)NCc3cccc(OC)n3)C2)cc1	824271729	MZPDXEVGGJAVDY-OAHLLOKOSA-N	370.453	2.425	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3CCO[C@@]4(CCSC4)C3)ccc21	826019456	FUDXZOZEEVVTPS-IBGZPJMESA-N	361.511	2.487	10	10	FECE	
C[C@H](NC(=O)N1C[C@H](O)C[C@H]1[C@@H]1CCCOC1)c1ccc(N(C)C)cc1	838559165	KSXJBHASKSESQL-WLWJZTKJSA-N	361.486	2.385	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NCC[C@@H]2CC(=O)N(C)C2)cc1F	917616960	LRHQJIMZJWSTNJ-OAHLLOKOSA-N	364.465	2.340	10	10	FECE	
CC[C@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)[C@H](O)C(F)F	837882579	PUBMRVDEOREFOC-KCXAZCMYSA-N	371.428	2.288	10	10	FECE	
O=C(NCc1cccc(Br)c1O)c1cn(C2CCC2)nn1	843866888	HYUXDFWLTZPNBA-UHFFFAOYSA-N	351.204	2.401	10	10	FECE	
CCS[C@@H]1CC[C@@H](N(C)Cc2cc(O)n3ncc(C(=O)O)c3n2)C1	846255424	FUDRXNYSRXEOPC-VXGBXAGGSA-N	350.444	2.239	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2C(=O)NCC23CCOCC3)cc1	923957471	PKALWXHUBHQMSH-SFHVURJKSA-N	367.449	2.119	10	10	FECE	
O=S(=O)(CCc1ccc2c(c1)CCO2)NCc1c(O)cccc1F	921452345	MABDCSNUVGZOEW-UHFFFAOYSA-N	351.399	2.128	10	10	FECE	
COC(=O)c1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c(C)o1	854198752	QHGMYBYFJLCBKK-UHFFFAOYSA-N	358.394	2.346	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@]2(OC(C)C)CCOC2)c1	925747618	PHIRLYBRAJOOOV-FZKQIMNGSA-N	352.431	2.345	10	10	FECE	
COc1ccc(N2CC[C@H](NCc3ccc(S(C)(=O)=O)cc3)C2)cc1	850346404	UKEZPOAGSDCHJM-INIZCTEOSA-N	360.479	2.467	10	10	FECE	
C[C@@H]1CCC[C@@H](CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)O1	852580009	DPOCTTKSEBUKCO-BEFAXECRSA-N	361.486	2.405	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3CCCn4nccc43)CC2)cc1F	869217544	ASAGZLBCOMLVSF-MRXNPFEDSA-N	373.432	2.398	10	10	FECE	
Cc1nc(O)c(C(=O)NCc2cccc(Br)c2O)nc1C	765767738	DVANOGLNWPXFNE-UHFFFAOYSA-N	352.188	2.197	10	10	FECE	
O=C1[C@@H](NCc2cccc(Br)c2O)CCN1C1CCOCC1	776231110	LSNKCIDYWSMHRX-AWEZNQCLSA-N	369.259	2.024	10	10	FECE	
O=C(NCC[C@@H]1CCOC1)NCc1ccc(N2CCC(CO)CC2)cc1	784539414	ZIOPECPMHZKTBS-GOSISDBHSA-N	361.486	2.121	10	10	FECE	
COCCN1CCCN(Cc2cc(C)cc(Br)c2O)CC1=O	787441046	MLSNFNSSLQCAFU-UHFFFAOYSA-N	371.275	2.144	10	10	FECE	
CC[C@H](NC(=O)C(=O)NCCCSc1nccs1)[C@@H]1CCCOC1	897730828	SVKOYEIVAIEINN-OLZOCXBDSA-N	371.528	2.063	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H]3CCCc4n[nH]cc43)cc2)C1	796700141	CPZUGPLOTYGSJI-QAPCUYQASA-N	353.470	2.279	10	10	FECE	
CCOc1cc(NCCN2CCN(c3ccc(OC)cc3)CC2)nc(C)n1	1306946170	JZVJOEGXBLEODA-UHFFFAOYSA-N	371.485	2.426	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccnc1N1CCC(O)CC1	1301688554	RDNHRZSFPBDSGR-XQRVVYSFSA-N	355.394	2.106	10	10	FECE	
Cc1nnc(N(C)CCCCCO)n1Cc1ccc(N2CCOCC2)cc1	1304798194	KOGKRLMBSQQYAB-UHFFFAOYSA-N	373.501	2.070	10	10	FECE	
C[C@H](NCc1ccc(S(C)(=O)=O)o1)c1ccc(N2CCOCC2)cc1	1168802352	ZWQMUPDDKBPKPO-AWEZNQCLSA-N	364.467	2.371	10	10	FECE	
C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1cccc(O)c1O	1965172296	KZAMWSLGYSIPKH-WCQYABFASA-N	350.415	2.473	10	10	FECE	
CS(=O)(=O)Cc1cccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)c1	1442972180	WUGXWSSZDZEWBE-UHFFFAOYSA-N	374.422	2.324	10	10	FECE	
COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCc1cc(C)ccc1O	1453652639	SUQMOLREMCXWEQ-UHFFFAOYSA-N	373.800	2.268	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1	1467235057	GYRHJIPQCGOBBT-CYBMUJFWSA-N	350.415	2.156	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(F)c(O)c3)cc2)C1	1464358269	APTPVRIYWAVUKO-OAHLLOKOSA-N	371.412	2.163	10	10	FECE	
C[C@@H](NC(=O)[C@H]1CC(C(=O)OC(C)(C)C)=NO1)c1ccc(N(C)C)cc1	1634447968	FLFUVKKWQJENIC-MLGOLLRUSA-N	361.442	2.416	10	10	FECE	
CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)NCc1c(O)cccc1O	1647268782	CEQRSYMSICCJFR-GOSISDBHSA-N	371.437	2.238	10	10	FECE	
Cc1cc(C(=O)N2CC=C(N)N2)c(C)n1-c1ccc(Br)cn1	1644883723	GZJLDOJDHGSNQJ-UHFFFAOYSA-N	362.231	2.012	10	10	FECE	
CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@]1(O)CCOC1	1763506625	IUKOGDUSBAHRKO-IFXJQAMLSA-N	360.458	2.285	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)CCN1C(=O)OC(C)(C)C	2132411211	SYRVAOCQSXJUHY-ZYHUDNBSSA-N	366.414	2.321	10	10	FECE	
Cc1cccc(CNC(=O)C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1O	2139758467	RNFYALJEGZPMLS-LJQANCHMSA-N	364.442	2.079	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@@H]2C[C@H]21	2136256115	MQKXVQONMVXBHC-HZSPNIEDSA-N	362.426	2.154	10	10	FECE	
CN(C)Cc1cc(C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)ccc1O	1951683260	JLLNCYMZYJZTRV-QGZVFWFLSA-N	372.421	2.376	10	10	FECE	
C[C@H](CNC(=O)CCOc1ccc(N)cc1)CNC(=O)OC(C)(C)C	2044209740	GZFGIPVHZZCEHL-CYBMUJFWSA-N	351.447	2.315	10	10	FECE	
COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2060613963	XDATUDYYLRPABG-OLZOCXBDSA-N	355.439	2.465	10	10	FECE	
CN(CC(=O)N(C)c1ccc(N)cc1)C[C@@H]1CCN1C(=O)OC(C)(C)C	2106742289	LNNOZHUPNDVZPT-INIZCTEOSA-N	362.474	2.173	10	10	FECE	
CCN1CCc2cc([C@H](N)[C@@H](O)C3CN(C(=O)OC(C)(C)C)C3)ccc21	2106859630	LKVUBOZFNIGZEN-ROUUACIJSA-N	361.486	2.297	10	10	FECE	
CC(C)(C)OC(=O)NC1[C@H]2CN(CCC(=O)Nc3ccc(N)cc3)C[C@H]12	2107820804	VUBOTFIJFZCYCX-GJZGRUSLSA-N	360.458	2.052	10	10	FECE	
C[C@H](NC[C@H]1COC2(CCOCC2)O1)c1ccc(N2CCOCC2)cc1	179975896	ACFDVLBOUFXPJK-LPHOPBHVSA-N	362.470	2.096	10	10	FECE	
O=c1[nH]c2ccccc2c(=O)n1Cc1ccc(N2CCSCC2)cc1	53086812	UUEVLOTYJJZRPB-UHFFFAOYSA-N	353.447	2.291	10	10	FECE	
CN1C(=O)CC[C@H](C(=O)NCCc2ccc(O)c(O)c2)[C@H]1c1ccccc1	179093780	ZBSXEYKHNCQYEN-OXJNMPFZSA-N	368.433	2.366	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3CCN4CCC[C@@H]4C3)CC2)cc1	171906697	JTIGJJHKOCJTGM-GOSISDBHSA-N	358.486	2.154	10	10	FECE	
CC[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CCN1C[C@@H](C)O	184864816	DJYCGCYMMQRXBD-IEBWSBKVSA-N	374.529	2.273	10	10	FECE	
c1cnnc(N2CCCN(Cc3ccc(N4CCOCC4)cc3)CC2)c1	93150276	XZGPCTXRWWXWDU-UHFFFAOYSA-N	353.470	2.026	10	10	FECE	
Cn1ncnc1CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	255429744	IPHXNZACZDZTPJ-UHFFFAOYSA-N	363.381	2.485	10	10	FECE	
COc1cc(N2CCN(C(=O)N[C@@H]3CC3(C)C)CC2)cc(OC)c1OC	273904595	HKLRHEUBUMYIOS-MRXNPFEDSA-N	363.458	2.343	10	10	FECE	
COc1ccc(O)c(CN2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)c1	377917811	MROIOLXZXNAAJH-ZBFHGGJFSA-N	368.433	2.410	10	10	FECE	
O=S1(=O)CCCN1[C@H]1CCCN(Cc2cc(Cl)c(F)cc2O)C1	294625852	JLCPHIHVSKUZGA-LBPRGKRZSA-N	362.854	2.185	10	10	FECE	
C[C@H]1CC[C@@H](C)CN1C(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	803302345	MIXZAACGBQUVFR-IXDOHACOSA-N	373.497	2.347	10	10	FECE	
CN(Cc1ccccc1O)C(=O)c1nc2ccc(Br)cn2n1	809426444	LXAZZUJACHUYNP-UHFFFAOYSA-N	361.199	2.470	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](CO)CCF)C1	652911840	UDEHKNVEUVJQCT-OAHLLOKOSA-N	361.461	2.245	10	10	FECE	
CSC[C@@H]1NC(=O)N(Cc2ccc(N3CCSCC3)cc2)C1=O	904149759	CHHXNQRWTQWPNI-AWEZNQCLSA-N	351.497	2.023	10	10	FECE	
CC(C)[C@@H](CO)ONC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	836894978	HHYUGDNXXLYKKZ-HXUWFJFHSA-N	373.497	2.473	10	10	FECE	
COc1ccc(O)c(CNC(=O)C(=O)Nc2ccnn2C2CCCCC2)c1	743909874	KCOSVIVHPSJXSH-UHFFFAOYSA-N	372.425	2.357	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])cnc3C)C2)cc1	855229325	MTVWNDFEWKNNCL-CYBMUJFWSA-N	356.382	2.316	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc(-n4cncn4)cc3)C2)cc1	855228739	FQPABDHMGQVERS-INIZCTEOSA-N	363.421	2.285	10	10	FECE	
Cc1cn2c(n1)C[C@@H](C(=O)NCc1ccc(N3CCOCC3)c(F)c1)CC2	858626050	LUBCBLBMPCJUJA-INIZCTEOSA-N	372.444	2.046	10	10	FECE	
COc1ccc(O)c(CNC(=O)NCc2cnc(C(F)(F)F)nc2)c1	853736648	JAXCAMZFIVXTRI-UHFFFAOYSA-N	356.304	2.209	10	10	FECE	
Cc1noc([C@@H]2OCC[C@@H]2NCc2cc(Cl)cc([N+](=O)[O-])c2O)n1	858327696	WFKOEGAPIGKHOT-GXFFZTMASA-N	354.750	2.265	10	10	FECE	
CCN1CCC[C@H](CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	852456596	ZEMGRLSOTXDXOM-IAGOWNOFSA-N	360.502	2.305	10	10	FECE	
CC1(CNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCC1	752025448	WYBCHDXQTMJBSN-MRXNPFEDSA-N	358.486	2.378	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)N[C@@H]3CC34CCCC4)CC2)cc1	758525585	WNFOWYLHANFQDV-LJQANCHMSA-N	372.513	2.449	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)c2cncc(N3CCCC3=O)c2)c1	860242048	OLWOYPUPDHCXDX-GFCCVEGCSA-N	355.394	2.414	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2C[C@H]3COC[C@@H](C2)O3)c1	861562041	KGEZPTXBRNTSMR-KDURUIRLSA-N	354.406	2.146	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)/C=C\c1ccc(O)c(O)c1	862063308	FBSARKNWZVMWPO-CTPRDUKJSA-N	360.410	2.235	10	10	FECE	
O=C(N1Cc2cccc(O)c2C1)C(F)(F)C(=O)N1Cc2cccc(O)c2C1	866100288	OTMYZJNPWQRDHR-UHFFFAOYSA-N	374.343	2.118	10	10	FECE	
CC[C@@H](C)NC(=O)[C@H](C)NCc1c(C(=O)OC)n(C)c2ccc(F)cc12	894387258	VQFOITPIYOUGMC-NEPJUHHUSA-N	363.433	2.497	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCN(C(C)(C)C)C3=O)C2)cc1	898580178	DEPUEDLCKYEPTM-YJBOKZPZSA-N	373.497	2.427	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cc([C@@H]4CCCN4C)[nH]n3)C2)cc1	898580154	CXXIHTSLSVUCFT-KUHUBIRLSA-N	369.469	2.194	10	10	FECE	
Cc1cc(CCNC(=O)C2(S(C)(=O)=O)CC2)c(C)n1-c1ccccc1	792032957	MRPPOTXPYOAPSX-UHFFFAOYSA-N	360.479	2.330	10	10	FECE	
C[C@@H]1CO[C@H](C(F)(F)F)CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1	796304822	LMLKADWBCKDHHQ-CJNGLKHVSA-N	373.419	2.363	10	10	FECE	
CC(C)[C@@H](C(=O)NCc1c(O)cccc1O)N1C(=O)c2ccccc2C1=O	1304050161	JJXPNWZAMWUUJQ-KRWDZBQOSA-N	368.389	2.035	10	10	FECE	
COC[C@@H](C(N)=O)N(C)C(=O)c1cc(-n2c(C)ccc2C)ccc1Cl	1325053329	BNYVEQZNGSCIFB-INIZCTEOSA-N	363.845	2.320	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NCc2ccc(F)c(F)c2O)C1	2116270659	RNCJUWBJVCFAFJ-OCCSQVGLSA-N	372.412	2.378	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3[C@H]4CCC[C@H]43)cc2)CC1	1322815226	CKYQSOCXLVMTLB-REPLKXPHSA-N	355.482	2.454	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc3c(c2)CCCO3)[C@@H](O)C1	1621039120	UQNBCNDRZACDKV-IRXDYDNUSA-N	362.470	2.472	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CCC[C@H](F)C3)nc12	1331990317	VIDVRYYGBSHTHA-MNOVXSKESA-N	365.361	2.183	10	10	FECE	
CCOC(=O)C1=CC[C@H](NCc2ccc(N3CCN(C)CC3)c(F)c2)C1	1261830220	OICFASKYMWYRMY-KRWDZBQOSA-N	361.461	2.319	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)NC1CCC=CCC1	1333976823	AXDMBMIJDIIZAI-UHFFFAOYSA-N	371.481	2.097	10	10	FECE	
CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCc1cccc(O)c1O	1349079207	MBCMFVREQBHMIW-QGZVFWFLSA-N	354.406	2.250	10	10	FECE	
Cc1ccc(NCCCNC(=O)Cc2ccc(O)c(O)c2)c([N+](=O)[O-])c1	1444384332	FITUAVAEHNYEPF-UHFFFAOYSA-N	359.382	2.475	10	10	FECE	
CC1(C)C(=O)N(Cc2ccccc2)CCN1C(=O)Cc1ccc(O)c(O)c1	1298564511	HDTIWHRXOUFCCW-UHFFFAOYSA-N	368.433	2.290	10	10	FECE	
O=C(c1ccnc2[nH]c(O)nc12)N(Cc1ccccc1O)C[C@@H]1CCCO1	1295405838	MPNWSAFOXBRRKR-ZDUSSCGKSA-N	368.393	2.191	10	10	FECE	
O=C(CNC(=O)Nc1cccc(Cl)c1)NCCc1ccc(O)c(O)c1	1465982277	ZZFXYAFOKWTRPO-UHFFFAOYSA-N	363.801	2.232	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCN(Cc2ccc(Cl)nc2)CC1	1617563896	JGUPMLREWATXBR-UHFFFAOYSA-N	361.829	2.033	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1	1556568629	ZRXBBHYSEFPAQM-CMPLNLGQSA-N	358.320	2.482	10	10	FECE	
CS(=O)(=O)Cc1cccc(C(=O)NCc2ccc3cccnc3c2O)c1	1627069366	LIUVSEOEKSPRCX-UHFFFAOYSA-N	370.430	2.415	10	10	FECE	
CCOC(=O)CN1C(=O)/C(=C\c2ccc(C(=O)O)cc2)SC1=S	6076269	PFTCOKGPPXBFPK-YRNVUSSQSA-N	351.405	2.149	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)c1cc(Br)cn2ccnc12	1630273271	LRUJHOYDLWPPDP-UHFFFAOYSA-N	362.183	2.438	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)Cc3cn(C)nn3)ccc21	1651270059	NBVUAQQVKXRMDF-CYBMUJFWSA-N	369.469	2.394	10	10	FECE	
CC1(C)[C@H](CNCc2ccc(Br)cc2O)CCS1(=O)=O	1967856991	CHEBPNLYSYFPCY-NSHDSACASA-N	362.289	2.458	10	10	FECE	
Nc1cc2c(cc1N1CC(NC(=O)OCc3ccccc3)C1)OCCO2	1977945212	MIUYSMPRAVMTTB-UHFFFAOYSA-N	355.394	2.155	10	10	FECE	
CCN1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1=O	2158787408	NKNUSZSNDPJYGA-UHFFFAOYSA-N	374.485	2.231	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@](F)(CNC(=O)Cc2ccc(N)cc2)C1	2044230872	NFWLNIBSXSHSBN-UJKQEGAGSA-N	351.422	2.323	10	10	FECE	
CC(C)(C)OC(=O)NCCCONC(=O)CCOc1ccc(N)cc1	2044234532	FELIGHWNCFCXOC-UHFFFAOYSA-N	353.419	2.000	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])CO1	2060610377	HEVRUBPMKLBTKL-UPJWGTAASA-N	353.423	2.218	10	10	FECE	
C[C@H]1COC[C@@H](C(=O)N2CCC(N=[N+]=[N-])CC2)N1C(=O)OC(C)(C)C	2060621166	KQOLLNGDGXAJNI-AAEUAGOBSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2073245293	GQBJZMXVSXZLFQ-QWHCGFSZSA-N	355.439	2.201	10	10	FECE	
COC(=O)C1(NC(=O)OC(C)(C)C)CC(COc2ccc(N)cc2)C1	2078124093	AONPLAGUKHKANH-UHFFFAOYSA-N	350.415	2.494	10	10	FECE	
C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1CC(=O)Nc1ccc(N)cc1	2106763577	CZOCZRQUOSJRFG-KBPBESRZSA-N	362.474	2.442	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(CCC(=O)Nc3ccc(N)cc3)C[C@@H]21	2107818961	VUBOTFIJFZCYCX-QLPKVWCKSA-N	360.458	2.052	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4C[C@H](O)[C@H]4C3)ccc(N)c2C1	2095036011	RBZUEZPWXNISRP-YEWDVWPNSA-N	359.470	2.379	10	10	FECE	
CCN1C(=O)C(=CNc2ccc3oc(C)nc3c2)C(=O)N(CC)C1=S	60865622	ZISZHVYAJHEEAO-UHFFFAOYSA-N	358.423	2.428	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCC(Nc3cccnn3)CC2)cc1	124478295	AQTSSPVXPCVCMQ-UHFFFAOYSA-N	354.458	2.329	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N(CCN(C)C)c2ccccc2)c1	255715899	UMOATESQHLQPKI-KTKRTIGZSA-N	352.438	2.049	10	10	FECE	
CN(Cc1ccccc1O)C(=O)NCCCN1C(=O)COc2ccccc21	266756206	HNYJZYVSXRCBBB-UHFFFAOYSA-N	369.421	2.349	10	10	FECE	
C[C@H](CCNC(=O)NCc1cc(Br)ccc1O)[S@](C)=O	805217945	QXQHRMSISTZFEY-YBYGRFCBSA-N	363.277	2.111	10	10	FECE	
COc1ccc(N2CCN(CCN[C@@H]3CCC[C@H]3[C@H]3CCCN3)CC2)cc1	817893498	FYVYJCIMUKUZGK-YPAWHYETSA-N	372.557	2.328	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)C2	819398019	HPAVQUISOBHKBR-APYUEPQZSA-N	362.426	2.445	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)c1cnc2[nH]c(O)nc2c1	811522670	DBIMXBNXSGMZCN-UHFFFAOYSA-N	363.171	2.062	10	10	FECE	
COc1ccc(CNC(=O)Nc2cccc3c2CCN(C)C3=O)c(O)c1	825308890	HNDXKKZOJJSJNW-UHFFFAOYSA-N	355.394	2.351	10	10	FECE	
CCOC(=O)c1c(CN2CCN(c3ccc(OC)cc3)CC2)n[nH]c1C	821385315	ANMRBUHNYFGBSN-UHFFFAOYSA-N	358.442	2.226	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N(C1CC1)[C@H]1CCS(=O)(=O)C1	900564715	ANKOMLAMCAIIKA-NSHDSACASA-N	367.448	2.104	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN3CC(C(C)(C)C)C3)CC2)cc1	840765456	VSBXUGVVGBYDJZ-IBGZPJMESA-N	361.530	2.156	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCCCNCc1cccnc1	841936622	VPBXMTBKJCDQQG-UHFFFAOYSA-N	355.486	2.469	10	10	FECE	
O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@H]1C[C@@H]2COC[C@@H]2O1	926668727	KNWMFBMZTOVBJB-XWIASGKRSA-N	361.225	2.302	10	10	FECE	
O=C(Nc1cccc(N2CCCS2(=O)=O)c1)N1Cc2cccc(O)c2C1	929709873	HODLRUTYOGBLPV-UHFFFAOYSA-N	373.434	2.480	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cc(NC(C)=O)ccc3O)C2)cc1	855231502	AYUFWHYPJWBCAN-OAHLLOKOSA-N	369.421	2.368	10	10	FECE	
CCCN(CCC)c1ccc(CN2CCO[C@H](CNC(=O)NC)C2)cc1	862461368	OLNCJHAVKXYKIL-LJQANCHMSA-N	362.518	2.443	10	10	FECE	
O=C(NCc1cccc(Br)c1O)C1C[C@H]2COC[C@@H](C1)C2=O	765736468	MAUHHFOIVRZFPW-YOGCLGLASA-N	368.227	2.013	10	10	FECE	
CN1Cc2ccccc2[C@H]1CN1C(=O)CN(Cc2ccccc2O)C1=O	865331784	BQZFHEZEKYROPW-QGZVFWFLSA-N	351.406	2.343	10	10	FECE	
CC(=O)C(=O)COC(=O)C1(CNC(=O)OCc2ccccc2)CCCC1	860401759	SEWJPYLGECTAEM-UHFFFAOYSA-N	361.394	2.175	10	10	FECE	
CO[C@@H](CS(=O)(=O)NCc1ccc(O)cc1O)c1ccc(F)cc1	867417432	VGPCZLYYTNHZSA-INIZCTEOSA-N	355.387	2.044	10	10	FECE	
CC(C)OC[C@@H](O)CNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	872199727	ASXKTVUXDGXBGZ-INMHGKMJSA-N	354.466	2.315	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc2nccn2c1	774101194	FTTWEEKHIFHWEZ-UHFFFAOYSA-N	363.421	2.189	10	10	FECE	
Cc1cc(C(=O)COC(=O)CC(N)=O)c(C)n1-c1ccc(F)c(Cl)c1	787945930	ZJEDHOCNVRJUCS-UHFFFAOYSA-N	366.776	2.488	10	10	FECE	
CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(N=NC(N)=O)cc1	1136004940	BEOPMHMVDFVXGX-ZDUSSCGKSA-N	363.443	2.231	10	10	FECE	
COC[C@@]1(C(=O)OC(C)(C)C)CN(Cc2cc(F)cc(F)c2O)CCO1	895443142	BMRSLUSTIWYTDM-GOSISDBHSA-N	373.396	2.230	10	10	FECE	
O=C(C1CC1)[C@@H]1CN(Cc2cc(Br)cc(F)c2O)CCO1	894682951	HEPVOTUTXOHFBU-ZDUSSCGKSA-N	358.207	2.474	10	10	FECE	
Cn1c(S)nnc1CCCNC(=O)c1cc2cc(O)c(O)cc2s1	1141459675	SDJJMCXRSOBCCZ-UHFFFAOYSA-N	364.452	2.092	10	10	FECE	
O=C(CCc1ccccc1N1CCOCC1)NCc1cc(O)ccc1O	1153885013	JAZUNEDQTHUYPP-UHFFFAOYSA-N	356.422	2.183	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H]1[C@@H](O)c1ccccc1	1348672782	NWEROINWUDLPIA-MJGOQNOKSA-N	368.433	2.075	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2	2124505023	GPPKRMDBGOSODA-UHFFFAOYSA-N	363.422	2.406	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)N3CC[C@H]3[C@@H]3CCCOC3)cc2)CC1	1346122784	AOFNAOGIQUZIKI-QUCCMNQESA-N	372.513	2.149	10	10	FECE	
CCCCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCS(=O)(=O)C1	1442045693	ZAFOXSBTOSWVNV-AWEZNQCLSA-N	366.443	2.278	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)Nc2nc(N(C)C)n[nH]2)CCCC1	1457808003	AKWHLHHFFXWRRZ-UHFFFAOYSA-N	368.441	2.352	10	10	FECE	
CCN1CCN(c2nnc(-c3sccc3O)n2Cc2cc(C)on2)CC1	1521518361	JCWLNGWYOLEKNZ-UHFFFAOYSA-N	374.470	2.199	10	10	FECE	
COc1ccc(N2C[C@@H](C(=O)NCc3c(O)cccc3F)CC2=O)cc1	1471974993	NXOZIMMRBHMCDD-LBPRGKRZSA-N	358.369	2.209	10	10	FECE	
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)Cc3ccc(O)c(O)c3)C2)nc1	1625014962	UPYAUNMIPAGHGV-HNNXBMFYSA-N	369.421	2.221	10	10	FECE	
O=C(CCCCN1C(=O)c2ccccc2C1=O)NCc1c(O)cccc1O	1558535068	DLBSTNSIWPPWRY-UHFFFAOYSA-N	368.389	2.181	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1cc2nccc(C(F)(F)F)n2n1	1557085143	BZNRICAPLCMENM-UHFFFAOYSA-N	352.272	2.089	10	10	FECE	
CCc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1CCC(=O)NC	1727503429	FUDNOEPPEDHBOI-UHFFFAOYSA-N	370.501	2.213	10	10	FECE	
CC(C)C[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1	1720146577	VADWTWNUJGXLJI-UKRRQHHQSA-N	359.430	2.377	10	10	FECE	
CN1CC[C@](O)(CNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C1	1655351415	VKEYFBKZVKATEP-IBGZPJMESA-N	355.394	2.304	10	10	FECE	
NS(=O)(=O)c1ccc(C(=O)NCc2c(O)ccc3ccccc23)s1	1652705363	BSVMPOILAWUZPP-UHFFFAOYSA-N	362.432	2.184	10	10	FECE	
C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)NCCc1ccc(O)c(O)c1	1963688345	RQEHCIXDPFNTEP-BLLLJJGKSA-N	364.442	2.402	10	10	FECE	
COc1ccc(O)c(CNCC2(OC)CN(C(=O)OC(C)(C)C)C2)c1	2040146136	NQBJPHLBJWFXOR-UHFFFAOYSA-N	352.431	2.126	10	10	FECE	
COc1ccc(N2C[C@H](OC)C[C@H]2CNC(=O)OC(C)(C)C)c(N)c1	2044761666	BFJMDUURFUNZSZ-GXTWGEPZSA-N	351.447	2.396	10	10	FECE	
Nc1ccc(CC(=O)N2CC[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)cc1	2185512741	NMZTVVXLZHASPR-LEWJYISDSA-N	365.477	2.313	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@@]12CCOC[C@@H]1CN(C(=O)OC(C)(C)C)C2	2060616401	ACVVNKDGLMKCIO-BLLLJJGKSA-N	353.423	2.029	10	10	FECE	
C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)N(CCOc2ccc(N)cc2)C1	2106750218	ITNFHJUKJONAAW-GXTWGEPZSA-N	359.392	2.427	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(CCC(=O)Nc1ccc(N)cc1)C2	2288266284	BGCRIKBBUHQWCS-JLTOFOAXSA-N	374.485	2.444	10	10	FECE	
CN1C(=O)C(=Cc2c(N3CCCC3)nc3ccccn3c2=O)SC1=S	2296724100	NYFCYAGZHNIGOT-UHFFFAOYSA-N	372.475	2.126	10	10	FECE	
COc1cccc(/C=C(\C(=O)Nc2ccc(N)cc2)n2nnnc2C)c1	178352401	UWHPUBPOGXWXNS-GZTJUZNOSA-N	350.382	2.209	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1CCN(C(N)=O)CC1	52396845	MNJBLLXQRYJFFE-UHFFFAOYSA-N	358.486	2.426	10	10	FECE	
CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	188786303	ANMSZBWYSRVOIF-WOJBJXKFSA-N	373.497	2.053	10	10	FECE	
COc1ccc(N2CCN(CCn3cnc4ccsc4c3=O)CC2)cc1	72555455	QPHUNOZZVQZDTN-UHFFFAOYSA-N	370.478	2.289	10	10	FECE	
COc1ccc(N2CCN(S(=O)(=O)CCC(C)(C)OC)CC2)cc1F	195393960	FZCSKKSBBULLPW-UHFFFAOYSA-N	374.478	2.101	10	10	FECE	
COC(=O)Cn1ncc(N[C@H](C)c2ccc(N3CCOCC3)cc2)c1C	195150109	PVBZVXCPXNYNCD-CQSZACIVSA-N	358.442	2.374	10	10	FECE	
CN(C)c1ccc(CN2C[C@H]3CN(C(=O)c4cscn4)C[C@@H]3C2)cc1	96080974	FUEPBCXQIGVXAL-HOTGVXAUSA-N	356.495	2.413	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCN(C)C2)C1	443989959	NIFVCQSNRVBKHM-QGZVFWFLSA-N	368.525	2.476	10	10	FECE	
Cc1ccc(-n2[nH]nnc2=NCc2cc(Br)ccc2O)cc1	804827973	GHIGBSVXVFYHBC-UHFFFAOYSA-N	360.215	2.473	10	10	FECE	
O=C(NCC[C@H]1CCOC1)C(=O)N(Cc1ccco1)Cc1ccccc1O	807326853	OAZBLVMDSBYABE-HNNXBMFYSA-N	372.421	2.057	10	10	FECE	
CC(=O)NCCN(C)C(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	567945970	IXKXAALPCWKMFA-UHFFFAOYSA-N	370.497	2.002	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC(CN3CCOCC3)C2)cc1	816712620	HRIXWIPSIRVGDD-UHFFFAOYSA-N	353.466	2.498	10	10	FECE	
Cc1cc(C(=O)CN2CCO[C@H]([C@H](C)O)C2)c(C)n1-c1cccc(F)c1	839672605	SFQJJLSJPGBARV-YWZLYKJASA-N	360.429	2.498	10	10	FECE	
Cc1cc(O)nc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c1	837713314	DPLLXPFALRHDMK-UHFFFAOYSA-N	363.364	2.140	10	10	FECE	
N[C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2ccc(N3CCOCC3)cc2)C1	844912401	UDVVRZMSNCQHTD-HLAWJBBLSA-N	359.514	2.384	10	10	FECE	
CC[C@](C)(CO)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	847360615	CXARRXJODHOTOC-CKFHNAJUSA-N	352.450	2.464	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCC(N3CCCS3(=O)=O)CC2)cc1	840955765	YZNDDBCXFMDTGT-HWKANZROSA-N	363.527	2.266	10	10	FECE	
O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCCN2CCSC[C@H]12	925167334	PPAWBXOXVATQRR-ZIAGYGMSSA-N	355.891	2.425	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN4CCC[C@H]4C3)C2)cc1	852451713	BEBZFIIQSQDEJI-RYRKJORJSA-N	358.486	2.200	10	10	FECE	
CN1CC[C@@H](NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1(C)C	858104346	HIDQSLVMHPRYJZ-QZTJIDSGSA-N	358.530	2.351	10	10	FECE	
Cc1ccc(C(=O)NC[C@H]2COCCN2C)cc1-n1c(C)cc(C=O)c1C	862967975	CLMQUPPLNQFPLC-IBGZPJMESA-N	369.465	2.275	10	10	FECE	
C[C@@H]1O[C@H](C)C[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	868117031	OTWLPDHLLJXFNT-WWGRRREGSA-N	351.422	2.027	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)CCC(=O)Nc2nnc(C3CC3)o2)c1	761971669	ANNUAAVBMDCAHT-SNVBAGLBSA-N	374.397	2.257	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ncccc3NC(C)=O)C2)cc1	869230166	FZEHYWYUGRJKNH-CQSZACIVSA-N	354.410	2.057	10	10	FECE	
Cc1cc(Br)c(O)c(CNCC2(N3CCOCC3)CC2)c1	766224196	MJPCYQOSAYDGOO-UHFFFAOYSA-N	355.276	2.418	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CSCN1C(=O)OCC	935943692	DDSUDIFVERLSBH-NSHDSACASA-N	359.444	2.026	10	10	FECE	
Cc1cc(F)ccc1CN(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1	785442409	KICRVEDRJBSMKB-UHFFFAOYSA-N	357.429	2.475	10	10	FECE	
CNC(=O)CC(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)CCC3)c1C	789097410	MAEQGHKRMYEWCR-UHFFFAOYSA-N	368.433	2.445	10	10	FECE	
CN(Cc1cccs1)c1ccc(CN2CC(O)(c3ncnn3C)C2)cc1	895618792	MWUNJQIHJFMOLQ-UHFFFAOYSA-N	369.494	2.216	10	10	FECE	
C[C@@H](OCc1ccccc1)[C@H](NC(=O)CCc1ccc(N)cc1)C(=O)O	705988202	JUDJFJNBBUHJTL-KUHUBIRLSA-N	356.422	2.376	10	10	FECE	
C[C@@H]1C[C@H](NC[C@@H]2CCCCN2S(C)(=O)=O)c2c(O)ccc(F)c21	797095686	FMHDUNUZQQKKQY-DYEKYZERSA-N	356.463	2.483	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)NCCc1ccc(O)c(O)c1	1622753322	QTFGDPNCOZLAGF-CQSZACIVSA-N	364.442	2.450	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)NCC[C@@H]1CC1(F)F	1329541025	SROFNHPPTASGHJ-DZGCQCFKSA-N	367.440	2.270	10	10	FECE	
Nc1ccc(O)c(CN2C[C@H](CNC(=O)C(F)(F)F)C3(CCC3)C2)c1	2117412306	CPDSLCOGSXMCAP-LBPRGKRZSA-N	357.376	2.255	10	10	FECE	
CCOc1ccc(N2CCN(S(=O)(=O)[C@@H]3COC(C)(C)C3)CC2)cc1	1331339914	MPJPPBUNPSKEOH-KRWDZBQOSA-N	368.499	2.105	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3n[nH]cc3Br)C2)cc1	1348802911	APGLKMYNVUMGQI-SNVBAGLBSA-N	365.231	2.190	10	10	FECE	
CC[C@@H]1C[C@H]1C(=O)NC[C@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1	1509103546	OLFIINJWJJTUCT-YWPYICTPSA-N	359.430	2.472	10	10	FECE	
[N-]=[N+]=NC[C@@H]1CCCN([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2O)C1	1912177114	GYJZWBXIZMXXKK-GVDBMIGSSA-N	359.430	2.391	10	10	FECE	
O=C(CNC(=O)Cc1cccc2ccccc12)NCc1ccc(O)cc1O	1626838367	ZBOBLVLAZPFYAH-UHFFFAOYSA-N	364.401	2.226	10	10	FECE	
CS(=O)(=O)Cc1nc(C(=O)NCc2c(O)ccc3ccccc23)co1	1652708928	PZXWXHBQRGTCOR-UHFFFAOYSA-N	360.391	2.008	10	10	FECE	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OC)c3)C2=O)cc1	5198043	ANSYEORLDWLYJU-WJDWOHSUSA-N	352.346	2.370	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H]1CC(=O)N(CC2CC2)C1	1683426669	ZOKYDBARCIHZSE-CRAIPNDOSA-N	372.513	2.302	10	10	FECE	
COc1cc(/C=C2\C(=O)NC(=O)N(C)C2=O)ccc1OCc1ccccc1	5718585	GBWROZQRGFPMDS-XNTDXEJSSA-N	366.373	2.366	10	10	FECE	
N[C@@H](c1ccccc1O)[C@@H](O)c1ncc(I)s1	1943691219	QKBQHPBPWGTZIH-VHSXEESVSA-N	362.192	2.187	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4CC[C@@]4(N)C3)ccc(N)c2C1	1876189794	WHJMKBGRLXFALL-RNODOKPDSA-N	358.486	2.490	10	10	FECE	
CC(C)(C)OC(=O)NC1CC2(C1)[C@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)C2(F)F	2142143723	MVWCRFPRQRJXNF-FVKXUKEISA-N	372.412	2.191	10	10	FECE	
C[C@H](O)c1ccc(N(C)C[C@H]2CCS(=O)(=O)C2)c(Br)c1	2148779858	ACCXTOHBBMVDSI-WDEREUQCSA-N	362.289	2.373	10	10	FECE	
CN(C)c1ccc(CNC(=O)N[C@H](COCc2ccccc2)C(=O)O)cc1	2160469936	MOEDRTQKDWXGIG-GOSISDBHSA-N	371.437	2.222	10	10	FECE	
C[C@@H](N)c1ccc(N(CCS(C)(=O)=O)C2CC2)cc1Br	2170161058	HEGLCQRUQMDWCK-SNVBAGLBSA-N	361.305	2.482	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@]1(C)C(=O)NCc1ccccc1O	1183636196	VHNWYBCGHUUXMM-SFHVURJKSA-N	350.415	2.034	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)Cc2ccc(N)cc2)[C@H](F)C1	2044211597	GASBSOXFEANTPJ-CABCVRRESA-N	351.422	2.275	10	10	FECE	
CN(Cc1ccccc1O)C(=O)CC[C@@H](O)CNC(=O)OC(C)(C)C	2060454204	DNMZVCFCAFGJNS-CQSZACIVSA-N	352.431	2.016	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])CO1	2060608750	LNHVCUFTXFKUPU-RWMBFGLXSA-N	353.423	2.312	10	10	FECE	
C[C@H]1CN(CC(=O)N(C)c2ccc(N)cc2)C[C@@H]1NC(=O)OC(C)(C)C	2106661473	DKRYKJRKGMRAOA-BBRMVZONSA-N	362.474	2.077	10	10	FECE	
CN(C)C(=O)CN(Cc1ccccc1)c1cc2c(cc1N)NC(=O)CC2	2095920429	DBAQZSAPRUKCKC-UHFFFAOYSA-N	352.438	2.248	10	10	FECE	
CCOc1cccc(CN[C@@H]2COC[C@H]2CNC(=O)OC(C)(C)C)c1O	2097862468	XCUPYCHIVRKDGB-HUUCEWRRSA-N	366.458	2.420	10	10	FECE	
NC(=O)C1(NCc2cc(F)ccc2O)CCN(Cc2ccccc2)CC1	2098247569	GFBDUDSBINVZFC-UHFFFAOYSA-N	357.429	2.141	10	10	FECE	
COc1ccc(N2C[C@@H]3CCO[C@@]3(CNC(=O)OC(C)(C)C)C2)c(N)c1	2118555421	KMYLUYKIRUGOMX-DJJJIMSYSA-N	363.458	2.397	10	10	FECE	
COc1ccc(N2CCC[C@](O)(CN(C)C(=O)OC(C)(C)C)C2)c(N)c1	2270833677	ZQTJWDXAHCTHKN-IBGZPJMESA-N	365.474	2.476	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2264503727	IYDUASQGADOEML-MCIONIFRSA-N	367.450	2.296	10	10	FECE	
COC[C@@]1(C(=O)N2CCC(N=[N+]=[N-])CC2)C=CCN1C(=O)OC(C)(C)C	2336338521	PDBJPFAWEBXLQU-QGZVFWFLSA-N	365.434	2.480	10	10	FECE	
COc1ccc(OC[C@H](O)CN2CCOc3cc(N(C)C)ccc32)cc1	175024528	PJLSXWBRBAFFEE-MRXNPFEDSA-N	358.438	2.400	10	10	FECE	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCCN(c3ncccn3)C2)cc1	43862425	HZVDUCZNLWBDJN-MRXNPFEDSA-N	354.458	2.011	10	10	FECE	
Cc1ccn(C)c(=O)c1NC(=O)/C=C\c1ccc(N2CCOCC2)cc1	255335314	OZDMDFQGCMPBKI-YVMONPNESA-N	353.422	2.182	10	10	FECE	
COC(=O)/C=C\c1ccc(N(CCO)Cc2cccnc2)c([N+](=O)[O-])c1	254917033	MQZKWVUJQPQZNA-ALCCZGGFSA-N	357.366	2.175	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCCOCC3)cc2F)CC1	365495459	ZKDPIZJIXQBGDW-QGZVFWFLSA-N	363.477	2.401	10	10	FECE	
C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1CCC(=O)Nc1ccc(N)cc1	2162954459	YQNNYAGWDQTEHL-FZMZJTMJSA-N	372.391	2.129	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@H](CCF)C2)cc1F	827575557	QNGTUVAAJVQXNS-CYBMUJFWSA-N	353.413	2.106	10	10	FECE	
CCOC(=O)[C@H]1Cc2cccc(F)c2N(C(=O)/C=C/c2cnccn2)C1	844640796	GUJPTGSPTGPANZ-UZYOAWRESA-N	355.369	2.398	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H](CO)c1cncn1C	912612950	UVJHYMBQDQHHRT-KRWDZBQOSA-N	366.421	2.104	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3ccc(C)cc3)C2)cc1	849224745	JZNIRNFQEOPXNP-MRXNPFEDSA-N	353.422	2.337	10	10	FECE	
CC(C)=CC[C@H]1NC(=O)N(Cc2ccc(N3CCC(O)CC3)cc2)C1=O	925005175	ZCMTZODRMHANKT-GOSISDBHSA-N	357.454	2.424	10	10	FECE	
C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H](CC(F)(F)F)O1	852741781	KBGJLXFDKINTHO-CZUORRHYSA-N	373.419	2.411	10	10	FECE	
C[C@H]1C[C@@H]1c1noc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)n1	865909576	VPJYXEWHQIAFAL-FZMZJTMJSA-N	374.416	2.223	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H]2CSC[C@H]2C1	867423593	JHVZKGRQOMNSAR-HZPDHXFCSA-N	362.495	2.342	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCn3c(O)nnc3C2)c1	763215909	GCVCWPSYLBBYBE-UHFFFAOYSA-N	351.410	2.356	10	10	FECE	
COc1cccc(N2C[C@H](NC(=O)/C=C\c3ccc(O)c(O)c3)CC2=O)c1	779510191	JAANZONRSDVAKH-IQCBXXCUSA-N	368.389	2.041	10	10	FECE	
Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773087755	KHICXQKTTCKAPE-JTQLQIEISA-N	356.879	2.487	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)Cc1cnc(N(C)C)nc1	780833744	QEIOESQEBBGTIV-UHFFFAOYSA-N	356.474	2.259	10	10	FECE	
COc1cc(NS(=O)(=O)c2cc(C(=O)O)cc(F)c2F)ccc1O	797820346	SMPARJCMIGXTGV-UHFFFAOYSA-N	359.306	2.178	10	10	FECE	
O=S1(=O)[C@H]2CC[C@H]1CC(NCc1ccc(Br)cc1O)C2	724321229	YPUMKJBFYGYGLI-STQMWFEESA-N	360.273	2.353	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1ccc(C(=O)NC2CCOCC2)cc1	1150239035	ARRGFFKTBQVYGX-UHFFFAOYSA-N	370.405	2.188	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2124509478	NPABPXSFJUNTHW-MCIONIFRSA-N	367.450	2.296	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](C(=O)N1CC[C@H](CN=[N+]=[N-])C1)[C@@H]1CCOC1	2124506660	ZRPCCQFNRGRQOM-MCIONIFRSA-N	367.450	2.323	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](CNC(=O)c2ccc(O)c(O)c2)C1	2118164510	QVSJSOFRACPHAX-CKSWESSHSA-N	368.405	2.471	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC[C@@H](O)CC3CCCC3)cc2)CC1	1336820033	RAEFJLQUMNEWRC-NRFANRHFSA-N	359.514	2.386	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(O)c(O)c(O)c2)[C@@H]2CC[C@@H]21	2132418287	IVHLGZRGGPVJGB-NEPJUHHUSA-N	364.398	2.027	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)Cc3ccccc3)CC2)c(OC)c1	1460649950	IFNZYAKOVQSTRL-GOSISDBHSA-N	356.466	2.429	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2cc(Br)cn3ncnc23)cc1	1463722755	HBPCPZVJWWMQBO-UHFFFAOYSA-N	374.242	2.488	10	10	FECE	
Cc1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(N2CCOCC2)cc1	1707856544	ZQEATDPXIMSIGH-OAHLLOKOSA-N	354.458	2.210	10	10	FECE	
COc1cc(N2CCN(C[C@@H]3CCCC[C@@H]3O)CC2)cc(OC)c1OC	1617064035	PCINNUXUKGXATO-RDJZCZTQSA-N	364.486	2.386	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C	1615273480	NBCOGGYTIZJURI-BEFAXECRSA-N	370.453	2.379	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CN(C(=O)c1ccc(O)c(O)c1)C2	2136547775	BOWIQDUPINENHG-DJJJIMSYSA-N	362.426	2.475	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(CC2CC2)n1CC1([S@](C)=O)CC1	1554175637	QNVIOSNEIKZVDZ-SANMLTNESA-N	374.510	2.484	10	10	FECE	
COC(=O)c1ccc2nc(CNC(=O)/C=C\c3ccc(O)c(O)c3)[nH]c2c1	1569973161	HGKNHLBXABRKKQ-CLTKARDFSA-N	367.361	2.090	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3cnc4c[nH]nc4c3)C2)cc1	1643347406	YXLITHLMNHTQOP-CYBMUJFWSA-N	351.410	2.223	10	10	FECE	
COC(=O)c1cc(OCC(=O)NC(=O)Nc2ccccc2)ccc1N(C)C	1656826297	VSHKBQNLBHNUBW-UHFFFAOYSA-N	371.393	2.266	10	10	FECE	
CN(C)c1ccc(N2CCC(NC(=O)Cc3ccc(O)c(O)c3)CC2)cc1	1586864412	GTGVNWHZJFTPBR-UHFFFAOYSA-N	369.465	2.492	10	10	FECE	
Cc1cc(=O)n(C)cc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	162255777	FTRPAHYUBRXGQH-HNNXBMFYSA-N	370.453	2.413	10	10	FECE	
COC(=O)CCN(C(=O)/C=C/c1cnc(N(C)C)nc1)c1ccccc1	1866371514	JMLJJIWJIBSHAN-MDZDMXLPSA-N	354.410	2.152	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@H]4CNC[C@@H]4C3)ccc(N)c2C1	1876305104	XEQAQRAUFSKMIX-ZIAGYGMSSA-N	358.486	2.218	10	10	FECE	
C[C@H](N)c1ccc(N(C)C[C@H]2CCS(=O)(=O)C2)c(Br)c1	2148776488	IQRFUNDEWFHZNW-WDEREUQCSA-N	361.305	2.340	10	10	FECE	
COc1ccccc1C=C1SC(=S)N(CCN2CCOCC2)C1=O	2040495949	MBODXSFFYWYAES-UHFFFAOYSA-N	364.492	2.229	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C(NCc3ccc(N4CCOCC4)cc3)[C@@H]2C1	312203133	FGTIIDBSQFDETN-QZTJIDSGSA-N	373.497	2.478	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N2CCC(N=[N+]=[N-])CC2)C1	2060610678	KNARSHLESQAWCC-MRXNPFEDSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1[C@@H](O)[C@@H](N)c1ccccc1O	2076979362	XHEQFUMSDOUKRF-KWCYVHTRSA-N	358.385	2.398	10	10	FECE	
CCN(CC(=O)N(C)c1ccc(N)cc1)C[C@H](C)NC(=O)OC(C)(C)C	2106766318	PHKCSRGJDCQXBS-AWEZNQCLSA-N	364.490	2.467	10	10	FECE	
CN(C)CCN(CCNC(=O)OC(C)(C)C)CCOc1ccc(N)cc1	2265820288	ANZFVJUZALJNOC-UHFFFAOYSA-N	366.506	2.036	10	10	FECE	
CCC[C@]1(C)C(=O)NCCN1C(=O)C=Cc1ccc(N2CCOCC2)cc1	2310806717	GDAAOXXLMSUSDE-OAQYLSRUSA-N	371.481	2.054	10	10	FECE	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCCC1)c2NCCO	4193989	ZJNDIPJUWKKQHF-UHFFFAOYSA-N	364.401	2.102	10	10	FECE	
O=C(NCCCSc1nccs1)NCCNC(=O)c1ccccc1	177747677	ZAYDNIBBIAWRNE-UHFFFAOYSA-N	364.496	2.355	10	10	FECE	
CC[C@H]1CN(Cc2cccc(Br)c2O)CCN1C[C@H](C)O	245757048	OWWTYNKFRNWNQG-JSGCOSHPSA-N	357.292	2.432	10	10	FECE	
O=C1C[C@@H](c2cccc(NS(=O)(=O)c3cccc4nsnc34)c2)CN1	532932841	QFBNGVOGUYOGLP-LLVKDONJSA-N	374.447	2.096	10	10	FECE	
Cc1cc(Cl)cc(CN2CCC(C(=O)N3CCN(C)CC3)CC2)c1O	289877297	RTQYCVKRLALCST-UHFFFAOYSA-N	365.905	2.340	10	10	FECE	
COc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2OC)c(O)c1	386162638	FVAIBUFEKSJNAA-ZBFHGGJFSA-N	352.431	2.125	10	10	FECE	
Cc1ccc(CN(C)C(=O)c2nnsc2N)c(O)c1Br	2380759355	NIOMJURPBSCFEX-UHFFFAOYSA-N	357.233	2.169	10	10	FECE	
C[C@@H](CCNC(=O)c1ccn(-c2ccc(N)cc2)n1)NC(=O)OC(C)(C)C	2162521214	KNJZFQKIWKPQGF-ZDUSSCGKSA-N	373.457	2.488	10	10	FECE	
CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NCc1cc(Cl)c(F)cc1O)C2	294826976	YDQBMMPJMFIOQV-KBPBESRZSA-N	369.868	2.358	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)NCc3ncccc3O)C2)cc1	823733223	LKSBBPKIWAONJX-AWEZNQCLSA-N	356.426	2.122	10	10	FECE	
CCc1ccncc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	845807163	NZCWSUWXTGYKHW-UHFFFAOYSA-N	352.438	2.499	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N[C@@H](C)c3nnc(O)n3C)cc2)CC1	917523086	MQQUFOKUKPGPLB-AWEZNQCLSA-N	372.473	2.317	10	10	FECE	
CN(C)c1ccc(CNC(=O)COc2cnn(C)c2C(F)(F)F)cc1	849905224	RJPMLCXGNONJHE-UHFFFAOYSA-N	356.348	2.200	10	10	FECE	
COC(=O)/C(C)=C/CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	925034389	BTHKIUWAWHIKEH-IDJPSDCMSA-N	362.426	2.202	10	10	FECE	
O=C(NC1CC1)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2O)cc1	753018557	OBMKDIUSUFZCMR-UHFFFAOYSA-N	368.361	2.363	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)COc3cccc(C=O)c3)C2)cc1	855230654	GXBFSXOHIWAOMH-MRXNPFEDSA-N	354.406	2.282	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc(CNC(C)=O)s3)C2)cc1	855228484	BBDZJHZBHJTYMK-CQSZACIVSA-N	373.478	2.402	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N[C@H]3C[C@@H](O)C34CCC4)CC2)cc1	853644027	ZWXXRQWNXKPSMW-ZWKOTPCHSA-N	359.470	2.267	10	10	FECE	
COC(=O)c1cc(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cn1C	854298933	KKTYXYJYFVITEP-ZDUSSCGKSA-N	372.425	2.221	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)cc1	863357102	VOJPHZQKNTXAAW-UWUNEBHHSA-N	367.449	2.171	10	10	FECE	
CCCOc1ccnc(CC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)n1	1146952020	XECDQPZEJRLEJZ-HNNXBMFYSA-N	370.453	2.212	10	10	FECE	
CC(=O)Nc1cnccc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	1142503706	BCXLPAHRMZKHLH-AWEZNQCLSA-N	368.437	2.368	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2124502560	ADCIEUDLKFNQSU-CXAGYDPISA-N	367.450	2.297	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCO[C@@H](c3ccnn3C)C2)c1	1312705453	KRCFYCYOPNNVGY-VEVIJQCQSA-N	374.441	2.415	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCS[C@@H](C(F)(F)F)C2)cc1	1176175098	JYRMZPOKOIAYBP-CQSZACIVSA-N	361.433	2.349	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(O)c(O)c2)CC(F)(F)C1	2118181220	NIEJJHVMLMVLDV-UHFFFAOYSA-N	372.368	2.426	10	10	FECE	
Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)Cc1ccc(N2CCCC2)cc1	1353912346	XVVVOLAGMHUEOU-UHFFFAOYSA-N	357.414	2.359	10	10	FECE	
COCCN1[C@@H](C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1C	1452262432	XKEHDAKSPHZLQS-TXEJJXNPSA-N	364.467	2.494	10	10	FECE	
C[C@@H]1[C@@H](C(=O)NCc2cccc(O)c2O)CCN1C(=O)OC(C)(C)C	1520509789	WCDNWUPDARKJDS-YPMHNXCESA-N	350.415	2.360	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@H](O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)ccc21	2136030648	UUANINMSQMWEPT-KBAYOESNSA-N	361.486	2.297	10	10	FECE	
NC(=O)COc1cccc(C(=O)NCc2c(O)ccc3ccccc23)c1	1472086380	WXWKCDSOPJHMJX-UHFFFAOYSA-N	350.374	2.340	10	10	FECE	
C[C@@H]1CCN(C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1	2136254619	YVDOSKXJFGJUIF-OCCSQVGLSA-N	364.442	2.402	10	10	FECE	
COc1ccc(CN[C@@H]2CC[C@H](CNC(=O)Cc3ncc[nH]3)C2)cc1C	1488959117	MZLSWDCURCVDPM-DLBZAZTESA-N	356.470	2.344	10	10	FECE	
C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)Cc1ccc(O)c(O)c1	1625866809	OUHZYQWHOIBFNK-AWEZNQCLSA-N	356.422	2.318	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N=c3ccn(C)c(O)n3)c2C)cc1	1628176440	CMGOKVIEZQPEPM-UHFFFAOYSA-N	352.394	2.283	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCOC[C@H]1OC	1498676083	WWJBCYRARFHPEO-NVXWUHKLSA-N	360.458	2.234	10	10	FECE	
O=C(Cc1cnn(-c2ccccc2)n1)NCc1ccc2cccnc2c1O	1557120878	GCSZRMHGEGMLRA-UHFFFAOYSA-N	359.389	2.380	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CC[S@](=O)[C@H](C)[C@H]2C)c([N+](=O)[O-])c1	1773001525	ZTHWFEBPGAQJMJ-IKJTURQCSA-N	352.412	2.127	10	10	FECE	
CN(C)c1ccc(CNC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1	18214965	WSHJRWYMWQVFAO-LJQANCHMSA-N	365.477	2.460	10	10	FECE	
O=C(CCN1C(=O)CSC1=S)Nc1ccc([N+](=O)[O-])cc1Cl	1865768440	MJYDHGDIBXJPDH-UHFFFAOYSA-N	359.816	2.437	10	10	FECE	
CSCC[C@@H](N)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1865920880	XJDYSZAETQYVEH-CQSZACIVSA-N	354.431	2.481	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@]1(CNC(=O)OC(C)(C)C)CCCO1	1964874977	XWLMFSQMDKGTHH-IBGZPJMESA-N	364.442	2.425	10	10	FECE	
C[C@@H](O)c1ccc(N2C[C@@H]3[C@H](CCS3(=O)=O)C2)cc1Br	2145047618	GJQNPQORTDYJFF-GPCCPHFNSA-N	360.273	2.126	10	10	FECE	
C[C@@H](N)c1ccc(N2CCC[C@@H]2CS(C)(=O)=O)c(Br)c1	2151281849	QFIMGZQYOCITET-ZYHUDNBSSA-N	361.305	2.482	10	10	FECE	
Brc1nnc(COc2ccc(N3CCNCC3)cc2)s1	2162049669	QGVVMKHKVMYITN-UHFFFAOYSA-N	355.261	2.289	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H](CNCc2ccc(F)c(F)c2O)C1	703308444	PATFOKQKRWQUGG-LBPRGKRZSA-N	358.385	2.396	10	10	FECE	
O=C1CCC(=O)N1CCNCc1cc(Cl)cc(Br)c1O	708090075	NJCWIWRJIGZLLR-UHFFFAOYSA-N	361.623	2.047	10	10	FECE	
CN1CCc2cc(CNC[C@H]3CN(C(=O)OC(C)(C)C)CCN3C)ccc21	394442472	YPLVDWNWGQAJJM-SFHVURJKSA-N	374.529	2.320	10	10	FECE	
Oc1ccc(CCNC2[C@H]3COC[C@H]2CN(Cc2ccccc2)C3)cc1O	2167773389	TWUZRNBZEWLDOX-RTBURBONSA-N	368.477	2.377	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](OCCNCc2ccc(O)c(O)c2)C1	2046754216	LJQLZGFLEAXMNR-CQSZACIVSA-N	352.431	2.213	10	10	FECE	
C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1ccc(O)c(O)c1	2054414210	NXXTUYPQXQKBDT-AAEUAGOBSA-N	350.415	2.473	10	10	FECE	
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2060635650	NXGREMBONKJOPP-AVGNSLFASA-N	353.423	2.312	10	10	FECE	
C[C@H](NC(=O)[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O	2072479918	ONDOGZCGDHEMHD-YUTCNCBUSA-N	350.415	2.109	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)NCCCCN=[N+]=[N-])C[C@@H](O)C1(C)C	2073245161	FPKCSIJUYZEOQA-BZNIZROVSA-N	355.439	2.247	10	10	FECE	
CON(CCCNC(=O)CCOc1ccc(N)cc1)C(=O)OC(C)(C)C	2106237036	JQSIRIQHHQPLRH-UHFFFAOYSA-N	367.446	2.343	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(CC(=O)Nc2ccc(N)cc2)C1	2106750225	IUCBQUQNRUIDQD-ZIAGYGMSSA-N	362.474	2.442	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)CCOc2ccc(N)cc2)C1	2106779776	RHBDFEYGBVZDEX-CQSZACIVSA-N	363.458	2.411	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@@H]1C(F)F	2106732189	NKUVEXZLRMLQII-UONOGXRCSA-N	369.412	2.428	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cc2c(cc1N)OCC(=O)N2	2106715078	UTXXJGKJGCIMHD-LLVKDONJSA-N	362.430	2.045	10	10	FECE	
CSc1ncc(CNC(=O)C2(COCc3ccccc3)CNC2)s1	2248652203	NAJUUFXPERQZQO-UHFFFAOYSA-N	363.508	2.288	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)N1CCC[C@@H](N=[N+]=[N-])C1)[C@H]1CCOC1	2259903945	ZKLLCQXVIFGMAF-OLZOCXBDSA-N	353.423	2.314	10	10	FECE	
O=C(O)COc1ccc(Br)cc1C=C1SC(=S)NC1=O	2297617341	DLFDYILIIUKQQR-UHFFFAOYSA-N	374.237	2.401	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)C3[C@H]4CCCC[C@@H]34)cc2)CC1	188118037	TWCRJNBWURJGFP-YOFSQIOKSA-N	355.482	2.408	10	10	FECE	
COCCNc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(C)n1	243379425	MFVHZKJYRHDVDS-UHFFFAOYSA-N	357.458	2.179	10	10	FECE	
CCCCC(=O)NS(=O)(=O)c1ccc(N=NN2CCOCC2)cc1	254412478	WFHDRAUEQWFNNW-UHFFFAOYSA-N	354.432	2.013	10	10	FECE	
COc1ccc(O)c(CN[C@@H]2CCN(C(=O)COc3ccccc3)C2)c1	282927091	FPGOHXKLACRESW-MRXNPFEDSA-N	356.422	2.170	10	10	FECE	
COc1cccc(CNC(=O)CCc2nc3ccccc3oc2=O)c1O	729858704	BKKVOOUBPPCXSI-UHFFFAOYSA-N	354.362	2.151	10	10	FECE	
CC[C@@H](COCC1CC1)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	828497583	ZPFWWKHASULVED-SFHVURJKSA-N	371.481	2.000	10	10	FECE	
Cc1cc(CS(=O)(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)no1	735314363	NWKCRPHOOUXOKU-CQSZACIVSA-N	365.455	2.000	10	10	FECE	
Cc1cc(C(=O)CN2CCN3C[C@H](O)C[C@H]3C2)c(C)n1-c1ccc(F)cc1	847047271	YUXMCLUBRFIWPK-RBUKOAKNSA-N	371.456	2.167	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCOC[C@@H]1CC1CC1	914334726	CXTXLRABMFWUJB-IBGZPJMESA-N	359.470	2.234	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@@H]1CN(C2CC2)C(=O)O1	847386020	PNVUKMQSJSKIKR-KBXCAEBGSA-N	374.485	2.274	10	10	FECE	
C[C@H](NC[C@H](O)[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1Cl	858468008	BHUKFMPOLVUTAU-DOPJRALCSA-N	354.878	2.367	10	10	FECE	
COc1ccc(N2CC[C@H](N[C@@H]3CCCC[C@@H]3S(C)(=O)=O)C2)cc1	850489468	UTSGJDGFYISUQZ-QGTPRVQTSA-N	352.500	2.219	10	10	FECE	
COC(=O)c1ccnc(N2CCN(c3ccc(OC)cc3)CC2)c1[N+](=O)[O-]	856717475	HWBBPTFEFRROPO-UHFFFAOYSA-N	372.381	2.112	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@H](CO)c3ccsc3)C2)cc1	852451834	QAAPKDHZMHJZPM-RHSMWYFYSA-N	361.467	2.368	10	10	FECE	
COc1cc(Br)cc([C@H](C)NC[C@H]2COCCN2C)c1O	858522896	KYSUHZGLZGDLIR-JQWIXIFHSA-N	359.264	2.145	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN[C@H](C)c3ccns3)CC2)cc1	860051317	HKMXVRAIHGMLNS-CQSZACIVSA-N	360.483	2.151	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)NC[C@@H]3COCCN3C)c2C)cc1	862972496	DQXQIJHUFSMROJ-QGZVFWFLSA-N	357.454	2.163	10	10	FECE	
CCO[C@@H](C(=O)NCc1cccc(Br)c1O)[C@@H]1CCOC1	867831414	YJXRBXPJPVGWLH-BXUZGUMPSA-N	358.232	2.213	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)CN3CCO[C@H](CC(N)=O)C3)c2C)c1	860012185	GSVKSXROPPLGPH-GOSISDBHSA-N	369.465	2.161	10	10	FECE	
COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(C)c1	775289576	WUMWRSBMBGOCBR-UHFFFAOYSA-N	366.351	2.196	10	10	FECE	
COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1cc(Cl)cc(C)c1O	775739138	LUKDRWNCBJRVSK-KBXIAJHMSA-N	367.829	2.279	10	10	FECE	
COC(=O)c1c(CN2CCC[C@](CO)(OC)C2)c2cc(F)ccc2n1C	895251000	RJZVBWAXSUMZKO-IBGZPJMESA-N	364.417	2.077	10	10	FECE	
CNC(=O)C[C@@H](NC(=O)NCc1ccc(OC)cc1O)c1ccccc1	797547450	UBSUPZHWWCZEAG-MRXNPFEDSA-N	357.410	2.077	10	10	FECE	
O=C(NCCCSc1nccs1)NC1(CO)Cc2ccccc2C1	798110042	YWYVWNBPXWOWRV-UHFFFAOYSA-N	363.508	2.454	10	10	FECE	
CN1CCc2cc([C@@H](O)CNS(=O)(=O)/C=C\c3ccccc3)ccc21	1080793782	MSXWTAXAUKQDLA-XASXRRJKSA-N	358.463	2.303	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)c1nc(=N[C@H](C)c2c(O)cccc2O)[nH][nH]1	2130119561	SAKRHPRSRSIJRL-ZJUUUORDSA-N	363.418	2.397	10	10	FECE	
COC(=O)C1(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)CC(CO)C1	1348294805	IWJNBAFYEGJMQK-UHFFFAOYSA-N	356.422	2.138	10	10	FECE	
COc1cc(N2CCn3c(nnc3C(F)(F)F)C2)c([N+](=O)[O-])cc1OC	1458192868	DJLCQSFRBYCGIN-UHFFFAOYSA-N	373.291	2.243	10	10	FECE	
Cc1ccc(CN2CCO[C@H](CNC(=O)NCc3ccccc3O)C2)cc1	1471110883	QXQGGJNDMISSJP-LJQANCHMSA-N	369.465	2.401	10	10	FECE	
C[C@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1O	1648891722	FEIUFEOHJASSPS-JTQLQIEISA-N	364.379	2.195	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NCc1cc(O)ccc1O	1644754182	QQSDQVHIPVRXTO-AWEZNQCLSA-N	350.415	2.360	10	10	FECE	
COCCN(CCOC)c1nnc(C)n1Cc1ccc(N(C)C)cc1C	1769848768	LXGOTNXJGMILNS-UHFFFAOYSA-N	361.490	2.108	10	10	FECE	
NC(=O)CC1CC(NC(=O)N(Cc2ccco2)Cc2ccccc2O)C1	1685219496	WKKZWESUQBQQFO-UHFFFAOYSA-N	357.410	2.351	10	10	FECE	
CC(=O)NCCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])s2)SC1=S	1858594041	IPPJDPHWDGLWKE-JXMROGBWSA-N	371.465	2.384	10	10	FECE	
Cc1cccc(CNC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1O	2139741354	KQRLZANYCKYFOR-HNNXBMFYSA-N	364.442	2.343	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H]2CCCO2)c1O	2139762317	QNJUZTZUKYXLCH-GJZGRUSLSA-N	364.442	2.389	10	10	FECE	
Ic1cnn(CCNCc2ccc3c(c2)CCO3)c1	1963520216	JUBLDJIRGKWBSZ-UHFFFAOYSA-N	369.206	2.212	10	10	FECE	
C[C@H](O)c1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)c(Br)c1	2151274891	UZIVHEMSEDDNKV-PXWWUCIGSA-N	360.273	2.126	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](CNCc2ccc(O)cc2O)CO1	2041186285	BSJGDCXTIVASKW-WFASDCNBSA-N	352.431	2.117	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@]2(C(=O)C(=O)C[C@H]3C[C@H](N)C3)C[C@@H]2C1	2049784307	JOCDSOYHOMTQOB-FORMXFIPSA-N	350.459	2.289	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2060621770	RIDDPGJBMJUWMV-JHJVBQTASA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(CNCc3ccc(O)c(O)c3)(CO1)C2	2103306373	AAZZHQIANRQEIT-UHFFFAOYSA-N	364.442	2.261	10	10	FECE	
Nc1ccc(CN2CCO[C@@]3(CCCN(C(=O)C(F)(F)F)C3)C2)cc1	2106766403	PNHNZUIMMFJVSK-INIZCTEOSA-N	357.376	2.025	10	10	FECE	
Cc1cccc(CNC(=O)[C@H]2CC[C@@H](O)CN2C(=O)OC(C)(C)C)c1O	2264612672	RJKGKYGRYJMRNO-HUUCEWRRSA-N	364.442	2.077	10	10	FECE	
COC(=O)c1ccc(C=C2SC(=S)N([C@H](C)C(=O)OC)C2=O)cc1	2297465450	GYDLRHKPTZOFAR-SECBINFHSA-N	365.432	2.236	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)c1cn(CCNC(=O)OC(C)(C)C)cn1	2315987546	VOTQEDJGZNKGRS-UHFFFAOYSA-N	351.411	2.180	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1C(=O)N1CCc2cc(O)c(O)cc2C1	2341192943	WYAUTLDXVRWNHM-UONOGXRCSA-N	362.426	2.286	10	10	FECE	
COc1ccc(O)c(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1	114542853	AZTSMBWKOBUAAX-OAHLLOKOSA-N	354.406	2.379	10	10	FECE	
COc1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1[N+](=O)[O-]	40937830	JEQSIHGDNKANEM-XFFZJAGNSA-N	368.392	2.279	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@H]1C[C@H](O)CCO1	1951695853	OZGXAJSKCXMZLK-XJKCOSOUSA-N	353.415	2.074	10	10	FECE	
Cc1cc(Cl)cc(CN2CCC(N3CCS(=O)(=O)CC3)CC2)c1O	191940123	FLMIHMIGUMHBNO-UHFFFAOYSA-N	372.918	2.049	10	10	FECE	
Cc1cnccc1N1CCC(C(=O)NCCc2ccc(O)c(O)c2)CC1	362710852	LVNVYCDKPCEVHR-UHFFFAOYSA-N	355.438	2.377	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3Cc4cncn4C3)ccc21	623268786	WEBAXBCQGKQSDH-INIZCTEOSA-N	352.438	2.456	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1CN2CCCN1CC2	819688900	OZEUAEPIXIDGOA-MRXNPFEDSA-N	358.511	2.275	10	10	FECE	
COc1cc(Br)cc(CN(CCO)[C@@H]2CCO[C@@H]2C)c1O	825130488	YWBYGDXRJCEXIK-ZWNOBZJWSA-N	360.248	2.135	10	10	FECE	
Cc1ccc(CS(=O)(=O)NC[C@H](N)c2ccc(N(C)C)cc2)cc1C	842785001	JXHHMDMNQNLENF-IBGZPJMESA-N	361.511	2.489	10	10	FECE	
CCC[C@H](C)[C@H](CO)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	844898435	VPZTZXCGENNVNB-YOEHRIQHSA-N	367.465	2.259	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1cnccc1C	850626236	PEIQTBGGCSDIEZ-UHFFFAOYSA-N	355.438	2.193	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)NC(=O)c3cccs3)C2)cc1	855228634	FPNKHGCBXMJNJH-ZIAGYGMSSA-N	373.478	2.270	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3Cc4cccc(O)c4C3)C2)cc1	854020774	MVXNBMUHMKDARL-JKSUJKDBSA-N	367.449	2.446	10	10	FECE	
C[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1nccn1C	852689983	PHXOAFAUKOGXRK-HNNXBMFYSA-N	357.458	2.159	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC[C@@H]2COC(=O)O2)C1	769665977	YRHPFNFSTVRPOV-CQSZACIVSA-N	372.421	2.486	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc(C(F)(F)F)ncn3)CC2)cc1	864471119	XIUPLZZDJSZATE-UHFFFAOYSA-N	366.343	2.466	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@H]2CSC[C@H]2C1	868130663	QJOLBZMOWGAZEE-DLBZAZTESA-N	361.511	2.418	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CC12CC(OCC)C2	868966037	JAHAWVQSJZCNCS-NGEICVOHSA-N	361.438	2.489	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(S(C)(=O)=O)cs2)c1	767795296	NXQFJGYRMRSARA-VIFPVBQESA-N	355.437	2.357	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(N2CCOC2=O)CC1	898986058	DSAUPSOZMFVFHB-UHFFFAOYSA-N	362.407	2.369	10	10	FECE	
COc1c(O)nc(O)nc1C(=O)NCc1cc(C)n(-c2ccccc2)c1C	1302267391	LLEPNWKDWKVCDO-UHFFFAOYSA-N	368.393	2.234	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc4nonc4c3)CC2)c(OC)c1	1302000612	KXACHOJVHYOSIS-UHFFFAOYSA-N	368.393	2.202	10	10	FECE	
C[C@H](C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1)N1CC(NC(=O)OC(C)(C)C)C1	2131756718	KVMSWMJIEYPHCQ-OLZOCXBDSA-N	366.466	2.133	10	10	FECE	
COC(=O)c1c(NC(=O)NCc2ccc(N(C)C)cc2)nc2n1CCC2	1347815830	HFXDWJYGWRXNHV-UHFFFAOYSA-N	357.414	2.004	10	10	FECE	
Cc1cc(C(=O)Nn2cnnc2)c(C)n1-c1ccc(Br)cn1	1446848529	FDCQYFIUZASKGC-UHFFFAOYSA-N	361.203	2.227	10	10	FECE	
Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2C)c(O)c1O	1451377610	JFDRPDYCVMXFJT-UHFFFAOYSA-N	364.423	2.217	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)C(F)(F)n1cc(-c2ccccc2)nn1	1545669008	FZGYHGUATGFBQT-UHFFFAOYSA-N	374.347	2.265	10	10	FECE	
CS(=O)(=O)Nc1ccccc1C(=O)NCc1ccc2cccnc2c1O	1627069509	OYQCKZZZQWJLDK-UHFFFAOYSA-N	371.418	2.242	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@@H](NC(N)=O)c1ccccc1	1623574524	QCJKABSGPGLACM-CQSZACIVSA-N	362.426	2.294	10	10	FECE	
COC(=O)C[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(O)c(O)c1	1653315736	AHPGALHHQBHBMV-XAVKZTDYSA-N	355.390	2.402	10	10	FECE	
CS(=O)(=O)Nc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1Cl	1588300436	LMCOWPCGUYBBDY-UHFFFAOYSA-N	370.814	2.304	10	10	FECE	
Nc1nc(NCc2c(O)cccc2O)nc(C(F)(F)C(F)(F)F)n1	1655890023	NWCJLLJBTSKMDO-UHFFFAOYSA-N	351.235	2.131	10	10	FECE	
CCn1nc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccc1=O	1859616671	XGDMCKOAEZUGFL-UHFFFAOYSA-N	373.368	2.291	10	10	FECE	
CN(C)c1ccc([C@H](NC(=O)c2ccc(O)cn2)c2nccn2C)cc1	1865962564	ATXVRLJUFXMYKE-KRWDZBQOSA-N	351.410	2.106	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cccc(O)c2O)CC1(F)F	1965077174	XPEDTBUOUVBDEI-GFCCVEGCSA-N	372.368	2.472	10	10	FECE	
C[C@@H](NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cc(O)ccc1O	397399938	GXPQLBYRCUEIMD-OCCSQVGLSA-N	352.431	2.384	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)Oc2ccccc21	2168880167	MRVLEXQBJYPNKY-PBFPGSCMSA-N	374.437	2.455	10	10	FECE	
CN(C(=O)CN1C[C@H]2C[C@H]1CN(C(=O)OC(C)(C)C)C2)c1ccc(N)cc1	2187747058	DQTPRAITLMMMRV-PBHICJAKSA-N	374.485	2.173	10	10	FECE	
COc1ccc(N2CCC(CO)(NC(=O)OC(C)(C)C)CC2)c(N)c1	2044631082	ODNXZZGPIGHJJY-UHFFFAOYSA-N	351.447	2.133	10	10	FECE	
CN(CCCNC(=O)OC(C)(C)C)C(=O)CCOc1ccc(N)cc1	2044694612	WSDIAZPQEJDMSR-UHFFFAOYSA-N	351.447	2.411	10	10	FECE	
CO[C@@H](C(=O)N1CC[C@H](CN=[N+]=[N-])C1)C1CN(C(=O)OC(C)(C)C)C1	2060634449	ZSSKCFZKQYMGMD-DGCLKSJQSA-N	353.423	2.027	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1	270572426	ZPZNJVDKBPAWNE-UONOGXRCSA-N	364.442	2.450	10	10	FECE	
C[C@@H](NCC1(CO)CN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1O	2081949027	KRLDLBNOVKAYRN-GFCCVEGCSA-N	354.422	2.411	10	10	FECE	
COC(=O)CC[C@@H](O)CN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1	2106581750	NFUZLEBNABUECS-MRXNPFEDSA-N	366.458	2.462	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)[C@H](O)[C@@H]1CCN1C(=O)OC(C)(C)C	2106854117	YYXPJQZVAOVNNT-RCCFBDPRSA-N	361.486	2.310	10	10	FECE	
C[C@H](N)c1ccc(N2CC(S(=O)(=O)C(F)F)C2)c(Br)c1	2206709027	YIUFTMQYNAPRKU-ZETCQYMHSA-N	369.231	2.295	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Cc2ccc(N)cc2)C[C@@H](F)C1	2219125123	ODVFLNYWZHBOJK-HIFRSBDPSA-N	351.422	2.275	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)OC[C@@H]2C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-]	2225797079	CYPNQJJYNSGZPQ-ITGHMWBKSA-N	365.434	2.216	10	10	FECE	
Cn1nccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2225791314	CKZLBHSKDBGPBG-MDZLAQPJSA-N	363.422	2.334	10	10	FECE	
COc1cc(OC)cc(N2CC[C@@H](CNC(=O)Cc3ccc(N)cc3)C2)c1	178853783	ZNBRUFZRJQADII-INIZCTEOSA-N	369.465	2.471	10	10	FECE	
C[C@@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)N1CCOCC1	123302135	NNTDUCOCYRIAOG-JKSUJKDBSA-N	351.466	2.034	10	10	FECE	
Cc1cc(/C=C/C(=O)NCCNC(=O)N(C)C)c(C)n1-c1ccccc1	180650019	UTHYDVPBXIUBCG-ZHACJKMWSA-N	354.454	2.495	10	10	FECE	
CCOC(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(N2CCOCC2)cc1	255108688	OJKJQSCCNLGIQG-POGDKVGISA-N	372.465	2.481	10	10	FECE	
Cc1cc(C(=O)N2CC[C@@](O)(C(N)=O)C2)c(C)n1-c1cccc(C(C)C)c1	803164733	WAXYLFBDSATAPQ-NRFANRHFSA-N	369.465	2.280	10	10	FECE	
CC(=O)N1CCC[C@@H](C(=O)NCc2cc(Br)ccc2O)C1	804734148	XHWQVNMWAJFWQP-LLVKDONJSA-N	355.232	2.029	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1	808529255	BNYZLSOPWNEWID-OAHLLOKOSA-N	368.227	2.287	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CC[C@H]4C[C@@H]4C3)nc12	817202264	PTFKZCPIACZTCG-QJPTWQEYSA-N	359.382	2.091	10	10	FECE	
Cc1cc(CCNC(=O)NCCn2cncn2)c(C)n1-c1ccccc1	726703571	ZXUZSSYSENOECO-UHFFFAOYSA-N	352.442	2.228	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@](F)(CO)C2)C1	670166491	GGVBFOFSEYEHGZ-OAQYLSRUSA-N	373.472	2.341	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN[C@H](c2cnn(C)c2)C(C)(C)C)cc1	839542019	FXQHJPVPLCYSDZ-LJQANCHMSA-N	357.502	2.479	10	10	FECE	
C[C@H](NC(=O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F)c1ccccc1O	913763580	KPCOPSJLMSFRIF-XNJJOIOASA-N	369.339	2.380	10	10	FECE	
Cc1cc(C(=O)CN2CCN(C)CC2)c(C)n1-c1ccc2c(c1)OCO2	916640939	PKPFVWCYCYLPQI-UHFFFAOYSA-N	355.438	2.253	10	10	FECE	
COCCN(C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)[C@H]1CCOC1	840484818	PZCNHXRJAMVJKX-LPHOPBHVSA-N	363.502	2.439	10	10	FECE	
C[C@@H]1CN(c2ccccc2NC(=O)C(=O)Nc2ccc(N)cc2)C[C@@H](C)O1	841149260	FFKGQMQUCYNTJP-ZIAGYGMSSA-N	368.437	2.460	10	10	FECE	
COC(=O)c1cccc(NC(=O)C(=O)N(C)Cc2ccccc2O)c1C	918444247	NZYCHURPPBYHPW-UHFFFAOYSA-N	356.378	2.084	10	10	FECE	
COc1ccc(CNC(=O)CN2CC[C@H](c3ccccc3)NC2=O)c(O)c1	846951156	WAGGNWIEQHOKPB-QGZVFWFLSA-N	369.421	2.174	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N(C)Cc3nncn3C(C)C)C2)cc1	854297900	SVCBYVSFIFIOTM-OAHLLOKOSA-N	372.473	2.288	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)cc1	855234158	TZIBLZZEFQXEKK-CYBMUJFWSA-N	357.366	2.318	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCO[C@H](C4CCC4)C3)C2)cc1	852449452	TYBHNHXMZYYMOY-APWZRJJASA-N	359.470	2.484	10	10	FECE	
COc1ccc(O)c(CNC(=O)C(=O)Nc2cc(C)c(C)cc2OC)c1	850373288	HPLXUDKHIXHWEN-UHFFFAOYSA-N	358.394	2.281	10	10	FECE	
Nc1ccc(Cc2nc(C(=O)N3CC[C@@H](Cn4ccnn4)C3)cs2)cc1	852844176	RIRLRCHRAWYVQH-CQSZACIVSA-N	368.466	2.070	10	10	FECE	
CC1(C)OC(=O)c2ccccc2[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	866757126	KBTWWZVRZBQWKK-QGZVFWFLSA-N	355.390	2.489	10	10	FECE	
C[C@@]1(Br)C[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1	862225586	BOIXGALTHOKWDR-DOTOQJQBSA-N	367.287	2.437	10	10	FECE	
O=S(=O)(NCCCSc1nccs1)c1cnn(CC2CC2)c1	777946345	XARKOPNTGIWYNY-UHFFFAOYSA-N	358.514	2.210	10	10	FECE	
Cc1cn(C(C)(C)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cn1	895495709	WXOANKPOPVKAJL-UHFFFAOYSA-N	356.470	2.422	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCc1cccc(Cl)c1O	890763505	XFIKOLOMCUHPAC-OCCSQVGLSA-N	370.833	2.344	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](N)CN(C)Cc3ccccc3)CC2)cc1	702453173	USGSJCITGZVPNC-FQEVSTJZSA-N	368.525	2.277	10	10	FECE	
COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1	1157711182	AEJNRDBNARGZMM-CJNGLKHVSA-N	357.406	2.177	10	10	FECE	
CCN(CC)c1ccc(Cn2c(C)nnc2N2CCS(=O)CC2)cc1	1313673357	LXAGFXXHWHBVKH-UHFFFAOYSA-N	361.515	2.050	10	10	FECE	
CN(C)c1ccc(CNCc2cccc([C@]3(C)NC(=O)NC3=O)c2)cc1F	1318566436	NFRGQKAXGCOUDV-FQEVSTJZSA-N	370.428	2.236	10	10	FECE	
COc1cccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c1O	2116273348	IPLVHSAGZFYMJZ-HUUCEWRRSA-N	366.458	2.108	10	10	FECE	
CC[C@@H](CN(C)CC(=O)N(C)c1ccc(N)cc1)NC(=O)OC(C)(C)C	2116683418	CHMMUSVFHUBYJL-HNNXBMFYSA-N	364.490	2.467	10	10	FECE	
CCc1onc(C)c1CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	1334162752	UQCNMXHBBCCXAE-GFCCVEGCSA-N	358.442	2.105	10	10	FECE	
C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(O)c(O)c(O)c1	2132413813	QJLSZHFVUKDXFP-LLVKDONJSA-N	366.414	2.275	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@@H](C)c1cncs1	1351482223	LLVIFDAZLSLUPH-KBPBESRZSA-N	374.510	2.442	10	10	FECE	
Cc1c(F)ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1N	1471566231	YZGUUAUKHDMCSM-UHFFFAOYSA-N	356.445	2.398	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H](C(C)C)N1CCOCC1	1612538480	YTELGUCKGAVTPD-SFHVURJKSA-N	373.501	2.285	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1	1628950755	KHUNPXGVOVPUIP-MRXNPFEDSA-N	367.453	2.021	10	10	FECE	
COc1ccc(N(C)CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1	1559969357	AWIQIZCMPWTZLY-UHFFFAOYSA-N	363.364	2.165	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CC(O)(c3ccnn3C)C2)c1	1633018002	PJVIPWKNZMSKCO-UHFFFAOYSA-N	364.449	2.480	10	10	FECE	
COc1ccc(N2CCN(C(=O)CC(C)(C)COC(C)=O)CC2)cc1F	1566347131	ZSYUZYXAKCOZMB-UHFFFAOYSA-N	366.433	2.462	10	10	FECE	
CCCn1nccc1NC(=O)CN1CCN(c2ccc(OCC)cc2)CC1	1653840033	BGVXUMQYFUXSAX-UHFFFAOYSA-N	371.485	2.453	10	10	FECE	
C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)OC(C)(C)C	1586061666	TZWZQZLIJHKQQJ-RHSMWYFYSA-N	363.502	2.449	10	10	FECE	
COc1ccc(CNCCC2(O)CN(C(=O)OC(C)(C)C)C2)cc1C	2027275521	KJLZAMWHBLUQOC-UHFFFAOYSA-N	350.459	2.465	10	10	FECE	
CN[C@H]1C(=O)Nc2cc(N(CC(N)=O)Cc3ccccc3)c(Cl)cc21	2034756632	XLAZMPSFDKXTKU-QGZVFWFLSA-N	358.829	2.045	10	10	FECE	
O=C(O)C[C@H]1CN(Cc2cc(Cl)cc(Br)c2O)C[C@@H]1O	2174355761	QAJFMDPAWZVMBX-CPCISQLKSA-N	364.623	2.076	10	10	FECE	
O=[N+]([O-])c1cc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)ccc1CO	2188574596	BKMPBOCDSKALIH-UXHICEINSA-N	369.421	2.177	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NC(=O)c2ccc(O)c(O)c2)C1	2054416722	XNWGESDUPWOBHG-NDHGSNPTSA-N	370.427	2.003	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[C@@H](CN(Cc3ccc(N)cc3)C2)[C@@H]1CO	2230886558	POOXXKHTPNQUNF-UOVPBQLFSA-N	361.486	2.222	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)cn1	2225240369	MYYYYVFBZVWCMM-UHFFFAOYSA-N	363.422	2.447	10	10	FECE	
CN1C(=O)NC(=O)C(=Cc2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O	2313549504	XWPRVIGITYLNKE-UHFFFAOYSA-N	374.736	2.390	10	10	FECE	
CC[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCN1CC(F)F	301885249	LVLKSRJEWPDIGE-JTQLQIEISA-N	370.356	2.091	10	10	FECE	
CO[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1	187996179	CEEJKWSERYWCOP-IEBWSBKVSA-N	361.486	2.262	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)n1cc(I)cn1	79903033	LEEZJXAIPVEMLT-QMMMGPOBSA-N	356.167	2.270	10	10	FECE	
CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)c1cccc(O)c1O	193126945	VNPZEXZJVCVUCS-CQSZACIVSA-N	362.451	2.305	10	10	FECE	
CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1	193101741	RECFLOAVQCQCKM-NSHDSACASA-N	374.359	2.361	10	10	FECE	
Cc1ccc(NC[C@H](O)[C@H](O)[C@@H](O)CO)c(N=Nc2ccccc2)c1C	253960906	BVMBLTCSAVCYFW-LNLFQRSKSA-N	359.426	2.206	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCc3ccccc3C2)cc1	283904946	KYAXERDJLNDTIR-GOSISDBHSA-N	351.450	2.043	10	10	FECE	
Cc1[nH]nc(C(=O)NCc2cc(Br)ccc2O)c1[N+](=O)[O-]	804737501	JQILCEDXNJQGDU-UHFFFAOYSA-N	355.148	2.024	10	10	FECE	
CN(C)c1ccc(CN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)C2CC2)cc1	292888817	VOGVYXRPXYYZLO-INIZCTEOSA-N	364.511	2.459	10	10	FECE	
CC1(CCNC(=O)NCc2cc(Br)ccc2O)OCCO1	805282571	PZMHYNPYSISXGY-UHFFFAOYSA-N	359.220	2.107	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NCc1cc(F)cc(F)c1O	708518031	YNPJRASZXOTLRJ-KGLIPLIRSA-N	358.385	2.394	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CC[C@H]4C[C@@H]4C3)cc2)C1	817428407	KUPURWHWDHJLEL-BSDSXHPESA-N	355.482	2.441	10	10	FECE	
COc1ccc(N2CCN(Cc3cc(OC)c(OC)cc3O)CC2)nc1	825305592	OLSLKDIIIHCTPU-UHFFFAOYSA-N	359.426	2.135	10	10	FECE	
COc1ccc(O)c(CNC(=O)NCCCNC(=O)c2ccccc2)c1	734069637	SJXAOCUOJAOSGT-UHFFFAOYSA-N	357.410	2.020	10	10	FECE	
COc1cccc([C@H](NC(=O)NCc2ccc(N(C)C)cc2)C(=O)O)c1	908759075	XXCFGQCDKMOFBZ-KRWDZBQOSA-N	357.410	2.386	10	10	FECE	
CCC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	839918762	NKRSMASDMLLJKC-RHSMWYFYSA-N	363.527	2.420	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cn(C4CCC4)nn3)CC2)cc1F	843816664	ALTREARXWDSXGL-UHFFFAOYSA-N	359.405	2.113	10	10	FECE	
CCNCc1ccccc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	841013432	RRDFAMVCMUCRIO-UHFFFAOYSA-N	368.481	2.459	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)COCC(=O)OC(C)(C)C	843775802	HDVWHQSSQKIJQN-UHFFFAOYSA-N	350.459	2.459	10	10	FECE	
CC[C@H](NC[C@@]1(CO)COCC2(CCC2)N1C)c1ccc(F)cc1O	858466424	BCCYOMJVUBFKGR-QFBILLFUSA-N	352.450	2.188	10	10	FECE	
C[C@@H]1CCCN(S(=O)(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1	920865395	AGOPJQYIBINPKA-HZPDHXFCSA-N	367.515	2.151	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCc4ccnc(O)c4C3)C2)cc1	852451956	RNLHDBILSKAEDF-OAHLLOKOSA-N	368.437	2.142	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)COCc2ccc(OC)nc2)cc1	862130015	ZWTAXYIVUMUKIW-UHFFFAOYSA-N	373.453	2.210	10	10	FECE	
CC(C)OC[C@@H](O)COC(=O)c1csc(Cc2ccc(N)cc2)n1	762960783	RPUGVWOSODFZHD-CQSZACIVSA-N	350.440	2.259	10	10	FECE	
C[C@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)c1ccc(N(C)C)cc1	772995477	BRVOEZPMTBFLHA-INIZCTEOSA-N	367.497	2.390	10	10	FECE	
CCOc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1[N+](=O)[O-]	782480706	AUSOLHIYMXQGJH-UHFFFAOYSA-N	361.306	2.444	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H]1CNCc1ccc(F)c(F)c1O	700678540	UFFHURBVBPISIV-GFCCVEGCSA-N	358.385	2.396	10	10	FECE	
C[C@@H](NC(=O)C(=O)N1CC[C@@H](c2nccs2)C1)c1ccc(N(C)C)cc1	897866221	USANXHPCGJKRKC-UKRRQHHQSA-N	372.494	2.402	10	10	FECE	
Cc1ccncc1N1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1	798352065	KANNFRZYZFDHHM-UHFFFAOYSA-N	353.470	2.488	10	10	FECE	
Cc1cc(C(=O)NN2C(=O)[C@@H](C)N(C)C2=O)c(C)n1-c1ccc(F)cc1	1148178783	DDZZTMLGZUJHNX-GFCCVEGCSA-N	358.373	2.161	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cccc(O)c1O	1152402084	UICYHKZAOBRHQV-UHFFFAOYSA-N	365.769	2.272	10	10	FECE	
COc1ccc([C@H]2CCN(C(=O)C(=O)N3Cc4cccc(O)c4C3)C2)cc1	1329795893	DOYALMGEGHCQNK-HNNXBMFYSA-N	366.417	2.259	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)NC[C@]3(C)CC3(C)C)C2)cc1	1333881230	MQKMYCHZLXUUOA-VFNWGFHPSA-N	373.497	2.190	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCCC[C@@H](CN=[N+]=[N-])C2)C1	2126930299	FMYJBEDCBDSBDE-GUYCJALGSA-N	367.450	2.297	10	10	FECE	
C[C@H](NC(=O)C(=O)NCCc1ccc(N)cc1)c1ccc2c(c1)CCCO2	1330649358	SJVNNBJZPOIPQM-AWEZNQCLSA-N	367.449	2.130	10	10	FECE	
CC1(C)CC[C@H](CNC(=O)C(=O)NCCCSc2nccs2)OC1	1262123377	ICNILOLRNSDWMT-GFCCVEGCSA-N	371.528	2.063	10	10	FECE	
CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1cc(O)c(O)c(O)c1	2132401576	AGVQKBQOXZXXQT-UHFFFAOYSA-N	368.430	2.426	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2C[C@@H](C(N)=O)Cc3ccccc32)cc1	1292808310	IPSNWKQLYWKTNO-ZDUSSCGKSA-N	351.366	2.153	10	10	FECE	
Cn1cc(C(=O)C[C@H]2CCCN2C(=O)c2ccc(N=NC(N)=O)cc2)cn1	1631011855	WAPMUYMABCCFGU-OAHLLOKOSA-N	368.397	2.460	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)N[C@@H](CO)CC2CCC2)N(C)C)cc1	1565452480	DXYFXKZUAPCQAG-IEBWSBKVSA-N	362.518	2.206	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@H](c1ccccc1)N1CCCCC1=O	1651222115	ANLKADOOEASMPK-IBGZPJMESA-N	354.406	2.468	10	10	FECE	
C[C@@H](COCC1CC1)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1682488665	IOHYDLFEBQBWFE-KXBFYZLASA-N	362.518	2.470	10	10	FECE	
CCN(CC)c1ccc(Cn2c(C)nnc2N2CC[C@H](C(=O)OC)C2)cc1	1695616068	FFFLQRNGSOQKSX-KRWDZBQOSA-N	371.485	2.480	10	10	FECE	
COc1ccc(CNCCNS(=O)(=O)c2cc(C)sc2C)c(O)c1	158403216	BROZUSDWRFFQPU-UHFFFAOYSA-N	370.496	2.147	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ncoc3[C@H]3CCCO3)CC2)cc1	1319277195	FCHQTJFZBFWBAT-MRXNPFEDSA-N	357.410	2.497	10	10	FECE	
C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2O)[C@H](C(=O)O)CO1	1964731685	BHOTYZWJHVOYLF-HQJQHLMTSA-N	364.623	2.482	10	10	FECE	
C[C@H](c1cc(Br)ccc1O)N1C[C@@H]2CCS(=O)(=O)[C@H]2C1	2145072849	VASOITXIUCEOIR-BFVZDQMLSA-N	360.273	2.335	10	10	FECE	
COc1ccc(O)c([C@H](C)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1	866493593	WUGHDTMACRRESK-MJEQTWJJSA-N	366.458	2.422	10	10	FECE	
CCS(=O)(=O)C[C@@H](C)N(C)c1cc(Br)c(CN)cc1F	2170567204	OLXKDTODKWMQFL-SECBINFHSA-N	367.284	2.306	10	10	FECE	
CO[C@H]1C[C@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2060615460	OMEKQWSPDDPEBG-FRRDWIJNSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NCc2cc(F)cc(F)c2O)C1	2063344115	COLOHQWYZNETGY-KGLIPLIRSA-N	358.385	2.130	10	10	FECE	
C[C@H](NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)c1ccccc1O	2072479308	HPMUTZONCCFECK-KPZWWZAWSA-N	350.415	2.253	10	10	FECE	
C[C@H](c1ccccc1O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O	2081031267	QGJUJVMLFUOEBC-OCCSQVGLSA-N	350.415	2.459	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)CCO1	2106282211	IXRPSSNHCSRRJO-GJZGRUSLSA-N	364.446	2.463	10	10	FECE	
Nc1ccc(NC(=O)N2C[C@H]3CC[C@H]2[C@@H](NC(=O)C(F)(F)F)C3)cc1	2106698811	DJIKXIDXWOWGBM-XDTLVQLUSA-N	356.348	2.332	10	10	FECE	
CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)COc1ccc(N)cc1	2106725091	JGVZHTMLMLTDMP-AWEZNQCLSA-N	363.458	2.363	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](F)CN1CC(=O)Nc1ccc(N)cc1	2106751051	PCXBFZYXXASTQB-WFASDCNBSA-N	366.437	2.144	10	10	FECE	
C[C@@H](OC(C)(C)C)[C@@H](NC(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]1C[C@H](N)C1	2112571098	KRYBHWMGCWEBDH-RGCMKSIDSA-N	370.490	2.349	10	10	FECE	
CN1CCc2cc(CN=c3[nH]nc(CCNC(=O)OC(C)(C)C)o3)ccc21	2203637189	JZSNXGAUYJJCAS-UHFFFAOYSA-N	373.457	2.163	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2OCC[C@]2(C(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2278990552	WOKBJOBDXGUHSF-AHIWAGSCSA-N	365.434	2.314	10	10	FECE	
CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S	2296883492	WGXWDQBAQSRVGP-VIFPVBQESA-N	351.405	2.480	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3CCC[C@@H]3CN3CCOCC3)ccc21	174446698	FDCIJXVBQRPIKR-LJQANCHMSA-N	372.513	2.075	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O	182517836	HZRKMAWGXNSOIN-LBPRGKRZSA-N	362.332	2.045	10	10	FECE	
COCC[C@H](C)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	93789011	XMYBBCOXRMVHCM-KRWDZBQOSA-N	374.529	2.443	10	10	FECE	
CC(=O)N1CCC[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	98076533	LJVMVYHNXVDIEK-PMACEKPBSA-N	373.497	2.271	10	10	FECE	
Cc1nc([C@H]2CCCN2C(=O)C(=O)NCc2ccc(N(C)C)cc2)cs1	283294051	AMAINVJTDZWHNZ-QGZVFWFLSA-N	372.494	2.497	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H](CO)c1cccnc1	806432492	MXVLNCQKLZAEFP-SFHVURJKSA-N	354.454	2.257	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCCc1ncn(C)n1	826978883	BIWYDLYFAWGKDJ-HNNXBMFYSA-N	358.490	2.053	10	10	FECE	
Cc1[nH]nc(Cl)c1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	909855426	FFDIOFNPSJJJHC-UHFFFAOYSA-N	370.787	2.416	10	10	FECE	
O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CC(c2ccccn2)=NO1	907061478	WLYMUCXUDCGBFP-IBGZPJMESA-N	351.406	2.475	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@H](O)C[C@H]1[C@H]1CCCOC1	838486583	PLOSMPQREHNVIX-SXLOBPIMSA-N	371.481	2.134	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)COc1ccc(O)cc1	733828108	LLAZLBBPMYOXGT-UHFFFAOYSA-N	372.421	2.039	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC([C@H]2COC(=O)N2)CC1	919082220	XRIPACBLLUHEQP-QGZVFWFLSA-N	360.458	2.091	10	10	FECE	
COC(=O)[C@H]1CSCCN(C(=O)NCc2ccc(N(C)C)cc2C)C1	840302698	SFSNODMPSZMAAD-OAHLLOKOSA-N	365.499	2.109	10	10	FECE	
C[C@@H](NC(=O)NCc1ccccc1O)c1cccc(NS(C)(=O)=O)c1	748459257	DZFFDPVMEHQHLC-GFCCVEGCSA-N	363.439	2.324	10	10	FECE	
O=C(NCc1cc(NC(=O)[C@@H]2CCC=CO2)ccc1O)[C@@H]1CCC=CO1	923121585	GRHAZMHFQRPBOM-IRXDYDNUSA-N	358.394	2.332	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)C3[C@H]4CCCC[C@H]34)nc12	750918432	ZJMQNWUSZDAUJX-RYUDHWBXSA-N	359.382	2.091	10	10	FECE	
COc1ccc(O)c(CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)c1	850762273	WQQXJRCKRRHYMN-GOSISDBHSA-N	357.410	2.383	10	10	FECE	
CC(C)[C@H](N)CCNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	851690168	AGUPQXZATBPXSJ-LJQANCHMSA-N	374.529	2.125	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H](N)c3ccccc3OC)C2)cc1	851639987	OVHNCLZYWLJTCB-AUUYWEPGSA-N	355.438	2.099	10	10	FECE	
COc1cccc([C@H](C)NC[C@H]2CN(Cc3ccncc3)CCO2)c1O	858564861	WUBKMQLVPGFMOB-RDJZCZTQSA-N	357.454	2.347	10	10	FECE	
C[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccnn1C	869176615	JROGHISHOXFGOB-OAHLLOKOSA-N	371.485	2.189	10	10	FECE	
CC(C)(C)OC(=O)[C@H]1COCCN1Cc1ccc(N2CCOCC2)cc1	930895899	XFTNWZIZYKYQTC-GOSISDBHSA-N	362.470	2.066	10	10	FECE	
COc1ccc(N2CC[C@H](N3C(=O)N[C@H](C[C@H]4CCCOC4)C3=O)C2)cc1	863512904	SDCYLPRISMTQFP-UWWQBHOKSA-N	373.453	2.011	10	10	FECE	
Cn1ncc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1C1CC1	770714213	BPZHLYUHSWSRSI-UHFFFAOYSA-N	367.453	2.153	10	10	FECE	
O=C(CS(=O)(=O)CCCc1ccccc1)N1Cc2cccc(O)c2C1	871198980	QSGNIBCXDRKKPB-UHFFFAOYSA-N	359.447	2.282	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnc(O)c1Br	772541801	SQHULXFTCBZRRC-MRVPVSSYSA-N	367.199	2.322	10	10	FECE	
C[C@H](NCc1ccc(N2CCOCC2)cc1)[C@H](O)c1ccc2c(c1)OCO2	785581658	LVZIZQBJUACFPU-BTYIYWSLSA-N	370.449	2.464	10	10	FECE	
COc1cccc(CNC(=O)Nc2ccc3c(c2F)CCNC3=O)c1O	794375378	RXOFMYCKAYFNHS-UHFFFAOYSA-N	359.357	2.148	10	10	FECE	
CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NCc1c(O)cccc1F	1303879301	WXANJJJXRJLENV-CYBMUJFWSA-N	354.447	2.485	10	10	FECE	
Cn1nc(CNC(=O)OC(C)(C)C)cc1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2124504746	CHHGTLJAXPRPDJ-LBPRGKRZSA-N	363.422	2.360	10	10	FECE	
CC[C@@H](C)[C@H](OC)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1	1287485799	YOWGMFKJSRFINX-KDOFPFPSSA-N	350.459	2.414	10	10	FECE	
O=C(NCCOc1cccc(C(F)(F)F)n1)c1c(F)ccc(O)c1O	1457736176	OWBBLWKUCFBSGW-UHFFFAOYSA-N	360.263	2.460	10	10	FECE	
COCc1nnc(-c2cccc(C(=O)NCc3cc(O)ccc3O)c2)o1	1558175382	OQCUYZFMDHIOEO-UHFFFAOYSA-N	355.350	2.224	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@H]1CCCN(C(=O)c2ccccc2)C1	1558174186	GYJHRWAPDFOACG-HNNXBMFYSA-N	354.406	2.266	10	10	FECE	
CC[C@H]1SC(=S)N(CC(=O)Nc2ccc(C(=O)OC)cc2)C1=O	11635685	VPMAVMWYGMDWLZ-LLVKDONJSA-N	352.437	2.051	10	10	FECE	
CO[C@H]1C[C@H](C(=O)NCc2cccc(C)c2O)N(C(=O)OC(C)(C)C)C1	2139760089	ODOZYYBEGOBLSH-LSDHHAIUSA-N	364.442	2.341	10	10	FECE	
O=C(O)CCN(CCO)Cc1cc(Cl)cc(Br)c1O	1963598201	PCIZWOUEBPIPKP-UHFFFAOYSA-N	352.612	2.077	10	10	FECE	
C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1ccccc1O	1968793358	WIESFADWFPLITL-JMSVASOKSA-N	352.431	2.186	10	10	FECE	
CN[C@H](c1ccccc1O)[C@@]1(O)CC[C@@H]1NC(=O)OCc1ccccc1	1977188755	RENQKXKWLKVQIU-NLWGTHIKSA-N	356.422	2.473	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NCc1ccc(F)c(F)c1O	2031539568	MPZBDZWPHPVVBX-STQMWFEESA-N	358.385	2.442	10	10	FECE	
COCc1[nH]c(C2=S=Nc3ccccc32)nc(=O)c1Br	2159954806	SPUKOVAJZOJDQM-UHFFFAOYSA-N	352.213	2.159	10	10	FECE	
CC[C@H](NCCN(C)S(C)(=O)=O)c1cc(Br)ccc1O	692422705	KIQNNGVVLCDJMC-LBPRGKRZSA-N	365.293	2.087	10	10	FECE	
CCN(c1ccc([C@@H](C)N)cc1Br)[C@@H]1CCS(=O)(=O)C1	387327946	CPXCJWJAVRBQJA-ZYHUDNBSSA-N	361.305	2.482	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Cc2ccc(N)cc2)[C@@H](F)C1	2044211600	GASBSOXFEANTPJ-LSDHHAIUSA-N	351.422	2.275	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](C2CC2)[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1	2049782895	OHFKNPQANJMDII-ATVPRXPUSA-N	350.459	2.288	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)O1	2060633496	OKUILJNPXHNGOT-AGIUHOORSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@H]1CNCc1ccc(O)c(O)c1O	2078324190	OZVMHLCPTOPNRP-YNEHKIRRSA-N	350.415	2.148	10	10	FECE	
CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NCc1ccc(O)c(O)c1O	2084779334	MOZSBVFQDLZGJG-AAEUAGOBSA-N	370.471	2.244	10	10	FECE	
C[C@@H]1CN(CC(=O)Nc2ccc(N)cc2)CCN(C(=O)OC(C)(C)C)C1	2106687132	WPYRMQSYZCLBCG-CQSZACIVSA-N	362.474	2.396	10	10	FECE	
CC(C)(C)OC(=O)N1CC(N(CC(=O)Nc2ccc(N)cc2)C2CC2)C1	2106765787	KUGZTQNXBAUDLL-UHFFFAOYSA-N	360.458	2.291	10	10	FECE	
COCCOCCN(CC(=O)c1ccc(O)c(O)c1)Cc1ccccc1	2095950527	CQOFTSIHPMFXFY-UHFFFAOYSA-N	359.422	2.446	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](O)(CCNCc2c(O)cccc2F)C1	2208898151	AZMHTOUTARJIBW-SFHVURJKSA-N	354.422	2.383	10	10	FECE	
CCN1C(=O)C(=Cc2ccc(N(C)C)cc2)c2cc(S(N)(=O)=O)ccc21	2297560254	HGLQAPUBRTVHCN-UHFFFAOYSA-N	371.462	2.307	10	10	FECE	
CN1CCN(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)CC1	59397551	KXAVIQOVXPBMMW-RAXLEYEMSA-N	364.452	2.048	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@](O)(C(F)(F)F)C1	176103355	ZYGXGYXIWDCYQO-MRXNPFEDSA-N	355.360	2.272	10	10	FECE	
Nc1ncncc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	192358393	JABNSAXKZDNSDE-LLVKDONJSA-N	363.368	2.059	10	10	FECE	
COc1cc(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)ccc1F	190736355	XSUPNLDLICQUFN-UHFFFAOYSA-N	366.414	2.488	10	10	FECE	
Cc1ccc(-n2c(C)cc(/C=C\C(=O)N3CCOC[C@H]3C(N)=O)c2C)cc1	254982318	XMLPTPWAMDWNOJ-QBUQCISBSA-N	367.449	2.128	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc(O)c1[N+](=O)[O-]	280804398	PWQVKINWWBBHNT-UHFFFAOYSA-N	357.366	2.067	10	10	FECE	
C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)CCOc1ccc(N)cc1	2162981309	QUAFNRDAAREYJT-RISCZKNCSA-N	373.375	2.096	10	10	FECE	
CO[C@@H](C)[C@@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	290827118	BEYBRJSCLSHACV-OLZOCXBDSA-N	353.438	2.009	10	10	FECE	
Cc1sc(=O)n(CC(=O)NCc2cc(Br)ccc2O)c1C	804736450	SVGBFMCTTSJKFI-UHFFFAOYSA-N	371.256	2.311	10	10	FECE	
C[C@@H]1CN(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)C[C@@H](C)O1	805134466	AFARBGBEHADSAK-RKDXNWHRSA-N	369.270	2.143	10	10	FECE	
CC(=O)C(=O)COC(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1	815372533	PAAKZAQMEJELLS-UHFFFAOYSA-N	364.785	2.399	10	10	FECE	
CN(C)c1ccc(CNC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)cc1	726866084	LGMCTTHQMIMTCB-KRWDZBQOSA-N	361.511	2.461	10	10	FECE	
CC1(O)CC(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1	827096589	XTDNJHUMVWHOJX-DBQDNQAGSA-N	352.862	2.287	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)N[C@H](C)C3CCCC3)C2)cc1	824934785	HAMPAQHZOSFYIJ-CVEARBPZSA-N	373.497	2.333	10	10	FECE	
CC(C)[C@](C)(CO)NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	838740104	SENWFUKSCSDSBC-SFHVURJKSA-N	371.428	2.008	10	10	FECE	
C[C@@H]1O[C@H](C)[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@@H]1C	858854742	CSULZEMFMAUFIC-NXEZDXNNSA-N	361.486	2.259	10	10	FECE	
Cc1cn2c(n1)C[C@H](C(=O)N[C@H](C)c1ccc(N3CCOCC3)cc1)CC2	858786043	MJJBECGPTXGLJT-SJLPKXTDSA-N	368.481	2.468	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC=C[C@@H]2CO)C1	922277691	MOJIQOLWJMCWIH-MRXNPFEDSA-N	353.466	2.167	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H]3CC(C)(C)OC3=O)C2)cc1	854298240	YQHSSZRGXZGIRG-XJKSGUPXSA-N	361.442	2.009	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](N)c3ccccc3)C2)cc1	851665050	PBIRAPLTORRSDQ-VQIMIIECSA-N	354.454	2.273	10	10	FECE	
COc1ccc([C@@H]2[C@@H](C(=O)NCc3c(O)cccc3F)CC(=O)N2C)cc1	928705272	IQRBITUJETVAHU-IFXJQAMLSA-N	372.396	2.376	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc4c(c3)nc(O)n4C)C2)cc1	855228869	FNZUGRNWTFBFJF-AWEZNQCLSA-N	366.421	2.296	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)N3CC4CC3(C)C4)CC2)cc1	853542196	XMJYPARMZLHTTI-UHFFFAOYSA-N	358.486	2.011	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]3[C@H]3C[C@@H]34)cc2)C1	864954902	ZNYTWQPKUNQHLQ-FMPVVUMJSA-N	367.493	2.297	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)Cc3ccnn3C)cc2F)C[C@H](C)O1	766416053	MWRJYFPPIQQGMH-KBPBESRZSA-N	360.433	2.032	10	10	FECE	
C[C@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1cncnc1	773980474	VSUAEOSQRSYHDW-HNNXBMFYSA-N	354.454	2.105	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1O	879930849	IDSNKASTNCPLAP-YPMHNXCESA-N	357.859	2.115	10	10	FECE	
COC[C@](C)(NCC(=O)N(C)Cc1ccc(N(C)C)cc1)C(F)(F)F	782176006	MFLGXPAWTHTZCB-INIZCTEOSA-N	361.408	2.268	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](O)(CNCc2ccc3c(c2)CCCO3)C1	1663390893	PTYSBFPULWWYRF-HXUWFJFHSA-N	362.470	2.473	10	10	FECE	
Cc1cnn(-c2cc(C(=O)NCCc3ccc(O)c(O)c3)c(N)cc2F)c1	1445937976	LMFCKFCEUYVPKJ-UHFFFAOYSA-N	370.384	2.286	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCN(C(=O)OCc2ccccc2)CC1	1295282886	DHRYAWMXWLSECK-UHFFFAOYSA-N	370.405	2.121	10	10	FECE	
CCO[C@@H]1COCC[C@H]1CC(=O)N(C)CCN(C)c1ccc(OC)cc1	1527596001	QYDYYGMXBUMOKF-QFBILLFUSA-N	364.486	2.422	10	10	FECE	
COCCNCc1ccc(N(C)C[C@H](O)COCc2ccccc2)cc1	1916390854	WKRGGZUMLIFRKN-NRFANRHFSA-N	358.482	2.437	10	10	FECE	
O=CC1=S=C(c2ccc(C(=O)Nc3ccnn3[C@H]3CCOC3)cc2)C=C1	1472138914	VJXJZBJMLOJSRP-HNNXBMFYSA-N	367.430	2.292	10	10	FECE	
C[C@@H](NC(=O)c1c(I)cnn1C)c1ccccc1O	1557966695	NFKLQADMWYJVBY-MRVPVSSYSA-N	371.178	2.221	10	10	FECE	
CC(=O)N1CCN(/N=N/c2ccc(I)cc2)CC1	1860484686	YUXMWODFCBSVJB-CCEZHUSRSA-N	358.183	2.454	10	10	FECE	
CC(C)(C)OC(=O)NCC12COC(C(=O)N3CCC[C@H](N=[N+]=[N-])C3)(C1)C2	2142245216	AIMYCZFZYZZTFV-CDEQTRAXSA-N	365.434	2.362	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@](F)(CNCc2ccccc2O)C1	1876232023	FRNQBEHEWPCYDH-SFHVURJKSA-N	354.422	2.457	10	10	FECE	
C[C@@H]1N(C(=O)OC(C)(C)C)C[C@]1(O)[C@H](N)c1ccc2c(c1)CCCN2C	1887683378	INDAFYLTVFWDGY-WSXQUGQNSA-N	361.486	2.439	10	10	FECE	
COc1cccc(O)c1CNC[C@@H]1COCCN(C(=O)OC(C)(C)C)C1	1964582194	CBQBFEMAHDHGQK-AWEZNQCLSA-N	366.458	2.374	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(Cc2cc(F)ccc2O)C1	1972303413	OQPPQSNMOZVOBR-ZIAGYGMSSA-N	368.405	2.474	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C1(CNC(=O)OC(C)(C)C)CC(O)C1	1335263175	QWADVYOYLQFOSY-UHFFFAOYSA-N	364.442	2.016	10	10	FECE	
O=[N+]([O-])c1cc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)ccc1CO	2188574593	BKMPBOCDSKALIH-PMACEKPBSA-N	369.421	2.177	10	10	FECE	
CC[C@H](CN(C)S(=O)(=O)Cc1ccc(N)cc1)NC(=O)OC(C)(C)C	2053094860	BYERCHHSLNRWEK-OAHLLOKOSA-N	371.503	2.334	10	10	FECE	
CC(C)(C)OC(=O)NCC1(F)CC(NC(=O)c2ccc(O)c(O)c2)C1	2054399507	REVZVYBMWBJIHK-UHFFFAOYSA-N	354.378	2.223	10	10	FECE	
COc1cc(N)c(N2CC[C@@H](NC(=O)C(F)(F)F)C[C@@H]2C)cc1OC	2106880388	IWQYRAKSSGHDTE-VHSXEESVSA-N	361.364	2.322	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2218738480	PQYZCAAHIOQGKY-FDYHWXHSSA-N	353.423	2.358	10	10	FECE	
O=C(Nc1cc(F)ccc1I)c1cc(O)nc(O)c1	2271653627	OQQKCBCHWVEBIX-UHFFFAOYSA-N	374.109	2.489	10	10	FECE	
CCN1CCc2cc([C@@H](N)[C@@](O)(CF)CNC(=O)OC(C)(C)C)ccc21	2265165480	IWJIHPZSXYCMDS-VQIMIIECSA-N	367.465	2.294	10	10	FECE	
CN(c1cc2c(cc1N)OCCO2)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F	2343622997	XETCVDPTXYIVLK-RISCZKNCSA-N	367.421	2.434	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2cc(S(C)(=O)=O)cs2)cc1F	119740367	BEIQZEIIEDYCFL-UHFFFAOYSA-N	356.444	2.287	10	10	FECE	
Cc1cc(C(=O)CN2CCN3C(=O)NC[C@H]3C2)c(C)n1-c1ccc(F)cc1	175884136	GSYJJVGAGXGYCW-KRWDZBQOSA-N	370.428	2.125	10	10	FECE	
CCOC(=O)c1cc(F)cc(S(=O)(=O)NCCc2ccc(N)cc2)c1	193337974	WKYPCVFDSMLGGG-UHFFFAOYSA-N	366.414	2.106	10	10	FECE	
COc1ccc(N2CCN(C(=O)/C=C\c3ccc(C(N)=O)cc3)CC2)cc1	255415479	OXJCLIKHJIGRLZ-WCIBSUBMSA-N	365.433	2.156	10	10	FECE	
O=C(N[C@@H]1CCc2nc[nH]c2C1)N(Cc1ccccc1O)C[C@H]1CCCO1	367861142	YBIHYYIUFMWPTB-HZPDHXFCSA-N	370.453	2.363	10	10	FECE	
C[C@H](NC(=O)C(=O)NC1CC(N2CCCCC2)C1)c1ccc(N(C)C)cc1	807555100	TUNFQYQUFXPYFB-DMKPSLHHSA-N	372.513	2.063	10	10	FECE	
COc1ccc(O)c(CNC(=O)c2cccn(CC(F)(F)F)c2=O)c1	907060198	MFUYTEJQMTWKFC-UHFFFAOYSA-N	356.300	2.055	10	10	FECE	
C[C@@H](NC(=O)N(C1CC1)[C@@H]1CCNC1)c1ccc(N2CCOCC2)cc1	841742302	VUQAGJPXJKBBKM-DNVCBOLYSA-N	358.486	2.120	10	10	FECE	
CCN(CC)c1ccc(CNS(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)cc1	849370634	IWKVUMDQQQOREL-AEFFLSMTSA-N	370.515	2.004	10	10	FECE	
CCNCc1ccccc1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	841024648	LCVZNCSROIOHMN-UHFFFAOYSA-N	372.444	2.256	10	10	FECE	
COC(=O)CCCCNC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	753880300	WPBUWHHVDIJYNZ-UHFFFAOYSA-N	367.421	2.009	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H](Cn2ccnn2)C1	854176362	FRCCRUMFRZFCBZ-IRXDYDNUSA-N	370.501	2.315	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)C2)cc1	855233067	WHQGABUCLMWXNG-DLBZAZTESA-N	371.481	2.039	10	10	FECE	
COc1cc(Br)cc(CN[C@@H]2CCN(C3CCC3)C2=O)c1O	858343110	SSJURBXVZKSPCT-CYBMUJFWSA-N	369.259	2.406	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3c[nH]cc3-c3cnn(C)c3)C2)cc1	855227855	QJSWBUQENAPEGY-HNNXBMFYSA-N	365.437	2.433	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCCC[C@H]2CNC(C)=O)c([N+](=O)[O-])c1	858863968	RFCABFXTHCHOEG-HEWZJLJBSA-N	361.398	2.276	10	10	FECE	
CCN(CC)c1ccc(CN2CCC[C@@H](CS(N)(=O)=O)C2)cc1F	769384813	PGFMCJQLUAGTRT-OAHLLOKOSA-N	357.495	2.172	10	10	FECE	
Cc1cnn(CC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)c1	768913513	KRJXSEIIKBQGMX-UHFFFAOYSA-N	367.497	2.040	10	10	FECE	
Cc1sc(=O)n(CCC(=O)NCc2ccc3cccnc3c2O)c1C	862028419	YZRHOEGKPSXKBS-UHFFFAOYSA-N	357.435	2.487	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCN3C(=O)OCC[C@H]3C2)cc1	763476111	BRJMRIBOEGHFLR-KRWDZBQOSA-N	360.458	2.269	10	10	FECE	
O=C(COC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(O)c(O)c1	783861865	NRTVPZSXSXUTOA-ZIAGYGMSSA-N	370.357	2.399	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H](CO)C3)cc1	898150290	SQMHTCXLBLEBQF-LVFSCSRESA-N	361.486	2.180	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccnc(OC)c1	1137816884	UNYCPJCCNWYTTH-UHFFFAOYSA-N	364.785	2.265	10	10	FECE	
COC(=O)[C@H](CS(=O)(=O)Nc1ccc(O)c(OC)c1)c1ccccc1	795363235	VUSNDPKHKLGTIW-CQSZACIVSA-N	365.407	2.099	10	10	FECE	
Nc1ccc(CC(=O)N2CC[C@]3(CN(Cc4ccccc4)CCO3)C2)cc1	717633737	ULPOXOHEDHIHED-QFIPXVFZSA-N	365.477	2.315	10	10	FECE	
C[C@@H](NC(=O)c1ccc(N2NC(=O)CCC2=O)cc1)c1ccccc1O	1302530626	UAXNOSBXMPZHDW-GFCCVEGCSA-N	353.378	2.041	10	10	FECE	
C[C@@H]1CN(c2ccnc(C(=O)NCc3c(O)cccc3O)c2)C[C@@H](C)O1	1304053895	VIOUISPNLVQRKU-CHWSQXEVSA-N	357.410	2.036	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H]1C(F)F	2118175236	FEMOYFYIMZWZSY-WDEREUQCSA-N	372.368	2.328	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2124539710	YMJGTWVJILXSKY-MGPQQGTHSA-N	367.450	2.465	10	10	FECE	
CN1CCN(c2ccc(CN3CC[C@@H](C(F)(F)F)[C@H](N)C3)cc2F)CC1	1334054070	DJVNATHMWPXVNI-GDBMZVCRSA-N	374.426	2.289	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CC1(F)F	2136241014	TYDUMZVPSVTIOO-GWCFXTLKSA-N	372.368	2.057	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(Cl)nc1N	1627013350	ACIQPWXZKWJBRF-UHFFFAOYSA-N	363.801	2.228	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@@H](O)c1cccc(Br)c1	1558175383	OQWBKHSVOILDFA-AWEZNQCLSA-N	352.184	2.210	10	10	FECE	
C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)NCc1ccccc1	1626737322	PPNMLYHKWAYNJB-LBPRGKRZSA-N	353.382	2.284	10	10	FECE	
Cc1ccc(-c2nnc(S)n2CC(=O)NCc2cccc(O)c2O)cc1	1637034514	JMPADSVEMRABBO-UHFFFAOYSA-N	370.434	2.270	10	10	FECE	
O=C(NCc1ccc(O)cc1O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1	1639441036	HBNTZUZCVVLVHQ-INIZCTEOSA-N	366.417	2.256	10	10	FECE	
Cc1ccc(O)c(CNC(=O)[C@@]2(O)CCCN(Cc3ccccc3)C2)c1	1584983939	VPUPLJYUNUPDLN-OAQYLSRUSA-N	354.450	2.344	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1	1860309571	GLEXCGSPQQQSDB-CYBMUJFWSA-N	374.824	2.463	10	10	FECE	
Cc1cc(/N=N/c2ccccc2)c(NC[C@@H](O)[C@@H](O)[C@@H](O)CO)cc1C	13118292	NARUXRZZSJCXFJ-RGFDYMEPSA-N	359.426	2.206	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC[C@H]2CN=[N+]=[N-])C[C@H](O)C1(C)C	1879106969	NBYWCUCMPWOETP-PRXAMGSTSA-N	367.450	2.342	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1	2049781059	PWRWYNHSWAOREU-IJLUTSLNSA-N	360.401	2.144	10	10	FECE	
C[C@@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	2060487337	HNUATTOERRBPFI-ZMZPIMSZSA-N	350.415	2.060	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(C(=O)NCCCN=[N+]=[N-])(CCO1)C2	2060637983	QPNJZKZUQGOUIY-UHFFFAOYSA-N	353.423	2.267	10	10	FECE	
C[C@H](NCc1cc(Br)cc(F)c1O)c1nnc(CO)s1	2192611708	RMTPQGDDHUMFKT-LURJTMIESA-N	362.224	2.488	10	10	FECE	
C[C@@H](NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)c1ccccc1O	2192617837	NOURVIVQRFITJC-IUODEOHRSA-N	374.441	2.429	10	10	FECE	
C[C@@H](NC[C@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(O)cc1O	2330273746	DFWZAHXGBQRYOM-GADXADSLSA-N	366.458	2.413	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2CNCc1cc2c(cc1O)OCO2	2333090921	ITQITXIZOFSCAI-MJBXVCDLSA-N	362.426	2.466	10	10	FECE	
NC(=O)c1cccc(OC(=O)/C=C/c2ccc(N3CCOCC3)cc2)c1	108691986	SBBYOXDKWSOPEO-RMKNXTFCSA-N	352.390	2.241	10	10	FECE	
Cc1cc(C)n([C@H](C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)n1	80864559	KFMICABBGSKKDF-OAHLLOKOSA-N	374.460	2.478	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N1CC[C@H](N2CCCC2)C1	254981012	ILTWSWXWRUWDGB-VORVDVFJSA-N	355.482	2.233	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@@H]3C[C@H]4OCCC[C@@H]34)CC2)cc1	251773185	KZPUSKMNWMYFNW-IPMKNSEASA-N	359.470	2.484	10	10	FECE	
COc1ccc(N2CCC(N[C@@H](CO)C[C@@H](O)C(C)(C)C)CC2)cc1	375267163	OTAXGMBFQOHAMQ-VQIMIIECSA-N	350.503	2.412	10	10	FECE	
COC(=O)c1cnc(SCC(=O)N2CCO[C@@H]3CCCC[C@H]32)s1	295303217	MNGIJBDIVWPUTF-GHMZBOCLSA-N	356.469	2.192	10	10	FECE	
CCN(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCOC1	813042336	JBSLQSPVOFGEGG-HNNXBMFYSA-N	365.449	2.107	10	10	FECE	
CC[S@](=O)CCNC(=O)NCc1ccc(N2CCC(C)CC2)cc1	735098950	CFOYBZSUOZBANL-DEOSSOPVSA-N	351.516	2.491	10	10	FECE	
O=C1CCN1c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1	685002638	ZNTKIOMPOFDUBT-UHFFFAOYSA-N	360.420	2.229	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCc1cc(C(N)=O)co1	840350624	HYLYYNGGNACRQQ-ZDUSSCGKSA-N	358.442	2.183	10	10	FECE	
COC1(C[C@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCC1	759997823	DABSKACEUDONMN-INIZCTEOSA-N	366.527	2.359	10	10	FECE	
COc1cccc(CNS(=O)(=O)C[C@H](OC)c2ccc(F)cc2)c1O	859006221	JVHZCWAYPHBGSX-INIZCTEOSA-N	369.414	2.347	10	10	FECE	
CCON(CC)C(=O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	858218981	BLOGSJOFSFSHAI-UHFFFAOYSA-N	364.446	2.475	10	10	FECE	
CC(C)(C)OCC(=O)NC(C)(C)C(=O)NCc1ccc2cccnc2c1O	862024793	GXDZNLKURSQLSF-UHFFFAOYSA-N	373.453	2.267	10	10	FECE	
CCc1cccnc1C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	766555293	HVPLTCLPZHKDBP-UHFFFAOYSA-N	368.481	2.205	10	10	FECE	
Cc1cc(CC(=O)NCCc2nc(=O)o[nH]2)c(C)n1-c1ccc(Cl)cc1	790080517	ZNHIZWRUHSRERR-UHFFFAOYSA-N	374.828	2.325	10	10	FECE	
Cc1cn2nc(C(=O)NCc3cc(Cl)cc(Cl)c3O)cc2c(=O)[nH]1	1141738151	XSBBWPMPUPDIEN-UHFFFAOYSA-N	367.192	2.273	10	10	FECE	
CNS(=O)(=O)c1ccc(C)c(C(=O)NCc2cc(Cl)ccc2O)c1	1146231720	HOAHZLLUZNEHHX-UHFFFAOYSA-N	368.842	2.192	10	10	FECE	
CCOc1ccc(N2CCN(c3nccn(C(F)F)c3=O)CC2)cc1	1323617104	CTWVHOWEGCDFEM-UHFFFAOYSA-N	350.369	2.364	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2COC[C@]2(C(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2124539867	ABOUVMKCAWVSBI-GDZNZVCISA-N	365.434	2.171	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H](C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)C1	2124511902	ILZRWFQUBFOGJP-KBPBESRZSA-N	367.450	2.419	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@H]2CN1CC(=O)Nc1ccc(N)cc1	1905377659	NZOYRKHOCHBIDA-VBNZEHGJSA-N	360.458	2.052	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@@H]2CCOC2)n1CCN1CCCC1	1517146875	HLJZNZMRZWSGBK-QGZVFWFLSA-N	371.485	2.220	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)CN1CCCC2(CC2)S1(=O)=O	1528023141	HLVKNKVQSWOHIN-UHFFFAOYSA-N	366.483	2.089	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)c1cc(=NCc2ccccc2)cc[nH]1	1465982242	YTPMXDIGBNJNRJ-UHFFFAOYSA-N	363.417	2.499	10	10	FECE	
COc1ccc(N2CCC(NC(=O)Cn3nnc4ccccc43)CC2)cc1	1627619270	NHXKBFRKWACGQP-UHFFFAOYSA-N	365.437	2.225	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(C(=O)N2CCCC2)n1	1638342710	QWKPFFGFIONBBR-CYBMUJFWSA-N	369.421	2.090	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1ccc(=O)n(-c2cccc(F)c2)c1	1645360973	RHJKIEDJQWFHFB-UHFFFAOYSA-N	354.337	2.318	10	10	FECE	
COCC1(Cn2c(C)nnc2N(C)Cc2ccccc2O)CCOCC1	1769324293	JFRASGPGHYSEIE-UHFFFAOYSA-N	360.458	2.372	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C)C(C)(C)CC3)C2)cc1	1687022450	BBEPLDMHCSQFHI-INIZCTEOSA-N	360.502	2.400	10	10	FECE	
Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1cc(S(N)(=O)=O)ccc1O	606488611	GCFVPDSCNABJRU-UHFFFAOYSA-N	373.394	2.242	10	10	FECE	
CO[C@H]1C[C@@H](C(=O)NCCCCN=[N+]=[N-])CN(C(=O)OC(C)(C)C)C1	1964945370	WQLPIUXRVLTBLF-OLZOCXBDSA-N	355.439	2.465	10	10	FECE	
C[C@@H](c1cc(Br)ccc1O)N(C)CCS(=O)(=O)N(C)C	2151046545	FZJKMTVAMIPNRT-JTQLQIEISA-N	365.293	2.039	10	10	FECE	
CN(Cc1ccns1)c1cc2c(cc1Br)[C@H](N)C(=O)N2	404483818	VBGRIKDXWLDIFJ-LBPRGKRZSA-N	353.245	2.494	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Nc1c(N)cccc1C(=O)O	2058685395	WGPPHJOILJQVOI-STQMWFEESA-N	351.403	2.013	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)N2CCC(N=[N+]=[N-])CC2)N(C(=O)OC(C)(C)C)C1	2060615314	NCQZXRIEEHTZPB-OLZOCXBDSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2060621773	RIDDPGJBMJUWMV-YNEHKIRRSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NCc2ccc(F)cc2O)C1	2084176497	QYLKVNFKFXQBRZ-DZGCQCFKSA-N	354.422	2.239	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](CNC(=O)Cc2ccc(N)cc2)COC1(C)C	2106263312	BAWDNQAQAOYZQQ-OAHLLOKOSA-N	363.458	2.300	10	10	FECE	
COc1cccc(CN[C@@H]2CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1O	2121675347	UXIUQHKBYXYYOM-FMKPAKJESA-N	364.442	2.125	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)OC(C)(C)C)CC2)c(N)c1	2226061414	FYCQXSWNUDSSJT-UHFFFAOYSA-N	364.490	2.314	10	10	FECE	
CN1CCc2cc(N3CC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)C3)ccc21	2226801289	BIHXCMNXXAWHJK-NVXWUHKLSA-N	361.486	2.391	10	10	FECE	
O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)C1=CNCc1ccc(F)cc1	2296208208	WACNMOQWOLGLMF-UHFFFAOYSA-N	371.343	2.217	10	10	FECE	
O=C(CCN1C(=O)C(=Cc2cccs2)SC1=S)N1CCOCC1	2296880194	VOCBVXQCVSRCKZ-UHFFFAOYSA-N	368.505	2.198	10	10	FECE	
Cc1ccc([C@@H](CNC(=O)C=Cc2ccc(O)c(O)c2)N2CCOCC2)o1	2307981922	DNSFRTMGJVXDTI-MRXNPFEDSA-N	372.421	2.202	10	10	FECE	
O=C1NCCN(c2ccc(OCc3ccccc3)cc2)[C@]12CCCNC2	2336053296	INIDOJXSTUVVCV-NRFANRHFSA-N	351.450	2.324	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H]3C[C@@H](C)N(C4CC4)C3)CC2)cc1	175559909	SVOUUMPFSRQJFV-CVEARBPZSA-N	358.486	2.152	10	10	FECE	
Nc1ccc(CCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1	179042052	VEDXMNHUKVFCNF-UHFFFAOYSA-N	351.366	2.335	10	10	FECE	
CCOC(=O)c1nn(C)cc1CN(Cc1ccccc1O)C[C@H]1CCCO1	186157979	GTRNJJHIJKFHMI-QGZVFWFLSA-N	373.453	2.484	10	10	FECE	
O=C(O)C[C@H](CNC(=O)OCc1ccccc1)c1cc(O)c(O)c(O)c1	1951420461	NGFQTJMQJVOXHI-CYBMUJFWSA-N	361.350	2.288	10	10	FECE	
Cc1ccc(N2C[C@H](C(=O)NCCc3ccc(O)c(O)c3)CC2=O)cc1	98074668	LGUGIHKPQTVQNW-OAHLLOKOSA-N	354.406	2.118	10	10	FECE	
CC(=O)N(C(=O)Nc1ncc(Br)cn1)c1ccc(N)cc1	244186756	VMIHCGRVXWRZMU-UHFFFAOYSA-N	350.176	2.406	10	10	FECE	
CC(C)N1C[C@@H](NC(=O)/C=C\c2ccc(N3CCOCC3)cc2)[C@H](C)C1	255525439	UNGYCYURNAFWAC-UPVPCIMBSA-N	357.498	2.381	10	10	FECE	
C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)/C=C\c1ccc(N2CCOCC2)cc1	255866806	PAIFARKDSXDWPD-ZODOCNFASA-N	357.498	2.335	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC[C@H]2c2nncn2C)c([N+](=O)[O-])c1	271117287	RDSOVUTZHNOIDY-QPBFKRLHSA-N	357.370	2.251	10	10	FECE	
Oc1c(Br)cccc1CN[C@@H]1CNCC2(CCOCC2)C1	903975232	ZNVYNUFDGLMQFL-ZDUSSCGKSA-N	355.276	2.403	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3CC(C)(C)O[C@@H]4COC[C@H]43)ccc21	844934269	NTQYXFVAHHIPKO-QZTJIDSGSA-N	359.470	2.157	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]([C@H](F)C(=O)NCc2ccc(O)cc2O)C1	910957259	QNQMGQZLFAGMIM-DOMZBBRYSA-N	368.405	2.309	10	10	FECE	
CN(C)c1ccc(CN(C(=O)NC2CCC(C(N)=O)CC2)C2CC2)cc1	747583910	PZAWYPJVZOJBBQ-UHFFFAOYSA-N	358.486	2.471	10	10	FECE	
C[C@H]1CN(Cc2cc(O)n3ncc(C(=O)O)c3n2)CCc2ccc(F)cc21	846290263	GZEMBQBGJFTQLV-NSHDSACASA-N	370.384	2.434	10	10	FECE	
C[C@@H](NCC(C)(C)CS(C)(=O)=O)c1ccc(N2CCOCC2)c(F)c1	926953210	JSUAKUGIBKRJKP-CQSZACIVSA-N	372.506	2.384	10	10	FECE	
C[C@H]1Oc2ccccc2N(CCC(=O)NCc2c(O)cccc2F)C1=O	928710246	RFHNPLQGGOQKKC-GFCCVEGCSA-N	358.369	2.352	10	10	FECE	
C[C@H](NC[C@]1(CO)COCCN1Cc1ccccc1)c1cc(F)ccc1O	850555171	MRPBKTJRRLRPIU-KKSFZXQISA-N	374.456	2.445	10	10	FECE	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	855225254	JGKCKAIJFYRMTM-ZQIUZPCESA-N	363.458	2.161	10	10	FECE	
COc1cncc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1C	869294960	GQEUFHPDMNJCJN-UHFFFAOYSA-N	355.438	2.290	10	10	FECE	
CCn1ncc(CNC(=O)Cn2c3c(c4cc(OC)ccc42)CCCC3)n1	862381003	QQRSDZAZVNBUGC-UHFFFAOYSA-N	367.453	2.457	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1[C@@H]2C[C@H]3[C@H](CO[C@H]31)C2	868116023	HLDHBBZFBSHMSO-WAARBJQMSA-N	373.522	2.462	10	10	FECE	
COC(=O)[C@@]12CCOC[C@@H]1CN(Cc1cc(F)c(N(C)C)cc1F)C2	862350894	ICLIKSRMOCPXGR-SCLBCKFNSA-N	354.397	2.042	10	10	FECE	
C[C@@H]1C(=O)N(Cc2ccc(N3CCN(CC4CC4)CC3)cc2)C(=O)N1C	761927095	DMNYXIONJHMCCM-OAHLLOKOSA-N	356.470	2.001	10	10	FECE	
Cn1cc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)nn1	783344090	BZJIKQORBRJKGE-UHFFFAOYSA-N	363.381	2.485	10	10	FECE	
COc1cccc(CNC(=O)c2cn(CCc3ccccc3)nn2)c1O	1137473196	BOJYHUFTOJXBNQ-UHFFFAOYSA-N	352.394	2.165	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](c2nccc(C(F)(F)F)n2)C1	1157594895	VFMSKYZUEVQHJO-NSHDSACASA-N	367.327	2.465	10	10	FECE	
COc1cccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c1O	2116273349	IPLVHSAGZFYMJZ-LSDHHAIUSA-N	366.458	2.108	10	10	FECE	
Nc1ccc(N2CCN(C(=O)NCCOCc3ccccc3)CC2)cc1	2116470986	UAPVATIFBNWNRF-UHFFFAOYSA-N	354.454	2.317	10	10	FECE	
C[C@@H](NC(=O)C(=O)NC[C@H]1C(C)(C)C1(F)F)c1ccc(N(C)C)cc1	1328980027	IASBKDKJCLFJQS-RISCZKNCSA-N	353.413	2.337	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H]4C[C@H]43)cc2)CC1	1332004826	OXTPCHOGVCHJMD-BHIYHBOVSA-N	355.482	2.441	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)c1cccn2ncc(Br)c12	1445901572	NDXWSAHMVCOLMX-UHFFFAOYSA-N	362.183	2.438	10	10	FECE	
COC(=O)C1(NCc2ccc(Cl)cc2O)CN(C(=O)OC(C)(C)C)C1	1913909480	USZUAGZEUSBNMF-UHFFFAOYSA-N	370.833	2.298	10	10	FECE	
Cc1nc(COc2ccc(C(=O)NCc3cc(O)ccc3O)cc2)no1	1455345019	FRFQORFSGBOHFM-UHFFFAOYSA-N	355.350	2.298	10	10	FECE	
CS(=O)(=O)c1ccnc(N(Cc2ccco2)Cc2ccccc2O)n1	1559152365	LOUSGIIHXBYVLX-UHFFFAOYSA-N	359.407	2.386	10	10	FECE	
COCCOCCOc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1	1648058259	ADHBZNPZLRZDPG-UHFFFAOYSA-N	361.394	2.321	10	10	FECE	
COC[C@H](C)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1O	1730456922	XGKMAPZQGMMGNH-ZBFHGGJFSA-N	360.458	2.407	10	10	FECE	
COc1cc(O)c(CN2CCN(C[C@@H]3CCCCN3C)CC2)cc1OC	160255037	MMXDPMAOSDAFGQ-KRWDZBQOSA-N	363.502	2.011	10	10	FECE	
CO[C@@]1(C(=O)NCc2cccc(C)c2O)CCN(C(=O)OC(C)(C)C)C1	2139757702	LALUPACKSWRNOQ-IBGZPJMESA-N	364.442	2.343	10	10	FECE	
CN1CCO[C@@H]2CN(Cc3cc(Cl)cc(Br)c3O)C[C@H]21	2154048397	GHXDUCGGCGFRFG-CHWSQXEVSA-N	361.667	2.323	10	10	FECE	
CC(C)(C)OC(=O)N1Cc2[nH]cnc2C[C@@H]1C(=O)NCc1ccccc1O	2180661174	DWPRLZSMWDUGNE-OAHLLOKOSA-N	372.425	2.094	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)CCCOC1	2060618218	WRBVYZRSEDVUAE-LRDDRELGSA-N	353.423	2.362	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1	2060638844	BHMQGEADJMXUHY-UHFFFAOYSA-N	355.439	2.297	10	10	FECE	
Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=NCc1cc(Cl)ccc1O	2063124778	MKPPXXUXVXEPRB-UHFFFAOYSA-N	367.837	2.233	10	10	FECE	
CN(C(=O)C1=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1cccc(F)c1	2080948228	SEIQBFZMWRSFMG-CABCVRRESA-N	350.390	2.373	10	10	FECE	
C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2218737876	LJSULGGJPISWFT-NDBYEHHHSA-N	353.423	2.358	10	10	FECE	
COCCNCc1cc(OC)ccc1N(CCC(N)=O)Cc1ccccc1	2235953740	FPOCYTYHLLQBJZ-UHFFFAOYSA-N	371.481	2.313	10	10	FECE	
O=c1c2c(ccn1Cc1sccc1I)CCNC2	2316763020	XMLLXJIUDZJBJY-UHFFFAOYSA-N	372.231	2.208	10	10	FECE	
COc1cccc(CNC(=O)CNC(=O)c2cc3c(s2)CCCC3)c1O	105650654	ROZZSCHDBGCDHT-UHFFFAOYSA-N	374.462	2.387	10	10	FECE	
C[C@H](N)c1ccc(N2CC[C@@H](N3CCOCC3)C2)c(Br)c1	109572586	GRXHXQMMIMLRSF-GXTWGEPZSA-N	354.292	2.380	10	10	FECE	
C[C@@H](NC[C@H]1COC2(CCOCC2)O1)c1ccc(N2CCOCC2)cc1	179975909	ACFDVLBOUFXPJK-APWZRJJASA-N	362.470	2.096	10	10	FECE	
O=C1C[C@H](c2ccccc2Cl)N=C(NC(=O)c2ccc3c(c2)OCO3)N1	20924937	JOICCPDKQIWMAC-CYBMUJFWSA-N	371.780	2.416	10	10	FECE	
C[C@H](Nc1cnn(CC(=O)NCCO)c1)c1ccc(N2CCCCC2)cc1	181770322	NECXRHDVHUDRTE-INIZCTEOSA-N	371.485	2.155	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)NC[C@H]1CCOC1	126145337	UHOCKYSWQAMSAL-LJQANCHMSA-N	372.513	2.054	10	10	FECE	
CS(=O)(=O)C[C@H](NCc1cc([N+](=O)[O-])ccc1O)c1ccccc1	121707893	CPMBKPGNACHRKB-HNNXBMFYSA-N	350.396	2.176	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(O)cc3C)cc2)CC1	190232108	PADVSCVSBSCQDJ-UHFFFAOYSA-N	367.449	2.299	10	10	FECE	
COC(=O)[C@]1(NC(=O)c2cc(C)n(-c3ccccn3)c2C)CCSC1	270604737	DIFQTJRKQRXWNI-SFHVURJKSA-N	359.451	2.268	10	10	FECE	
Cn1ccnc1C[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1	373111555	UUMKZYBGRKPOBV-LBPRGKRZSA-N	371.397	2.118	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c1O	375716516	CGFMLNWKVYPISS-AEGPPILISA-N	352.387	2.077	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N2CCO[C@@H](c3ccsc3)C2)cc1	283556581	QYTRRUUZJOLDBT-QGZVFWFLSA-N	373.478	2.030	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCCCC[C@@H]1CCO	806511214	FZWRAGYGKWUCEP-LJQANCHMSA-N	361.486	2.360	10	10	FECE	
CC(C)(C)N1CC[C@](F)(C(=O)NCc2ccc(N3CCOCC3)cc2)C1	290127900	ZXJUZBLIBVDTAB-HXUWFJFHSA-N	363.477	2.352	10	10	FECE	
C[C@H](NC(=O)c1ccn(-c2ccc(N)cc2)n1)[C@@H](C)NC(=O)OC(C)(C)C	2162516658	SUMBAUNVYMMNCT-QWHCGFSZSA-N	373.457	2.486	10	10	FECE	
Nc1cc2c(cc1N1CCC[C@@H](CNC(=O)C(F)(F)F)C1)CCC(=O)N2	2163116189	OKKHJMGNHFREBW-JTQLQIEISA-N	370.375	2.048	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCc2nnc(C3CC3)n2C1	815629999	UOCCEKMUGPTEEX-INIZCTEOSA-N	353.470	2.409	10	10	FECE	
COc1ccc(N2CCN(C(=O)Nc3ccc4c(n3)OCCO4)CC2)cc1	825019707	NCVVDMROWKWUAO-UHFFFAOYSA-N	370.409	2.216	10	10	FECE	
COC1CCN(c2ccc(CN3C[C@@H](OC)C[C@H]3CC(=O)O)cc2)CC1	846286755	YNXLIUZAFIHFAJ-HKUYNNGSSA-N	362.470	2.366	10	10	FECE	
COc1c(C)cccc1CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	848630251	RBTMFVBHPKFIGQ-UHFFFAOYSA-N	369.465	2.344	10	10	FECE	
COc1cc(Br)cc(CN2C[C@@H](C)N(CCO)C[C@@H]2C)c1O	841892033	SAFFZOWGEXJDAH-NEPJUHHUSA-N	373.291	2.050	10	10	FECE	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2C[C@@H]3C[C@H]2CS3)c1	840167663	CDPFAADGTGXYHJ-ROUUACIJSA-N	362.495	2.117	10	10	FECE	
C[C@@H](C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCOCC1	756430319	SVLWEWFXHMJVSU-OAHLLOKOSA-N	362.470	2.317	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC3CCC(NC(C)=O)CC3)C2)cc1	852038715	HSJIKENVINZCNW-OFLPRAFFSA-N	374.485	2.020	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](N)c3ccccc3)C2)cc1	851665047	PBIRAPLTORRSDQ-APWZRJJASA-N	354.454	2.273	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC[C@@H]1CC(=O)N(C)C1	922912359	FZDCDZSLKQPZQZ-HZPDHXFCSA-N	360.502	2.160	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H]3CNCc4ccccc43)C2)cc1	852843723	FWGFXNUPBYZCLD-JXFKEZNVSA-N	351.450	2.277	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)cc1	855224971	HBAXSBQIATYHAF-CYBMUJFWSA-N	357.366	2.318	10	10	FECE	
CCN1C(=O)CCc2cc(NS(=O)(=O)c3cccc4nonc34)ccc21	758946631	IWGUPSRQGZIIPE-UHFFFAOYSA-N	372.406	2.323	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@H](O)[C@H]2CCCO2)c1	862652559	BIFOIDLLPJYCIA-RBUKOAKNSA-N	356.422	2.176	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)N2C[C@@H]3[C@@H](C2)C3(F)F)cc1F	1349705653	DNSYNBPOGJHNIF-CHWSQXEVSA-N	369.387	2.012	10	10	FECE	
CC[C@@H](COCC1CC1)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	1118630722	FMXZPFMTTPUVCM-PBHICJAKSA-N	361.486	2.251	10	10	FECE	
C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N(C)CCCO	799364281	CVHXFFPNDINJMR-CYBMUJFWSA-N	366.417	2.103	10	10	FECE	
C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H](C)N1C(=O)OC(C)(C)C	1146710559	OMSHHUKLDJMBBH-CHWSQXEVSA-N	364.442	2.497	10	10	FECE	
CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1	1150376690	AYFXEZPDAGMPEG-QGZVFWFLSA-N	374.437	2.374	10	10	FECE	
O=C(NCc1c(O)cccc1F)c1ccc2c(=O)n3c(nc2c1)CCC3	1156164251	SZFXUZPLDCISHO-UHFFFAOYSA-N	353.353	2.117	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(C(=O)O)(C(=O)Nc2ccc(N)cc2)CC1	2120501108	XWDLEKGCUIGORI-UHFFFAOYSA-N	363.414	2.309	10	10	FECE	
CCOC(=O)c1cnn(CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)n1	1189693291	MLXHPFJAGDZPAL-UHFFFAOYSA-N	371.372	2.279	10	10	FECE	
COc1ccc(C=O)c(OCC(=O)NCc2ccc3cccnc3c2O)c1	1299721528	MECGWJXXZRXNLS-UHFFFAOYSA-N	366.373	2.457	10	10	FECE	
C[C@H](c1cc(O)ccc1O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C1	2136335377	IPCRDWACGQLFJB-ADLMAVQZSA-N	366.414	2.213	10	10	FECE	
CN[C@H](c1ccccc1O)[C@H](O)[C@@]1(C)COCCN1C(=O)OC(C)(C)C	2136532919	CKAXJAJRCIQHEJ-JTDSTZFVSA-N	366.458	2.040	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H](c1ccccc1)c1nc[nH]n1	1556594726	GHTGUPPKXZCCID-LOWQCSRCSA-N	350.378	2.177	10	10	FECE	
CCn1cccc1C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	1631442907	NIGSGUNPKVDKNG-UHFFFAOYSA-N	356.470	2.069	10	10	FECE	
O=C(c1cccc(O)c1O)N1CC(O)(c2ccc(Br)cc2)C1	1633073757	OISUMIGXKDRXMD-UHFFFAOYSA-N	364.195	2.204	10	10	FECE	
Cc1cnn(-c2cc(C(=O)NCc3ccc(O)c(O)c3)c(N)cc2F)c1	1566360007	VNZJYPSHKURPMB-UHFFFAOYSA-N	356.357	2.243	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)/C=C\c1ccc(O)c(O)c1	1643245122	JSPRNVZIQNEFLE-NTMALXAHSA-N	371.389	2.409	10	10	FECE	
CC[C@@H]1SC(=S)N(CCC(=O)Nc2ccccc2C(=O)OC)C1=O	11635782	WBBAMCHBTINELC-LBPRGKRZSA-N	366.464	2.441	10	10	FECE	
C[C@@H](NC[C@H](O)CN1CCCCC1)c1ccc(N2CCC(O)CC2)cc1	151249705	UBAZZWBVJJHRSC-UTKZUKDTSA-N	361.530	2.145	10	10	FECE	
COc1ccc(N2CCN(C(=O)COc3cc(C(C)C)ncn3)CC2)cc1	1890782094	IPVJMINDYQBOSI-UHFFFAOYSA-N	370.453	2.336	10	10	FECE	
CN(C)c1ccc([C@H](CN)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]32)cc1	1881662164	WRJXVINFEABPRV-KURKYZTESA-N	360.502	2.446	10	10	FECE	
CN(C(=O)OCc1ccccc1)C1CN(CC(=O)Nc2ccc(N)cc2)C1	1999472967	SZODGNLCKUHWCW-UHFFFAOYSA-N	368.437	2.160	10	10	FECE	
CN1CCc2cc(CN[C@@H]3[C@H](NC(=O)OC(C)(C)C)[C@H]4CCO[C@H]43)ccc21	383220081	NHPMGIIHBYOXFC-NXWXRZEISA-N	373.497	2.449	10	10	FECE	
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NS(=O)(=O)Cc1ccc(N)cc1	389786950	MMBMWKZDZJTNGH-DNVCBOLYSA-N	359.495	2.209	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2c(O)cccc2F)[C@H](CO)C1	2052718751	ZGROEBONTLNYKU-WFASDCNBSA-N	354.422	2.239	10	10	FECE	
C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1[C@H](CN)c1ccc(N(C)C)cc1	2194745261	QMSBVGMFUJXYEC-IVMMDQJWSA-N	372.435	2.284	10	10	FECE	
C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1ccccc1O	2060453025	WIESFADWFPLITL-LALPHHSUSA-N	352.431	2.186	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060619238	KOLQMQUFFNFCJP-YNEHKIRRSA-N	353.423	2.170	10	10	FECE	
CO[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2060633834	RWPMKBYEGUDLFU-QWHCGFSZSA-N	355.439	2.465	10	10	FECE	
COC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)N1CCC(CN=[N+]=[N-])CC1	2060634194	WQWWJEADBGEFJA-MRXNPFEDSA-N	355.439	2.465	10	10	FECE	
C[C@@H]1CN(C(=O)CCOc2ccc(N)cc2)C[C@H]1NC(=O)OC(C)(C)C	2106772682	HMRDHLXLIBHUQJ-CZUORRHYSA-N	363.458	2.409	10	10	FECE	
CN(CCCNCc1ccc(O)c(O)c1)CCCNC(=O)OC(C)(C)C	2096961906	ZUDHHNJVIJPXQI-UHFFFAOYSA-N	367.490	2.424	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2253544607	KPQFWUBZUVJSJX-STQMWFEESA-N	353.423	2.048	10	10	FECE	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCCCn1ccnc1	2297732936	GZVGQOJCEGKQIT-UHFFFAOYSA-N	354.370	2.078	10	10	FECE	
Cc1cncc(C=CC(=O)N2CCc3ccc(S(=O)(=O)N(C)C)cc32)c1	2302382747	KFNUWRPNIJIVEF-UHFFFAOYSA-N	371.462	2.243	10	10	FECE	
COC(=O)C[C@H]1CCCN1C(=O)C=Cc1ccc(N2CCOCC2)cc1	2302416670	CKFCREXWAOADGP-GOSISDBHSA-N	358.438	2.091	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)[C@@H]1C[C@@H]2C[C@@H]2C1	2309507476	HBQLLVWKBFWCQS-ZNTUPDCTSA-N	350.459	2.191	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2312649342	ZYMJOPWRUWRNFN-NDBYEHHHSA-N	353.423	2.094	10	10	FECE	
C[C@H](NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCN1)c1ccccc1O	2343321993	NKGLCZBTBWAOAC-KBPBESRZSA-N	363.458	2.168	10	10	FECE	
COCCCN1C(=O)N=C(O)/C(=C\Nc2ccc3oc(=O)ccc3c2)C1=O	102706205	WJUGUDMAWRUWFD-JLHYYAGUSA-N	371.349	2.044	10	10	FECE	
CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(C)n(-c3ccccn3)c1C)CC2	114869945	GTXXROVUZKHYMR-HNNXBMFYSA-N	364.453	2.388	10	10	FECE	
COc1ccc(O)c(CN2CCN(Cc3nccn3C(F)F)CC2)c1	179889049	BNFYAIGHBKJSTF-UHFFFAOYSA-N	352.385	2.310	10	10	FECE	
Cc1cccc(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1	124024828	NEGDYSOPLDKVMA-UHFFFAOYSA-N	358.417	2.365	10	10	FECE	
COc1cccc2c1C(=O)c1c(c(O)c3cc(O)cc(O)c3c1O)C2=O	35643753	BUVXHWNBBBOWFR-UHFFFAOYSA-N	352.298	2.446	10	10	FECE	in-vitro
COc1ccc(O)c(CNC(=O)NCc2cc(=O)[nH]c3ccccc23)c1	85405146	CLGSLGLKDRBISU-UHFFFAOYSA-N	353.378	2.242	10	10	FECE	
CCOC(=O)CCN1C(=O)/C(=C2\C(=O)Nc3ccccc32)SC1=S	98031554	PCSHGLUILLWCNC-OUKQBFOZSA-N	362.432	2.163	10	10	FECE	
COc1ccc(N2CCN(CC(=O)NCCc3ccccc3F)CC2)cc1	244517484	ZQLOICUFOSBWSU-UHFFFAOYSA-N	371.456	2.315	10	10	FECE	
CN1[C@H]2CCC[C@H]1CC(NC(=O)NCc1ccc(N3CCOCC3)cc1)C2	266590899	SPLKZEPXYXRALP-PMACEKPBSA-N	372.513	2.338	10	10	FECE	
CS(=O)(=O)N1CC[C@H](CN2CCCc3cc(OC(F)F)ccc32)C1	374902724	NRWYYMJJJJYJON-GFCCVEGCSA-N	360.426	2.322	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3cc[nH]c3C3CC3)CC2)cc1	284070942	VVLRBZIJPXWDLQ-UHFFFAOYSA-N	368.481	2.453	10	10	FECE	
Cc1ccc(CN(C)C(=O)C[C@@H](N)C(F)F)c(O)c1Br	2380766817	DTJLKSDWAZAFFZ-SECBINFHSA-N	351.191	2.404	10	10	FECE	
Cc1ccc(CNC(=O)C[C@@H]2CSCCN2)c(O)c1Br	2381137704	PUBWTYPORGBJLU-LLVKDONJSA-N	359.289	2.174	10	10	FECE	
COCc1ccccc1CS(=O)(=O)NCc1cccc(OC)c1O	805010760	BYNAACHIXHSLHD-UHFFFAOYSA-N	351.424	2.167	10	10	FECE	
O=C(Nc1cccc(N2CCOCC2)c1)c1cccc(Cn2ccnn2)c1	822943058	UGLUASQIKNQHOG-UHFFFAOYSA-N	363.421	2.415	10	10	FECE	
Cc1cc(CC(=O)N[C@H](C)CN2CCOCC2)c(C)n1-c1ccccc1	822108306	CRUXVSBJDAMRQT-MRXNPFEDSA-N	355.482	2.474	10	10	FECE	
C[C@H]1C[C@@H](C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCN1C	837710383	NBJHERXFHHZESQ-ZFWWWQNUSA-N	367.440	2.148	10	10	FECE	
C[C@@H](NC[C@@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(F)cc1O	842882486	GYIZNQYONJEGDN-DGCLKSJQSA-N	351.399	2.417	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](CO)[C@H](O)c1ccccn1	913580784	QQKCRVFUMVIPRQ-DOTOQJQBSA-N	371.462	2.375	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=S)NCCc3cccnc3)C2)cc1	849270589	JLTLOGXFGLGJPG-MRXNPFEDSA-N	356.495	2.376	10	10	FECE	
Cc1ncc([N+](=O)[O-])n1CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	743545344	QXXWDCLOKLETEL-UHFFFAOYSA-N	357.414	2.357	10	10	FECE	
CC1CCC2(CC1)NC(=O)N(Cc1nc(Cc3ccc(N)cc3)no1)C2=O	843162275	UWAFSEITIKADLD-UHFFFAOYSA-N	369.425	2.243	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)COc3ccc([N+](=O)[O-])cc3)C2)cc1	855230801	YNCAVDXUZZTPIE-AWEZNQCLSA-N	371.393	2.377	10	10	FECE	
CCO[C@@H](CS(=O)(=O)NCc1ccc2c(c1)CCCN2C)C1CC1	858925732	OPXDTCQFXNWERX-SFHVURJKSA-N	352.500	2.304	10	10	FECE	
C[C@H](N[C@@H]1CCc2nnn(C)c2C1)c1ccc(Br)cc1O	927147522	SNTOYHBLKLIDJR-GXSJLCMTSA-N	351.248	2.491	10	10	FECE	
CCn1cnc(S(=O)(=O)Nc2ccnn2Cc2ccc(N(C)C)cc2)c1	753086467	ZHEUSTOGVOPETD-UHFFFAOYSA-N	374.470	2.015	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)cc1	852561996	YVCQFNYTLIDEBX-UYAOXDASSA-N	369.513	2.103	10	10	FECE	
C[C@@H](CCNC(=O)NCc1cccc(Br)c1O)[S@](C)=O	764801907	VWLHBDGEKDTALX-LXGOIASLSA-N	363.277	2.111	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H]2[C@H](CCN2C)C1	867529408	HSIKZBDHGOOIDZ-AEFFLSMTSA-N	373.497	2.074	10	10	FECE	
C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1ccc3cccnc3c1O)CS2	862028634	GKHKIYWEHJSHHZ-ACJLOTCBSA-N	357.435	2.011	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCCC[C@@H]2[C@H]2CNC(=O)C2)c([N+](=O)[O-])c1	764178305	GKOKIUNALNFEMO-JHSOUAKNSA-N	373.409	2.276	10	10	FECE	
C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccncc1	1119129978	GDVZSLYQQXIVNZ-MRXNPFEDSA-N	366.465	2.218	10	10	FECE	
COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)NCc2cccc(OC)c2O)C1	776239944	NUYVJESEOQLARP-TZMCWYRMSA-N	365.430	2.067	10	10	FECE	
O=C1CCC2=C(CCN(c3nnc(-c4sccc4O)n3CC3CC3)C2)N1	1123518215	CJCXKHSZOQWLQR-UHFFFAOYSA-N	371.466	2.496	10	10	FECE	
O=C(NCc1cccc(O)c1O)[C@H]1CCCN(C(=O)c2ccccc2)C1	1123890537	ZLSSNVQPQLKXAE-INIZCTEOSA-N	354.406	2.266	10	10	FECE	
CN(C)c1ccc(CNC(=O)N(C)C2CCN(c3cnccn3)CC2)cc1	788541210	RXSXRDBBICFZCD-UHFFFAOYSA-N	368.485	2.353	10	10	FECE	
COc1nn(C)cc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	789319501	YVIDCAUPVCJINK-ZDUSSCGKSA-N	359.430	2.148	10	10	FECE	
C[C@@H]1CCN(c2cc(C(=O)OCC(=O)c3ccc(O)c(O)c3)ccn2)C1	784063384	CVDBQJHDUZGISG-GFCCVEGCSA-N	356.378	2.379	10	10	FECE	
CN1CCN(c2ccc(CNCc3cccn(C(F)F)c3=O)cc2)CC1	895606380	DOAIUDHLVXEGKW-UHFFFAOYSA-N	362.424	2.285	10	10	FECE	
CS[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1N(C)C	897238007	SZNFMXOUCNJAOX-MEBBXXQBSA-N	352.481	2.430	10	10	FECE	
COc1ccc(CNC(=O)Cc2nnn(-c3ccc(C)cc3)c2C)c(O)c1	794389302	KSKGCMFPTDSLSG-UHFFFAOYSA-N	366.421	2.457	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1(C)C	2124330089	MOXHRDKFCBKISC-CABCVRRESA-N	364.442	2.306	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C[C@H]1COC[C@H]1NC(=O)OC(C)(C)C	2131394288	NRFPLRODFDVGHM-LSDHHAIUSA-N	364.442	2.280	10	10	FECE	
O=C(Nc1c(Cl)ccc2nonc12)[C@H]1C[C@@H]2CC[C@H](C1)S2(=O)=O	1525322059	HZUUXLMWFOHNDW-PSVAKVPMSA-N	355.803	2.171	10	10	FECE	
CCc1cccc(CN[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c1O	1918667888	DPVOKRQSBGNSJL-ZDUSSCGKSA-N	350.459	2.415	10	10	FECE	
Cc1[nH]nc(I)c1C(=O)N(C)Cc1ccccc1O	1545503400	ZKDHFHABDXOQJK-UHFFFAOYSA-N	371.178	2.301	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCCn3cccc3)cc2)C1	1544930354	YAYOEQKPKITOOQ-SFHVURJKSA-N	368.481	2.286	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N[C@@H](CO)c1ccc(Br)cc1	1637929265	OWTMCZNNHPLILY-ZDUSSCGKSA-N	366.211	2.253	10	10	FECE	
COc1cccc(CNC(=O)[C@]2(O)CCCN(Cc3ccccc3)C2)c1O	1631540147	KREPSPCYJLPNDI-NRFANRHFSA-N	370.449	2.044	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)CN(C)C(=O)OC(C)(C)C)cc1	1557357738	YZRCZSLUEGOTPP-UHFFFAOYSA-N	365.474	2.457	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cccc(CNC(C)=O)c3)C2)cc1	1587113990	PNJFJGLRKKUYGF-SFHVURJKSA-N	367.449	2.340	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)c2ccsc2S(N)(=O)=O)cc1	1596578795	QEMONGSABNAJIO-UHFFFAOYSA-N	367.496	2.172	10	10	FECE	
O=S1(=O)C[C@H]2C[C@@H](CN(Cc3cccc(Br)c3O)C2)C1	1972377368	QNVFRZKRJVJVFQ-QWRGUYRKSA-N	360.273	2.021	10	10	FECE	
CN(C)c1ccc([C@@H](N)C2(O)CN(C(=O)OCc3ccccc3)C2)cc1	1979576386	BIFOUNLXOGPWBV-GOSISDBHSA-N	355.438	2.136	10	10	FECE	
C[C@H](N[C@@H]1[C@H](NC(=O)OC(C)(C)C)[C@@H]2CCO[C@H]21)c1cc(O)ccc1O	311299040	IAHURSOBSUXLDD-OCNQBYMTSA-N	364.442	2.429	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(F)cc(F)c2O)[C@H](O)C1	883196767	VRYRUZSNEXGGSM-ZIAGYGMSSA-N	358.385	2.130	10	10	FECE	
CCCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)Cc1ccc(N)cc1	2044598767	VXRBRJUZENJZDE-UHFFFAOYSA-N	371.503	2.335	10	10	FECE	
COc1cc(Cl)cc(CNCc2nn(C)nc2Br)c1O	2235255111	AATLOSUBINYATL-UHFFFAOYSA-N	361.627	2.235	10	10	FECE	
O=S(=O)(C1CN(c2ccc(CO)cc2Br)C1)C(F)(F)F	2237657733	LHNVIYJJWAURJS-UHFFFAOYSA-N	374.178	2.065	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@]3(O)[C@H]4C[C@@H]3CN(C(=O)OC(C)(C)C)C4)ccc21	2286228723	PVKVUQLYWCGPGE-VWFIUDSGSA-N	373.497	2.297	10	10	FECE	
COc1ccc(O)c([C@@H](C)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c1	2308260989	GPIHOJCCOIOGPW-DFBGVHRSSA-N	352.431	2.344	10	10	FECE	
CN1CCN([C@H](CNC(=O)C2CCCC2)c2ccc(N(C)C)cc2)CC1	22589150	UCTLCEVCLBKXPT-HXUWFJFHSA-N	358.530	2.348	10	10	FECE	
COc1ccc(N(C)C[C@H](O)CN2C(=O)c3ccccc3C2=O)cc1Cl	177072275	CNAUWQOVXCVKLL-ZDUSSCGKSA-N	374.824	2.442	10	10	FECE	
COc1ccc(CN2CCN(CC(=O)Nc3ccccc3)CC2)c(O)c1	124727355	YADIPBZIXMKNIO-UHFFFAOYSA-N	355.438	2.157	10	10	FECE	
CN(C)c1ccc(CNC(=O)NCCN2CCc3ccccc3C2=O)cc1	188686715	GNGYOPBHOWUBQU-UHFFFAOYSA-N	366.465	2.250	10	10	FECE	
COc1cc(O)c(CN2CCCC[C@@H]2CN2CCOCC2)cc1OC	180027552	HQGOEQGKONJSFJ-MRXNPFEDSA-N	350.459	2.096	10	10	FECE	
COc1cc(O)c(CN[C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1OC	191807181	VJJGAWBAXYNMJK-INIZCTEOSA-N	374.412	2.439	10	10	FECE	
CCCCCNC(=O)[C@H]1C[C@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1	242551543	CBKWJRAFXMMHCD-RBUKOAKNSA-N	373.497	2.286	10	10	FECE	
C[C@@H](CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1)Cn1ccnc1	255920812	HPSWBCCNZFLXSL-IMXKFXGHSA-N	354.454	2.185	10	10	FECE	
Cn1cc2c(n1)CCC[C@@H]2NC(=O)NCc1ccc(N2CCOCC2)cc1	282527959	VCVSAGLHAAKOMF-SFHVURJKSA-N	369.469	2.134	10	10	FECE	
NCc1ccc2c(c1)CCCN2CC(=O)NCCOc1cccc(F)c1	843349844	GDEKVQVYRDCBLX-UHFFFAOYSA-N	357.429	2.232	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)CNC(=O)c2ccsc2)cc1	846441606	ANPUJTBWEWJHES-UHFFFAOYSA-N	361.467	2.081	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN(C)C[C@@H]3CC=CCC3)CC2)cc1	754270653	NYBTVRXCOMQCMN-TZIWHRDSSA-N	373.541	2.466	10	10	FECE	
CO[C@@H]([C@H](N)Cc1ccc(O)c(O)c1)C1(NC(=O)OC(C)(C)C)CC1	1953053838	QXGISFABLXMXQX-DOMZBBRYSA-N	352.431	2.040	10	10	FECE	
COc1ccc(N2CCCN(C(=O)[C@H]3CCCN(C4CC4)C3=O)CC2)cc1	930309052	DOOGLQBMMOFPQR-LJQANCHMSA-N	371.481	2.135	10	10	FECE	
CCO[C@@H](C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C1CCOCC1	869230188	GLJSOCBPUKQHIA-VQIMIIECSA-N	362.470	2.222	10	10	FECE	
Cc1cc(C(=O)CN2C[C@H]3C[C@]3(CO)C2)c(C)n1-c1ccc2c(c1)OCO2	782607152	SYQIAVQVPGDHKV-QVKFZJNVSA-N	368.433	2.320	10	10	FECE	
C[C@H](NC(=O)C(C)(C)c1cnn(C)c1)c1ccc(N2CCOCC2)cc1	783933761	ROKJZKPPDCYBRN-HNNXBMFYSA-N	356.470	2.412	10	10	FECE	
Cc1ncccc1/C=C\C(=O)NCc1ccc(N2CCN(C)CC2)cc1	893607607	IAGMHZZJBGXQEF-YFHOEESVSA-N	350.466	2.471	10	10	FECE	
CCn1cc([C@H]2C[S@](=O)CCN2Cc2cc3c(cc2O)CCC3)cn1	792714711	FDZJMNBMIIYRRL-IQGLISFBSA-N	359.495	2.403	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3ccc(O)c(O)c3)C[C@@H]2C1	2118176113	OMJCMDXNUYXCHT-ZIAGYGMSSA-N	362.426	2.427	10	10	FECE	
CN(C)CCN(CC(=O)N(C)Cc1ccccc1O)C(=O)OC(C)(C)C	2124183773	RXVCCHKCICANEH-UHFFFAOYSA-N	365.474	2.149	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)NC[C@@]34CCC[C@@H]3C4)CC2)cc1	1333125581	JNNATOTUVPAMSV-VFNWGFHPSA-N	371.481	2.087	10	10	FECE	
Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)NCC2(CN=[N+]=[N-])CC2)cn1	2124535334	MCBLQXYUEPDYRA-LBPRGKRZSA-N	363.422	2.193	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N2CCC(N=[N+]=[N-])CC2)C1	2124541277	QQVCBYRDTBQJAL-SJCJKPOMSA-N	365.434	2.171	10	10	FECE	
COC1(C)CN(c2nnc(-c3sccc3O)n2Cc2cc(C)on2)C1	1263804487	PKKABILYWZHCQN-UHFFFAOYSA-N	361.427	2.282	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1	1297562928	SSOCAXSNOVRGCB-OAHLLOKOSA-N	351.355	2.136	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N[C@@H](CO)[C@H]3CCOC3)c2C)cc1	1295798560	JCXZJQRNGIWGBS-KXBFYZLASA-N	358.438	2.230	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC(C)(C)[C@@H]1NCCc1ccc(O)c(O)c1	2136996757	QFUZXIVOINTBOC-CZUORRHYSA-N	366.458	2.301	10	10	FECE	
C[C@@H](NCC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1ccccc1O	1560074658	AMPHNRWHCVWDCQ-SNVBAGLBSA-N	359.451	2.331	10	10	FECE	
COC(=O)[C@@H](CNC(=O)c1c(F)ccc(O)c1O)Cc1cccc(F)c1	1638307492	OJVUKRGJEVWQJD-LLVKDONJSA-N	365.332	2.138	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CCCS(=O)(=O)C1	1685909535	IDSIYLTWVXUOBO-MRXNPFEDSA-N	365.499	2.005	10	10	FECE	
COC(=O)[C@@H](C)N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S	6098189	GEDDPWJDANKOLE-XAPLUZPNSA-N	352.393	2.358	10	10	FECE	
COC(=O)/C=C/c1ccc(N(C)C[C@@H]2CCN(C(C)=O)C2)c([N+](=O)[O-])c1	165899680	OCGGTWWQASEMIO-ZKKXHLJNSA-N	361.398	2.086	10	10	FECE	
Cc1cccc(CNC(=O)c2cc(=NC(=O)OC(C)(C)C)[nH]n2C)c1O	2139761182	WNNXWSUIPNWXKL-UHFFFAOYSA-N	360.414	2.133	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)N2CCCc3nnc(O)cc32)C1	2141158631	HIKDDOMFDHRGAQ-GFCCVEGCSA-N	360.414	2.075	10	10	FECE	
C[C@H](NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccccc1O	1877550015	WEFMBYTZYNXZRM-XEZPLFJOSA-N	364.442	2.187	10	10	FECE	
CC(C)(C)OC(=O)N1CCC=C[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	1968739078	KJBSWIQNNBRWMD-CQSZACIVSA-N	362.426	2.322	10	10	FECE	
C[C@H](c1cc(Br)ccc1O)N1C[C@@H]2[C@H](CCS2(=O)=O)C1	2145072850	VASOITXIUCEOIR-GPCCPHFNSA-N	360.273	2.335	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NCc1ccc2c(c1)CCO2	387866690	SBOCCSQOHOTKLH-HPBDAGMYSA-N	360.454	2.392	10	10	FECE	
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cccc(O)c1O	790942558	IVPPHUOZOKUTEB-DGCLKSJQSA-N	350.415	2.473	10	10	FECE	
CCS(=O)(=O)[C@@H]1CCN(c2ccc(CN)c(Br)c2F)C1	2179891172	SVBGKWQQQUEJBM-SNVBAGLBSA-N	365.268	2.060	10	10	FECE	
CN1CCc2cc([C@@H](CN)N3C[C@@H]4C[C@H](C3)N4C(=O)OC(C)(C)C)ccc21	2194554497	IIIVNJGBPBKNIX-ZIFCJYIRSA-N	372.513	2.372	10	10	FECE	
C[C@H](CNC(=O)OC(C)(C)C)N(C)CC(=O)N(C)c1ccc(N)cc1	2044612504	XRDSTLPWFLUUIX-CYBMUJFWSA-N	350.463	2.077	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2ccc(O)c(O)c2)C1	2054410987	SSPUHUFOHKXZOV-YPMHNXCESA-N	350.415	2.473	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)CCOC1	2060640522	WHEMQZULOQZPQY-BLLLJJGKSA-N	353.423	2.219	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)N2CC[C@H](N=[N+]=[N-])C2)C1	2060639584	JSRPIURONGVALA-BLLLJJGKSA-N	353.423	2.050	10	10	FECE	
CCc1cccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)c1O	2063348250	KAQXRUPRVDGGPS-CVEARBPZSA-N	350.459	2.415	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)COc3ccc(N)cc3)[C@H]1C2	2106254682	CDHWAKATIMFKPE-APHBMKBZSA-N	361.442	2.162	10	10	FECE	
CC(C)c1nncn1CCNC(=O)C=Cc1ccc(N2CCOCC2)cc1	2297755111	DAZYSMIYXWNBRT-UHFFFAOYSA-N	369.469	2.068	10	10	FECE	
C[C@H](NC(=O)C=Cc1ccc(O)c(O)c1)C1(N2CCOCC2)CCCC1	2307987954	VGDVOEFOUGUDAH-HNNXBMFYSA-N	360.454	2.261	10	10	FECE	
CCCNS(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	62370891	JFHCNXWVYYZOKU-GOSISDBHSA-N	368.547	2.114	10	10	FECE	
Cn1nnc2ccc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc21	183452846	RNPFLDJUYAIHGS-MRXNPFEDSA-N	366.421	2.495	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCCC[C@@H]1c1nc[nH]n1	121816475	FEGXWTLZSIIGKC-QGZVFWFLSA-N	356.474	2.056	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCN(c2ncccn2)C1	47102818	TXTGSLDCTFXMBV-QGZVFWFLSA-N	368.485	2.353	10	10	FECE	
O=C(OCc1ccccc1)N1C[C@@H](c2ccc(O)c(O)c2)[C@@H]([N+](=O)[O-])C1	382711762	HNXWEOWDMFTKNS-GJZGRUSLSA-N	358.350	2.479	10	10	FECE	
Cc1ccc(CNS(=O)(=O)c2cccnc2)c(O)c1Br	2380759931	SLCHQIXSGDWHIF-UHFFFAOYSA-N	357.229	2.337	10	10	FECE	
CCOC(=O)C1(C(=O)NCc2c(O)ccc3c2CCCC3)CCOCC1	802784740	FEYPKYXDJFMFDY-UHFFFAOYSA-N	361.438	2.247	10	10	FECE	
Cc1noc(C)c1CCCNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	806484882	JNFOICCESXKXEC-ZDUSSCGKSA-N	372.469	2.284	10	10	FECE	
C[C@@H](Sc1nncn1C)C(=O)NCc1cc(Br)ccc1O	804739309	VOAMVTFNWBJWFH-MRVPVSSYSA-N	371.260	2.080	10	10	FECE	
COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)C1	819587760	POCJPRRHVQSCPG-OWCLPIDISA-N	360.454	2.227	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N(C3CC3)[C@H]3CCNC3)C2)cc1	818655333	LIYZGPIHVKAJOX-YJBOKZPZSA-N	358.486	2.057	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)C3CN(C)CCN(C)C3)cc2)CC1	906618098	VGVSGBXJZSMBJN-UHFFFAOYSA-N	358.530	2.033	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C(=O)NCc3ccc(O)c(O)c3)[C@@H]2C1	907060846	PSUFXTGVTPTVLA-ZENOOKHLSA-N	362.426	2.217	10	10	FECE	
O=C(NCc1cccc(Br)c1O)N[C@@H]1CC12CCNCC2	831186037	HQKREZDJTQLOHN-GFCCVEGCSA-N	354.248	2.096	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)c3cc(OC)cnc3F)C2)cc1	847089326	WPKLRHDTEKULJK-ZDUSSCGKSA-N	359.401	2.494	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)NCC[S@](=O)CC(F)(F)F)c1	852461826	LFKBSTWZQMWTNF-ITSYKEIMSA-N	368.377	2.072	10	10	FECE	
Cc1cc(O)c(CN[C@@H]2CCN(c3ccc4nncn4n3)C2)c(Cl)c1	858244378	WDZQYRKTGXPTHF-GFCCVEGCSA-N	358.833	2.160	10	10	FECE	
CCOc1ccc(O)c(CN2CCC[C@@](O)(Cc3nc(CC)no3)C2)c1	856594017	XDNAPWGMBOGNMS-LJQANCHMSA-N	361.442	2.306	10	10	FECE	
OC1(Cc2ccccn2)CCN(Cc2ccc(N3CCOCC3)cc2)CC1	930988121	LDEMYOOTGFGWCP-UHFFFAOYSA-N	367.493	2.488	10	10	FECE	
COc1ccc(N2CCC(N3C(=O)N4C[C@@H](OC)C[C@]4(C)C3=O)CC2)cc1	865302110	NREZCVLPIURRJT-FXAWDEMLSA-N	373.453	2.106	10	10	FECE	
CO[C@H](C)CS(=O)(=O)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	764195327	RAJGKWXSCPJTRY-GFCCVEGCSA-N	368.430	2.328	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNc3cccc(F)c3C(N)=O)cc2)CC1	893400531	FQZPSOPYMKGKLC-UHFFFAOYSA-N	370.428	2.205	10	10	FECE	
Cn1nccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2124516933	WZTGLDNKYZUYSX-YPMHNXCESA-N	363.422	2.145	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](C)C(F)(F)F	1329403363	VEAKNWHTZYIDIY-ONGXEEELSA-N	363.332	2.277	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](c2nc(=NCc3ccc(N)cc3)[nH][nH]2)C1	2128846683	CSKPTERQWBLGTQ-ZDUSSCGKSA-N	358.446	2.145	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2C[C@@H](CO)[C@@H](CCO)C2)c1	1351005344	KPMJMFMRSPADJB-ROUUACIJSA-N	356.466	2.465	10	10	FECE	
C[C@@H](NCc1ccc(O)cc1O)C1(O)CCN(C(=O)OC(C)(C)C)CC1	1918978111	QLNLTKDLFCKKNY-CYBMUJFWSA-N	366.458	2.338	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cc1	1542354916	QKKZXWILWCXXSU-CYBMUJFWSA-N	371.372	2.062	10	10	FECE	
Nc1ccnc(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)c1	1636424757	KEIQKDBGFZPMFX-UHFFFAOYSA-N	365.481	2.126	10	10	FECE	
O=C(NCc1cccc(Br)c1O)c1cccc(-n2cncn2)n1	1635839940	OETZMVPTZYJHLT-UHFFFAOYSA-N	374.198	2.060	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2cccc(-c3nc(=O)o[nH]3)c2)cc1F	1631438752	ZJMHOXRWNIPULK-UHFFFAOYSA-N	356.357	2.165	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)Cc3cccc(OC)n3)CC2)cc1	1596733259	PMIYHZQXCJPMDO-UHFFFAOYSA-N	355.438	2.380	10	10	FECE	
COc1ccc(N(CC(=O)N2CCC[C@H](C(N)=O)C2)[C@@H](C)C2CC2)cc1	154988408	VQTHNBVBKSDHMW-HOCLYGCPSA-N	359.470	2.024	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H]2[C@H](C)OCCN2C(=O)OC(C)(C)C)c1O	2139740694	BVQALGOPFLXYGV-ZFWWWQNUSA-N	364.442	2.341	10	10	FECE	
CO[C@H]1CN(Cc2cc(Cl)cc(Br)c2O)C[C@H]1C(=O)O	708117179	XDIWRNLXYKXGQO-KOLCDFICSA-N	364.623	2.340	10	10	FECE	
Nc1ccc(OCCC(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)cc1	398410052	SHZJPJPBTNSCFR-RTBURBONSA-N	351.450	2.284	10	10	FECE	
C[C@@](NC(=O)C(F)(F)F)(C(=O)NCc1ccccc1O)C(F)(F)F	2060381921	KFRUGINXMVYMMH-LLVKDONJSA-N	358.238	2.008	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@H](CN=[N+]=[N-])C1)[C@@H]1CCCO1	2060638000	QUQIIFYFEPXMEQ-AVGNSLFASA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CCCc3c(N)cccc32)=C[C@H]1O	2200986409	AYQZJVFJQWREAD-DOTOQJQBSA-N	373.453	2.132	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)COc1ccc(N)cc1	2106238795	FQXLGSAEBCTSPT-CZUORRHYSA-N	363.458	2.457	10	10	FECE	
CO[C@H]1[C@H](COc2ccc(N)cc2)N(C(=O)OC(C)(C)C)C[C@H]1OC	2218296263	SICHWWVSEIQIRY-XHSDSOJGSA-N	352.431	2.297	10	10	FECE	
COc1ccc(N2CC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)C2)c(OC)c1	2226807141	VEQJFULNYIEVHP-UKRRQHHQSA-N	366.458	2.416	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@]2(C(=O)N3CCC[C@H]3CN=[N+]=[N-])CO[C@H]1C2	2266115690	WJPHOVMYJRVIAD-MRHIQRDNSA-N	365.434	2.360	10	10	FECE	
CSc1ncc(CNC(=O)c2ccc(Br)c(NN)n2)s1	2284713491	QAYNOAOOKCHBFV-UHFFFAOYSA-N	374.289	2.238	10	10	FECE	
Cc1n[nH]c(=NC2=NC(=O)C(=Cc3cnc4ccccc4n3)S2)s1	2297580106	PHOAJBHCDZLIGK-UHFFFAOYSA-N	354.420	2.294	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@](N)(c2ccc3c(c2)CCN3C)C1	2344480835	DSBVLUHPJILECB-UZLBHIALSA-N	361.486	2.489	10	10	FECE	
O=C1CN(c2ccc(CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)CCN1	106261853	YMPGTNZYYXRMNF-UHFFFAOYSA-N	371.353	2.051	10	10	FECE	
CC[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CCN1C[C@@H](C)O	120705464	VCWIZOIQUVYJIY-BXUZGUMPSA-N	357.838	2.231	10	10	FECE	
O=C(O)C[C@@H](CNC(=O)OCc1ccccc1)c1cc(O)c(O)c(O)c1	1951420462	NGFQTJMQJVOXHI-ZDUSSCGKSA-N	361.350	2.288	10	10	FECE	
CC[C@@H](N[C@@H]1CCC(=O)N(C)C1=O)c1cc(Br)ccc1O	90025985	BHSWYUXZUBDHBX-VXGBXAGGSA-N	355.232	2.343	10	10	FECE	
Cc1nc(N2CCN(Cc3cc(Cl)ccc3O)CC2)c2cnn(C)c2n1	93273291	JWJHZNXPIIYKPP-UHFFFAOYSA-N	372.860	2.353	10	10	FECE	
CC[C@H](NCCNS(=O)(=O)c1cccnc1)c1ccc(N(C)C)cc1	90583974	XKUNLILSHWTRPB-SFHVURJKSA-N	362.499	2.167	10	10	FECE	
Cc1cc(O)c(CNC[C@@]2(CO)COCC3(CCC3)N2C)c(Cl)c1	527753666	LWDNCWUEMORDHL-GOSISDBHSA-N	354.878	2.059	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N[C@@H](CO)c1ccccc1	255755495	NNVBZQXCTZWPCY-WUQYLLKWSA-N	352.434	2.386	10	10	FECE	
CCN(CC)c1ccc(CN(C)C[C@@H]2CCN(S(C)(=O)=O)C2)cc1	801507221	BBVOLMANWRJHAR-KRWDZBQOSA-N	353.532	2.246	10	10	FECE	
C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1CCC(=O)Nc1ccc(N)cc1	2162947014	DACLILKZLODAOT-SMDDNHRTSA-N	372.391	2.129	10	10	FECE	
Cc1nc(CN2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)oc1C	588406710	MHPKDOZRWWIYPT-XQRVVYSFSA-N	357.410	2.060	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cnc(C4CC4)nc3O)C2)cc1	912291957	FXOUYWPMACHSIS-CYBMUJFWSA-N	354.410	2.077	10	10	FECE	
C[C@@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCO1	914242671	QYHPAZMTOYXZBR-CQSZACIVSA-N	365.449	2.107	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC[C@H]([C@H]2CCOC2)C1	749557199	FFUGINBLEJNYNO-OALUTQOASA-N	359.514	2.460	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@H](C)c1ccc(I)cc1	910134612	JVHJQDAJGISDBK-MRVPVSSYSA-N	360.147	2.096	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cn3ccc(C(F)F)n3)CC2)cc1F	859966247	RWBVJUQGZPHJOV-UHFFFAOYSA-N	368.359	2.317	10	10	FECE	
C[C@@H]1Oc2ccccc2N(CCC(=O)NCc2c(O)cccc2F)C1=O	928710247	RFHNPLQGGOQKKC-LBPRGKRZSA-N	358.369	2.352	10	10	FECE	
COC[C@@]1(C)CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CCO1	858865844	RSQVDCHSXMYEGH-QQOXCAACSA-N	350.371	2.023	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCCN3CCC[C@@H](C)C3)C2)cc1	851979591	ZDENSMVFTDGFFQ-IAGOWNOFSA-N	360.502	2.305	10	10	FECE	
COc1nnc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)s1	931029855	DURXJNPWFPEYNY-CYBMUJFWSA-N	364.475	2.037	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1n[nH]cc1C(F)(F)F	868965424	AKGVHPUXQFMBHY-UHFFFAOYSA-N	371.315	2.340	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)[C@H]3CCC[C@H](F)C3)CC2)cc1	1118155248	NFUOJAMXHGHHPR-IRXDYDNUSA-N	363.477	2.462	10	10	FECE	
Cc1ccc(C(=O)NC[C@H](O)[C@@H]2CCCO2)cc1-n1c(C)cc(C=O)c1C	862655952	XNXAAJNCWJKTGP-PMACEKPBSA-N	370.449	2.485	10	10	FECE	
O=C(CNC(=O)c1cc2c(s1)CCCC2)NCc1ccc(O)c(O)c1	778930367	UXAKIYRQPDXWDF-UHFFFAOYSA-N	360.435	2.084	10	10	FECE	
CN1CCN(c2ccc(CN3CC[C@@H](Oc4ccncc4)C3)cc2)CC1	789768449	HLSPKVSCBQQYFK-OAQYLSRUSA-N	352.482	2.487	10	10	FECE	
CN(C)c1ncn(-c2cccc(NC(=O)/C=C\c3ccc(O)c(O)c3)c2)n1	799722437	OOSIOHLIGAFRRV-CLFYSBASSA-N	365.393	2.396	10	10	FECE	
CCCN1C(=O)CC[C@@H](C(=O)NCc2ccccc2O)[C@@H]1c1cncn1C	793679248	CWWWEXXLESPUID-DNVCBOLYSA-N	370.453	2.132	10	10	FECE	
CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1	1142727621	BMFWZFGAJUZUKV-UHFFFAOYSA-N	371.418	2.242	10	10	FECE	
CCOC(=O)c1cnn2c(C(=O)N[C@H](C)c3ccccc3O)ccnc12	1151885906	MPCJFMHOYWJFRB-LLVKDONJSA-N	354.366	2.103	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CC(=O)N2CCC(CN=[N+]=[N-])CC2)C1	2124533768	FVWFOYXMPKVPJY-UONOGXRCSA-N	367.450	2.153	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CNC(=O)CCOc1ccc(N)cc1	2117649368	YCKGSBUPHLZYCE-KBPBESRZSA-N	363.458	2.315	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NCc2ccc3c(c2)CCCO3)C1	2126907473	NGWDYQUTAZJMFA-IAGOWNOFSA-N	362.470	2.472	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1	2132411004	RLELUKFZJOBSSV-JQWIXIFHSA-N	366.414	2.227	10	10	FECE	
Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)c3ccccc3)C2)c(O)c1O	1444690464	VSMWBALNKIQWRO-OAHLLOKOSA-N	354.406	2.441	10	10	FECE	
Cc1oc(C(=O)NCc2ccc3cccnc3c2O)cc1S(C)(=O)=O	1451951246	CHIDRXFHKKKCRU-UHFFFAOYSA-N	360.391	2.175	10	10	FECE	
C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	1540440927	ZAQIWHQJPCWTDV-ZTFGCOKTSA-N	371.481	2.275	10	10	FECE	
CC1(C)OC[C@H](/C=C/C(=O)NCc2cccc(Br)c2O)O1	1626822166	LFNHLWUPIFAJBR-MLRMMBSGSA-N	356.216	2.479	10	10	FECE	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3cc(O)ccc3O)c12	1633595259	OMJXLMPYSOEQEZ-UHFFFAOYSA-N	352.394	2.495	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNc3ccc([N+](=O)[O-])nc3)cc2)CC1	1652239398	FOQOHXPSHRXREI-UHFFFAOYSA-N	355.398	2.304	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)C2CCNCC2)N2CCCCC2)cc1	1865871898	VCBQWWRTNRCSTK-FQEVSTJZSA-N	358.530	2.395	10	10	FECE	
COCCOCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1866103501	LHNYVRPTAOURMF-IBGZPJMESA-N	363.502	2.059	10	10	FECE	
O=C(N[C@@H]1COCC[C@@H]1NCc1ccc(O)c(O)c1)OCc1ccccc1	1943954466	IAEPNFIAFQOQLQ-DLBZAZTESA-N	372.421	2.271	10	10	FECE	
CC(C)(C)OC(=O)N1CCSC[C@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2010405304	HNARMNDSVNHRHU-RYUDHWBXSA-N	355.464	2.498	10	10	FECE	
O=C(N[C@@H]1CN(Cc2ccccc2)[C@]2(CCOC2)C1)c1cccc(O)c1O	2154517536	KOYFUFJZNWHYFV-HRAATJIYSA-N	368.433	2.261	10	10	FECE	
C[C@H](c1c(O)cccc1F)n1ncc(CN)c1I	2070410429	AXYKONBDGFHBHK-SSDOTTSWSA-N	361.158	2.400	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2060618656	BTUNABXPIBFMTM-CHWSQXEVSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)N2CCC[C@H](N=[N+]=[N-])C2)C1	2060640518	WEHBEAUBASDZBD-QWHCGFSZSA-N	353.423	2.314	10	10	FECE	
C[C@H](N=c1[nH]nc(CNC(=O)OC(C)(C)C)o1)c1c(O)cccc1O	2083271624	KXGPBGRTUVZZMU-VIFPVBQESA-N	350.375	2.101	10	10	FECE	
CN1CCCc2cc([C@]3(N)COCCN(C(=O)OC(C)(C)C)C3)ccc21	2106856786	DLCAQZDAMXPBFG-HXUWFJFHSA-N	361.486	2.490	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])CCCOC1	2218743182	IVFSXHASWRSYCI-MQIPJXDCSA-N	353.423	2.408	10	10	FECE	
CP(C)(=O)C1CN(c2cc3c(cc2Br)[C@H](N)C(=O)N3)C1	2286180738	FNMJSTHRHFCBJD-LBPRGKRZSA-N	358.176	2.212	10	10	FECE	
CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S	2296883491	WGXWDQBAQSRVGP-SECBINFHSA-N	351.405	2.480	10	10	FECE	
CC(C)(C)[S@](=O)CCNC(=O)C=Cc1ccc(N2CCOCC2)cc1	2297544398	LPEQBHOSLCUMKK-RUZDIDTESA-N	364.511	2.200	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(C1)[C@H](C(=O)N1CC[C@@H](N=[N+]=[N-])C1)CO2	2342985295	LFBIKJNIGACIOC-SBUZTJRASA-N	365.434	2.218	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ncncc1Cl	176646653	QLVSZTRIPNSRLL-UHFFFAOYSA-N	360.845	2.269	10	10	FECE	
CS(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1	62330513	LAIOMMDLQXSPPS-UHFFFAOYSA-N	360.435	2.179	10	10	FECE	
Cc1ccc(CN2CC[C@@H]3CS(=O)(=O)C[C@H]32)c(O)c1Br	2380714390	VKFTVSILIBTXEO-VXGBXAGGSA-N	360.273	2.082	10	10	FECE	
CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H]1CCCN(c2cccnn2)C1	588407166	MHMOQDURUIYSCL-SOIVGHGOSA-N	354.410	2.028	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1	835054157	NRKZFOATXVEOJH-WSGSOLELSA-N	363.527	2.266	10	10	FECE	
C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)c2c(F)ccc(O)c2O)C1	839789340	UHRWHFQZVZJYRW-SECBINFHSA-N	350.312	2.193	10	10	FECE	
Cc1cc(C(=O)N[C@@H](C[C@@H]2CCCOC2)C(=O)O)c(C)n1-c1ccccn1	910237153	SUVPAPVWRRZVCJ-RDJZCZTQSA-N	371.437	2.489	10	10	FECE	
CC(C)(C)OC(=O)COCC(=O)NCc1cccc(Br)c1O	843867924	VBOBHADGHDCHPW-UHFFFAOYSA-N	374.231	2.129	10	10	FECE	
COCC(C)(C)C(=O)NCc1cc(NC(=O)C(C)(C)COC)ccc1O	923121431	DZFFEEPXRSAUKY-UHFFFAOYSA-N	366.458	2.292	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3CCN(C4CC4)C3)C2)cc1	852182263	MLMOSPUFGCWSAE-HZPDHXFCSA-N	358.486	2.057	10	10	FECE	
COC(=O)Cc1ccnc(NCc2ccc(N3CCOCC3)c(F)c2)c1	853195831	WOCCKNDFHDOTMV-UHFFFAOYSA-N	359.401	2.385	10	10	FECE	
OCc1nnc2n1CCN(Cc1ccc(OCc3ccccc3)cc1O)C2	753543960	GHVDPLJMXYOWRO-UHFFFAOYSA-N	366.421	2.071	10	10	FECE	
Cn1ncc2cc(CNCc3ccc(N4CCC(CO)CC4)cc3)cnc21	865429083	IGKLMFXPYYXOCF-UHFFFAOYSA-N	365.481	2.467	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H]3CCC[C@@H]3O)cc2F)C[C@@H](C)O1	875118012	HUPDMTRIOXOPGI-VLWCASSMSA-N	365.449	2.152	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc(C)nc(C)n3)CC2)c(OC)c1	870167447	IUEMFIFMHXBOOM-UHFFFAOYSA-N	356.426	2.073	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cnn(C)c2C2CC2)cc1	770726448	XXVNTQGLSCQCTF-UHFFFAOYSA-N	369.469	2.399	10	10	FECE	
CC(C)CN(C)S(=O)(=O)NCc1cc(Br)ccc1O	796190536	ITQMRXGDXXXDJD-UHFFFAOYSA-N	351.266	2.077	10	10	FECE	
O=C(NCc1ccccc1O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O	790264374	KDEJISIHHRLLKA-INIZCTEOSA-N	357.385	2.132	10	10	FECE	
C[C@@H](c1ccccc1)[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(N)=O	1141552892	CEBSWFXHZMDZIW-XHDPSFHLSA-N	353.382	2.236	10	10	FECE	
Cc1cnc(C2(NC(=O)c3ccc(N=NC(N)=O)cc3)CCOCC2)[nH]1	1157181353	RJMZNFXATYRQGU-UHFFFAOYSA-N	356.386	2.316	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1	1324913590	HCFJTTCYPIWPNJ-UXHICEINSA-N	361.445	2.351	10	10	FECE	
CC(C)(C)N1CCC[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1=O	1338309329	LGYCPVAOBMGWDJ-SFHVURJKSA-N	373.497	2.177	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CCCNC(=O)c2cc(O)c(O)c(O)c2)C1	2132408073	UGHOPWZMOFMSEE-UHFFFAOYSA-N	366.414	2.180	10	10	FECE	
Cn1ccnc1[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1cccc(F)c1	1463888467	MTJJYYFUUBJCQO-GOSISDBHSA-N	355.369	2.419	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1	1626174193	MZQKJTRHNUPSIC-UKRRQHHQSA-N	360.414	2.147	10	10	FECE	
CN1C(=O)COc2ccc(NC(=O)c3ccc(N=NC(N)=O)cc3)cc21	1629680201	ZLLZXCSUXAUJPD-UHFFFAOYSA-N	353.338	2.457	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCc2cnc(Br)cn2)cc1	1636453825	DADHJKVGGIGLEL-UHFFFAOYSA-N	363.175	2.332	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCC(c3nnc4n3CCC4)CC2)cc1	1596545128	GBNBJNUPOMWNKI-UHFFFAOYSA-N	367.413	2.407	10	10	FECE	
CN(C)c1ccc([C@@H](NC(=O)c2ccc(O)c(N)c2)c2nccn2C)cc1	1866094902	IKEOONPYIOQQQT-GOSISDBHSA-N	365.437	2.293	10	10	FECE	
Nc1ccc(CC(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)cc1	1999440779	IHOTUEMQNQBMGG-IMFGXOCKSA-N	365.433	2.337	10	10	FECE	
CO[C@H]1C[C@@H](C(=O)N(C)Cc2ccccc2O)N(C(=O)OC(C)(C)C)C1	794433227	SOLOKVCHRVTSNH-GJZGRUSLSA-N	364.442	2.375	10	10	FECE	
C[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@H]1CNC(=O)OC(C)(C)C	2054398679	BQTICYXBPUGARV-DGCLKSJQSA-N	350.415	2.331	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2060634459	ZUJVKRXSHAAFNO-LRDDRELGSA-N	353.423	2.050	10	10	FECE	
CC(C)(C)OC(=O)N1[C@@H](C(=O)N2CC[C@H](N=[N+]=[N-])C2)COCC1(C)C	2060617630	PESFUNWTXMLGMW-NWDGAFQWSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@]1(C)C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2081170584	OONGMGJWFBHQQA-MLGOLLRUSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(c1cc3c(cc1N)NC(=O)CC3)C2	2106818162	KXEVUMTUSVJMOO-HXPMCKFVSA-N	358.442	2.257	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H](NC(=O)c2ccc(O)c(O)c2)C1	2219127287	QXENRBHBJZLPTN-RYUDHWBXSA-N	354.378	2.175	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C2CC(C(=O)C(=O)C[C@H]3C[C@H](N)C3)C2)C1	2259641460	PHBNFFJIODNJNU-YKFHNHTMSA-N	350.459	2.145	10	10	FECE	
COc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(C(=O)O)cc3)C2=O)c1	2295923730	NMXUZBJHFNVAKJ-UHFFFAOYSA-N	366.329	2.060	10	10	FECE	
Cc1ccc(CN2CC[C@H](NC(=O)C=Cc3ccc(O)c(O)c3)C2=O)cc1	2311686799	FZXBRKYUJIEAQB-KRWDZBQOSA-N	366.417	2.337	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)OC(C)(C)C	2315992882	SQEGYAONSGKTSM-AVGNSLFASA-N	353.423	2.312	10	10	FECE	
COc1ccc(N2C(=O)NC(=O)/C(=C\NCc3ccc(F)cc3)C2=O)cc1	100345474	HWUBYJCITTYBJD-LFIBNONCSA-N	369.352	2.091	10	10	FECE	
C[C@H]1OCCC[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	188494324	YWPCTXKSEKUEIB-CJNGLKHVSA-N	350.434	2.218	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CCCN(c3ncccn3)C2)c1	273407021	OQMSJTNUWFQPKX-DZGCQCFKSA-N	356.426	2.288	10	10	FECE	
CC(C)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(F)(F)F	801326685	DCXAHDRPZSKMSH-UHFFFAOYSA-N	354.350	2.082	10	10	FECE	
COCCO[C@@H]1CCCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1	800872164	QRQPHCPNWWAOHG-PMGBHYCQSA-N	364.398	2.413	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)Cc3cn(C)nc3Cl)C2)cc1	819591994	ZDXMZBXTKZICHJ-ZDUSSCGKSA-N	362.861	2.267	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3CCn4cc(C)nc4C3)C2)cc1	824687751	UWOJTMVZKVSPKS-INIZCTEOSA-N	369.469	2.252	10	10	FECE	
C[C@H]1CC[C@@H](C)CN1C(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	839348107	JFJBVQRUWHFCKA-SJORKVTESA-N	373.497	2.129	10	10	FECE	
CS(=O)(=O)N[C@H]1CCN(Cc2cc3oc4ccccc4c3cc2O)C1	735073301	MJQGXBHECDEKCD-ZDUSSCGKSA-N	360.435	2.415	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@@H](O)[C@@H]3CCCN3C(=O)OC(C)(C)C)ccc21	1892266863	NYTULLNDCJGEHU-KSZLIROESA-N	361.486	2.439	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CC(C)(C)O[C@@H]3COC[C@H]32)c([N+](=O)[O-])c1	845772456	UPVKOIMRKYCPNY-WUWHRIRESA-N	362.382	2.164	10	10	FECE	
CCOC(=O)[C@H](CC1(OC)CCC1)NC(=O)/C=C\c1ccc(O)c(O)c1	846518239	ZPPDEFSPWQIEKG-QPBFKRLHSA-N	363.410	2.118	10	10	FECE	
COc1cccc([C@H](C)Nc2ccc3c(c2)CN(CC(N)=O)CC3)c1O	846169066	XSXPYZARUIYUIE-ZDUSSCGKSA-N	355.438	2.417	10	10	FECE	
O=C(c1ccccc1)c1ccc(O)c(CN2C[C@@H]3C[C@H]2C[S@@]3=O)c1O	844743879	FBKWVIWNTJHQIJ-DZWULXIXSA-N	357.431	2.034	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC[C@H]([C@H]2CCCN2)C1	844220779	BBZNYNBLUXVNER-AZUAARDMSA-N	358.530	2.175	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CCc3c(C)nn(C)c3C)C2)cc1	855229092	KBRASYIEAORXSE-MRXNPFEDSA-N	356.470	2.373	10	10	FECE	
CCN1CC[C@@H](N(CC)C(=O)NCc2ccc(N3CCOCC3)cc2)C1	853473761	BSQLDWALZNLZRI-LJQANCHMSA-N	360.502	2.149	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H](N)c3ccccc3OC)C2)cc1	851639989	OVHNCLZYWLJTCB-IFXJQAMLSA-N	355.438	2.099	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)NCCn3cnccc3=O)c2C)c1	869111713	HWHPJBLABXMMCH-UHFFFAOYSA-N	350.422	2.389	10	10	FECE	
COCc1ccc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)o1	761222732	VCUJYONIKWBILA-UHFFFAOYSA-N	360.410	2.307	10	10	FECE	
COc1cc(C)c(NC(=O)C(=O)NCc2cc(C)ccc2O)cc1OC	862023446	FDTORCWGWQEPOG-UHFFFAOYSA-N	358.394	2.281	10	10	FECE	
CC(C)n1ncc2cc(/C=C\C(=O)NCc3ccccc3O)c(=O)[nH]c21	769358761	AHNONWCHJXKRCL-FPLPWBNLSA-N	352.394	2.341	10	10	FECE	
O=C(c1ccccc1)c1ccc(O)c(CN2CCO[C@]3(CCOC3)C2)c1O	768897704	ANBGEUHDORHYKT-OAQYLSRUSA-N	369.417	2.320	10	10	FECE	
CN1CCC2(CC1)CN(C(=O)c1cc3cc(O)c(O)cc3s1)CCO2	898105894	MZPMKNSROIHVEG-UHFFFAOYSA-N	362.451	2.249	10	10	FECE	
COc1ccc(CNC(=O)NCc2ccnc(OC(F)F)c2)c(O)c1	790936688	UIXDNGCFFXUYQW-UHFFFAOYSA-N	353.325	2.397	10	10	FECE	
CN1C(=O)[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)Cc2ccccc21	1146964503	UQEQCRGBEJOWBT-AWEZNQCLSA-N	351.366	2.167	10	10	FECE	
COc1ccc(N2CCCN(c3nnc(C)n3C[C@@H](C)OC)CC2)cc1	1315515198	HSYOJPOOJKUVBF-OAHLLOKOSA-N	359.474	2.347	10	10	FECE	
CO[C@H]1CN(CCCOc2ccc(N)cc2)C[C@@H]1NC(=O)OC(C)(C)C	2122656614	XQRGNTWYBCENES-IRXDYDNUSA-N	365.474	2.262	10	10	FECE	
CC(=O)N[C@@H](CC(=O)NCc1cc(O)ccc1O)c1ccc(F)cc1F	1176747828	CDHCHUWZQZZNDT-INIZCTEOSA-N	364.348	2.260	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(N(C)C)COc2ccccc2C1	1348213900	VZCZJFXUDLUZHE-QKKBWIMNSA-N	370.449	2.081	10	10	FECE	
C[C@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1ccccc1O	1454812535	ARRHCVSAWCRQMW-NSHDSACASA-N	353.338	2.372	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)C(F)(F)F	1521321514	FPZOILOWBZTINT-JTQLQIEISA-N	363.332	2.277	10	10	FECE	
Cc1ccc(O)c(CNC(=O)c2cc(=O)n(C)cc2Br)c1	1470254409	FXYSUWKXJFMTOB-UHFFFAOYSA-N	351.200	2.092	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ncc(Cl)cn1	1628687497	RALZBXYXNMTPGA-UHFFFAOYSA-N	360.845	2.269	10	10	FECE	
C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)N1c2ccccc2C[C@H]1C	1624282349	BMTYRRSBIOOJOI-CHWSQXEVSA-N	354.406	2.123	10	10	FECE	
O=C(NCc1c(O)cccc1F)c1cnn(CCO)c1-c1ccccc1	1638863319	MDACKTNHPGRFCN-UHFFFAOYSA-N	355.369	2.317	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NCc1cc(O)ccc1O	1644754263	UEDFWKYLKOONLE-UONOGXRCSA-N	350.415	2.407	10	10	FECE	
CC(C)n1ccnc1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	1645592468	ZWJOHAHSCNDIEY-UHFFFAOYSA-N	369.469	2.096	10	10	FECE	
CC[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCN1CCCOC	1656763341	DMEVCURGYNOJFW-JKSUJKDBSA-N	361.446	2.468	10	10	FECE	
CSc1cc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)ccn1	1583475731	MKBYBLNIWMEXQJ-UHFFFAOYSA-N	356.495	2.485	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2O)[C@H](C(=O)O)C1	1962838027	NUXZTTWHCCDDDY-ZDUSSCGKSA-N	354.378	2.037	10	10	FECE	
CN(Cc1ccccc1O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O	1473233408	MLJBUOCKXAGOPT-PKOBYXMFSA-N	356.422	2.206	10	10	FECE	
CN1C(=O)[C@@H](O)c2ccc(N3CC[C@H](N(C)Cc4ccccc4)C3)cc21	2095819830	KMOXIDLMUHLQBU-PXNSSMCTSA-N	351.450	2.407	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@H](F)CN1C(=O)c1cccc(O)c1O	2054409541	DKVGHMUQNXCAKD-WDEREUQCSA-N	354.378	2.175	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)NCC2(CN=[N+]=[N-])CC2)CO1	2060612287	DYLNRBSRGDLUPI-NEPJUHHUSA-N	353.423	2.218	10	10	FECE	
CCCN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)N(C)CCN=[N+]=[N-]	2060610765	LEJJCIDKPFGARC-STQMWFEESA-N	355.439	2.417	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)Nc2ccc(N)cc2)C1	2106292710	UIEZLHRKCKTLIB-SFHVURJKSA-N	364.446	2.416	10	10	FECE	
C[C@@H](CNCc1ccc(O)c(O)c1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1	2230090720	CNUBOPIKZBQNEY-ORAYPTAESA-N	366.458	2.195	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@]2(NCc3cc(F)ccc3O)CO[C@H]1C2	2255113717	QYSMEOIFTOGWGO-YEWWUXTCSA-N	352.406	2.446	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CCO2	2315991869	DOTMSFPKVUBYEN-BLLLJJGKSA-N	353.423	2.171	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(Cl)nc3)CC2)cc1	172528135	AZTCWQNHZLBBSV-UHFFFAOYSA-N	374.828	2.031	10	10	FECE	
Cc1cc(NS(=O)(=O)c2cccc3nsnc23)ccc1OCCO	542986248	OEKJQMQDZATGPP-UHFFFAOYSA-N	365.436	2.172	10	10	FECE	
NC(=O)Cc1occc1C(=O)N1CCN(CC(F)(F)F)c2ccccc21	552068479	YMVDAHWAHQKIRA-UHFFFAOYSA-N	367.327	2.337	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3C[C@@H]4CCC[C@H](C3)N4)C2)cc1	818654977	HHKSPICPISSTFO-YESZJQIVSA-N	358.486	2.057	10	10	FECE	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H](O)C(C)(C)O)cc1	900646392	BLPHHQOMXSDXDV-IBGZPJMESA-N	372.465	2.426	10	10	FECE	
CC(C)n1cc(/C=C2\OCCn3c2nc(Br)c3C=O)nn1	901574814	ILGMMQINNNUQDD-WZUFQYTHSA-N	352.192	2.159	10	10	FECE	
CCCN1C[C@@H](C(=O)NCc2cc(Br)ccc2O)CC1=O	839761725	KGDNBHMUZYTFHC-NSHDSACASA-N	355.232	2.029	10	10	FECE	
CC[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1CCCCO1	848934221	KOCDIPXKDLTLAH-MOPGFXCFSA-N	371.481	2.143	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc4nc(CO)[nH]c4c3)C2)cc1	912293530	ZKBUENZQLGTDML-AWEZNQCLSA-N	366.421	2.073	10	10	FECE	
CNC(=O)[C@@H](CNC(=O)c1ccc(C)c(O)c1O)Cc1ccc(F)cc1C	843937072	LHWJBECKKJXYIE-CQSZACIVSA-N	374.412	2.188	10	10	FECE	
CS(=O)(=O)C[C@H](O)CN[C@H](CCc1ccccc1)c1ccccc1O	927026845	RCPHOYCZRARBDL-SJLPKXTDSA-N	363.479	2.061	10	10	FECE	
O=C(NCc1c(O)cccc1F)NC[C@H]1CC(=O)N(Cc2ccccc2)C1	921681939	ZJZBSOJJTLRZIC-OAHLLOKOSA-N	371.412	2.379	10	10	FECE	
COc1ccc(N2CC[C@H](N3C(=O)[C@@H](c4cccnc4)N(C)C3=O)C2)cc1	924977538	IIQAPZIWZPDDAA-FUHWJXTLSA-N	366.421	2.304	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Nc3ccc(C(N)=O)cc3)C2)cc1	853210325	UXJBYTKFXZBCSV-OAHLLOKOSA-N	354.410	2.195	10	10	FECE	
C[C@H](NC(=O)NCC[S@](=O)CC(F)(F)F)c1ccc(N(C)C)cc1	852260722	ARBXPPFXZOMILV-BUBHHJDNSA-N	365.421	2.424	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CCC(=O)c3ccccn3)C2)cc1	855227983	SPWKKHRYRLSIGH-HNNXBMFYSA-N	353.422	2.448	10	10	FECE	
COCCNC(=O)[C@H]1CC[C@H](C)N(Cc2cc(C)cc(OC)c2O)C1	754723367	QZHVVRXSBFZMLQ-GJZGRUSLSA-N	350.459	2.072	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)[C@@H]1CC(=O)N(C2CCCC2)C1	862029189	UOLSSFQXEJSUGS-OAHLLOKOSA-N	353.422	2.348	10	10	FECE	
C[C@@H]1CC=CC[C@H]1NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	934625480	LNRKBGFJMOTREI-CRAIPNDOSA-N	361.461	2.223	10	10	FECE	
C[C@H](NC(=O)NCc1ccc(N2CCN(C)CC2)nc1)c1ccccc1O	868020985	UJBRBKRHNUCBCH-HNNXBMFYSA-N	369.469	2.099	10	10	FECE	
COc1ccnc(OC)c1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	865019403	SLOKFECNOFXMQD-CQSZACIVSA-N	371.437	2.426	10	10	FECE	
CN1CCN(c2ccc(CN3CCC(CO[C@@H]4CCNC4)CC3)cc2)CC1	863651945	LVNVORNTGFYOEF-JOCHJYFZSA-N	372.557	2.029	10	10	FECE	
Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)o1	773289386	AQKXVVYVUFTHDH-AWEZNQCLSA-N	350.440	2.464	10	10	FECE	
CN1CCN(Cc2ccc(C(=O)NCc3ccc(N(C)C)cc3)s2)CC1	1135825449	UMUUIFJSWAKQJZ-UHFFFAOYSA-N	372.538	2.492	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCOC(C)(C)C	1138053953	RPGHXSKFUNTANV-AWEZNQCLSA-N	367.442	2.284	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1cccn2ncc(Br)c12	1156885307	CRNTZMRFWGKTLH-UHFFFAOYSA-N	362.183	2.438	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2124539865	ABOUVMKCAWVSBI-AHIWAGSCSA-N	365.434	2.171	10	10	FECE	
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NCc1c(O)cccc1F	1178413918	ZUIJRBXYGPTJNQ-LBPRGKRZSA-N	356.419	2.458	10	10	FECE	
C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO)c1c(O)cccc1O	2116264420	FEYMWKAHHKXBPN-MELADBBJSA-N	366.458	2.366	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@](C)(O)c3ccc(F)cc3)CC2)cc1	1445749736	XPLYLNPDIPNKJU-HXUWFJFHSA-N	358.413	2.391	10	10	FECE	
CCc1nnc(N2CCOC[C@H]2C)n1Cc1ccc2c(c1)CCCN2C	1709163644	GQWQYOLZJKVGSJ-OAHLLOKOSA-N	355.486	2.496	10	10	FECE	
Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1CCn1cncn1	1492780872	DYOMLCDLUHBJTL-UHFFFAOYSA-N	366.473	2.115	10	10	FECE	
CC[C@](C)(O)Cn1c(C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1	1494774290	VEZFZKTZTVSRSW-FQEVSTJZSA-N	373.501	2.221	10	10	FECE	
O=C(c1c(F)ccc(O)c1O)N1CCn2c(Cc3ccccc3)nnc2C1	1650808210	VAAUDZLRMIEDTD-UHFFFAOYSA-N	368.368	2.075	10	10	FECE	
COC(=O)CN(CCCCCNC(C)=O)Cc1cc(Cl)ccc1O	1653614493	NNPAKBODGBFWMJ-UHFFFAOYSA-N	356.850	2.327	10	10	FECE	
CN1CCc2cc([C@@H](CN)N3CCN(C(=O)OC(C)(C)C)CC3)ccc21	1880612484	BJGOQIPCFSKEIB-GOSISDBHSA-N	360.502	2.231	10	10	FECE	
C[C@@H](O)c1ccc(N2C[C@@H]3CCS(=O)(=O)[C@H]3C2)cc1Br	2145047616	GJQNPQORTDYJFF-BFVZDQMLSA-N	360.273	2.126	10	10	FECE	
Cc1cc(NS(=O)(=O)c2c(Br)cnn2C)c(C)cc1O	2145973540	LHUJMDPWDCBBIN-UHFFFAOYSA-N	360.233	2.306	10	10	FECE	
CN1C(=O)[C@@H](N)c2ccc(N3CCCN(Cc4ccccc4)CC3)cc21	324012554	LNNZBLCLXIKJFI-FQEVSTJZSA-N	350.466	2.375	10	10	FECE	
CC(C)(C)OC(=O)N1CC(c2nc(=N[C@@H]3CCc4cccc(O)c43)[nH][nH]2)C1	2184131058	KUPALSAYMANSRE-CYBMUJFWSA-N	371.441	2.366	10	10	FECE	
COc1cccc(O)c1CN[C@@H]1COC[C@@H]1CNC(=O)OC(C)(C)C	2042568417	GHWAGLHKXZLEOI-GXTWGEPZSA-N	352.431	2.030	10	10	FECE	
CN(CC(C)(C)NC(=O)OC(C)(C)C)S(=O)(=O)Cc1ccc(N)cc1	2044603743	ZKFWWJUKAVIFOC-UHFFFAOYSA-N	371.503	2.334	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2060621772	RIDDPGJBMJUWMV-XQQFMLRXSA-N	353.423	2.360	10	10	FECE	
C[C@@H]1CCN(C(=O)CCc2ccc(N)cc2)C[C@@H]1NC(=O)C(F)(F)F	2106700932	IJTMBTPUMYSAEN-RISCZKNCSA-N	357.376	2.117	10	10	FECE	
CN1CCCc2cc([C@H](N)[C@@H](O)C3CN(C(=O)OC(C)(C)C)C3)ccc21	2106941641	AVJUYODDPWURLR-ROUUACIJSA-N	361.486	2.297	10	10	FECE	
CSc1ncc(CNS(=O)(=O)c2ccsc2C(=O)O)s1	2284499152	OAYCEWQWZNNARK-UHFFFAOYSA-N	350.468	2.103	10	10	FECE	
CN1CCc2cc([C@H](N)C3CN(C4CN(C(=O)OC(C)(C)C)C4)C3)ccc21	2284482071	QPWBFEKLADWSCF-IBGZPJMESA-N	372.513	2.230	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(C)(C)C	2315987323	QTILMWGHSMSTGU-RYUDHWBXSA-N	357.455	2.446	10	10	FECE	
CN(CC(=O)Nc1ccc(N)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F	2343613421	MUWLKWQHUWMEIB-LSDHHAIUSA-N	366.437	2.097	10	10	FECE	
Cc1ccc(CNS(=O)(=O)CC(F)(F)F)c(O)c1Br	2352624946	MKGNXXZXORLELS-UHFFFAOYSA-N	362.167	2.445	10	10	FECE	
C[C@@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)CN1CCCC1	108780068	HLCDGHQBORJQCM-YOCVDRLZSA-N	357.498	2.385	10	10	FECE	
COc1ccc(O)c([C@@H](C)Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])c1	301214324	WVCSHDZVEPQICN-SNVBAGLBSA-N	356.338	2.490	10	10	FECE	
C[C@H](NC[C@@]1(CCO)CCOC1)c1ccc(N2CCOCC2)c(F)c1	125812986	VJHJGECFOZVZPA-HNAYVOBHSA-N	352.450	2.102	10	10	FECE	
C[C@H](NC[C@@H](C)CN1CCN(C)CC1)c1ccc(N2CCC(O)CC2)cc1	120801356	OMLGRDPVWUMDHR-MOPGFXCFSA-N	374.573	2.182	10	10	FECE	
CC(C)N1C[C@H](C)[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1	132411702	CIMCPRVGQJMAOL-PXNSSMCTSA-N	374.529	2.393	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCC(=O)N(C)C3)c2C)cc1	131054529	MSDOMCXBDATWJB-HNNXBMFYSA-N	355.438	2.453	10	10	FECE	
CCCC(=O)NCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	134261075	PRWKUOAIGBYVSN-HNNXBMFYSA-N	367.877	2.043	10	10	FECE	
CCn1nc2c(cc1=O)CN(Cc1cc(Br)ccc1O)CC2	371326602	JKQURNFHSWLPTR-UHFFFAOYSA-N	364.243	2.290	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)c1cc2n(n1)CCCO2	804737292	NPLSHDLOHQNLLC-UHFFFAOYSA-N	352.188	2.064	10	10	FECE	
CCO[C@@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)[C@@H]1n1cccn1	815167365	ZRBOTALTKOACJF-AQNXPRMDSA-N	356.470	2.228	10	10	FECE	
O=S1(=O)CCN(Cc2cc(Br)ccc2O)[C@@H]2CCC[C@H]21	825201801	NYDGLQKKIJCESW-TZMCWYRMSA-N	360.273	2.306	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H](c1cccs1)N1CCOCC1	588403296	CXSCVPJPDWNYIL-VOKGJARPSA-N	374.462	2.362	10	10	FECE	
CN1CCN(c2ccc(CN[C@@H]3CCCN4CCSC[C@H]34)cc2)CC1	922522725	GACRTJBVAHBOMG-WOJBJXKFSA-N	360.571	2.108	10	10	FECE	
Cc1cc(C(=O)CN2CC[C@@H]3CNC[C@@H]32)c(C)n1-c1ccc2c(c1)OCO2	842473154	RJLHJUAXGJCWJG-QAPCUYQASA-N	367.449	2.299	10	10	FECE	
CCO[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	851989802	LQLZVIJRDBHUFN-SHTZXODSSA-N	351.422	2.029	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCc4ccnc(O)c4C3)C2)cc1	852451955	RNLHDBILSKAEDF-HNNXBMFYSA-N	368.437	2.142	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cc(C)nc4cc(C)nn34)C2)cc1	853817729	LNFHMGXTOFVEGI-OAHLLOKOSA-N	365.437	2.363	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)O1	868117033	OTWLPDHLLJXFNT-XJKCOSOUSA-N	351.422	2.027	10	10	FECE	
CO[C@H]1CC[C@H](C)N(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	868117325	RXPCSLKCSRBRSE-HOCLYGCPSA-N	365.449	2.371	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCCn2nccc21	868117775	YNVVITKWAZKHSX-INIZCTEOSA-N	373.432	2.193	10	10	FECE	
CC(=O)N1CCc2cc(NC(=O)C(=O)N[C@@H](C)c3ccccc3O)ccc21	874192797	WAKHLFYSBWZTGL-LBPRGKRZSA-N	367.405	2.117	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C[C@@H](O)COc1ccc2c(c1)OCO2	774752684	KFCVTKIYDZNWPM-OAHLLOKOSA-N	372.421	2.120	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(O)nc1C	1137816231	DZJXGEGZTMIZIJ-UHFFFAOYSA-N	364.785	2.270	10	10	FECE	
CC1(C)CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CCS1(=O)=O	897590929	QWWDJIHNLUAEAY-UHFFFAOYSA-N	369.464	2.352	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1c(Cl)cnn1C	797442024	ZLUNVARIRWMUPM-UHFFFAOYSA-N	356.879	2.350	10	10	FECE	
Cc1ccc(O)c(CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1	1167290634	IMUCGJPYKQDHLR-UHFFFAOYSA-N	353.338	2.120	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12CN(Cc3cc(N)ccc3O)C[C@H]1CCO2	2118568089	KADARRFEWKFWID-KUHUBIRLSA-N	363.458	2.090	10	10	FECE	
CN1CCN(c2ccc(CN3C[C@H]4CC[C@H]3[C@H]3CNC[C@H]43)cc2F)CC1	1331980324	GZOUJGBDIQPNQH-XSYGEPLQSA-N	358.505	2.007	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)NC[C@H](O)c3cnc[nH]3)c2C)cc1	1347290933	HVBQLMXOEHLTQW-SFHVURJKSA-N	354.410	2.289	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CCN2C(=O)COc2ccc(N)cc2)C1	2132363191	JGOVODOBWWMQIY-CZUORRHYSA-N	361.442	2.115	10	10	FECE	
OC1CCN(c2ccc(CN3C[C@@H](O)CC4(CCOCC4)C3)cc2)CC1	1353603942	CKDFKNXNMQDOAA-FQEVSTJZSA-N	360.498	2.011	10	10	FECE	
Cc1ccc(C(=O)N(C)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(O)c1O	1529304341	JKERJZZJTYMCJB-WDNDVIMCSA-N	362.426	2.344	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3ccc4c(c3)CCN4C)cc2)CC1	1636779840	UGQNOFYCAKOPAP-UHFFFAOYSA-N	364.493	2.361	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@H]1CCC(=O)N(c2cccc(F)c2)C1	1645363016	JGLDKBCKFPJQFJ-LBPRGKRZSA-N	358.369	2.296	10	10	FECE	
COC(=O)c1cc(C(=O)CN2CCOc3cc(N(C)C)ccc32)c(C)[nH]1	1645147953	OBONMSOQRFCQOH-UHFFFAOYSA-N	357.410	2.257	10	10	FECE	
CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)CC2	158087826	BYDRIIFYFIRZBZ-AWEZNQCLSA-N	374.464	2.421	10	10	FECE	
CCN1CCN([C@H](C)CN[C@H](C)c2ccc(N3CCOCC3)cc2)CC1	155554077	WUYOCRCSXCKAPF-RTBURBONSA-N	360.546	2.200	10	10	FECE	
COC(=O)c1ccccc1N1C[C@H](C(=O)Nc2ccc(N)cc2)CC1=O	1865923634	UHGAMDMYHCXQAO-GFCCVEGCSA-N	353.378	2.047	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(n2ccc(C(=O)NCCN=[N+]=[N-])n2)CC1	1965101894	IVYINTWQDCZJTE-UHFFFAOYSA-N	363.422	2.495	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1	830141490	VJVLXVIMXYBOCO-IBGZPJMESA-N	364.442	2.113	10	10	FECE	
COc1ccc([C@H](C2CC2)n2nc(C(F)(F)F)c(C(N)=O)c2N)c(O)c1	2079852904	BKQHRRIDJPGPIU-LBPRGKRZSA-N	370.331	2.297	10	10	FECE	
CC(C)(C)OC(=O)NCC1(F)CC(NCc2ccc(O)c(O)c2O)C1	2042927284	JANQKXVFFIDCSH-UHFFFAOYSA-N	356.394	2.288	10	10	FECE	
C[C@H](CN(C)CC(=O)N(C)c1ccc(N)cc1)NC(=O)OC(C)(C)C	2044598567	TVRACRRJRCRSAM-CYBMUJFWSA-N	350.463	2.077	10	10	FECE	
CO[C@@]1(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CCN(C(=O)OC(C)(C)C)C1	2060616494	BCVWGMOETOHCCC-LRDDRELGSA-N	353.423	2.171	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060634183	WOOCIJDLODDCFY-YNEHKIRRSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)COC1	2067763694	IAMMWGQHCOGGAG-LBPRGKRZSA-N	353.423	2.219	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)Nc1ccc(N)cc1	2106287247	YEWYVEKZCCOBEU-LSDHHAIUSA-N	364.446	2.415	10	10	FECE	
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccn(-c2ccc(N)cc2)n1	2106237853	UMUMYYJZEFALST-LBPRGKRZSA-N	359.430	2.098	10	10	FECE	
NC(=O)CCN(CCCC(=O)Nc1ccc(N)cc1)Cc1ccccc1	2095887535	ROPUYRPCFQHYKD-UHFFFAOYSA-N	354.454	2.365	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])CO1	2218739901	HITGUMZWTYGBAO-VOAKCMCISA-N	353.423	2.358	10	10	FECE	
CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-]	2218744688	ZRMIZPCVYGMWNA-XQQFMLRXSA-N	354.455	2.179	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NC(=O)CCOc2ccc(N)cc2)C1	2230683666	MZQZWMVEVBRBQR-ORAYPTAESA-N	361.442	2.163	10	10	FECE	
CSc1ncc(CNC(=O)[C@]2(N)CCN(Cc3ccccc3)C2)s1	2248602281	OZXZYOMWLYIFPS-KRWDZBQOSA-N	362.524	2.085	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O	2311682142	WAJKSBWJEMIVBF-INIZCTEOSA-N	370.380	2.167	10	10	FECE	
COc1ccc(C=C2SC(=S)N(CCC(=O)O)C2=O)cc1[N+](=O)[O-]	2314767944	JEQSIHGDNKANEM-UHFFFAOYSA-N	368.392	2.279	10	10	FECE	
CO[C@H]1[C@H]([C@H](N)c2ccccc2O)N(C(=O)OC(C)(C)C)C[C@H]1OC	2311981071	BYFJWRDQVDSBSJ-LVQVYYBASA-N	352.431	2.041	10	10	FECE	
CS(=O)(=O)c1ccc2c(c1)SC1=NC(=O)/C(=C\c3ccc[nH]3)C(=N)N12	102606590	NNONBCSMAKFAMX-HGWDMYKUSA-N	372.431	2.287	10	10	FECE	
CN1CCCc2cc(CNC(=O)c3cc(S(C)(=O)=O)cs3)ccc21	119761439	RYBSMEIQXLAZLW-UHFFFAOYSA-N	364.492	2.464	10	10	FECE	
C[C@@H](N)c1ccc(N2CCN(CC(C)(C)O)CC2)c(Br)c1	71380980	CGBDHOHTOAOBGZ-GFCCVEGCSA-N	356.308	2.362	10	10	FECE	
COc1ccc(/C=C2/C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1	34138270	XWBVPUALAREODW-GZTJUZNOSA-N	371.418	2.149	10	10	FECE	
CCNC(=O)N1CC[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1	268540753	MKONXJJWMTUOSH-MRXNPFEDSA-N	373.501	2.230	10	10	FECE	
COc1cc(Br)cc(CN[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1O	361392592	WWSRHSDOVGAFCZ-ZWKOPEQDSA-N	369.259	2.262	10	10	FECE	
COc1cc(O)c(CN(C)C2CCN(c3cnccn3)CC2)cc1OC	369492064	GYWPFMOFPBFRMD-UHFFFAOYSA-N	358.442	2.300	10	10	FECE	
COc1ccc(CNC(=O)NC/C=C\CNC(=O)OC(C)(C)C)c(O)c1	812466186	IADBQPYNKXKFRE-WAYWQWQTSA-N	365.430	2.281	10	10	FECE	
CCn1nnc(C)c1CNCc1ccc(N2CCN(CC3CC3)CC2)cc1	824037671	WWUQQZIBZZBWAF-UHFFFAOYSA-N	368.529	2.428	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CC[C@]2(CCCOC2)C1	823518752	BENATCAYRHERNA-OAQYLSRUSA-N	373.497	2.360	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3CNCc4ccccc43)CC2)cc1	825720549	CREALWJRMFSGTD-FQEVSTJZSA-N	351.450	2.231	10	10	FECE	
CN(C)S(=O)(=O)c1ccc2c(c1)N(Cc1cccc3c1CCNC3)CC2	662254946	MYVQELPCMSAZHK-UHFFFAOYSA-N	371.506	2.145	10	10	FECE	
Cc1cc(CCNC(=O)NCc2ccc(N3CCSCC3)cc2)nn1C	914200375	HHEXGQBFWXGJNT-UHFFFAOYSA-N	373.526	2.324	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cc3cn4c(n3)CCCC4)CC2)cc1	845077173	DHQYKAYMWWFSMT-UHFFFAOYSA-N	354.454	2.119	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)NCCc2c(C)nn(C)c2C)cc1	844890039	SRTYUGRNGUIHND-UHFFFAOYSA-N	373.501	2.366	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)Cc3ccccc3)C2)cc1	852451534	MVEHROFXJCPWQY-ROUUACIJSA-N	369.465	2.177	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@@H](CCO)CC3)C2)cc1	854296609	FCQBBEHITLJTPG-IAGOWNOFSA-N	361.486	2.468	10	10	FECE	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc3c(c2)N(C)CC3)c1	751317886	ILUBXJLEUHLIJX-GFCCVEGCSA-N	362.451	2.433	10	10	FECE	
Cc1cnn(C)c1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1	850422795	CVCURFODOGXBKY-UHFFFAOYSA-N	355.442	2.473	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H]4CN(C)CC[C@@H]43)C2)cc1	854298921	KESXZKKIWBOPTG-UWVAXJGDSA-N	372.513	2.400	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H](CCC(C)C)NC(C)=O)C2)cc1	855225838	QUPFFLDPJBLGRP-LPHOPBHVSA-N	361.486	2.331	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc(-n4ccnc4)nc3)C2)cc1	855232807	UTWYKUDRFZCQHO-MRXNPFEDSA-N	363.421	2.285	10	10	FECE	
COC[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C1CCOCC1	852137965	CCVPGWOYOJCPSY-IBGZPJMESA-N	359.470	2.304	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3c(N)cccc3[N+](=O)[O-])C2)cc1	855225435	IXTIOAFUUXCEQR-GFCCVEGCSA-N	356.382	2.194	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@]3(O)CCc4ccccc4C3)C2)cc1	855225411	MVBYJFXTHGSXLS-PGRDOPGGSA-N	366.461	2.310	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)CC3CSC3)CC2)cc1	864617905	TZTWXJHZKGLNCB-UHFFFAOYSA-N	363.527	2.077	10	10	FECE	
COC(=O)C(C)(C)N1CCN(Cc2cc(Br)ccc2O)CC1	779190841	MNGQVEUSKBNLGE-UHFFFAOYSA-N	371.275	2.224	10	10	FECE	
Cc1ccsc1[C@H](CO)NCC(=O)N(C)Cc1ccc(N(C)C)cc1	778157866	FHFXJZKUBMJJDI-KRWDZBQOSA-N	361.511	2.404	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1ncn(Cc2cccc(F)c2)n1	781812386	KBYSHAVQCGEWSD-FNORWQNLSA-N	368.368	2.206	10	10	FECE	
Brc1cnc(CNCc2ccc(N3CCOCC3)cc2)cn1	895408814	JSJFHGUFPMIZTC-UHFFFAOYSA-N	363.259	2.366	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N2C[C@H](OC)[C@H](OC)C2)CCCC1	1156598071	FYZYRQUODGDWQY-BGYRXZFFSA-N	372.465	2.401	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@H](O)c2cnc[nH]2)c1	1303584067	PKGZJVASZYUOEP-SFHVURJKSA-N	352.394	2.093	10	10	FECE	
CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC(=O)NCCN=[N+]=[N-])cc1	2124512060	JADYBWWGFKARCB-UHFFFAOYSA-N	362.390	2.190	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCCN(C2CC2)C1=O	1334143073	OUIHEZMTNQAVOX-SFHVURJKSA-N	373.522	2.257	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C)C1	1333414128	NLWKJEZUKSRVPO-UZLBHIALSA-N	360.454	2.016	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)COc3ccc(N)cc3)[C@H]2C1	2132363188	JGOVODOBWWMQIY-BBRMVZONSA-N	361.442	2.115	10	10	FECE	
O=C(NCc1cccc(O)c1O)c1cc(F)c(N2CCOCC2)c(F)c1	1350299998	MOJFUSMSPJPYJM-UHFFFAOYSA-N	364.348	2.143	10	10	FECE	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1nnc(O)nc1O	1295594983	NFEIEOHJCWSCEI-GFCCVEGCSA-N	366.377	2.392	10	10	FECE	
CN(C)C1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCCC1	1293929396	WGDHNCSVKXYBAC-UHFFFAOYSA-N	359.514	2.386	10	10	FECE	
CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)Cc1ccc(O)c(O)c1	1464000887	ZTVGRVJEBFRLNK-UHFFFAOYSA-N	354.406	2.191	10	10	FECE	
CCOC(=O)[C@]1(NC(=O)Cc2ccc(O)c(O)c2)CCc2ccccc21	1465238975	XLBNPTWCQYORFV-FQEVSTJZSA-N	355.390	2.161	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-n2ccnc2)ccc1O	1611430652	FIYUMNFAXFHBMS-GFCCVEGCSA-N	353.378	2.350	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(CC2CC2)n1Cc1ccn(C)n1	1617941432	QMIKRPJHEPMEDD-UHFFFAOYSA-N	352.442	2.354	10	10	FECE	
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(O)ccc1O	1637130177	WQXMUDDGWAKRBJ-CYBMUJFWSA-N	370.471	2.360	10	10	FECE	
COc1ccc(CNC(=O)CCn2sc3ccccc3c2=O)c(O)c1	1633927480	WUSKYEYEGOKIBZ-UHFFFAOYSA-N	358.419	2.484	10	10	FECE	
CO[C@@](C)(CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1	1564823241	ZDMAGLKPSBSJEJ-QUCCMNQESA-N	362.518	2.470	10	10	FECE	
COc1ccc(N2CCCN([C@H](C)c3nc(-c4nc[nH]n4)no3)CC2)cc1	1641555076	YONWMQLYUTYAQO-CYBMUJFWSA-N	369.429	2.137	10	10	FECE	
COCCc1nnc(-c2cccc(C(=O)NCc3ccc(O)cc3O)c2)o1	1570462416	SDPIVQLJZVHTCX-UHFFFAOYSA-N	369.377	2.267	10	10	FECE	
C[C@H](NCc1nnc2n(C)c(=O)c3sccc3n12)c1ccccc1O	1655349117	DGGYVNMEHPKDQX-JTQLQIEISA-N	355.423	2.199	10	10	FECE	
Cc1cc(C(F)(F)F)n2nc(C(=O)NCc3ccc(O)c(O)c3)cc2n1	1595596591	ZNMWSWKGDDJTFW-UHFFFAOYSA-N	366.299	2.398	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(C=O)n(C)c1	1597573160	VGEAAMJJWNNCER-UHFFFAOYSA-N	364.785	2.012	10	10	FECE	
Cn1c(=O)oc2c(C(=O)Nc3cccc(N4CCOCC4)c3)cccc21	160592844	FXNQOUDINVWAQH-UHFFFAOYSA-N	353.378	2.220	10	10	FECE	
CC(C)(C)OC(=O)N1CC(c2nc(=N[C@H]3CCc4cccc(O)c43)[nH][nH]2)C1	2184131059	KUPALSAYMANSRE-ZDUSSCGKSA-N	371.441	2.366	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(CNCc2cccc(F)c2O)C1	2081460818	UPAFHSWCIVKHRE-SFHVURJKSA-N	354.422	2.383	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-]	2218746538	QKXSWVBCGWSQIP-OVZMXSCWSA-N	353.423	2.264	10	10	FECE	
O=S(=O)(CCNCc1ccc(Br)cc1O)C(F)(F)F	2224286840	HYXNBVSDHSRIDE-UHFFFAOYSA-N	362.167	2.179	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ccc4c(c3)COCC4)C[C@@H]2[C@@H]1CO	2235546203	HGKNNRPZYPYLBI-WDSOQIARSA-N	374.481	2.423	10	10	FECE	
CC(C)(C)OC(=O)N1CC(O)(C(F)(F)CNCc2ccccc2O)C1	2260085011	CPGATFNWOLOZMZ-UHFFFAOYSA-N	358.385	2.099	10	10	FECE	
O=C(O)CN1C(=O)C(=CC=Cc2ccccc2[N+](=O)[O-])SC1=S	2293311814	FBDQKRAWGRTSAE-UHFFFAOYSA-N	350.377	2.437	10	10	FECE	
C[C@H](c1cnn(C)c1)N(C)C(=O)C=Cc1ccc(N2CCOCC2)cc1	2307369657	XXLFGKFPJANPAC-MRXNPFEDSA-N	354.454	2.490	10	10	FECE	
Nc1ccc(CCC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1	66153404	SPRKTTIPMDUJAA-UHFFFAOYSA-N	353.422	2.313	10	10	FECE	
N=C1/C(=C\c2ccc(O)cc2)C(=O)N=C2SC(N3CCCCC3)=NN12	20356451	LJJGIZYSBYAPCP-RBOLIFNISA-N	355.423	2.455	10	10	FECE	
COc1ccc([C@H](C)NC(=O)C(=O)N(C(C)=O)c2ccc(N)cc2)cc1	170318252	MKHQIBJFPQVNQO-LBPRGKRZSA-N	355.394	2.034	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1OCCN(C)C	183467047	NGTJZDHPOYLFGI-AWEZNQCLSA-N	358.438	2.399	10	10	FECE	
Cc1cc(S(=O)(=O)NCCc2ccc(N)cc2)cc([N+](=O)[O-])c1F	193337243	KZRGOJDWKVYCFA-UHFFFAOYSA-N	353.375	2.146	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)NCCC(C)C)CC2)cc1	243162559	JQERSOGGGRNDIQ-RTBURBONSA-N	373.497	2.142	10	10	FECE	
CN(C)c1ccc(CN(C(=O)NCCCN2CCOC2=O)C2CC2)cc1	264035827	OULXIKDSHPVQNR-UHFFFAOYSA-N	360.458	2.269	10	10	FECE	
Cc1cccnc1CCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1	296198699	DHPVSVCEZKPSES-UHFFFAOYSA-N	372.444	2.408	10	10	FECE	
OC[C@]1(CNCc2ccc(N3CCOCC3)cc2)CCc2ccccc21	846012329	YDDMRYKNJROSEW-JOCHJYFZSA-N	352.478	2.489	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N3CCO[C@@H]([C@@H](C)O)C3)cc2)CC1	840290977	BRQHKVHTIGKSQA-VQIMIIECSA-N	361.486	2.214	10	10	FECE	
CN1CCN(c2ccc(CN3CCc4ccccc4[C@@H]3CN)cc2)CC1	843129248	OLGSJQSDMFJLHP-QFIPXVFZSA-N	350.510	2.497	10	10	FECE	
CCN1CCCC[C@H]1CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	852088851	HUOZASAGQSAOLN-AEFFLSMTSA-N	360.502	2.448	10	10	FECE	
COC1(CS(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCC1	866827870	CAQIJTYYRMEUSI-INIZCTEOSA-N	369.483	2.272	10	10	FECE	
CNC(=O)[C@H]1CCN(C(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)C1	862017148	ZXCMRLFLWFKGLE-KRWDZBQOSA-N	367.449	2.044	10	10	FECE	
CC[S@](C)(=O)=NS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	866560922	YCXGNYVICJLQPO-QFIPXVFZSA-N	361.533	2.326	10	10	FECE	
Nc1ccc(CCNC(=O)C(=O)N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]32)cc1	1118866295	DZFUZVRQGLCRRO-OKZBNKHCSA-N	369.852	2.035	10	10	FECE	
COc1ccc(N2CCN(S(=O)(=O)c3nc(C)c(C)s3)CC2)cc1	771933996	QGHCUKGJDOOLIW-UHFFFAOYSA-N	367.496	2.279	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)N[C@@H]3C[C@H]3C3CCOCC3)cc2)CC1	883805211	AQSHVTCYLCPXDO-VQTJNVASSA-N	372.513	2.053	10	10	FECE	
O=C1C[C@@]2(CCN(Cc3c(O)ccc(C(=O)c4ccccc4)c3O)C2)CN1	788383874	NZAFIWNDTLASKL-NRFANRHFSA-N	366.417	2.041	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCN(C(C)(C)C)C3=O)C2)cc1	898580176	DEPUEDLCKYEPTM-MAUKXSAKSA-N	373.497	2.427	10	10	FECE	
COc1cccc(CNS(=O)(=O)c2cnccc2C(F)(F)F)c1O	785496596	XZROFHQPVWGGNR-UHFFFAOYSA-N	362.329	2.293	10	10	FECE	
COc1ccc(O)c(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c1	2116275174	TXCRZTGJOGFIKA-HOCLYGCPSA-N	366.458	2.108	10	10	FECE	
CC(C)CN1CCO[C@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1	1334735065	PJFXYYYCOVIBDR-CYBMUJFWSA-N	364.467	2.399	10	10	FECE	
CN1CCN(c2ccc(CN3C[C@H]4CC[C@H]3[C@@H]3CNC[C@@H]43)cc2F)CC1	1331980322	GZOUJGBDIQPNQH-RMJJICAUSA-N	358.505	2.007	10	10	FECE	
Cc1cn2nc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc2c(=O)[nH]1	1350873041	NRBPKOZATDFXSJ-UHFFFAOYSA-N	365.437	2.202	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)NCc2cc(O)ccc2O)C1	1644754204	RMLNFSUQBAWASZ-SFHVURJKSA-N	350.415	2.361	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@H]1CC(=O)N(c2ccccc2Cl)C1	1647178171	KZJWGYXVXUYZTQ-NSHDSACASA-N	360.797	2.421	10	10	FECE	
C[C@H](NC(=O)c1ccc(F)c(NS(C)(=O)=O)c1)c1ccccc1O	1643742047	MBXBHKQYIUSCLP-JTQLQIEISA-N	352.387	2.394	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)c2ncc(Br)cn2)c1	1595806135	ACQBNXWKWQMJHJ-QMMMGPOBSA-N	352.188	2.444	10	10	FECE	
COc1ccc(CNCc2c(I)cnn2C)c(O)c1	865868706	VLUIAWYYCTVIDY-UHFFFAOYSA-N	373.194	2.029	10	10	FECE	
NC(=O)[C@@](CSc1nccs1)(NC1CC1)C1(Br)CC1	2141675017	TTWPGHPXXGBOLE-GFCCVEGCSA-N	362.318	2.139	10	10	FECE	
COc1ccc(N2CCN(CCNCc3cnn(C)c3C3CC3)CC2)cc1	892702924	DUEAMFXYUYJAMA-UHFFFAOYSA-N	369.513	2.218	10	10	FECE	
CNCc1ccc(N(C)[C@H](C)CCS(C)(=O)=O)cc1Br	2160769323	ZYOMHMXAJHFLEI-LLVKDONJSA-N	363.321	2.428	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](Nc2c(N)cccc2C(N)=O)[C@H](F)C1	2046520071	FOKUGVOKFLLOPU-YPMHNXCESA-N	352.410	2.127	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@H]1c1nc(C(=O)NCCN=[N+]=[N-])no1	2060620112	WLVHWFJMNOGFGM-SECBINFHSA-N	351.367	2.182	10	10	FECE	
CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCCCCN=[N+]=[N-]	2063954442	CADNACUKMWALAA-QWHCGFSZSA-N	355.439	2.465	10	10	FECE	
C[C@H](CF)NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2080889925	XDQCYHIKJSAJRF-PWSUYJOCSA-N	356.394	2.008	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@@]2(C(=O)NCCCCN=[N+]=[N-])C1	2264328751	UCDKCRIPVQLRCH-BLLLJJGKSA-N	353.423	2.219	10	10	FECE	
CC(C)(C)OC(=O)N(CCCO)CCC(=O)N1CCC[C@H]1CN=[N+]=[N-]	2319825206	UMMRBBMHDMPJNP-ZDUSSCGKSA-N	355.439	2.297	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CC(=O)N2CCC[C@H](CN=[N+]=[N-])C2)C1	2331230536	RVNAXRADPOCDQT-MGPQQGTHSA-N	367.450	2.153	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)C[C@@H]2OCCC[C@@H]21	2334723072	KZBWWSNNNRQPJW-XREXNNHRSA-N	365.434	2.360	10	10	FECE	
Cc1ccc(N2C(=O)N=C(O)/C(=C/NCCCN(C)C)C2=O)cc1Cl	102550459	WUIBJXVPMYTZNX-RAXLEYEMSA-N	364.833	2.497	10	10	FECE	
Cc1cc(N2C(=O)NC(=O)/C(=C\NC(C)C)C2=O)ccc1Br	109440548	WGSLVLOMYTUXLA-YRNVUSSQSA-N	366.215	2.222	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@@H](Cn2cccn2)C1	171901754	BHHSESSQHDMZOM-LJQANCHMSA-N	369.469	2.094	10	10	FECE	
CNc1cc(N2CCC[C@H]2CNC(=O)N(C)Cc2ccccc2O)ncn1	173422709	KNWOYMMALPFWIA-HNNXBMFYSA-N	370.457	2.034	10	10	FECE	
CCN1CCC[C@@H](NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)C1	126819793	WLHSRRHLJJEVRY-OAHLLOKOSA-N	364.465	2.150	10	10	FECE	
Cc1cc(C(=O)N2CCC[C@H](c3nn[nH]n3)C2)c(C)n1-c1ccccn1	132695128	SAAYEOOQUQPLPK-AWEZNQCLSA-N	351.414	2.022	10	10	FECE	
COc1ccc(N2CCN(c3ccc(C(=O)NC4CC4)nc3)CC2)cc1	243884984	ROGLDUJGHCVSFG-UHFFFAOYSA-N	352.438	2.309	10	10	FECE	
CCN(CC(=O)O)C1CC(NC(=O)c2cc(C)n(-c3ccccn3)c2C)C1	262704677	JCYBYAXOJYHISK-UHFFFAOYSA-N	370.453	2.156	10	10	FECE	
COc1cccc(CNC(=O)[C@H]2CSCN2C(=O)C2CCCC2)c1O	269169719	HGKHPIUDFXLLHM-CQSZACIVSA-N	364.467	2.109	10	10	FECE	
CC[C@H](C)NC(=O)CCNC(=O)NCc1cc(Br)ccc1O	804972199	CBPUQSAGZZYSQU-JTQLQIEISA-N	372.263	2.259	10	10	FECE	
COc1cc(Br)cc(CN2CC[C@](O)(C(F)F)C2)c1O	824726966	XWMWHXSUNPQONS-CYBMUJFWSA-N	352.175	2.365	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3nnc(-c4cscn4)o3)C2)cc1	902696402	JEUWQHVXEFTVER-LLVKDONJSA-N	371.422	2.210	10	10	FECE	
C[C@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCO1	914242670	QYHPAZMTOYXZBR-AWEZNQCLSA-N	365.449	2.107	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C1CC1)[C@@H]1CCCCO1	848933456	AZHUAORZXVDHKQ-RBUKOAKNSA-N	373.497	2.141	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN[C@H](C)C3CCCC3)CC2)cc1	754786809	AEHQVCVCYGSEKV-YLJYHZDGSA-N	361.530	2.346	10	10	FECE	
C[C@@H](O)[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1	853474096	GOPSSBISZAUHJR-UZLBHIALSA-N	369.465	2.445	10	10	FECE	
CNC(=O)[C@@H](NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1)C(C)C	860288053	SYAGIIRBUKUWRI-SFHVURJKSA-N	355.438	2.407	10	10	FECE	
CCOC(=O)[C@H](C)NC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	766708973	HKUYPHHAIFTQRA-HNNXBMFYSA-N	371.481	2.476	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N2CCCSC[C@H]2C2CC2)cc1	1119668689	WOHFJWYVYNWYBW-KRWDZBQOSA-N	361.511	2.113	10	10	FECE	
CN(C(=O)Cc1ccc(O)c(O)c1)C1CCN(C(=O)OC(C)(C)C)CC1	1136217913	XTVBSJFVOGBNLX-UHFFFAOYSA-N	364.442	2.498	10	10	FECE	
COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)N(C)Cc3ccc(N(C)C)cc3)[C@@H]2C1	897712436	PKFQXRJMLPHSDU-ATLSCFEFSA-N	359.470	2.482	10	10	FECE	
CCOC(=O)C1(C(=O)N(CC)Cc2ccc(N(C)C)cc2)CCOCC1	795751583	FKUGBKBZFPDEIO-UHFFFAOYSA-N	362.470	2.461	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc(C)n4nccc4n3)CC2)cc1	1084096141	UGJKBSSCWQUHLT-UHFFFAOYSA-N	351.410	2.009	10	10	FECE	
C[C@]1(c2cccc(CN[C@@H]3CCc4cccc(O)c43)c2)NC(=O)NC1=O	1324600372	BMEXNBSPOAMOHL-FOIQADDNSA-N	351.406	2.224	10	10	FECE	
CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CNC(=O)c1cccc(O)c1O	2118188173	AZGUHVZPTALXRE-JTQLQIEISA-N	372.368	2.472	10	10	FECE	
C[C@@H](CNC(=O)OC(C)(C)C)[C@H](F)C(=O)NCCc1ccc(O)c(O)c1	2124286704	QICUHFDYIROLJI-NHYWBVRUSA-N	370.421	2.255	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCC(O)(Cc2cccc(F)c2)CC1	1296727816	LEHXTHURKZJFGE-UHFFFAOYSA-N	359.397	2.376	10	10	FECE	
CCN[C@@H]1C(=O)Nc2cc(N(C)C[C@@H](O)COCc3ccccc3)ccc21	1916382195	QCCIVNJKNAQUGE-XLIONFOSSA-N	369.465	2.303	10	10	FECE	
COc1cccc(CNCC2(O)CCN(C(=O)OC(C)(C)C)CC2)c1O	1918913837	WKQGXLANNBQDTE-UHFFFAOYSA-N	366.458	2.252	10	10	FECE	
CCc1nnc(N2CC[C@@H](C(N)=O)C2)n1Cc1ccc(N(CC)CC)cc1	1709074753	POJQNBBLFDUCGI-MRXNPFEDSA-N	370.501	2.047	10	10	FECE	
C[C@@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C[C@@H](C)S1	1479185843	VGHGALZQNZAOJB-HZPDHXFCSA-N	362.543	2.474	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)[C@H](F)C1	1558870325	VVOFGRZERYEZIT-CHWSQXEVSA-N	368.405	2.104	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)/C=C(\C)CN3CCOCC3)CC2)cc1	1636702402	QIJMMDDRPZAJLU-FBMGVBCBSA-N	373.497	2.012	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCCCC2=O)cc1	1631256578	RQAJRCMYKXMCSZ-GJZGRUSLSA-N	358.398	2.449	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)c2ncnc(O)c2Br)c1	1566374378	GLUDBBNQKKHNKJ-SSDOTTSWSA-N	368.187	2.150	10	10	FECE	
CN1CCCc2cc([C@H](NC(=O)OC(C)(C)C)C(CO)CO)ccc21	1927284711	RZVZRURIZJMXFD-KRWDZBQOSA-N	350.459	2.236	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)N3CCO[C@@H](C(C)(C)C)C3)cc2)CC1	1565273243	RTLBPYDNLWEOPH-LJQANCHMSA-N	374.529	2.395	10	10	FECE	
CC(C)(C)OC(=O)NCC1(CO)CCN(Cc2cc(N)ccc2O)CC1	2138144734	RQYLPOCTCNOVAY-UHFFFAOYSA-N	365.474	2.074	10	10	FECE	
O=C(NCc1c(O)cccc1F)c1ccc(N2CCCS2(=O)=O)cc1	1596910927	AZGSAWROUIYWOM-UHFFFAOYSA-N	364.398	2.001	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC(c3cc(N)n[nH]3)CC2)c([N+](=O)[O-])c1	1772837590	XQAREGWNONYUMU-HYXAFXHYSA-N	371.397	2.470	10	10	FECE	
CCN(C)c1ccc([C@H](C)NCCS(=O)(=O)N2CCSCC2)cc1	155752593	WIJTUIDXAWBUNF-HNNXBMFYSA-N	371.572	2.172	10	10	FECE	
CN(CC[S@@](C)(=O)=NCc1cc(N)ccc1O)C(=O)OC(C)(C)C	1999475868	ULGARAHULWTBLB-XMMPIXPASA-N	357.476	2.439	10	10	FECE	
C[C@H](N[C@@H]1COC[C@H]1CNC(=O)OC(C)(C)C)c1c(O)cccc1O	2036600089	RXXKLLNKVFNCNO-YNEHKIRRSA-N	352.431	2.288	10	10	FECE	
C[C@@H](N)c1ccc(N2CCC(S(C)(=O)=O)CC2)cc1Br	383314719	QSVFYOOHPHMEOS-SNVBAGLBSA-N	361.305	2.482	10	10	FECE	
C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(C(=O)c1cc(O)c(O)c(O)c1)C2	2188868868	YCUBUNTZXNUGAT-IERDGZPVSA-N	368.433	2.398	10	10	FECE	
CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N(C)CCCN=[N+]=[N-]	2063955375	ZVTDAVHPQYRBRZ-QWHCGFSZSA-N	355.439	2.417	10	10	FECE	
C[C@H]1CN(c2cc3c(cc2N)OCC(=O)N3)CCN1C(=O)OC(C)(C)C	2106720579	WRSIVZGFZRGFKH-NSHDSACASA-N	362.430	2.045	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1CC(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-]	2218735695	QTBIDUZEQOCAIR-UMSGYPCISA-N	353.423	2.264	10	10	FECE	
COC[C@](CNC(=O)OC(C)(C)C)(Oc1ccc(N(C)C)cc1)C(=O)O	2229373364	LFVOURGCNXRQAY-SFHVURJKSA-N	368.430	2.126	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@H]4C[C@]4(CN)C3)ccc(N)c2C1	2272655021	LRNARXNISZZZKF-XCLFUZPHSA-N	358.486	2.347	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@@]2(C(=O)NCC2(CN=[N+]=[N-])CC2)C1	2278990377	VYDIPPZKOYKIKN-YVEFUNNKSA-N	365.434	2.219	10	10	FECE	
CN(C)c1ccc(CNC(=O)C=Cc2ccc(OCC(N)=O)cc2)cc1F	2297413779	AHZRRMGZPDFVQA-UHFFFAOYSA-N	371.412	2.085	10	10	FECE	
O=C1N=C(S)N(c2cccc(Br)c2)C(=O)/C1=C\NC1CC1	103122920	IRXIKFBGOPOHIU-XFFZJAGNSA-N	366.240	2.244	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1Cc2cccnc2C1	1263844805	QDTGNEXFCYEBQW-INIZCTEOSA-N	354.406	2.094	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1	182531100	SOBGPHCTYIJGFG-SECBINFHSA-N	355.316	2.261	10	10	FECE	
COc1ccc(CNCc2ccc(N3CCCS3(=O)=O)cc2)c(O)c1	185855931	PWYMVXHPPYMDHL-UHFFFAOYSA-N	362.451	2.231	10	10	FECE	
CCOC(=O)N1CCN(C(=O)c2c(C)oc(-n3cccc3)c2C#N)CC1	198645626	SSWVKMVYJZQBPW-UHFFFAOYSA-N	356.382	2.165	10	10	FECE	
CN1C(=O)/C(=C2\CC(=O)N(c3ccc(C(=O)O)cc3)C2=O)c2ccccc21	97514820	MCTFYCZEBPRQCH-SAPNQHFASA-N	362.341	2.078	10	10	FECE	
C[C@H](NC(=O)/C=C\c1ccc(N2CCOCC2)cc1)C(=O)OC(C)(C)C	255508079	RGUFUQKHTUZCQZ-XMELGKRDSA-N	360.454	2.383	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)c1	282990742	FNSMKFAFBXSUIB-YEWWUXTCSA-N	363.454	2.397	10	10	FECE	
Cc1ccc(CN2CCS(=O)(=O)[C@H](C)[C@H]2C)c(O)c1Br	2380733459	ONCWSVGSAVMACA-GHMZBOCLSA-N	362.289	2.471	10	10	FECE	
Cc1c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)nnn1C(C)C	292215424	QDZWSPTVUIAFTC-UHFFFAOYSA-N	361.421	2.073	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2CC23CCSCC3)cc1	817274968	VEMUZVZMWQVNRA-OAHLLOKOSA-N	361.511	2.018	10	10	FECE	
CO[C@H](CS(=O)(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C1CC1	827695107	QDOJUWATZMJISN-KBXCAEBGSA-N	354.516	2.336	10	10	FECE	
O=Cc1c(Br)nc2n1CCO/C2=C/c1cn(C2CCC2)nn1	901575951	UWPDOWMJKLTEKD-WUXMJOGZSA-N	364.203	2.303	10	10	FECE	
Cc1cc(Br)cc(CN2C[C@H](C)N(CCO)C[C@H]2C)c1O	841891829	PSFPVVYRNONGTB-QWHCGFSZSA-N	357.292	2.350	10	10	FECE	
CN(C)c1ccc(/C=C/CNC[C@H](N2CCNCC2)C(F)(F)F)cc1	841070042	IZCDSTASDCZTSN-IDOMTICXSA-N	356.436	2.192	10	10	FECE	
Cc1nn(C)c(Cl)c1S(=O)(=O)NCc1cc(Cl)ccc1O	845999743	ZPIKUDACGNPQSV-UHFFFAOYSA-N	350.227	2.219	10	10	FECE	
COC[C@@H](COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)OC	849628081	JVGUYPXPZLWBRC-LBPRGKRZSA-N	354.358	2.280	10	10	FECE	
COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NCc2c(O)cccc2F)C1	922052702	WUVYRSRUPZAILC-NEPJUHHUSA-N	353.394	2.197	10	10	FECE	
C[C@H](CNC(=O)CN(C)Cc1ccccc1O)N(C)Cc1ccccc1O	929975454	HOTDUNKBHWMHHK-MRXNPFEDSA-N	371.481	2.166	10	10	FECE	
COc1ccc(N2CC[C@H](N[C@H](C)C3CCS(=O)(=O)CC3)C2)cc1	850489196	RWKWMXYGHSUAEA-ZBFHGGJFSA-N	352.500	2.077	10	10	FECE	
CC[C@H](NC[C@]1(CO)COCC2(CCC2)N1C)c1ccc(F)cc1O	858466422	BCCYOMJVUBFKGR-LPHOPBHVSA-N	352.450	2.188	10	10	FECE	
CNCCCC(=O)N1CCC(NCc2cc(Cl)cc(OC)c2O)CC1	853247802	BMPMFRNNEZPYLD-UHFFFAOYSA-N	369.893	2.134	10	10	FECE	
Cc1cn2cc(CC(=O)NCc3ccc(N4CCOCC4)cc3)nc2s1	864984100	GBHBULGYLDJOMZ-UHFFFAOYSA-N	370.478	2.400	10	10	FECE	
COCCN(c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-])C1CCOCC1	866264824	UCJKYNJKPJJQOV-XQRVVYSFSA-N	364.398	2.413	10	10	FECE	
COc1cccc(CNC(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)c1O	772465322	VSCROPABLLTNHR-AWEZNQCLSA-N	355.394	2.326	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCN3C(=O)OCC[C@@H]3C2)c1	781909278	IQQBOEIISRMCGN-GFCCVEGCSA-N	355.232	2.490	10	10	FECE	
CCOC(COCCNC(=O)c1cc2cc(O)c(O)cc2s1)OCC	897535554	MGOBAZKPSSIHLH-UHFFFAOYSA-N	369.439	2.458	10	10	FECE	
CN(C)c1ccc(CNCCC2CS(=O)(=O)C2)c(C(F)(F)F)c1	793166809	IKNRIIYGWPIYHX-UHFFFAOYSA-N	350.406	2.296	10	10	FECE	
O=C(Cc1ccc(NC(=O)C(F)(F)F)cc1)NCc1c(O)cccc1O	1304053248	FUEJCXSRBFNDTR-UHFFFAOYSA-N	368.311	2.458	10	10	FECE	
CO[C@@H]1C[C@H](CNC(=O)Nc2ccc(N)cc2)N(C(=O)OC(C)(C)C)C1	2115816021	ANZBQJHMRCJOAT-HUUCEWRRSA-N	364.446	2.415	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)NCc2ccccc2O)CN(C(=O)OC(C)(C)C)C1	2124339205	WLIQAFINDZITOK-HUUCEWRRSA-N	364.442	2.280	10	10	FECE	
O=C(NCC[C@@H]1CC[C@H]2C[C@@H]12)C(=O)NCc1ccc(N2CC=CC2)cc1	1332901174	CXRBRLZJYAKUAB-LNLFQRSKSA-N	353.466	2.231	10	10	FECE	
C[C@H]([C@H](N)c1ccc2c(c1)CCN2C)N1CC(NC(=O)OC(C)(C)C)C1	2131754767	NSRDLBTXGQWKAG-ACJLOTCBSA-N	360.502	2.276	10	10	FECE	
COc1ccc(CNC(=O)COc2ccc(Br)cn2)c(O)c1	1448369378	DDOGALJBDFSCBY-UHFFFAOYSA-N	367.199	2.254	10	10	FECE	
Cc1nnc(N2C[C@@H](C)[C@@H](F)C2)n1Cc1ccc(N2CCOCC2)cc1	1290898312	WCJZVWHGPNBSPL-KDOFPFPSSA-N	359.449	2.266	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H](CO)[C@H]1CCOC1	1295798267	JLWQQENNOVROSR-MAUKXSAKSA-N	356.422	2.034	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)NCCNC(=O)CCCc1ccccc1	1469224788	PFJVPIBOQOVJBM-ZRDIBKRKSA-N	368.433	2.366	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1[nH]cnc1C(=O)c1ccccc1	1611431811	STDMQFCXIYYWCX-LBPRGKRZSA-N	365.389	2.413	10	10	FECE	
Cc1cn2nc(C(=O)N(C)Cc3ccc(N4CCCC4)cc3)cc2c(=O)[nH]1	1540488604	WRMPZCSPKMMYRX-UHFFFAOYSA-N	365.437	2.203	10	10	FECE	
CN(Cc1ccc(N)cc1)C(=O)[C@H](NC(=O)OC(C)(C)C)C1(O)CCC1	2136310009	IVSWDORQRWMNIC-HNNXBMFYSA-N	363.458	2.036	10	10	FECE	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnncc1O	1630280292	JKNSTLHYXFTKPH-LLVKDONJSA-N	364.352	2.182	10	10	FECE	
CC(C)(C)OC(=O)NOCCCNC(=O)NCc1c(O)cccc1F	1638691039	BOTHBVWHARGGOT-UHFFFAOYSA-N	357.382	2.177	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCCNc3cccc(C)n3)C2)cc1	1565055672	IGNUDTDTVOPRGO-MRXNPFEDSA-N	369.469	2.389	10	10	FECE	
CS(=O)(=O)N1CC(CN2CCCc3cc(OC(F)(F)F)ccc32)C1	1652745527	JOFBINVKQZKVMS-UHFFFAOYSA-N	364.389	2.229	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3CS[C@H](C)C3)CC2)c(OC)c1	1673624068	DNNIGWCWWGCOPI-KGLIPLIRSA-N	365.499	2.429	10	10	FECE	
CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H](C)Oc2ccc(N)cc2)c1	1860077660	BRUONHQHXKPJMC-LLVKDONJSA-N	364.423	2.174	10	10	FECE	
C[C@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccccc1O	1877550016	WEFMBYTZYNXZRM-ZENOOKHLSA-N	364.442	2.187	10	10	FECE	
CC1(C)CN(Cc2cc(Br)cc(F)c2O)CCS1(=O)=O	894063401	AUOIDEUYNPEHON-UHFFFAOYSA-N	366.252	2.303	10	10	FECE	
C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	1963688348	RQEHCIXDPFNTEP-WBMJQRKESA-N	364.442	2.402	10	10	FECE	
C[C@@H]1COC[C@@H](C(=O)NCc2ccccc2O)N1C(=O)OC(C)(C)C	2060139501	XSYYLZFNOJETGS-OCCSQVGLSA-N	350.415	2.033	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N2CCC(N=[N+]=[N-])CC2)C1	2060610677	KNARSHLESQAWCC-INIZCTEOSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2073245291	GQBJZMXVSXZLFQ-CHWSQXEVSA-N	355.439	2.201	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(CC(=O)Nc2ccc(N)cc2)C1	2106760071	LKKSZWUDKIWLOW-CZUORRHYSA-N	362.474	2.442	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NCc3cccc(O)c3O)C[C@@H]21	2343107713	AOMMUVDBZBMYJV-OFQRWUPVSA-N	364.442	2.354	10	10	FECE	
CN(C(=O)CN1C[C@@H]2CC[C@H]1[C@@H]2NC(=O)OC(C)(C)C)c1ccc(N)cc1	2356121519	KEHSJAUQZQXBHV-QANKJYHBSA-N	374.485	2.219	10	10	FECE	
COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)sc2c1CCC2	102832192	NUKFCIFFKJTGPC-SNVBAGLBSA-N	350.440	2.219	10	10	FECE	
O=C1CN(c2ccc(CNC(=O)c3c(F)cccc3Cl)cc2)CCN1	42078537	WRGBWLHFXOLEFL-UHFFFAOYSA-N	361.804	2.345	10	10	FECE	
Cc1nc(N2CCN(Cc3ccc(N(C)C)cc3)CC2)c2cnn(C)c2n1	93273202	NAGQVQYGQZGKSC-UHFFFAOYSA-N	365.485	2.060	10	10	FECE	
COc1cccc(CN[C@H]2CCN(C(=O)COc3ccccc3)C2)c1O	282972790	LMMDAWANPPPHJZ-INIZCTEOSA-N	356.422	2.170	10	10	FECE	
Cc1ncc(COC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)cn1	803225385	BUBMNOFCYOTXSF-UHFFFAOYSA-N	373.368	2.500	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)Nc3cn(C)c(=O)n(C)c3=O)c2C)c1	819985893	SUWOFBBMGPZGAD-UHFFFAOYSA-N	366.421	2.052	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CNCCCC(C)(F)F)CC2)cc1	819336342	GNSFZCSRDSICGS-QGZVFWFLSA-N	371.472	2.203	10	10	FECE	
CO[C@@H]1CCCC[C@H]1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	815378587	CLMDYCUWZMQSMU-QZTJIDSGSA-N	362.470	2.459	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc2ccc(OC)nn12	824234906	WSUPJDUAOKEGIA-UHFFFAOYSA-N	353.426	2.466	10	10	FECE	
Cc1cc(CN2CCC[C@@H]2CS(N)(=O)=O)ccc1N1CCCCC1	828300759	QQOPJVDGXOOBAK-QGZVFWFLSA-N	351.516	2.238	10	10	FECE	
CC(C)(CNC(=O)NCCCSc1nccs1)[C@@]1(O)CCOC1	826692413	GUTXRIFAWYPRGP-OAHLLOKOSA-N	359.517	2.102	10	10	FECE	
NC(=O)C1CCN(c2ccc(CN[C@H]3CCCc4c[nH]nc43)cc2)CC1	903094137	MUJXTKCUQKADDG-SFHVURJKSA-N	353.470	2.279	10	10	FECE	
C[C@](CC(=O)O)(NC(=O)OCc1ccccc1)c1cc(O)c(O)c(O)c1	1951852964	FROUFYKVKAQZRM-GOSISDBHSA-N	361.350	2.420	10	10	FECE	
CN(C/C=C/c1ccc(N(C)C)cc1)CC(=O)N1CCC[C@@H](C(=O)O)C1	901625230	DDDRDKFXZWFZTK-UKINESCASA-N	359.470	2.021	10	10	FECE	
COc1ccc(N2CCN(C(=O)Nc3ccc4c(c3)nnn4C)CC2)cc1	831970368	FKIMPASRQXANTO-UHFFFAOYSA-N	366.425	2.331	10	10	FECE	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cnn(C3CCC3)c2)c1	914154219	XNKCGCCJOBAERD-NSHDSACASA-N	351.428	2.362	10	10	FECE	
C[C@@H](NC(=O)[C@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1ccccc1O	913764012	YFPABVAXLFRCED-IOASZLSFSA-N	366.458	2.433	10	10	FECE	
COC[C@H](CCO)NC(=O)NCCc1cc(C)n(-c2ccccc2)c1C	740467444	OJTCVOXLSHDZHG-SFHVURJKSA-N	359.470	2.333	10	10	FECE	
C[C@@H](NC(=O)NC1C[C@@H]2CC[C@H](C1)S2(=O)=O)c1ccc(N(C)C)cc1	922053568	FHEGWFXUYWZKKG-JATKITJMSA-N	365.499	2.221	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)NCc1c(O)cccc1F	927044609	IKVWLZROXGQRMB-NSHDSACASA-N	353.394	2.340	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3c4ccccc4C[C@H]3O)C2)cc1	854301443	POVPUSKZFDLUHV-BEVDRBHNSA-N	367.449	2.231	10	10	FECE	
CC(C)(C)OC[C@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O	928236896	MSYIEIAENPSTGZ-CYBMUJFWSA-N	370.471	2.183	10	10	FECE	
C[C@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CS1(=O)=O	853411828	NRCXDIDYEHWZCD-GOEBONIOSA-N	365.499	2.052	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCCCC(=O)OC(C)C)C2)cc1	852451557	NEEFLUJSNFFCOA-OAHLLOKOSA-N	363.458	2.305	10	10	FECE	
C[C@H](NC(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21)c1ccccc1O	868658562	ZMAVWFZRLSCOHW-QWHCGFSZSA-N	360.435	2.324	10	10	FECE	
COC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccc(O)c(OC)c2)c1	797819735	PYBUQCSOOGUHHJ-UHFFFAOYSA-N	355.343	2.127	10	10	FECE	
O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1c(F)ccc(O)c1O	1306473382	XQMYALAQBDOFSG-OAHLLOKOSA-N	359.275	2.417	10	10	FECE	
O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)N1Cc2cccc(O)c2C1	1302788643	ZSJFYSGVDABVEA-UHFFFAOYSA-N	367.373	2.473	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC(N=[N+]=[N-])CC1	2124504517	ZQHSNPUBVUQJKD-ZDUSSCGKSA-N	363.422	2.147	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H]1C(F)F	2118175235	FEMOYFYIMZWZSY-QWRGUYRKSA-N	372.368	2.328	10	10	FECE	
O=C(NCC[C@H]1CCN(Cc2ccccc2)C1)c1cc(O)c(O)c(O)c1	2132404265	QJMWJQMVHNAQGR-HNNXBMFYSA-N	356.422	2.445	10	10	FECE	
C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccc(N4CCC(O)CC4)cc3)CN2C1	1352444379	VQMWIEVSIGGQJV-YVWKXTFCSA-N	371.525	2.384	10	10	FECE	
CN(C)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C2CC2)cc1F	1516999798	QKHIPVAUKBCOSU-HNNXBMFYSA-N	372.448	2.081	10	10	FECE	
CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1CCS(C)(=O)=O	1512805714	CIEGHOCLIXTRLQ-ZDUSSCGKSA-N	366.487	2.178	10	10	FECE	
Cc1c[nH]cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1=O	1610016830	GKASVXYFZVRMTH-KBPBESRZSA-N	373.428	2.366	10	10	FECE	
C[C@H](c1ccc(O)cc1O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1	2136339872	VPSPIPVAPQVIPY-ZMZPIMSZSA-N	366.414	2.213	10	10	FECE	
CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(Cl)ccc2O)c1	1644587055	CDINWOVAQQRGNZ-UHFFFAOYSA-N	368.842	2.274	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2cc(C)nc3c2cnn3C)cc1	1585449697	OUPAAPCZFGYHKC-UHFFFAOYSA-N	367.453	2.494	10	10	FECE	
C[C@@H](O)[C@H](C(=O)O)N1C(=O)/C(=C\c2cc(Cl)ccc2O)SC1=S	1858596434	TUBVRSSLFPCFRC-AWTCUREQSA-N	373.839	2.081	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2ccccc2O)C[C@H](O)C1(C)C	1878976668	OWRDGXAUGDPXQD-LIRRHRJNSA-N	364.442	2.063	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@]2(C1)C(=O)NCCN2CCCCN=[N+]=[N-]	1879803221	CLXBHFWWYDWDQA-KRWDZBQOSA-N	366.466	2.278	10	10	FECE	
CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]1(O)[C@@H](N)c1ccc2c(c1)CCN2C	1888020802	CAMNAZJBGVHNNW-ZWOKBUDYSA-N	361.486	2.439	10	10	FECE	
CNCc1ccc(N2CC[C@@H](CS(C)(=O)=O)C2)c(Br)c1	2143669061	APNYDJIMJHEYOY-GFCCVEGCSA-N	361.305	2.039	10	10	FECE	
COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NCc2c(O)cccc2F)C1	1966024803	GGCVARLXIQBGNY-CKSWESSHSA-N	368.405	2.220	10	10	FECE	
CC(C)S(=O)(=O)CCN(C)Cc1ccc(Br)cc1O	1971966010	HJVLPUCTUDTCKD-UHFFFAOYSA-N	350.278	2.410	10	10	FECE	
O=S1(=O)C[C@H]2C[C@@H](NCc3cc(Br)ccc3O)C[C@H]2C1	2161132785	MVBIWBOZOHFBLK-PTEHBNRSSA-N	360.273	2.068	10	10	FECE	
Nc1ccc(NC(=O)CN2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1	705893923	ADOSROUCLXETSH-QZTJIDSGSA-N	350.466	2.271	10	10	FECE	
C[C@@H]1CN(C[C@H](O)COc2ccc(N)cc2)CCN1Cc1ccccc1	396483180	MVYXTLATAKSNSR-XLIONFOSSA-N	355.482	2.215	10	10	FECE	
C[C@H](NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)c1ccccc1O	2192617838	NOURVIVQRFITJC-SWLSCSKDSA-N	374.441	2.429	10	10	FECE	
Cc1ccc(O)c(CNC[C@H]2C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C2)c1	2052657484	AIOLDTZEFXHVLN-JLJPHGGASA-N	350.459	2.454	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NCc2c(O)cccc2F)C1	2052720156	IUNWQNFDXHCGPB-DOMZBBRYSA-N	354.422	2.239	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](O)C1(C)C	2073245022	CYTRDLMAAUKUKI-MEDUHNTESA-N	355.439	2.200	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2253544606	KPQFWUBZUVJSJX-QWHCGFSZSA-N	353.423	2.048	10	10	FECE	
C[C@H](CNC(=O)C=Cc1ccc(N2CCOCC2)cc1)Cn1cccn1	2297505811	UTYPFKIINYQEFY-QGZVFWFLSA-N	354.454	2.185	10	10	FECE	
Cc1cc(C(=O)N2CCN(Cc3ccon3)CC2)c(C)n1-c1ccccn1	172801969	AATHMYRFRLYVLM-UHFFFAOYSA-N	365.437	2.435	10	10	FECE	
O=C(OCc1ccccc1)N1CCO[C@H](CNCc2ccc(O)cc2O)C1	305891388	VPTLNJPRMWEGSA-GOSISDBHSA-N	372.421	2.225	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[C@@]2(O)CCCC[C@@H]2C1	178699657	OFIFODDIYYKMEN-NQIIRXRSSA-N	359.514	2.338	10	10	FECE	
Cc1ccc(C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)c(O)c1O	190595324	PDLALLVZXRMNKO-INIZCTEOSA-N	355.438	2.395	10	10	FECE	
Nc1ccc(CC(=O)NCC2CCN(C(=O)c3ccccc3)CC2)cc1	237899721	YTXSTLNOWXWYDO-UHFFFAOYSA-N	351.450	2.480	10	10	FECE	
CCCN(C(=O)/C=C\c1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1	96543640	BGWDFLNLVHWTMN-CGQZWFTASA-N	350.484	2.192	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)CC2CN(C)C2)C1	618190790	GNIHMOVVUKECDA-UHFFFAOYSA-N	368.525	2.428	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)C1C[C@H]2COC[C@@H](C1)C2=O	804735954	MBTIOOJPANVUHW-CLYYMRHHSA-N	368.227	2.013	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccnn1CC(F)(F)F	294467942	INQLRYKPLWUCJO-UHFFFAOYSA-N	368.359	2.212	10	10	FECE	
O=C1CC[C@@H](N2CCN(Cc3ccc4ccccc4c3O)CC2)CCN1	825147537	IKRASCLXUHBXNM-GOSISDBHSA-N	353.466	2.332	10	10	FECE	
Cc1cc(Br)cc(CN2CCC(N3CC[C@H](O)C3)CC2)c1O	827700641	WCQCYTRFEWFWOY-INIZCTEOSA-N	369.303	2.494	10	10	FECE	
Cc1cc(C(=O)CN2C[C@@H]3CNC[C@H]3C2)c(C)n1-c1ccc2c(c1)OCO2	728914298	PUKHKJHJKIANMY-HOTGVXAUSA-N	367.449	2.157	10	10	FECE	
COC(=O)Cc1nc(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)n[nH]1	828008174	BNUNRVPZOAWELI-UHFFFAOYSA-N	367.409	2.109	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)/C=C/Cn1cncn1	901056886	SXXMIFGRLLGROU-ONEGZZNKSA-N	365.231	2.351	10	10	FECE	
Cn1nc(Cn2cc(COc3ccc(N)cc3)nn2)cc1C(F)(F)F	905838650	SFHJCRNUZYRBAB-UHFFFAOYSA-N	352.320	2.240	10	10	FECE	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCC[C@@](O)(CO)C3)c2C)cc1	839149407	RVHJVIRIXPFBAV-NRFANRHFSA-N	356.466	2.404	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4c(c3)COC4)C2)cc1	849416842	XVJXNOZUMXHUIU-INIZCTEOSA-N	374.462	2.283	10	10	FECE	
Nc1ccc(NC(=O)C(=O)N2CCCN(c3ccccc3F)CC2)cc1	841125960	ACJQDJQKDYUSEP-UHFFFAOYSA-N	356.401	2.085	10	10	FECE	
COc1cccc(N2CCC[C@@H](NC(=O)C(=O)Nc3ccc(N)cc3)C2)c1	841039803	BFLSXKUYOYYAQU-MRXNPFEDSA-N	368.437	2.001	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)NC(C)(C)C3CC3)CC2)cc1	757201647	AJCJLMKRDWLGRT-UHFFFAOYSA-N	360.502	2.305	10	10	FECE	
Cc1nc(CNC(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)no1	859415881	VZUQABGJSMKWFL-UHFFFAOYSA-N	352.394	2.457	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCc3ccnc(O)c3C2)c([N+](=O)[O-])c1	755056239	QKYWECHHKBKWMP-HYXAFXHYSA-N	355.350	2.444	10	10	FECE	
CN(C)Cc1cc([C@]2(NC(=O)OC(C)(C)C)C[C@H]2C(=O)O)ccc1O	1952950546	LBXJGSNKYAUXIM-SCLBCKFNSA-N	350.415	2.278	10	10	FECE	
Cc1cc(CC(=O)NCCCC2=NNC(=O)C2)c(C)n1-c1ccccc1	854487169	IQZAMAORGNTIFY-UHFFFAOYSA-N	352.438	2.409	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnc(OC)c(OC)c1	861818800	BDKUYXRZQIMAOT-UHFFFAOYSA-N	373.409	2.182	10	10	FECE	
CCO[C@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[C@@H]1CCOC1	866897853	KDXHHJIEEDOFBR-AOIWGVFYSA-N	363.454	2.341	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1F	1136730359	MMDPZNQOAYDXLI-UHFFFAOYSA-N	361.377	2.487	10	10	FECE	
CN[C@@H](C)c1ccc(N2CCS(=O)(=O)[C@@H](C)C2)c(Br)c1	707162272	IXBDEMHOIQKOOH-QWRGUYRKSA-N	361.305	2.353	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)OC)O2)cc1F	1144977295	FELWEZLQAXNSGS-CSMYWGQOSA-N	366.433	2.255	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1c(F)ccc(O)c1O	1306898000	LIGMFZPQORARRO-GHMZBOCLSA-N	368.405	2.470	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CCC[C@@H]3CN=[N+]=[N-])CO[C@H]2C1	2124536372	QUIFJJSGPXXWFV-SYQHCUMBSA-N	365.434	2.170	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C1	2126934381	TZGXVQPZWWJDJP-SUMWQHHRSA-N	367.450	2.440	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\c1ncccc1C	1321358810	BVMJUJFAQRFFQT-GQSKFBFOSA-N	370.405	2.105	10	10	FECE	
C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO)c1ccc(O)cc1O	2116265168	JPLPTYWJJQQCBS-HEHGZKQESA-N	366.458	2.366	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCCN4CCC[C@@H]4C3)C2)cc1	1327731505	CXBJBFDKBROMTH-FUHWJXTLSA-N	358.486	2.154	10	10	FECE	
COc1cccc(O)c1CN=c1nc([C@H](C)NC(=O)OC(C)(C)C)[nH][nH]1	2130115876	NBKSDWPUZBZMHE-JTQLQIEISA-N	363.418	2.139	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(C(=O)NCc3c(O)cccc3F)cc2)C1	1334437931	MHHIANUEBKSNSY-AWEZNQCLSA-N	371.412	2.163	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COC[C@H]1CC(=O)N1CCC(CN=[N+]=[N-])CC1	2131404006	KXOABQUZQRWHKX-KGLIPLIRSA-N	367.450	2.465	10	10	FECE	
COc1ccc(N2CCCN(C(=O)c3ccc(NC(C)=O)cn3)CC2)cc1	1355032345	UWYYRCBYPSCWFC-UHFFFAOYSA-N	368.437	2.401	10	10	FECE	
CCOC(=O)[C@@H]1CCCN(CC(=O)NCc2c(O)ccc3c2CCCC3)C1	1465953291	DPKVJIHPLWRMCI-MRXNPFEDSA-N	374.481	2.162	10	10	FECE	
COc1ccc(N2C[C@@H](NC(=O)N3Cc4cccc(O)c4C3)CC2=O)cc1	1478949319	RYNOQCHDJSPCKR-AWEZNQCLSA-N	367.405	2.232	10	10	FECE	
COC(=O)c1cccc2c1CCN2C(=O)c1cn(C)nc1-c1cccnc1	1617624310	JIIBBJFVNHJACL-UHFFFAOYSA-N	362.389	2.472	10	10	FECE	
Cc1nnc(N(C)C[C@@H]2CCOC2)n1Cc1ccc2c(c1)CCCN2C	1707863314	CQOKRWSLGJLQPO-KRWDZBQOSA-N	355.486	2.490	10	10	FECE	
C[C@H]1CN(c2ccc(NC(=O)Cc3ccc(O)c(O)c3)cn2)C[C@H](C)O1	1618633449	CZZDIEZIFCLBEE-STQMWFEESA-N	357.410	2.288	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)C(F)(F)C2(O)CCCC2)N(C)C)cc1	1558723211	KHUXARGENLYQDY-MRXNPFEDSA-N	369.456	2.412	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(-c2cnccn2)n1C[C@@H]1CCOC1	1711095430	MDBVNLZANXUISG-AWEZNQCLSA-N	366.425	2.114	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCN(c2ncc(F)cn2)CC1	1638310817	OUIIEELGJJAJBO-UHFFFAOYSA-N	374.397	2.204	10	10	FECE	
C[C@H](Sc1nc(CC(=O)N[C@@H](C)c2ccccc2O)cs1)C(N)=O	1642830910	LNAMBEJHJDYSNH-UWVGGRQHSA-N	365.480	2.235	10	10	FECE	
Cc1ccc(CN2C[C@@H](C(=O)NCc3c(O)cccc3O)CC2=O)cc1	1647178735	UIVHCXAVPZYXDH-HNNXBMFYSA-N	354.406	2.071	10	10	FECE	
CC(=O)NC1=NC(=O)/C(=C\c2cc3c(cc2Br)OCO3)S1	5789470	OHAUXLLFZBRJLH-QDEBKDIKSA-N	369.196	2.284	10	10	FECE	
Cn1c2c(c3cc(Cl)ccc31)C[C@H](C(=O)N1CCN(C=O)CC1)CC2	1858153676	QHMWMGRLCHXODA-CYBMUJFWSA-N	359.857	2.237	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc(S(C)(=O)=O)cc3)CC2)cc1	8028443	FHWNPNBIVHKRGB-UHFFFAOYSA-N	374.462	2.061	10	10	FECE	
CN[C@@H](C)c1ccc(N2CC(CS(C)(=O)=O)C2)c(Br)c1	2159436256	YDCHDQVEYLOFOH-JTQLQIEISA-N	361.305	2.210	10	10	FECE	
C[C@@H]1CN(c2ccc(CN)c(Br)c2F)C[C@@H](C)S1(=O)=O	400897467	KJOBRWQTFOSCGK-RKDXNWHRSA-N	365.268	2.059	10	10	FECE	
O=S1(=O)CC[C@]2(CCCN2c2ccc(CO)cc2Br)C1	2158452001	AKMGXAJJCWDOLN-CQSZACIVSA-N	360.273	2.099	10	10	FECE	
CN(CCCNC(=O)OC(C)(C)C)CC(=O)N(C)c1ccc(N)cc1	2044594563	HOODIQWMRZQVNB-UHFFFAOYSA-N	350.463	2.078	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NCc3c(O)cccc3F)CO[C@H]2C1	2057953740	OGEWZJNDLBBUQA-NOLJZWGESA-N	352.406	2.255	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060615748	RWTPECYGXDWXKT-UPJWGTAASA-N	353.423	2.312	10	10	FECE	
O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccccc1[N+](=O)[O-]	2297314412	RMBFDWDNQZWFFN-UHFFFAOYSA-N	351.318	2.257	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H]2OCCC[C@@H]21	2313256245	PMFDZZSOZINHDG-MQIPJXDCSA-N	353.423	2.218	10	10	FECE	
COC[C@]1(C(=O)NCC2(CN=[N+]=[N-])CC2)C=CCN1C(=O)OC(C)(C)C	2336338910	TVASMJCKYIPQFV-KRWDZBQOSA-N	365.434	2.385	10	10	FECE	
Cc1nn(C)c(C)c1CCNC(=O)/C=C/c1ccc(N2CCOCC2)cc1	108691449	UMPWSCZDRZPDRV-RMKNXTFCSA-N	368.481	2.246	10	10	FECE	
O=C1/C(=C/N2CCOCC2)SC(=S)N1c1ccccc1[N+](=O)[O-]	59397223	WFWCZYDRFJGQCM-XFXZXTDPSA-N	351.409	2.133	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC(CNC(C)=O)CC2)c([N+](=O)[O-])c1	52314489	SLBHWWNMPPHLKK-GQCTYLIASA-N	361.398	2.134	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@H](Cn2cccn2)C1	171901753	BHHSESSQHDMZOM-IBGZPJMESA-N	369.469	2.094	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc4nnn(C)c4c3)CC2)cc1F	185489533	NIZKSDBRAWRGEE-UHFFFAOYSA-N	369.400	2.078	10	10	FECE	
Cc1cccc(CN2CCN(C[C@H](O)COc3ccccc3)CC2)c1O	180132353	GFALXNJSTOPIKJ-IBGZPJMESA-N	356.466	2.258	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)NCc1cccc(CO)c1	255415026	LZIFPNIYXHDDEU-TWGQIWQCSA-N	352.434	2.345	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CCCC[C@H]2CCS(C)(=O)=O)c1O	367831296	HGLRVNYMYMARNE-ZDUSSCGKSA-N	372.443	2.098	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cncc(N2CCCC2=O)c1	625916028	HKVFTFWVFUXWDF-UHFFFAOYSA-N	366.421	2.314	10	10	FECE	
COC(=O)/C=C/c1ccc(N2C[C@H](C)O[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1	280371537	YOAPLRISAMTELJ-WETCAKHASA-N	362.382	2.165	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)N3C[C@@H](C)CC[C@H]3C)C2)cc1	824980583	GQZDGXWXFPQGBZ-GVDBMIGSSA-N	373.497	2.285	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccn(CC(F)(F)F)c1=O	907275601	WPYUMVAEYBTLTA-JTQLQIEISA-N	370.327	2.183	10	10	FECE	
Cc1noc(NC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1	836494556	SKLAHZRBELHUET-UHFFFAOYSA-N	370.457	2.232	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3coc(/C=C\C(=O)O)c3)CC2)cc1	901608249	GERTWROUHBPKCN-SREVYHEPSA-N	356.378	2.348	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@H](O)C[C@H]1[C@@H]1CCCOC1	838486580	PLOSMPQREHNVIX-RLLQIKCJSA-N	371.481	2.134	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCc3cc(F)c(F)cc32)c1	919814349	PSRSWEJPDHPHJQ-UHFFFAOYSA-N	368.361	2.245	10	10	FECE	
CN=[S@](C)(=O)CCNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C	912780067	OVVRZODPOSVYAL-RUZDIDTESA-N	361.467	2.364	10	10	FECE	
CCN1CCN(CC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)CC1	746105754	FGPKSJXFRIATFL-UHFFFAOYSA-N	368.525	2.390	10	10	FECE	
COCCn1c([C@H]2C[C@H]3CC[C@H]2O3)nnc1N(C)Cc1ccccc1O	846322245	WFEFCQJFTSVMBB-HLLBOEOZSA-N	358.442	2.301	10	10	FECE	
COc1ccc(N2CC[C@H](N3C(=O)N[C@H](CC4CCOCC4)C3=O)C2)cc1	924976912	FVESFJQEAYSWIB-FUHWJXTLSA-N	373.453	2.011	10	10	FECE	
C[C@H](NC(=O)NCc1ncc2c(n1)CCOC2)c1ccc(N(C)C)cc1	845124576	HSMLDJYKRBTBFT-ZDUSSCGKSA-N	355.442	2.176	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCCCn3ccnc3C)C2)cc1	851978522	MZWQSCXGYSHLPU-MRXNPFEDSA-N	357.458	2.168	10	10	FECE	
COc1ccc(N2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC2)cc1	853085110	GEBKDEAWZYKKQN-UHFFFAOYSA-N	356.382	2.029	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)N3CC(CC4CC4)C3)CC2)cc1	856852445	SUHLXFCDUWKOTC-UHFFFAOYSA-N	372.513	2.259	10	10	FECE	
COc1ccc(O)c([C@H](C)NC[C@@H]2CN(Cc3ccncc3)CCO2)c1	858565429	PKUGWBNDPVTFRJ-MAUKXSAKSA-N	357.454	2.347	10	10	FECE	
COc1ccc(CNC(=O)C2(NC(=O)OCc3ccccc3)CC2)c(O)c1	861490617	XTTZHHBNMUBCOC-UHFFFAOYSA-N	370.405	2.476	10	10	FECE	
C[C@@H]1OCCO[C@@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	931581506	MQWHIJKCJYLKGA-LRDDRELGSA-N	370.396	2.177	10	10	FECE	
CCOC(=O)C(C)(C)n1cc(NC(=O)N2Cc3cccc(O)c3C2)cn1	930418559	ZBBXAEKDPPCERE-UHFFFAOYSA-N	358.398	2.435	10	10	FECE	
C[C@H](NS(=O)(=O)c1ccccc1N)c1ccc(N2CCOCC2)cc1	767734347	COLFJRPBWPHHSH-AWEZNQCLSA-N	361.467	2.145	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1[C@H]2C[C@@H]3CO[C@@H]1[C@H]3C2	868116020	HLDHBBZFBSHMSO-BSWVEEBUSA-N	373.522	2.462	10	10	FECE	
CC1CC(n2nnc3c2CN(C(=O)/C=C/c2ccc(O)c(O)c2)CC3)C1	870737551	RIPNGEFIJNVTTC-HWKANZROSA-N	354.410	2.258	10	10	FECE	
COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)NCc2ccc(N(C)C)cc2)C1	773561653	CAVAOQYSDJQKRX-GDBMZVCRSA-N	362.474	2.419	10	10	FECE	
O=C(c1ccccc1)N1C[C@H](CNCc2cc(F)ccc2O)N2CC[C@H]1C2	779101391	MSBSQOCODFARST-OALUTQOASA-N	369.440	2.220	10	10	FECE	
O[C@@]1(CNCc2ccc(N3CCOCC3)cc2)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42	785546949	UJLXOBXHDLCZSR-NGNVUHDHSA-N	366.505	2.122	10	10	FECE	
O=C(CCc1cnc[nH]1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	793761146	SOGFBXJSPOREMP-UHFFFAOYSA-N	367.497	2.191	10	10	FECE	
O=C(O)[C@H]1CN(Cc2cc(Br)cc(F)c2O)CCS1	715787704	KASWUQOARPZECO-SNVBAGLBSA-N	350.209	2.296	10	10	FECE	
C[C@@H](N)c1ccc(N(C)C[C@@H]2CCCS2(=O)=O)cc1Br	694120930	TWIUTUAZKSGEHM-PWSUYJOCSA-N	361.305	2.482	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)/C=C/c1cncc(O)c1	1162539349	CDTCPDGOMDURIA-BQYQJAHWSA-N	356.378	2.098	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1CCCS1(=O)=O	1312694033	HPRNXTSLQHSJGE-KRWDZBQOSA-N	365.499	2.005	10	10	FECE	
O=C(O)C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)C1CCOCC1	1322233540	LQFFBWMLZUKONH-KRWDZBQOSA-N	366.433	2.022	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2124531770	GLNGJSYUWFUYCE-MELADBBJSA-N	367.450	2.417	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)c3cnn(CCOC)c3C)CC2)cc1	1331917295	VSWUJDJPKSRXBW-UHFFFAOYSA-N	372.469	2.199	10	10	FECE	
CO[C@@H]1C[C@@H](NCc2cc(Cl)cc(Br)c2O)C[C@@H]1O	2130805273	QEWLDOOSCISLAB-ZMLRMANQSA-N	350.640	2.436	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(CCc2ccc(N)cc2)C1	2132280890	LOXRIBGMGRCYLP-JKSUJKDBSA-N	363.458	2.254	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1Cc2cc(F)ccc2NC1=O	1466790061	AZZNONGNUOTASD-IINYFYTJSA-N	358.369	2.095	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](c2nnc3ccccn23)C1	1465213312	OXEAWNSWHMHPKX-AWEZNQCLSA-N	352.394	2.089	10	10	FECE	
C[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1N)c1ccc(N(C)C)cc1	1467260960	XDGROVNMHYUNIW-LBPRGKRZSA-N	361.467	2.229	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)c1c(F)ccc2nc[nH]c12	1542302660	ZTNOFAJSVDGRIX-UHFFFAOYSA-N	354.385	2.469	10	10	FECE	
NC(=O)C1CCN(c2cccc(NC(=O)c3cc(F)ccc3N)c2)CC1	1618148958	OWCCUHQSWNZYNJ-UHFFFAOYSA-N	356.401	2.362	10	10	FECE	
COc1ccc(CN[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cc1C	1714275001	PRXLXHBHOZZHRD-JCGIZDLHSA-N	356.470	2.135	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@@H]1Cc2cc(Br)ccc2O1	1635848097	ZYBPHEJTJOHESO-HNNXBMFYSA-N	364.195	2.480	10	10	FECE	
CCCn1nccc1NC(=O)CN(C)CCN(C)c1ccc(OC)cc1	1646720196	RVPUCSUFULZUOE-UHFFFAOYSA-N	359.474	2.308	10	10	FECE	
COc1ccc(CN[C@H](C)CN(C)C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1C	1734329451	GXBQCTSPGFKBOQ-DJIMGWMZSA-N	356.470	2.467	10	10	FECE	
CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@]1(O)CCN(C)C1	1752614933	AHYQJDJQDKSVQF-MGPUTAFESA-N	373.501	2.200	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)NCCN=[N+]=[N-])cn2)CC1	2140397867	NURSYYWCHFOZMA-UHFFFAOYSA-N	363.422	2.495	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ncoc3[C@@H]3CCCO3)CC2)cc1	1319277194	FCHQTJFZBFWBAT-INIZCTEOSA-N	357.410	2.497	10	10	FECE	
CNCc1ccc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc1Br	2170654886	ZTOSBAUXEPNOAU-QWRGUYRKSA-N	363.321	2.426	10	10	FECE	
CNCc1ccc(N2CCS(=O)(=O)[C@H](C)[C@H]2C)c(Br)c1	2170284648	VPLUEWDUZAXFDK-GHMZBOCLSA-N	361.305	2.180	10	10	FECE	
CN(CC[S@@](C)(=O)=NC(=O)c1ccc(O)c(O)c1)C(=O)OC(C)(C)C	2054415092	BORTZITWJGOYAJ-RUZDIDTESA-N	372.443	2.203	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1CN=[N+]=[N-])[C@@H]1CCCO1	2060637765	OOFQLZLDJOKAPX-AVGNSLFASA-N	353.423	2.360	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@H](CNC(=O)OC(C)(C)C)[C@H]1CCOC1	2060613579	STMUSPZWGXIJHH-STQMWFEESA-N	355.439	2.323	10	10	FECE	
COc1cccc(O)c1CNCCN1CCN(Cc2ccccc2)CC1	2104438848	OWBWLHFOGLTGLN-UHFFFAOYSA-N	355.482	2.308	10	10	FECE	
CC(C)(C)OC(=O)NC1[C@H]2C[C@H]1CN(CC(=O)Nc1ccc(N)cc1)C2	2106687487	YGLOCHGGOXKZCW-STQMWFEESA-N	360.458	2.052	10	10	FECE	
O=S1(=O)C[C@@H]2CCC[C@@]2(NCc2cccc(Br)c2O)C1	2201868607	WBNWOROYLBIFOT-SMDDNHRTSA-N	360.273	2.212	10	10	FECE	
COc1ccc(N(CCNC(=O)OC(C)(C)C)C[C@H](C)O)c(OC)c1	2257600874	FYKITAZPUYPZHC-ZDUSSCGKSA-N	354.447	2.416	10	10	FECE	
CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1ccn(-c2ccc(N)cc2)n1	2283681149	APXLNRQDTRDENR-PLNGDYQASA-N	371.441	2.265	10	10	FECE	
Cc1nn(C)c(C)c1CCNC(=O)C=Cc1ccc(N2CCOCC2)cc1	2297505300	UMPWSCZDRZPDRV-UHFFFAOYSA-N	368.481	2.246	10	10	FECE	
CC(C)OC(=O)[C@@H](C)N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1	129680893	AIUSBJLMBWPOOC-OJXHRBAXSA-N	360.454	2.335	10	10	FECE	
C[C@H](CCN1CCN(C)CC1)N[C@H](C)c1ccc(N2CCOCC2)cc1	186604136	DIAPNJOYBPJZJV-RTBURBONSA-N	360.546	2.200	10	10	FECE	
O=C(CSC1CCOCC1)NCc1ccc(N2CCOCC2)c(F)c1	131310079	HMQZOFDPLVZTHR-UHFFFAOYSA-N	368.474	2.191	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c1O	375716521	CGFMLNWKVYPISS-VHDGCEQUSA-N	352.387	2.077	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CCC(CNS(C)(=O)=O)CC2)c1O	285493610	PNKUGTKZXUNNDO-UHFFFAOYSA-N	374.890	2.009	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)/C=C/[C@@H]3CCCO3)CC2)cc1	819032316	AXYAOWRJUZICJW-XTXLJPNXSA-N	373.497	2.059	10	10	FECE	
CN(C)c1ccc2c(c1)CN(C(=O)Cn1c(=O)oc3ccccc31)CCO2	575541534	OIMMREUAIOGXOM-UHFFFAOYSA-N	367.405	2.082	10	10	FECE	
Cc1cc(C(=O)CN2CCO[C@@H]([C@H](C)O)C2)c(C)n1-c1cccc(F)c1	839672595	SFQJJLSJPGBARV-MGPUTAFESA-N	360.429	2.498	10	10	FECE	
C[C@@H](C(=O)N1Cc2cccc(O)c2C1)[C@H](O)CN(C)C(=O)OC(C)(C)C	913726019	GCFPFHJCYSWYGB-MLGOLLRUSA-N	364.442	2.098	10	10	FECE	
Nc1ccc(NC(=O)C(=O)NC[C@H]2CCCCN2Cc2ccccc2)cc1	841024785	SHTTWNJXJABJPA-LJQANCHMSA-N	366.465	2.378	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCO[C@@H](C2CCC2)C1	840268029	RCSLDUIGZCRQQZ-LJQANCHMSA-N	359.470	2.234	10	10	FECE	
C[C@@H](NC(=O)N1C[C@@H]2CCC[C@H](C1)N2)c1ccc(N2CCOCC2)cc1	841739797	CHUMYZFDJGOWNV-NXHRZFHOSA-N	358.486	2.120	10	10	FECE	
COc1c(C)ncnc1NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	848654397	ZEUVOTSQUCFCET-HNNXBMFYSA-N	355.442	2.107	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@]3(OC)CCSC3)C2)cc1	923187635	ZGKUJSBYVGRIEO-KBXCAEBGSA-N	365.499	2.095	10	10	FECE	
CCN(CC)C(=O)CCCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	855230101	NCMPKUJWLGDIRJ-INIZCTEOSA-N	361.486	2.429	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CC[C@@H](Cn3ccnn3)C2)c1O	853521776	GFOZWUQEBJMELL-CQSZACIVSA-N	366.421	2.446	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC[C@@H]1CCCOC1	859277524	VSEVJAADQZRBKB-KRWDZBQOSA-N	361.486	2.034	10	10	FECE	
Cc1ccc([C@@H](C)N[C@@H]2CCN(c3ccc4nncn4n3)C2)c(O)c1C	858489552	GMNACMFHXMYLKF-HUUCEWRRSA-N	352.442	2.376	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H](C)C(C)(C)OC)CC2)cc1F	925503264	IUEZKNQKVDOEJV-ZDUSSCGKSA-N	353.438	2.479	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CNCc4ccccc43)C2)cc1	852843725	FWGFXNUPBYZCLD-OXQOHEQNSA-N	351.450	2.277	10	10	FECE	
CCCN(C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCN(C)C1	854296015	GTNDAMSOGTZNSW-FUHWJXTLSA-N	360.502	2.400	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCCc2n[nH]cc2C1	852989669	VHTZNESMHKQFQH-UHFFFAOYSA-N	369.469	2.029	10	10	FECE	
C[C@H]1CCc2nc(C(=O)NCc3ccc(N4CCOCC4)cc3)cn2C1	857919351	LRXQQDZJLJCVCV-HNNXBMFYSA-N	354.454	2.232	10	10	FECE	
Oc1c(CN[C@@H]2CCN(c3ccc4nncn4n3)C2)ccc2ccccc12	862481068	BWMSPLDMKVAVHC-MRXNPFEDSA-N	360.421	2.352	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC[C@]12CCCC[C@@H]1C2	1119818290	WANSHBFVJISALG-DYESRHJHSA-N	353.466	2.376	10	10	FECE	
CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)NCc1ccc(N(C)C)cc1	775447163	LHERMBWBMGHOHY-IRXDYDNUSA-N	363.458	2.005	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCN3CC(F)(F)C[C@H]3C2)c([N+](=O)[O-])c1	1118185733	ITQPKFWLOKWIGO-LQPUYASZSA-N	367.352	2.311	10	10	FECE	
Cc1cc(Br)c(O)c(CN(C)[C@@H](C)CS(C)(=O)=O)c1	781913248	RJNCGGLVGFOIHJ-JTQLQIEISA-N	350.278	2.328	10	10	FECE	
COC(=O)c1c(CNC[C@@H]2CCOC[C@@H]2OC)c2cc(F)ccc2n1C	894887363	DRBKXEOURBZQOW-SJCJKPOMSA-N	364.417	2.245	10	10	FECE	
COC[C@@H](C)CNCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	783598549	IMEQYRNYKJJVOH-INIZCTEOSA-N	373.476	2.314	10	10	FECE	
CCOC(=O)c1cc(CNC(=O)c2cc3cc(O)c(O)cc3s2)on1	1152133193	CFJPRQCTVOVKTP-UHFFFAOYSA-N	362.363	2.407	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NC[C@H]1C[C@@H]1C	1321887255	WQPHBTMVIMXVKN-WDEREUQCSA-N	369.259	2.275	10	10	FECE	
Cn1nccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2124517138	YJWMSCWDVYRWCJ-AAEUAGOBSA-N	363.422	2.287	10	10	FECE	
C[C@@H]([C@H](N)c1ccc2c(c1)CCN2C)N1CC(NC(=O)OC(C)(C)C)C1	2131754776	NSRDLBTXGQWKAG-UGSOOPFHSA-N	360.502	2.276	10	10	FECE	
CCOCc1nnc(N2CCCC2)n1Cc1ccc(N2CCOCC2)cc1	1616863139	HRHVJJXYAHIHSX-UHFFFAOYSA-N	371.485	2.300	10	10	FECE	
CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1OCC(=O)NC	1626143660	GGRNTPSOESHYON-HNNXBMFYSA-N	372.421	2.033	10	10	FECE	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1/C=C1\C(=O)N(C)c2ccccc21	8056766	RFBQOWHBLFGMLU-AYCSXLNKSA-N	371.462	2.377	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H](CF)c2ccc(F)cc2)c1	1649179648	YFDXOUBTWYUOFX-AWEZNQCLSA-N	370.377	2.343	10	10	FECE	
Cc1cc(CC(=O)N2CCN(c3nc[nH]n3)CC2)c(C)n1-c1ccccc1	1570871123	BUXHKFDUFDJOEO-UHFFFAOYSA-N	364.453	2.104	10	10	FECE	
Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1	1585539581	LZKDOGCWPPGUQF-UHFFFAOYSA-N	370.409	2.068	10	10	FECE	
Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)NCc1cc(O)ccc1O	1651225516	MYSKGQPWCUVYQV-UHFFFAOYSA-N	362.386	2.108	10	10	FECE	
CCCN(CCC(=O)OCC)C(=O)CCNCc1ccc(N(C)C)cc1	1857862665	AGZKZKYRFNOLDA-UHFFFAOYSA-N	363.502	2.424	10	10	FECE	
C[C@H](NC(=O)C[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O	1877573533	LZLDCBFPWZWKNC-GUTXKFCHSA-N	364.442	2.499	10	10	FECE	
C[C@H](c1cc(Br)ccc1O)N1C[C@H]2CS(=O)(=O)C[C@@H]2C1	2144164081	DJYSUAITVLBEFT-VWYCJHECSA-N	360.273	2.192	10	10	FECE	
CCCN(Cc1ccc(N)cc1)C[C@H](O)CN1C(=O)c2ccccc2C1=O	2025441100	LXRLLUPPKFYODZ-KRWDZBQOSA-N	367.449	2.138	10	10	FECE	
C[C@@H]1CC[C@H]([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CC[C@@H](N=[N+]=[N-])C2)O1	2060635526	MSGBMBTWNFTGBO-FDYHWXHSSA-N	353.423	2.358	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CCCOC1	2060618444	ZHOLNCIOOAJSRP-LRDDRELGSA-N	353.423	2.219	10	10	FECE	
COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccccc1O	2072481765	KTGCQIFSEARUDK-BXUZGUMPSA-N	354.403	2.041	10	10	FECE	
C[C@H]1CN(CCCOc2ccc(N)cc2)CC[C@H]1NC(=O)C(F)(F)F	2106683717	FVKIJSCUDLJFHT-SWLSCSKDSA-N	359.392	2.427	10	10	FECE	
CCS(=O)(=O)C[C@H](C)N(C)c1ccc(CO)cc1Br	2114144833	HYHMCZIRISSIDY-JTQLQIEISA-N	350.278	2.201	10	10	FECE	
Cn1cc(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])c(CNC(=O)OC(C)(C)C)n1	2225791808	HOQGVDAGVLBKSV-RYUDHWBXSA-N	363.422	2.406	10	10	FECE	
Cc1ccc(CNCCCCS(C)(=O)=O)c(O)c1Br	2352685549	XFXFHBHZSGEYEH-UHFFFAOYSA-N	350.278	2.378	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)cc1	178563708	GJVRZJOIZTUMGN-LJQANCHMSA-N	357.410	2.459	10	10	FECE	
CCc1nc2n(n1)C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)CC2	114977045	PVERRCOHSWXEQB-HNNXBMFYSA-N	356.474	2.063	10	10	FECE	
COc1ccc(O)c(CNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)c1	179359879	JRCYZVPXYVLILU-LPHOPBHVSA-N	372.396	2.376	10	10	FECE	
CCN1C(=O)/C(=C2/SC(=S)N([C@@H](C)C(=O)O)C2=O)c2ccccc21	33562594	YOUAUWODSIYXAY-BVKVCPRXSA-N	362.432	2.098	10	10	FECE	
CC(C)CN1C(=O)/C(=C\Nc2ccnn2[C@H](C)C2CC2)C(=O)NC1=S	72680459	YSBWRTSJMXJMJF-JYVXZMADSA-N	361.471	2.049	10	10	FECE	
Cc1ccc(CNC(=O)[C@@H](CN)C(F)(F)F)c(O)c1Br	2381142494	LCIUJFKRWUGMNO-MRVPVSSYSA-N	355.154	2.217	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCC(N3CC[C@H](O)C3)CC2)c1	827700215	QBTGMSJZDNZVRG-HNNXBMFYSA-N	369.303	2.494	10	10	FECE	
CN(C)C(=O)NC1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1	908788684	UFTHPPIMUBNWEI-UHFFFAOYSA-N	363.439	2.188	10	10	FECE	
COc1ccccc1[C@H](O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	900387102	QNTFAICAKCOUKD-QRWLVFNGSA-N	370.449	2.443	10	10	FECE	
Cc1ccccc1[C@@H]1CCN(Cc2cc(O)n3ncc(C(=O)O)c3n2)C1	738324236	FIXFWUYMSJHHDL-CYBMUJFWSA-N	352.394	2.431	10	10	FECE	
Cc1cc(O)ncc1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	837708507	VNBWEZMCIOBVAY-UHFFFAOYSA-N	363.364	2.140	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N(CCOCCO)C1CCC1	912277405	QGUVCXUCJCVNSS-UHFFFAOYSA-N	351.424	2.316	10	10	FECE	
COc1ccc(CNC(=O)NCC2(N)C3CC4CC(C3)CC2C4)c(O)c1	842012937	MKEWEIFLQNYNPG-UHFFFAOYSA-N	359.470	2.354	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cnn2c1C[C@@H](C)CC2	843909002	SFRZYKIVMQYAHP-AWEZNQCLSA-N	371.437	2.377	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cc4nn[nH]c4cc3F)C2)cc1	855225882	LJLMCWZTHHFISJ-NSHDSACASA-N	355.373	2.114	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3[nH]nnc3-c3ccccc3)C2)cc1	855225937	MICHNQIRTMPHEC-OAHLLOKOSA-N	363.421	2.489	10	10	FECE	
CO[C@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@H]1CCOC1	850484865	SIYDKEINYFHQMI-SIXWZSSISA-N	352.450	2.364	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(C(N)=O)nc1	858663196	QCRDKTKEKQQZRK-UHFFFAOYSA-N	354.454	2.226	10	10	FECE	
COC(=O)[C@@H]1CC[C@H](NC(=O)NCc2cc(Br)ccc2O)C1	924164647	ZNLNGJGVDTZMFG-SKDRFNHKSA-N	371.231	2.296	10	10	FECE	
CC[C@@H](NC[C@@]1(CO)COCC2(CCC2)N1C)c1ccc(F)cc1O	858466425	BCCYOMJVUBFKGR-VQIMIIECSA-N	352.450	2.188	10	10	FECE	
O=C(C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)N1C[C@H]2CC[C@@H](C2)C1	850596158	LUVCNGJJLFWZDF-BQFCYCMXSA-N	372.465	2.158	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3cnc(F)cc3C)CC2)cc1	865033625	HOEJRPSOOBYKFK-UHFFFAOYSA-N	372.444	2.090	10	10	FECE	
CN1CCn2nc(NC(=O)c3csc(Cc4ccc(N)cc4)n3)cc2C1	868036721	HHIOUZMKZJCXPX-UHFFFAOYSA-N	368.466	2.210	10	10	FECE	
Oc1ccsc1-c1nnc(N2C[C@@H]3[C@@H](C2)C3(F)F)n1C[C@H]1CCOC1	1345431557	DOTFMTZRKCNMNL-GMTAPVOTSA-N	368.409	2.450	10	10	FECE	
COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C	871562233	SEVWADOVEVYUFD-OXQOHEQNSA-N	370.449	2.331	10	10	FECE	
O=C1N[C@@H](Cc2cncs2)C(=O)N1CCCSc1nccs1	871894796	WWUVYNMQSKRIPM-JTQLQIEISA-N	354.482	2.245	10	10	FECE	
COc1ccc(O)c(CNS(=O)(=O)c2cnccc2C(F)(F)F)c1	785495292	NQZXGEBRQUOSLI-UHFFFAOYSA-N	362.329	2.293	10	10	FECE	
COc1ccc(O)cc1C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1	780777528	QHADFDJVNBEPLF-UHFFFAOYSA-N	369.421	2.355	10	10	FECE	
CN1CCc2cc(CNC[C@]3(O)CCN(Cc4ccccc4)C3)ccc21	702588440	SKHINSWMFSKILP-JOCHJYFZSA-N	351.494	2.406	10	10	FECE	
Cc1nc(-c2ccc(NC(=O)C3=S=c4c(cc[nH]c4=O)=C3)cc2)oc1C	1142030921	DCPYFAKESHSRJL-UHFFFAOYSA-N	365.414	2.236	10	10	FECE	
O=C(CN1C(=O)COc2ccc(Cl)cc21)NCc1c(O)cccc1F	1303877421	CZSSVAFTUUEZFH-UHFFFAOYSA-N	364.760	2.227	10	10	FECE	
CC(C)(C)OC(=O)NCCn1cnc(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)c1	2124537027	VGYKEXWOIJDDJH-LBPRGKRZSA-N	363.422	2.323	10	10	FECE	
CN1CCc2cc([C@H](N)[C@]3(O)CC[C@H]3CNC(=O)OC(C)(C)C)ccc21	2117892970	SDZUSHIWCHVYBQ-KNBMTAEXSA-N	361.486	2.345	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1[C@H]2CC[C@H]1N(C(=O)COc1ccc(N)cc1)C2	2127640065	VAYZWNGWBPHEIX-MJEQTWJJSA-N	361.442	2.162	10	10	FECE	
CN1C[C@@H]2[C@@H](CC[C@H]2NC(=O)NCc2cccc(Br)c2O)C1	1263783277	ZOGSFPPEKGSDAI-OUCADQQQSA-N	368.275	2.294	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)NC3CCC=CCC3)CC2)cc1	1262131860	MFNKMQAYEQBAQG-UHFFFAOYSA-N	371.481	2.395	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C(C)(C)C)n1C[C@@H]1COCCO1	1298359307	KEMWUUCNYKDDBK-OAHLLOKOSA-N	360.458	2.333	10	10	FECE	
COC(=O)CN(CCC(F)(F)F)C(=O)c1ccc(N=NC(N)=O)cc1	1465758715	XKBSZHXMAIYNQK-UHFFFAOYSA-N	360.292	2.417	10	10	FECE	
CCOC(=O)Cn1nc(C)cc1NC(=O)c1ccc(C2=S=CC=C2)o1	1530865692	MFLXSYDVJAZCNG-UHFFFAOYSA-N	359.407	2.226	10	10	FECE	
CN(C)c1ccc(CNC(=O)/C=C/c2ccc3c(c2)NC(=O)CO3)cc1	1531320443	CGZUSETVIFXGPW-UXBLZVDNSA-N	351.406	2.413	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CN(CC(C)C)CCO1	1543150560	AFDKAJUPSXYJRN-SFHVURJKSA-N	373.501	2.285	10	10	FECE	
O=C(NCc1c(O)cccc1F)NC1CN(C(=O)OCc2ccccc2)C1	1636080676	MJZOEYNVZABPAL-UHFFFAOYSA-N	373.384	2.352	10	10	FECE	
CS(=O)(=O)Nc1cc(C(=O)NCc2c(O)cccc2O)ccc1Cl	1635848058	YJFPOVXKAZSVML-UHFFFAOYSA-N	370.814	2.053	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(N2CCCNC2=O)cc1	1179691428	NZKKXBKAYZMTKV-WEVVVXLNSA-N	367.405	2.347	10	10	FECE	
C[C@@H]1C[C@@H](CNCc2cc(Br)ccc2O)CCS1(=O)=O	1967902239	RDVUCPJKSOLGFL-MNOVXSKESA-N	362.289	2.458	10	10	FECE	
COC(=O)[C@]1(NCCN=[N+]=[N-])CN(Cc2ccccc2)C2(CCOCC2)C1	2156282281	XOGSSRSUCLEBSR-LJQANCHMSA-N	373.457	2.253	10	10	FECE	
CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(CCc3ccc(N)cc3)C2)CC1	2162957404	OIJUHTPOHNXDTQ-LJQANCHMSA-N	374.529	2.438	10	10	FECE	
CCN(C[C@@H](C)NC(=O)OC(C)(C)C)C(=O)COc1ccc(N)cc1	2044645023	WROTWRWFHQULRX-CYBMUJFWSA-N	351.447	2.409	10	10	FECE	
COc1cccc(O)c1CNCCCOCCNC(=O)OC(C)(C)C	2049164566	DUHXCUBDSLPCTO-UHFFFAOYSA-N	354.447	2.422	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])CC1	2218735934	SUUHXXMXYWJDKL-RYUDHWBXSA-N	353.423	2.096	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc3c(c2)COCC3)C[C@@H]1CO	2226714609	ARQMEPUDCPSCPU-SJLPKXTDSA-N	362.470	2.471	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@]12C[C@@H]2C(=O)NCCc1ccc(O)c(O)c1	2268131912	QRELYQDSGHJEPQ-PEELUZDISA-N	362.426	2.060	10	10	FECE	
CC[C@H](Oc1ccccc1C=C1SC(=S)N(CCO)C1=O)C(=O)O	2314928909	DRISYAGWWOKFFY-NSHDSACASA-N	367.448	2.122	10	10	FECE	
CN[C@@H](c1ccc2c(c1)CCN2C)[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C	2329489123	YHCDSEJDQLUQOH-RYRKJORJSA-N	361.486	2.479	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)N3CC[C@H](CN=[N+]=[N-])C3)CO[C@H]1C2	2334183639	LIBDRZBDSNDHMJ-KOFHJDLBSA-N	365.434	2.218	10	10	FECE	
CC(C)(C)OC(=O)NC1(CNCCc2ccc(O)c(O)c2)CCOCC1	2341397941	NQVDDXUNYHBUTC-UHFFFAOYSA-N	366.458	2.304	10	10	FECE	
CN1C[C@@H](COC(=O)CCn2c3c(c4ccccc42)CCCC3)OCC1=O	1848843409	ZPFGTVGLMOUNJX-HNNXBMFYSA-N	370.449	2.311	10	10	FECE	
CCN(CC)CCC[C@@H](C)N/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O	100190992	CAPPNECGWSHKOZ-PWVLXBNSSA-N	372.469	2.253	10	10	FECE	
CN1C(=O)Cc2cc(N3CCN(C(=O)c4cccc(F)c4)CC3)ccc21	62093734	XVXZUEMFZYILKH-UHFFFAOYSA-N	353.397	2.307	10	10	FECE	
COc1cc(OC)cc(C(=O)NC2=N[C@H](c3ccccc3F)CC(=O)N2)c1	20924616	QSSLCWXKUPYTSD-INIZCTEOSA-N	371.368	2.190	10	10	FECE	
CCC(=O)NCc1nc2c(n1C)CN(Cc1ccc(N(C)C)cc1)CC2	75541811	HIEBFJNFQOOMCG-UHFFFAOYSA-N	355.486	2.071	10	10	FECE	
NS(=O)(=O)Nc1cccc(NCc2cccc(Br)c2O)c1	48796992	GVCLMWQCNLWYPO-UHFFFAOYSA-N	372.244	2.382	10	10	FECE	
CCOc1ccc(O)c(CN2CCN(C(=O)c3ccc(O)cc3)CC2)c1	91811214	AMXCDGCCNJIVTG-UHFFFAOYSA-N	356.422	2.455	10	10	FECE	
C[C@@H](CCO)CNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92438026	BOTKMSWYMKXXTF-KRWDZBQOSA-N	374.529	2.036	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCc2ccnc(O)c2C1	277022274	DVLCHHNAPXGPNZ-UHFFFAOYSA-N	350.422	2.431	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCC4(C3)Oc3ccccc3O4)cc2N1	377159831	ULDJXNDILICZAD-UHFFFAOYSA-N	369.333	2.304	10	10	FECE	
Cc1ccc(CN(C)C(=O)[C@@H]2CSC(=O)N2)c(O)c1Br	2380774565	GDAVNJHUPUJAAJ-VIFPVBQESA-N	359.245	2.247	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)CN3C[C@H](C)[C@H]3C)cc2F)C[C@@H](C)O1	815163911	SKIVGJLPQKMNFU-CAOSSQGBSA-N	363.477	2.396	10	10	FECE	
Cc1cc(/C=C\C(=O)N2CC[C@H](CO)[C@H](O)C2)c(C)n1-c1ccccc1	588617028	OSPKYUIGDQBLHP-WDJFIJIBSA-N	354.450	2.309	10	10	FECE	
CC(=O)N1CCO[C@H](C(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)C1	827504336	DMDLHVZRRNJYNF-FQEVSTJZSA-N	369.465	2.266	10	10	FECE	
COc1ccc(CNC(=O)[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c(O)c1	907925256	FKRIFLIZBKVCQR-TZMCWYRMSA-N	350.415	2.178	10	10	FECE	
CN1CCCN(CCCNC(=O)c2cc3cc(O)c(O)cc3s2)CC1	900700400	RENUWQJBZLFFSV-UHFFFAOYSA-N	363.483	2.070	10	10	FECE	
C[C@@H]1COCC[C@H]1NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	838571197	KKCUAHNHYLCCOJ-MLGOLLRUSA-N	369.412	2.026	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)NC1CCC(N2CCNCC2)CC1	841823888	JDRZENKCKKKNQJ-UHFFFAOYSA-N	373.545	2.077	10	10	FECE	
Cc1nc([C@H]2CCCN2C(=O)C(=O)NCCc2ccc(N)cc2)cs1	842235805	JSNKTVUSRQKXRW-MRXNPFEDSA-N	358.467	2.056	10	10	FECE	
C[C@H]1CC2(CO1)CC(NCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)C2	924730892	UTLXTNUUWOOZLC-DLJUAYPPSA-N	357.498	2.436	10	10	FECE	
CS(=O)(=O)CC1(CCNC(=O)NCc2cc(Cl)ccc2O)CC1	852442036	WLSCQKUMNCHJEU-UHFFFAOYSA-N	360.863	2.060	10	10	FECE	
CCN(CCC(N)=O)C(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	928822753	SOIFCRPZTUNGDZ-UHFFFAOYSA-N	370.497	2.132	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCOc2ccc(O)cc2C1	852689487	CLSXEJXXXXQLAO-UHFFFAOYSA-N	369.465	2.311	10	10	FECE	
CC(C)CNC1(CO)CCN(Cc2ccc(N3CCOCC3)cc2)CC1	930625178	DCKZOBRXKNOWHF-UHFFFAOYSA-N	361.530	2.096	10	10	FECE	
Cc1cc(C(=O)CN2C[C@@H](CO)OC[C@H]2C)c(C)n1-c1ccc(F)cc1	766944069	GKFBNMDYKBXIAX-KDOFPFPSSA-N	360.429	2.498	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNCc3cn(C4CC4)cn3)cc2)C1	865423075	FLCWIJXLVDALMH-MRXNPFEDSA-N	353.470	2.210	10	10	FECE	
CC(C)C[C@]1(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CCNC1=O	864634678	MZIVBARZFLJMGT-OAQYLSRUSA-N	373.497	2.034	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CCOC12CCCCC2	1119729039	OCBHFMGISXALLJ-SFHVURJKSA-N	373.497	2.285	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)c(OC)c1	870166614	QKIYVXAIFLXYPR-QUCCMNQESA-N	360.454	2.312	10	10	FECE	
O=C(CNC(=O)Nc1ccccc1)NCc1ccc2cccnc2c1O	1142728205	OMGPCSHXPACRTL-UHFFFAOYSA-N	350.378	2.378	10	10	FECE	
COCCN(C(=O)Cc1ccc(O)c(O)c1)c1ccc(OC)c(OC)c1	1147178091	NVDBORGICVQCOR-UHFFFAOYSA-N	361.394	2.337	10	10	FECE	
O=C(NCc1c(O)cccc1F)N[C@@H]1CC(=O)N(c2ccccc2F)C1	1229112007	WBEZDTGRIMDWLD-LLVKDONJSA-N	361.348	2.275	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)N2CCC(CN=[N+]=[N-])CC2)C1	2124538835	OAMGHWBCYONLEE-KBPBESRZSA-N	367.450	2.153	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(CO)(CNCc2ccc(O)cc2O)CC1	2131720114	KFBHFIWYARAJLX-UHFFFAOYSA-N	366.458	2.197	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]2OCCN(Cc3cc(N)ccc3O)[C@@H]2C1	2129074327	CWWFJQSIXMLJKY-NVXWUHKLSA-N	363.458	2.185	10	10	FECE	
CSc1cccc(N2C[C@@H](C(=O)NCc3cccc(O)c3O)CC2=O)c1	1348036544	RXVNPGKQJYEBFA-ZDUSSCGKSA-N	372.446	2.489	10	10	FECE	
C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccc(N4CCC(O)CC4)cc3)CN2C1	1352444377	VQMWIEVSIGGQJV-POAQFYNOSA-N	371.525	2.384	10	10	FECE	
CCN1CCN(CCC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC1	1539469113	VNYSTZXRMQHJCI-UHFFFAOYSA-N	358.530	2.273	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)[C@H](O)CCc2ccccc2)N(C)C)cc1	1472280550	GFCQLQQLHINHHN-NHCUHLMSSA-N	369.509	2.465	10	10	FECE	
CN1C(=O)CN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1c1ccccc1	1616805023	UKJFGAZMNZIORV-MRXNPFEDSA-N	351.366	2.462	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)c2nnn(Cc3cc(C)on3)c2C)c1	1545684296	RGYLSDNMRGRBEF-NSHDSACASA-N	371.397	2.136	10	10	FECE	
C[C@@H](NC(=O)CSc1ccc(S(N)(=O)=O)cc1)c1ccccc1O	1557966627	KYQMSKMDAVHGNM-LLVKDONJSA-N	366.464	2.009	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1ccc(CN2C(=O)CCCC2=O)cc1	1556123511	PDDWYDTZEBOHGY-UHFFFAOYSA-N	368.389	2.318	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1	1633595480	YCUTXTZMFFXTLS-MRXNPFEDSA-N	366.417	2.256	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1n[nH]c2c1C[C@H](C)CC2	1639587937	MECMUPYYGGQFCN-CYBMUJFWSA-N	371.437	2.446	10	10	FECE	
CCOC(=O)[C@@](C)(CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1	1634184708	AKSYCLHGNXKXIH-FQEVSTJZSA-N	357.406	2.278	10	10	FECE	
c1cc(N2CCCC2)ccc1CNc1cnn(CCN2CCOCC2)c1	1661937428	VCPCEBGJHXJUDP-UHFFFAOYSA-N	355.486	2.428	10	10	FECE	
C[C@@H](COCC1CC1)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1682488663	IOHYDLFEBQBWFE-HNAYVOBHSA-N	362.518	2.470	10	10	FECE	
CCN[C@H]1C(=O)Nc2cc(N(CC)CCCO)c(Br)cc21	165219114	NXBVLZUQHQKPDW-CQSZACIVSA-N	356.264	2.261	10	10	FECE	
CCNC(=O)N1CC[C@@H](NC(=O)c2cc(C)n(-c3ccccn3)c2C)C1	154687216	QSOCYCYSOJPECA-OAHLLOKOSA-N	355.442	2.023	10	10	FECE	
Cc1cc(O)ccc1NS(=O)(=O)c1cc(CO)oc1Br	2157764211	IFXJKXNXMLVJFA-UHFFFAOYSA-N	362.201	2.349	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CNCC[C@]1(O)CCOC1	708098259	GHLJRZNJNKPBGY-ZDUSSCGKSA-N	350.640	2.439	10	10	FECE	
CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H](C(=O)C(=O)C[C@H]3C[C@H](N)C3)[C@@H]21	2049784449	LUFCXLWSUAYMDX-RIQILIMLSA-N	350.459	2.288	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)NCCCCN=[N+]=[N-]	2060609921	BDEBWWMRQABVMT-OLZOCXBDSA-N	355.439	2.465	10	10	FECE	
C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1c1cc2c(cc1N)OCCO2	2106847711	YUVCFTZPGMTECU-GXSJLCMTSA-N	359.348	2.076	10	10	FECE	
CN1CCN(C(=O)C2=C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c2ccccc21	2200998323	KCXFUSXPCHAYSW-RHSMWYFYSA-N	373.453	2.054	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@]12COCCN(CCCCN=[N+]=[N-])C2	2117996433	PMMVYFBZRSLIKQ-QGZVFWFLSA-N	369.466	2.415	10	10	FECE	
CN(C)C(=O)c1cccc(CCNC(=O)C=Cc2ccc(O)c(O)c2)c1	2307988020	YDWTWQHHIQBVOJ-UHFFFAOYSA-N	354.406	2.172	10	10	FECE	
CC(C)Oc1ccc(Br)cc1C=C1C(=O)NC(=O)N(C)C1=O	2313548386	UXASWBFAPOFFLO-UHFFFAOYSA-N	367.199	2.328	10	10	FECE	
CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccc(N(C)C)cc1	109137345	BBHHRDOWHQTIPB-IBGZPJMESA-N	368.481	2.251	10	10	FECE	
CN(C)c1ccc(CNC(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1	172696991	WFGWNUHYRWLNHB-UHFFFAOYSA-N	366.465	2.316	10	10	FECE	
CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc(N3CCOCC3)cc2)C1	190157698	KDICTWLDCFKXPE-ROUUACIJSA-N	358.442	2.177	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)N[C@@H]1CCNC12CCC2	529353596	XYLMKOVQPYWKAT-CYBMUJFWSA-N	354.248	2.239	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)NCCCOC[C@H]1CCOC1	255757241	UCRVXTCTEQJTKO-BQHGXPCASA-N	374.481	2.096	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCN1c1ncnc2ccccc12	370368884	YCEXFFGQMGCLMI-MRXNPFEDSA-N	364.405	2.326	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCOC[C@@H]1CC(F)F	287343381	XUCCQKXILNUMRM-INIZCTEOSA-N	369.412	2.089	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCO[C@@]2(CCCOC2)C1	287618010	ZYHQGANECHXDPP-FQEVSTJZSA-N	357.454	2.154	10	10	FECE	
COc1cccnc1CC(=O)NCc1cc(Br)ccc1O	804734383	CUABMWHOMOQXEE-UHFFFAOYSA-N	351.200	2.417	10	10	FECE	
COC1CCC(CNC(=O)C(=O)NCCCSc2nccs2)CC1	806280326	NBIWKDXMSZALMU-UHFFFAOYSA-N	371.528	2.063	10	10	FECE	
O=C(CN1C(=O)Cc2ccccc21)NCc1c(O)ccc2c1CCCC2	816938942	OQJUTKTUVZKFSH-UHFFFAOYSA-N	350.418	2.477	10	10	FECE	
CN(Cc1ccc(S(=O)(=O)N(C)C)s1)c1ccc2c(c1)OCO2	822780699	RCSZMLAPPKQBTN-UHFFFAOYSA-N	354.453	2.364	10	10	FECE	
Cc1cc(CCNC(=O)C(=O)c2cnn(C)c2)c(C)n1-c1ccccc1	726767872	MLRGOZXOHJKKEE-UHFFFAOYSA-N	350.422	2.369	10	10	FECE	
CN1CCC(CNC(=O)/C=C\c2ccc(O)c(O)c2)(N2CCCCC2)CC1	588406620	QSEQYMRXLQDXNW-VURMDHGXSA-N	373.497	2.178	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@H]3CC[C@H](C4CC4)N3)cc2F)CC1	846673773	FCFIHMQDHMPCHZ-RTBURBONSA-N	374.504	2.114	10	10	FECE	
O=[N+]([O-])c1c[nH]ccc1=NCc1cc(F)c(N2CCOCC2)c(F)c1	840325496	GKKIFQSOTWGFKZ-UHFFFAOYSA-N	350.325	2.139	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(CCN(C)C)C(=O)C1	846357072	OEXSWVGAQSFMKR-UHFFFAOYSA-N	374.510	2.002	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H](O)CCc3ccccc3)C2)cc1	855232968	CYRJYTLUWSIDOK-XLIONFOSSA-N	354.450	2.384	10	10	FECE	
COC/C(C)=C\C(=O)NCc1cc(NC(=O)/C=C(\C)COC)ccc1O	923118097	GISQJRGSOMVJTF-MFUUIURDSA-N	362.426	2.132	10	10	FECE	
C[C@@H](N[C@H](CO)c1ccnn1C)c1cc(Br)cc(F)c1O	858434412	GKDWCTWRNGGTQE-PRHODGIISA-N	358.211	2.412	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N[C@@H]3C[C@H](C)n4ncnc43)CC2)cc1	852475168	GCBUCOSTUNSWRH-SUMWQHHRSA-N	370.457	2.261	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H](C)N(C4CC4)C3)C2)cc1	852195837	LCLWUNZPKNTNEA-JYJNAYRXSA-N	358.486	2.198	10	10	FECE	
COCc1n[nH]c(CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)n1	850514953	SNHWXFSVUWPYSN-GFCCVEGCSA-N	365.865	2.292	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCN(C(C)=O)C[C@@H]2C)cc1F	763609497	GNBUOAOJANTEPC-AWEZNQCLSA-N	364.465	2.434	10	10	FECE	
C[C@H](NC(=O)C(=O)NC1C[C@@H]2[C@@H](C1)C2(F)F)c1ccc(N(C)C)cc1	1118631902	QASDJPXWJNEXCP-COLVAYQJSA-N	351.397	2.090	10	10	FECE	
C[C@@H]1C[C@]2(CC[C@@H](CNCc3ccc(N4CCN(C)CC4)cc3)O2)CO1	886331209	CFAWNAWKKCKXGG-JRGCBEDISA-N	359.514	2.255	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CC(c3cnn(C)c3)=NO2)cc1	1135735471	PXVYPOABBVWUPV-LJQANCHMSA-N	369.469	2.418	10	10	FECE	
COc1cc(N)c(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc1OC	711793871	HDMAVVIWKHILIY-OAQYLSRUSA-N	371.481	2.359	10	10	FECE	
CCc1ccc(N(CC(C)C)C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1	794128654	WXCXXSGMSIMPQP-FMIVXFBMSA-N	369.465	2.349	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1	1147082000	OMORTLRSGAZDOZ-ZDUSSCGKSA-N	350.415	2.156	10	10	FECE	
CS(=O)(=O)c1ccc(/C=C/C(=O)NCc2cc(Cl)ccc2O)o1	1165508415	NXJKAXNNEBPFPW-ZZXKWVIFSA-N	355.799	2.372	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC[C@H](N=[N+]=[N-])CC2)CC1	2124534377	SJQBREGDYASNIO-AWEZNQCLSA-N	366.466	2.231	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)C1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1	2124540859	MHXYUCSPHGABKN-UHFFFAOYSA-N	369.422	2.247	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](NCc3ccc(F)c(F)c3O)[C@H]2C1	2121658734	WPBRLRAZPOOFEE-XBFCOCLRSA-N	370.396	2.394	10	10	FECE	
CN(C(=O)C1=CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(C(=O)O)cn1	2131036891	CLGOCJNHWJNNLH-ZDUSSCGKSA-N	361.398	2.356	10	10	FECE	
Nc1ccc(OCC(=O)N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)cc1	2131208784	LKNPLGSQZMHGMZ-HKUYNNGSSA-N	351.450	2.381	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)CC1(C)C	2132393674	ZCMZPBIDRBRUIT-NSHDSACASA-N	366.414	2.321	10	10	FECE	
C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cc1ccc(O)c(O)c1	1441017450	RNXZSXFBNSSQHQ-LBPRGKRZSA-N	363.435	2.263	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1	1452435889	HRAVEJZGDLNAMM-LSDHHAIUSA-N	360.414	2.289	10	10	FECE	
CN1CCN(c2ccnc(NC(=O)c3ccc(N=NC(N)=O)cc3)c2)CC1	1631882450	JMEQVNRXVUCBBS-UHFFFAOYSA-N	367.413	2.248	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)c1cccc(CNc2ccncn2)c1	1566358286	ABCMZOUKJRMUSP-UHFFFAOYSA-N	350.378	2.430	10	10	FECE	
COc1cc(Br)c(N)c(C(=O)NCc2ccc(O)cc2O)c1	1643104179	OVUDXCUJYJGGJZ-UHFFFAOYSA-N	367.199	2.381	10	10	FECE	
Cc1nnc(N2CCSC[C@@H]2C)n1Cc1ccc(N2CCOCC2)cc1	1742858647	WNGOJPHYTSOXEJ-HNNXBMFYSA-N	373.526	2.413	10	10	FECE	
C[C@@H](NC[C@@H](O)CN1CCCCC1)c1ccc(N2CCOCC2)c(F)c1	151342248	KKTDPVNCNLFEHP-SJLPKXTDSA-N	365.493	2.160	10	10	FECE	
Cc1cccc(CNC(=O)[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)O2)c1O	2139740827	DEHPFECDWBJMGL-HUUCEWRRSA-N	364.442	2.389	10	10	FECE	
O=C(N[C@H]1COCC[C@@H]1NCc1ccc(O)c(O)c1)OCc1ccccc1	1943954468	IAEPNFIAFQOQLQ-IRXDYDNUSA-N	372.421	2.271	10	10	FECE	
C[C@H](O)c1ccc(N2CC[C@H](CS(C)(=O)=O)C2)c(Br)c1	2143672059	MFLWTSWXCNBXJA-QWRGUYRKSA-N	362.289	2.373	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@H](O)[C@@H](F)C3)ccc(N)c2C1	2031869455	FSZVQKCEBXKTBF-BBRMVZONSA-N	351.422	2.081	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(NCc2ccc(O)c(O)c2O)C1	2033965616	BEBDQRRQKQMIDR-KPZWWZAWSA-N	350.415	2.293	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)C1(NC(=O)OC(C)(C)C)COC1	2060227265	KTKQOTFJVGIPKF-LBPRGKRZSA-N	350.415	2.205	10	10	FECE	
CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1[C@H](O)[C@H](N)c1ccccc1O	2076985435	XHEQFUMSDOUKRF-YUTCNCBUSA-N	358.385	2.398	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@]12COCCN(CCCCN=[N+]=[N-])C2	2117996432	PMMVYFBZRSLIKQ-KRWDZBQOSA-N	369.466	2.415	10	10	FECE	
CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)N[C@@H]3CCC[C@@H]3N=[N+]=[N-])(C1)C2	2254819025	TZJLHVHCNYMGLN-OXUXUCFPSA-N	351.407	2.160	10	10	FECE	
CC[C@H](C)N1C(=O)C(=CNc2cc(OC)ccc2OC)C(=O)NC1=S	2296944636	BKUIQXQNHLKIHX-JTQLQIEISA-N	363.439	2.041	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)C=Cc3cccnc3)cc2)CC1	2311121841	OTHICBZATRHKEC-UHFFFAOYSA-N	364.449	2.080	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CCO[C@H]2C[C@@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2331228101	IDFTWZSDDAKGLN-RQJABVFESA-N	365.434	2.312	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1	186410455	PQZJPTWLZIDXRA-YOEHRIQHSA-N	368.433	2.450	10	10	FECE	
[N-]=[N+]=NCCCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21	252485971	HGHJIFNOKMTXHY-DYEKYZERSA-N	354.480	2.309	10	10	FECE	
CCn1cc([C@@H]2CN(C(=O)NCc3ccc(N(C)C)cc3)CCO2)cn1	190549780	WCZYBHCXWQMYJB-SFHVURJKSA-N	357.458	2.252	10	10	FECE	
C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(S(N)(=O)=O)cc1	91312999	WUYGZWFAGAPJJL-GFCCVEGCSA-N	351.447	2.390	10	10	FECE	
CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)NCc1ccc(N2CC=CC2)cc1	285649707	ZQIXAUHKANFSLN-WMZOPIPTSA-N	361.486	2.020	10	10	FECE	
Cc1ccc(CNC(=O)[C@H]2CNCCSC2)c(O)c1Br	2381146888	NZTASXZEPMTWCU-NSHDSACASA-N	359.289	2.032	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN3CCCC[C@@H]3C(F)F)CC2)cc1	800444421	DEULHUSCUXBGII-QGZVFWFLSA-N	367.440	2.463	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C[C@@H]2CCCS(=O)(=O)C2)cc1	293011123	HLQKLAGTYJHCGK-INIZCTEOSA-N	352.500	2.364	10	10	FECE	
COC1CCN(c2ccc(CN3CCC[C@H](c4nc(=O)[nH][nH]4)C3)cc2)CC1	295220099	QWCCKXVEAARCNT-INIZCTEOSA-N	371.485	2.093	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCC[C@H](CCF)C1	828497000	NYCVXZHUIZQVKV-QGZVFWFLSA-N	359.445	2.277	10	10	FECE	
COC(=O)c1cn([C@H]2CCN(Cc3c(O)cc(C)cc3Cl)C2)nn1	840938814	HJIKPTRAYSLTRO-NSHDSACASA-N	350.806	2.179	10	10	FECE	
Nc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1	841030331	FEAMFOBYRHJZMV-OAHLLOKOSA-N	353.378	2.300	10	10	FECE	
C[C@H](NC(c1ccnn1C)c1ccnn1C)c1cc([N+](=O)[O-])ccc1O	858584168	PGWBETOCTWOMNY-NSHDSACASA-N	356.386	2.208	10	10	FECE	
C[C@@]1(Br)C[C@@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	858625994	JJGXWOYVWJUVQN-MLGOLLRUSA-N	371.250	2.452	10	10	FECE	
COc1cccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)n1	853572176	QAISCMJECYPSBA-UHFFFAOYSA-N	370.453	2.051	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCCC3CCN(C)CC3)C2)cc1	852189090	VVGYOHCLJSAHSJ-QGZVFWFLSA-N	360.502	2.305	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@H](O[C@@H](N)Cc2ccc(O)c(O)c2)C1	1952757591	AADHBPIDYNPPMN-CZUORRHYSA-N	352.431	2.341	10	10	FECE	
CN1C2(CCC2)COC[C@@]1(CO)CNCc1ccc(N2CCCCC2)cc1	858222533	RGKKZRGZGSCLMN-QFIPXVFZSA-N	373.541	2.382	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCN1C(C)(C)C	850626527	YGOVKNRQQJGOJE-MRXNPFEDSA-N	361.486	2.120	10	10	FECE	
COc1nc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)co1	858625773	BKIUJUPXPFSMMD-TXEJJXNPSA-N	363.389	2.366	10	10	FECE	
CNC(=O)CCOc1ccc(NC(=O)N2Cc3cccc(O)c3C2)cc1	930235976	GLIRHDIDYDYUMW-UHFFFAOYSA-N	355.394	2.455	10	10	FECE	
COCC1(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CC1	778944311	SSQXBZLGRWOZCP-UHFFFAOYSA-N	357.498	2.261	10	10	FECE	
Cc1cccc(CN2CC(S(=O)(=O)N3CCc4ccccc43)C2)c1O	779624710	QYBLDVLZUQEHHI-UHFFFAOYSA-N	358.463	2.277	10	10	FECE	
CN(C(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)c1ccc(N)cc1	877078194	HMWULTCPBSZDGV-CQSZACIVSA-N	365.480	2.146	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)CO1	2124505193	IVDTUKWCHZPGKD-MJBXVCDLSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1	2124541098	OOFIAIZUPIJSNR-OGHNNQOOSA-N	365.434	2.029	10	10	FECE	
C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1	2132348086	DPWKUPOSTOLKBQ-BBRMVZONSA-N	356.422	2.301	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)c2cc(O)c(O)c(O)c2)C1	2132392681	KLOCARNOFICDHX-GOSISDBHSA-N	366.414	2.180	10	10	FECE	
C[C@H]1C[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)CN1C(=O)OC(C)(C)C	2132406539	IWVFSGXTSVLTSZ-QWRGUYRKSA-N	366.414	2.179	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc([N+](=O)[O-])cc1O	1299699472	RPEDSEHOFOILJN-UHFFFAOYSA-N	374.349	2.212	10	10	FECE	
O=C(NCc1c(O)cccc1O)C1(OCc2ccccc2)CCOCC1	1456233700	FEIZCTZJGUBVCZ-UHFFFAOYSA-N	357.406	2.480	10	10	FECE	
CCOc1ccccc1C(=O)NCCCC(=O)NCc1cccc(O)c1O	1455321564	ZYTGZFXEEURQDE-UHFFFAOYSA-N	372.421	2.323	10	10	FECE	
COc1ccc(N(C)C(=O)C2=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C2)cc1	2136291181	VEIYUPDRBZABPB-CVEARBPZSA-N	362.426	2.242	10	10	FECE	
Cc1c[nH]c(CC(N)=O)c1C(=O)N(C)c1ccc2c(C)cc(=O)oc2c1	1568738031	XQFDLKDSYGJHSX-UHFFFAOYSA-N	353.378	2.042	10	10	FECE	
CC[C@@]1(CO)CCCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1638917127	DQPVBTMOXVPIDI-ICSRJNTNSA-N	362.518	2.302	10	10	FECE	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NCCN3CCNC3=O)c2C)c1	1652068855	ZMZWNXUIBDTOBH-UHFFFAOYSA-N	354.454	2.466	10	10	FECE	
COCCOC[C@@H]1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1	1772833514	JTCDDZUJRMCAHH-ZDTYVGOBSA-N	364.398	2.270	10	10	FECE	
COCCN1CCC[C@H]1CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	163443941	UCNBUNZJJGMDOY-AEFFLSMTSA-N	365.493	2.424	10	10	FECE	
CC(C)(C)OC(=O)NC1CC(C(=O)NCCc2ccc(O)c(O)c2)C1	1962850854	XHIQHNMYXXJCLY-UHFFFAOYSA-N	350.415	2.060	10	10	FECE	
CC[C@@H](NCCN(C)S(C)(=O)=O)c1cc(Br)ccc1O	692422704	KIQNNGVVLCDJMC-GFCCVEGCSA-N	365.293	2.087	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(N=[N+]=[N-])CC1)[C@@H]1CCOC1	2060620523	BIXSAKOZAUAYMF-YPMHNXCESA-N	353.423	2.218	10	10	FECE	
CCOC1(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)CN(C(=O)OC(C)(C)C)C1	2060616022	VKXSCXLMIBPSFD-LBPRGKRZSA-N	353.423	2.314	10	10	FECE	
COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CN=[N+]=[N-])CC1	2060632722	FDENPOJZXHJODU-CYBMUJFWSA-N	355.439	2.465	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)N(C)CCCN=[N+]=[N-]	2060611528	VHDMJGOMHQKFKZ-CHWSQXEVSA-N	355.439	2.417	10	10	FECE	
CC[C@@H](CN(C)C(=O)c1cc(O)c(O)c(O)c1)NC(=O)OC(C)(C)C	2068622219	VGXADAYJUHGORD-NSHDSACASA-N	354.403	2.179	10	10	FECE	
Cc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c(O)c1	2084072352	SQYWEOJGACJBDN-CVEARBPZSA-N	350.459	2.408	10	10	FECE	
COC[C@H](CC(=O)NCc1cccc(C)c1O)NC(=O)OC(C)(C)C	2084065462	XQRPWALGWFOCJI-AWEZNQCLSA-N	352.431	2.247	10	10	FECE	
C[C@@H]1CN(CC(=O)N(C)c2ccc(N)cc2)C[C@H]1NC(=O)OC(C)(C)C	2106661475	DKRYKJRKGMRAOA-CZUORRHYSA-N	362.474	2.077	10	10	FECE	
CN(C(=O)CN(C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N)cc1	2106666503	MGENXVCUZBQSOP-MRXNPFEDSA-N	362.474	2.173	10	10	FECE	
CCN(C[C@@H](O)COc1ccc(N)cc1)C[C@@H](C)NC(=O)OC(C)(C)C	2106760680	QPCRJZULNHVNPB-GDBMZVCRSA-N	367.490	2.244	10	10	FECE	
COc1ccc(N2CCOCCC23CN(C(=O)OC(C)(C)C)C3)c(N)c1	2111342099	WGUUOMAMPGKHAF-UHFFFAOYSA-N	363.458	2.494	10	10	FECE	
[N-]=[N+]=N[C@@H]1CCN(S(=O)(=O)Cc2ncsc2Br)C1	2219000570	FOTSVPFVXSBZQF-ZCFIWIBFSA-N	352.239	2.120	10	10	FECE	
Cn1cccc1C=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	2296374237	FGEDDUJAJBHVFZ-UHFFFAOYSA-N	374.194	2.454	10	10	FECE	
CCN1CCC[C@@H]1CN(C)C(=O)C=Cc1ccc(N2CCOCC2)cc1	2297760199	YENAVZUGRYUNME-HXUWFJFHSA-N	357.498	2.479	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@]1(COC)CCN(C(=O)OC(C)(C)C)C1	2315992748	QVPFWISRQYWGDB-INIZCTEOSA-N	355.439	2.419	10	10	FECE	
COc1ccc(OC)c([C@@H]2CC(=O)NC(NC(=O)c3cccc(F)c3)=N2)c1	6870793	ZQVPEYIDKOWCCG-HNNXBMFYSA-N	371.368	2.190	10	10	FECE	
Cc1ccc(C(=O)O)cc1N/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O	104973775	HKBDQKWPVYIXSB-GXDHUFHOSA-N	365.345	2.272	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CC(=O)N[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1	301645058	OZMKPZXWCXOFKU-BIYBCCJYSA-N	359.382	2.028	10	10	FECE	
COCCCN1C(=O)/C(=C/c2cccc(OC)c2O)C(C(=O)OC)=C1C	33930911	IKOMBYHMIVFOJJ-SDNWHVSQSA-N	361.394	2.110	10	10	FECE	
Nc1ccc(OCCNS(=O)(=O)c2ccccc2Br)cc1	38079627	QYUHEEFGTCRXPJ-UHFFFAOYSA-N	371.256	2.389	10	10	FECE	
Cc1nc(C)c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)nc1C	184296517	ZWNYESLVMANOAQ-UHFFFAOYSA-N	372.444	2.432	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3CCCc4[nH]ncc43)CC2)cc1F	134490466	HJOCWGWAGAHBIT-AWEZNQCLSA-N	358.417	2.326	10	10	FECE	
CN(C)S(=O)(=O)[C@H]1CCCN(Cc2c(O)ccc(Cl)c2F)C1	368045092	UYCBONMNNSNWJI-JTQLQIEISA-N	350.843	2.041	10	10	FECE	
Cn1nccc1CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	277560020	INTXFLDXMWOJAY-CYBMUJFWSA-N	364.396	2.349	10	10	FECE	
Cc1ccc(CNC(=O)C[C@@H](N)C(F)(F)F)c(O)c1Br	2380758282	UYOCODPQBIIXPA-MRVPVSSYSA-N	355.154	2.359	10	10	FECE	
O=C1CN(Cc2ccccc2O)C(=O)N1C1CCN(c2ccccn2)CC1	819163880	BMUPYNXMHXZPCV-UHFFFAOYSA-N	366.421	2.220	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCc2nc[nH]c2C1	819974517	NFQHMGUANMBTSB-MRXNPFEDSA-N	354.454	2.010	10	10	FECE	
Cc1ccn(CC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1	827685045	HPCGJYHVYCPRHD-UHFFFAOYSA-N	367.497	2.040	10	10	FECE	
O=C(O)/C=C\c1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)o1	911229215	XDQWIFHLFXDYDY-UTCJRWHESA-N	374.368	2.283	10	10	FECE	
COc1cccc(O)c1CNc1ccc([C@]2(C)NC(=O)N(C)C2=O)cc1	848561713	CBYZOJMFRNXUGV-IBGZPJMESA-N	355.394	2.410	10	10	FECE	
COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1	753523342	XGIJGCZKHCUKOC-UHFFFAOYSA-N	370.314	2.027	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)C2)cc1	855225386	MNNHJQWFQXBHPM-NSHDSACASA-N	374.372	2.333	10	10	FECE	
Cn1nccc1[C@@H](O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	922973495	PGKCGTNOIUKKQB-SFHVURJKSA-N	359.430	2.142	10	10	FECE	
C[C@H]1C[C@H](NC(=O)NCc2cccc(Br)c2O)c2ncnn21	852476521	IZAFWUALYIGQDY-KWQFWETISA-N	366.219	2.251	10	10	FECE	
COc1cccc([C@@H](C)NC[C@H]2CN(Cc3ccncc3)CCO2)c1O	858564862	WUBKMQLVPGFMOB-WBVHZDCISA-N	357.454	2.347	10	10	FECE	
C[C@]1(C(F)(F)F)CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCO1	866158158	NSMJJPICLLWBEC-CYBMUJFWSA-N	361.276	2.083	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CCC(=O)NCc2ccc(O)c(O)c2)C1	860243347	KRETWNZRYCHPIA-UHFFFAOYSA-N	350.415	2.361	10	10	FECE	
C[C@@H](NC(=O)NCCC1CCS(=O)(=O)CC1)c1ccc(N(C)C)cc1	773432346	VCYHEFRCQXSGMH-CQSZACIVSA-N	367.515	2.328	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1cc(C2CC2)no1	898613281	ZQQDWIWWNWJHBL-UHFFFAOYSA-N	370.453	2.283	10	10	FECE	
CN(C)CCCOC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O	791493865	JSGMNYXFAXDIMM-UHFFFAOYSA-N	352.390	2.153	10	10	FECE	
CN1CCN(c2ccc(CN3CCOC[C@H]3CC(F)F)cc2F)CC1	1323782065	SQLRAXRKSWLODE-OAHLLOKOSA-N	357.420	2.434	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2CC(C)(C)CO2)N(C)C)cc1	1248448456	HPWHQJPARODIII-ZWKOTPCHSA-N	362.518	2.470	10	10	FECE	
C[C@H]1COCC[C@@H]1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	1261118810	BILMXEUXNOWBDZ-YOEHRIQHSA-N	372.421	2.055	10	10	FECE	
CCc1ccccc1-n1cc(C(=O)NCCc2ccc(O)c(O)c2)nn1	1445937391	KMLAMOWBKVDIRV-UHFFFAOYSA-N	352.394	2.213	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3ncnc4ccsc34)cc2)CC1	1536532153	LPEVAIIVJNELBM-UHFFFAOYSA-N	367.478	2.373	10	10	FECE	
C[C@H](NCc1ccc(O)cc1O)C1(O)CCN(C(=O)OC(C)(C)C)CC1	1918978112	QLNLTKDLFCKKNY-ZDUSSCGKSA-N	366.458	2.338	10	10	FECE	
Cc1cc(CCNC(=O)NCCN2CC[C@H](O)C2)c(C)n1-c1ccccc1	1479063179	BUCZJYBSNSSRMM-FQEVSTJZSA-N	370.497	2.002	10	10	FECE	
Nc1ccc(NC(=O)C[S@](=O)c2cncc(Br)c2)cc1	1921682790	CWODUJYPZLYGDB-FQEVSTJZSA-N	354.229	2.173	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NC1CCN(C(=O)Nc2ccccc2)CC1	1623707655	GNLJBVPPPCAUSQ-UHFFFAOYSA-N	369.421	2.453	10	10	FECE	
CCOC(=O)COc1ccccc1/C=C1\C(=O)NN(c2ccccc2)C1=O	1203899	SURQSSGISXTSEU-FOWTUZBSSA-N	366.373	2.090	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCN([S@](C)(=N)=O)CC2)cc1	1633978219	WPNZDWRQEFDAON-VWLOTQADSA-N	360.483	2.444	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)/C=C\[C@H]3COC(C)(C)O3)C2)cc1	1630618695	DXULSXLKEBDAEJ-MMARLYJUSA-N	360.454	2.345	10	10	FECE	
CCOC(Cn1ncc(C(=O)N[C@H](C)c2ccccc2O)c1N)OCC	1643738683	MAPFGHDREMWICJ-GFCCVEGCSA-N	362.430	2.061	10	10	FECE	
CCON(CC)C(=O)CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1	1684031458	IWBFPWDQLGOEKG-UHFFFAOYSA-N	362.474	2.228	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H](N)Cc3ccc(F)cc3)CC2)cc1	1866337927	JCUMRLSLJOZJMZ-LJQANCHMSA-N	357.429	2.053	10	10	FECE	
C[C@H](O)c1ccc(N2CC[C@@H](CS(C)(=O)=O)C2)c(Br)c1	2143672060	MFLWTSWXCNBXJA-WDEREUQCSA-N	362.289	2.373	10	10	FECE	
CN[C@H](C)c1ccc(N(C)[C@H]2CCS(=O)(=O)C2)cc1Br	300520655	VYOZRRLXHYFPHZ-PWSUYJOCSA-N	361.305	2.353	10	10	FECE	
COc1ccc(CNCCN2CCN(C(=O)OC(C)(C)C)CC2)c(O)c1	378885083	LIKZVQUFSYRWPV-UHFFFAOYSA-N	365.474	2.043	10	10	FECE	
C[C@H](CN(C)CCC(=O)Nc1ccc(N)cc1)NC(=O)OC(C)(C)C	2044598235	PYTHERVFFVOKNR-CYBMUJFWSA-N	350.463	2.442	10	10	FECE	
CN(C)c1ccc([C@H](N)c2cnn(C)c2I)cc1	2044717640	GFQVHLIOLVSNEX-LBPRGKRZSA-N	356.211	2.139	10	10	FECE	
CC(C)(C)OC(=O)N1CCSC[C@H](NC(=O)c2cccc(O)c2O)C1	2054410922	SBAARFXIDLDSMK-LLVKDONJSA-N	368.455	2.180	10	10	FECE	
COc1cccc(O)c1CN[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC	2058676653	OXIRFGHTXBJEBJ-XJKSGUPXSA-N	352.431	2.125	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)NCCCCN=[N+]=[N-])C[C@H]2OCC[C@@H]21	2060622355	YXPKYONZKCACNP-RWMBFGLXSA-N	353.423	2.360	10	10	FECE	
CC[C@](COC)(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2060639466	IEXAXFYOLSUKET-MLGOLLRUSA-N	355.439	2.465	10	10	FECE	
CN(C(=O)OC(C)(C)C)C1(CNS(=O)(=O)Cc2ccc(N)cc2)CC1	2068531274	JDWIXJWLFVJUMM-UHFFFAOYSA-N	369.487	2.088	10	10	FECE	
COC1(C(=O)N[C@H](C)c2ccccc2O)CN(C(=O)OC(C)(C)C)C1	2072481757	KPKCVRIHLNYJFO-GFCCVEGCSA-N	350.415	2.205	10	10	FECE	
C[C@@H](NS(=O)(=O)N1CC(OCc2ccccc2)C1)c1ccccc1O	2072486483	NBALUROQKFLPRT-CQSZACIVSA-N	362.451	2.189	10	10	FECE	
COc1ccc([C@@H](C)NCCC2(O)CN(C(=O)OC(C)(C)C)C2)c(O)c1	2087529602	CLMPSRYPTVIXGI-CYBMUJFWSA-N	366.458	2.423	10	10	FECE	
CN(C[C@]1(O)CCCN(Cc2ccccc2)C1)C(=O)c1ccc(O)c(O)c1	2286411545	SGFNRBPSFCWDNM-OAQYLSRUSA-N	370.449	2.197	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](CNCc2ccc(F)cc2O)N2CC[C@H]1C2	2342844256	UUXJDNDPYAELNZ-JKSUJKDBSA-N	365.449	2.315	10	10	FECE	
O=C(O)CCCCCNC1=NC(=O)/C(=C/c2ccc(O)cc2O)S1	6888753	JRYVYDWYCSRRRM-JYRVWZFOSA-N	350.396	2.303	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCCN2CCOC)cc1	171903041	YVOOYFXSUATHDM-LJQANCHMSA-N	362.518	2.443	10	10	FECE	
COc1cc(N2CCN(Cc3nc(C4CC4)n[nH]3)CC2)cc(OC)c1OC	183700292	WPNVKXLUMNNFCT-UHFFFAOYSA-N	373.457	2.030	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(-c2ncon2)c1	77727682	HYCXGESJCBACJD-UHFFFAOYSA-N	352.350	2.039	10	10	FECE	
CNC(=O)c1ccc(/C=C/C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1	183457111	GZYMQVSZPZGVGW-BCRSCGJKSA-N	354.406	2.218	10	10	FECE	
Cc1nc2n(n1)CCC[C@H]2NC(=O)/C=C\c1ccc(N2CCOCC2)cc1	255001069	XMSXNBJZLADNGZ-OTIVFRFGSA-N	367.453	2.088	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)CCC[C@H]1CCOC1	645572514	VPLYDQCTLSNXGD-AWEZNQCLSA-N	354.472	2.098	10	10	FECE	
COc1cc(Br)cc(CN2CC[C@@H](Cn3ccnn3)C2)c1O	826845338	JARVFBCKJURKKE-LLVKDONJSA-N	367.247	2.277	10	10	FECE	
COCCOc1cccc(CNC(=O)NCc2cc(OC)ccc2O)c1	734067184	WTVLGYMINVAXFZ-UHFFFAOYSA-N	360.410	2.425	10	10	FECE	
Cn1cnnc1[C@@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1	900180888	VMHZLPARKGZBIJ-SNVBAGLBSA-N	358.423	2.461	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NCC(=O)NCC2CC2)c1O	848544341	QFRMUCPTILCBRP-SECBINFHSA-N	357.248	2.340	10	10	FECE	
CC[C@H](C)NC(=O)CN1CCN(Cc2c(O)cc(C)cc2Cl)CC1	840909992	JHRWJSYEMAMEST-AWEZNQCLSA-N	353.894	2.386	10	10	FECE	
Cc1cc(O)c(CN2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c(Cl)c1	840946636	DASVZFGMALVSSD-DIFFPNOSSA-N	351.834	2.307	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1coc(S(C)(=O)=O)c1	844580401	ISEDJQAHBGQQPE-CYBMUJFWSA-N	364.467	2.419	10	10	FECE	
CN(C)C(=O)[C@@H]1CCCN1CCCNCc1cc(F)c(N(C)C)cc1F	858120308	BSPHOHDJJYYRBY-KRWDZBQOSA-N	368.472	2.063	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H](C)c3cn[nH]c3)CC2)c(OC)c1	868446288	DQGHERDNINFKMX-CYBMUJFWSA-N	359.430	2.020	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)CCCCC(N)=O)cc2F)C[C@@H](C)O1	779607272	PGTIZHUPOKKBPC-OKILXGFUSA-N	365.449	2.101	10	10	FECE	
CC[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCCOC1	897485991	MSQHRZUJDFQQRE-HKUYNNGSSA-N	373.497	2.224	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@]1(C)C[C@H]2CC[C@H]1O2	791546529	AVQUEHVNUGLQFK-MBOZVWFJSA-N	360.454	2.212	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)c1cnc(F)c(Br)c1	1150488933	YNRCPXFALKTGQP-UHFFFAOYSA-N	355.163	2.367	10	10	FECE	
Cc1c(NC(=O)/C=C/c2ccc(O)c(O)c2)nnn1Cc1ccncc1	1159374347	MXSHDLLBJIFONE-HWKANZROSA-N	351.366	2.093	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@]1(NC(=O)OC(C)(C)C)[C@@H]2CCO[C@H]2C1(C)C	2124514761	ZEHCDHVBZNGMEO-PSTGCABASA-N	367.450	2.464	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2NC(=O)c1ccc(O)c(O)c1	2118185037	BIFVQYJVETZBIH-OCZCAGDBSA-N	362.426	2.473	10	10	FECE	
Oc1ccc(CCNc2ncnc3c2nnn3Cc2ccccc2)cc1O	1458232136	NBUCRTFPVHEJIH-UHFFFAOYSA-N	362.393	2.335	10	10	FECE	
CN(C)C(=O)Cn1c(C2CCCC2)nnc1N(C)Cc1ccccc1O	1298003454	IBBKZHGOLFDFHD-UHFFFAOYSA-N	357.458	2.366	10	10	FECE	
COC(=O)C1(O)CN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)C1	1455085109	OUQVPKFMQXNLAB-UHFFFAOYSA-N	362.813	2.107	10	10	FECE	
COc1ccc(C)cc1N1C[C@@H](C(=O)NCc2cccc(O)c2O)CC1=O	1520501809	PAVVBLYQUOYGNZ-AWEZNQCLSA-N	370.405	2.084	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCCN(C(=O)Oc2ccccc2)CC1	1626313872	RHHVZRPLFJGEHD-UHFFFAOYSA-N	370.405	2.374	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)NCc2ccc3cccnc3c2O)c1	1638573415	WCWQQAHNPIJBID-DAXSKMNVSA-N	362.389	2.025	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CCCO1	1632680909	IFCHKWHRRSQNQQ-HXPMCKFVSA-N	365.426	2.036	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1	1587087991	JJTPYISONQLNIA-UHFFFAOYSA-N	365.393	2.447	10	10	FECE	
COc1cc(C)cnc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1	1596522685	AGXMBCALTCKEMJ-UHFFFAOYSA-N	354.454	2.080	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnn(-c4nccs4)c3)CC2)cc1	1858216257	STUNUSFNUQDPRB-UHFFFAOYSA-N	369.450	2.300	10	10	FECE	
COC(=O)c1c(NC(=O)[C@H]2C[C@@H](O)CN2)sc(C)c1-c1ccccc1	1866042404	YWWHRXGQTIWPBK-CHWSQXEVSA-N	360.435	2.171	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc4c(c3)CC(=O)N4)CC2)cc1	1873831637	YQMYDXLBTBFIBU-UHFFFAOYSA-N	351.406	2.152	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H]2CCOC2)c1O	2139763657	IJCOERAKFYLNRG-CABCVRRESA-N	364.442	2.247	10	10	FECE	
COCC[S@@](=O)CCNCc1cc(Cl)cc(Br)c1O	2142037184	JIRITRBWTVBKFP-IBGZPJMESA-N	370.696	2.293	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)[C@]1(O)CN(C(=O)OC(C)(C)C)[C@@H]1C	1887682683	BAYWSODIWYUXPS-DUXSXAKTSA-N	361.486	2.310	10	10	FECE	
O=C1[C@@H]2CC[C@H](C(=O)N1CCc1ccc(O)c(O)c1)N2Cc1ccccc1	2148000635	PSFOZNRZSRYHDG-CALCHBBNSA-N	366.417	2.042	10	10	FECE	
CN(Cc1ccccc1O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1O	1990868677	MLJBUOCKXAGOPT-HKUYNNGSSA-N	356.422	2.206	10	10	FECE	
COc1ccc(O)c([C@H](C)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1	2032622195	GPIHOJCCOIOGPW-NILFDRSVSA-N	352.431	2.344	10	10	FECE	
CC(C)(CCNC(=O)COc1ccc(N)cc1)NC(=O)OC(C)(C)C	2044203829	DFPWFHNTMPPQLK-UHFFFAOYSA-N	351.447	2.457	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)c2ccc(O)c(O)c2)CN(C(=O)OC(C)(C)C)C1	2054412584	FJEMEBSOJZNXDK-DGCLKSJQSA-N	350.415	2.473	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@]12CCOC[C@H]1CN(C(=O)OC(C)(C)C)C2	2060616404	ACVVNKDGLMKCIO-WBMJQRKESA-N	353.423	2.029	10	10	FECE	
CO[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CC[C@H](N=[N+]=[N-])C2)C1	2067631774	SHFGXRHUWCVHLV-XQQFMLRXSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)N1CC[C@@H](N=[N+]=[N-])C1)C1CCOCC1	2259902591	OCSGVZRYTNLAHO-GFCCVEGCSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2CNCc1ccc(O)c(O)c1O	2311870904	HEJQIIMKWCZEGJ-XQQFMLRXSA-N	350.415	2.148	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@]2(C(=O)N3CCC[C@@H](N=[N+]=[N-])C3)CO[C@H]1C2	2334182828	COBHLXSPUZIEEB-ZOPJHEKZSA-N	365.434	2.360	10	10	FECE	
COc1ccc(N2CCN(C(=O)CCC(=O)c3cccnc3)CC2)cc1	62106608	KFKWWZSVEAIYPM-UHFFFAOYSA-N	353.422	2.402	10	10	FECE	
C[C@H](Sc1ccccc1)C(=O)NCc1ccc(N2CCNC(=O)C2)cc1	42077914	IHQCGKGWLZFUKX-HNNXBMFYSA-N	369.490	2.420	10	10	FECE	
O=C([C@@H]1CCCN(Cc2c(O)ccc(Cl)c2F)C1)N1CCOCC1	191206456	BMGFPNSPPQYSOA-GFCCVEGCSA-N	356.825	2.256	10	10	FECE	
CC[C@@H](C)NC(=O)C(C)(C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	242580894	CHKWVXBMOGBIMK-OAHLLOKOSA-N	361.486	2.285	10	10	FECE	
CC[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CCN1C[C@H](C)O	248489715	NBGQLFOFYIJDFU-HKUYNNGSSA-N	372.513	2.049	10	10	FECE	
O=C1NC(=O)[C@@H]2ON(Cc3ccccc3)[C@@H](c3cc(Cl)ccc3O)[C@H]12	253616036	WXHIDBWCCWACDE-HRCADAONSA-N	358.781	2.175	10	10	FECE	
NC(=O)c1cccc(OC(=O)/C=C\c2ccc(N3CCOCC3)cc2)c1	255419073	SBBYOXDKWSOPEO-TWGQIWQCSA-N	352.390	2.241	10	10	FECE	
CC[C@@H](CO)N1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)CC1	294919646	IJBDEDVEPJSOCY-IBGZPJMESA-N	361.530	2.190	10	10	FECE	
CN[C@H](c1ccc(N(C)C)cc1)[C@@H](NC(=O)OC(C)(C)C)c1cn(C)nn1	2166693233	BYPRYSJNANVZCC-SJORKVTESA-N	374.489	2.408	10	10	FECE	
C[C@@H]1[C@H](C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CCN1C	827689365	BUXJWGBJYOOMGM-DYESRHJHSA-N	370.541	2.175	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@]1(c2ccccc2)C[C@H](O)C1	900338533	XVUDNAUQHIOMSP-GRGXKFILSA-N	366.461	2.232	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)Nc3nnc(OC)s3)C2)cc1	824298049	AMOGEOSPCVCOSU-LLVKDONJSA-N	363.443	2.203	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(CN2CCCCC2=O)CC1	588404429	BRBJNPMUJHINKO-ALCCZGGFSA-N	358.438	2.362	10	10	FECE	
CCCCn1c(N)c(N(CC)C(=O)/C=C/c2cccnc2C)c(O)nc1=O	839218454	PUAQYAMPDCQDQK-MDZDMXLPSA-N	371.441	2.101	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCCC[C@H]2C(=O)N2CCOCC2)cc1	835027249	JBCQLQLPGQELOQ-XJDXJNMNSA-N	357.498	2.479	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3CC4)C2)cc1	849182157	BRFBZQMPRHRABQ-FLKCQLHMSA-N	370.449	2.303	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC(F)(F)C[C@@H]1CO	840481130	GQNHMRLLYCIDCK-XJKSGUPXSA-N	355.429	2.404	10	10	FECE	
COc1cc(Br)cc([C@H](C)N[C@@H]2CCC(=O)N(C)C2)c1O	848528723	NSTRKAOBKKRUFR-GXSJLCMTSA-N	357.248	2.435	10	10	FECE	
COCCN(Cc1ccnn1C)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	844212225	SLDNFQDGEANNMK-XQRVVYSFSA-N	360.370	2.079	10	10	FECE	
CC1(C)C[C@H](N)C[C@@H](NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1	925486166	PUYADXZYJJWQQP-KZNAEPCWSA-N	358.530	2.384	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)COc3cccc([N+](=O)[O-])c3)C2)cc1	855232363	QNEWOVRTUIDSHU-AWEZNQCLSA-N	371.393	2.377	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN4CCC[C@H]4C3)C2)cc1	852451712	BEBZFIIQSQDEJI-BQFCYCMXSA-N	358.486	2.200	10	10	FECE	
CCN(C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CCN(C)C1	854187585	NJFVZXIEXIOLTL-AEFFLSMTSA-N	360.502	2.257	10	10	FECE	
COc1cccc(CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)c1O	850760328	XSSUFNCBPJHNCR-QGZVFWFLSA-N	357.410	2.383	10	10	FECE	
O=C(NCc1cc(Cl)ccc1O)NCC1(C2(O)CCOCC2)CC1	925667098	UJVHMZWEYDPEJC-UHFFFAOYSA-N	354.834	2.167	10	10	FECE	
CCN(C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	854298706	ADZGOIVYYUSVMT-DLBZAZTESA-N	360.502	2.257	10	10	FECE	
CC(C)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Br)c1O	765753697	PCWLZNWBXMENJR-ZDUSSCGKSA-N	369.259	2.418	10	10	FECE	
Cc1cc(C(=O)N2CCN3C(=O)OCC[C@@H]3C2)c(C)n1-c1ccccn1	764256175	QNYFWOQTYXTBHB-OAHLLOKOSA-N	354.410	2.156	10	10	FECE	
CCCC[C@H](NC(=O)NCC)C(=O)N[C@H](C)c1cc(OC)ccc1O	761972189	GZHLKKGGYRAJKD-DOMZBBRYSA-N	351.447	2.456	10	10	FECE	
CC(C)(C(=O)N1Cc2cccc(O)c2C1)N1C(=O)c2ccccc2C1=O	871203794	HBRBSALLPNULJK-UHFFFAOYSA-N	350.374	2.309	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H]4OCCC[C@H]4C3)C2)cc1	1118564220	RWAAAVVYEVSJCZ-TXPKVOOTSA-N	359.470	2.484	10	10	FECE	
COc1ccc(N2CCN(CCN[C@@H](Cn3cccn3)C(C)C)CC2)cc1	788569551	GQJNFKCRYLXIGI-NRFANRHFSA-N	371.529	2.328	10	10	FECE	
COc1ccc(N2C(=O)/C(=C\c3ccco3)C(=O)NC2=S)c(OC)c1	1084121534	UJWMGSAINWNYFH-WQLSENKSSA-N	358.375	2.128	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](C)c3ccccn3)cc2)CC1	1154270951	FZRGNELERVZNEG-MRXNPFEDSA-N	366.465	2.170	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccn(-c4ccncc4)n3)C2)cc1	1334739629	HWSRPCZFDTYSQU-HNNXBMFYSA-N	363.421	2.285	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCC(CN=[N+]=[N-])CC2)=C[C@@H]1O	2131479639	YGBWZCOYIUHODC-KGLIPLIRSA-N	365.434	2.120	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@@H]3CC[C@H]4CN(C)C[C@@H]43)CC2)cc1	1346660496	OJYOUFVGYSIIER-FFZOFVMBSA-N	372.513	2.257	10	10	FECE	
O=C(CN1C(=O)C(F)(F)Oc2ccccc21)NCc1c(O)cccc1F	1456026511	ARXCRFHFRXRXHK-UHFFFAOYSA-N	366.295	2.166	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)[C@]3(C)C[C@@H](O)CN3C)c2C)c1	1454625074	QBHHBPKVAGQCEH-CTNGQTDRSA-N	355.482	2.474	10	10	FECE	
CCOC(=O)C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(F)(F)F	1452952268	GGOUAPFKOQBTRF-SNVBAGLBSA-N	360.292	2.463	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](Cc1ccccc1)c1nc(O)n[nH]1	1557910557	DSQRYRWWVTVDND-KGXGESDWSA-N	366.377	2.035	10	10	FECE	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CC=CC1	1625906986	MVKDWZYWKRORHF-UHFFFAOYSA-N	350.421	2.267	10	10	FECE	
Cc1nnc(N2CCOC[C@@H]2C)n1Cc1ccc(N2CCSCC2)cc1	1492958458	TYFKOPTYVXPZAK-HNNXBMFYSA-N	373.526	2.413	10	10	FECE	
C[C@@H](C(=O)NCc1ccc(O)c(O)c1)C1CN(C(=O)OC(C)(C)C)C1	1635958907	CPDRBFKISRDLCD-LLVKDONJSA-N	350.415	2.217	10	10	FECE	
C=CC(=O)NCCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	163881657	STUTXMVSKKRFRG-CYBMUJFWSA-N	367.396	2.065	10	10	FECE	
CON(CCCC(=O)Nc1ccc(N)cc1)CCNC(=O)OC(C)(C)C	2106673936	GLLCSJDGQJIVFN-UHFFFAOYSA-N	366.462	2.376	10	10	FECE	
C[C@H]1O[C@]2(C(=O)NCCCCN=[N+]=[N-])C[C@@]1(NC(=O)OC(C)(C)C)C2	2254818219	PUHYFQGBVSJQHD-HFBAOOFYSA-N	353.423	2.408	10	10	FECE	
Cn1nc(Br)c(Br)c1C(=O)N1CC(N=[N+]=[N-])C1	2301025089	FJPVGWHGZJXITP-UHFFFAOYSA-N	364.001	2.080	10	10	FECE	
C[C@@H](NCCOC1CN(C(=O)OC(C)(C)C)C1)c1ccc(O)cc1O	2315576867	JDKKPEZODZIRLU-GFCCVEGCSA-N	352.431	2.384	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)C3=COCCC3)CC2)cc1	170786519	NNYNUCBKNVWIAC-UHFFFAOYSA-N	359.470	2.018	10	10	FECE	
COc1ccc(N2CCN(C(=O)CNC(=O)c3ccccc3C)CC2)cc1	41428760	JLTLVVMTIXOGRC-UHFFFAOYSA-N	367.449	2.082	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@H](N4CCCC4)CC3)cc2N1	130851585	JVBIOHWFAPCMNG-ZDUSSCGKSA-N	360.414	2.380	10	10	FECE	
CN1CCCc2cc(/C=C\C(=O)OCC(=O)NC(=O)NC(C)(C)C)ccc21	98055641	HVUVDUQOVZYETJ-NTMALXAHSA-N	373.453	2.250	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)NCC[C@@H](C)O)cc2F)C[C@@H](C)O1	265159279	MOOOQAQRAAVCDO-MCIONIFRSA-N	353.438	2.009	10	10	FECE	
O=c1c(NCc2ccc(N3CCC(O)CC3)c(F)c2)nccn1C(F)F	288271869	ZHQKEAZRIXSBGN-UHFFFAOYSA-N	368.359	2.351	10	10	FECE	
COCc1csc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1	806988915	YVKGSZLIDDTTNZ-NSHDSACASA-N	362.455	2.171	10	10	FECE	
O=C1N[C@H](CF)C(=O)N1C1CCN(c2ccc(OC(F)F)cc2)CC1	806672350	ZPEMOZKWKATVDZ-CYBMUJFWSA-N	357.332	2.147	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(C(C)(C)O)c2)c1	806886786	UGZKYQHQSRNRAG-LBPRGKRZSA-N	372.421	2.444	10	10	FECE	
COc1cccc(CNC(=O)N[C@H]2CCC[C@H]2Cc2cnn(C)c2)c1O	822603754	YHWITNMORSZUIF-HOCLYGCPSA-N	358.442	2.345	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3CC([C@H]4CCOC4)C3)C2)cc1	824685874	IFJZJWFOSYVXLG-HOTGVXAUSA-N	359.470	2.199	10	10	FECE	
COc1ccccc1[C@H](O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	900268796	GFYIJKDDISVATQ-IBGZPJMESA-N	374.412	2.021	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)cc1	902898931	YCNGYRWIQJCWKS-DNVCBOLYSA-N	360.458	2.173	10	10	FECE	
CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	588533620	RVYNIKZZXDQZQV-YEODSOHDSA-N	367.449	2.487	10	10	FECE	
Cc1cc(CO)oc1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	837715651	UCBCQUPNQAWPLX-UHFFFAOYSA-N	366.364	2.125	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC(C)(C)c3noc(C)n3)C2)cc1	853688440	BGBWYCMZVOTKMV-CYBMUJFWSA-N	359.430	2.200	10	10	FECE	
COC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)c1cc(C)n(-c2ccccn2)c1C	924868340	PTINOQCJXYPQGU-DOTOQJQBSA-N	371.437	2.330	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Cc3ccc4c(c3)OCCO4)C2)cc1	855230153	UBNLZAAIJGQJIG-INIZCTEOSA-N	368.433	2.404	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc(C(N)=S)cc3)C2)cc1	855232719	TYUJIMKDMLABBR-HNNXBMFYSA-N	355.463	2.338	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2CCC(=O)N(C)C2)c1	859498812	LPFXPIJPIUJXLJ-QGZVFWFLSA-N	353.422	2.257	10	10	FECE	
COc1ccc(N(C)[C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)c(OC)c1	851865123	QXUPPQWKLQZSPN-OAHLLOKOSA-N	364.442	2.083	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)c2ncnn21	851991883	WMDPFRJMRWHZCB-CZUORRHYSA-N	372.498	2.337	10	10	FECE	
Cc1cc(CC(=O)N[C@@H](CO)c2ccnn2C)c(C)n1-c1ccccc1	854914350	PXUAXAJMPYMUGB-SFHVURJKSA-N	352.438	2.220	10	10	FECE	
O=C(O)[C@@H]1CCN(C(=O)OCc2ccccc2)[C@H]1c1cc(O)nc(O)c1	1952993102	IZAZDBNKPBJQEB-CJNGLKHVSA-N	358.350	2.277	10	10	FECE	
COc1ccc(N2CCCN(C(=O)c3c(OC)ccnc3OC)CC2)cc1	864949468	KDCINYUIVMUZAI-UHFFFAOYSA-N	371.437	2.460	10	10	FECE	
CNS(=O)(=O)C[C@H]1CCCN(C/C=C/c2ccc(N(C)C)cc2)C1	862552310	VVBALRLWGUWDRP-YXMMZVCTSA-N	351.516	2.027	10	10	FECE	
Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1	875747203	NYQXSRZKNBBTQA-QZTJIDSGSA-N	359.470	2.143	10	10	FECE	
CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc(O)c(Cl)c1	776750505	GNYFYFODJSYYNH-UHFFFAOYSA-N	361.828	2.250	10	10	FECE	
O=C(CN1CCN(Cc2ccccc2)CC1)N1Cc2cccc(O)c2C1	871199294	VLQRLFIXGMOCRJ-UHFFFAOYSA-N	351.450	2.052	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CCC[C@@H]4C[C@H]43)nc12	1118465503	JISMJGGWMSLDOX-RAIGVLPGSA-N	359.382	2.091	10	10	FECE	
O=C(CCN1CCN(c2ccccc2)CC1)N1Cc2cccc(O)c2C1	871203045	QPTWNOVRIPGEKL-UHFFFAOYSA-N	351.450	2.447	10	10	FECE	
COc1ccc(N2CCC(N[C@H]3CCN(C4CCOCC4)C3=O)CC2)cc1	773045611	ZIXJIIWAPANPOQ-FQEVSTJZSA-N	373.497	2.034	10	10	FECE	
CN1CCN(c2ccc(CN3CCC(C(=O)N4CCCC4)CC3)cc2)CC1	775645149	WVGYVFMUJDMQSY-UHFFFAOYSA-N	370.541	2.273	10	10	FECE	
C[C@H]1[C@@H](C)O[C@H](C)CN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	782559529	RMQSJYHSAAZNOH-QLFBSQMISA-N	365.449	2.370	10	10	FECE	
CCc1c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cnn1CC	1125257134	UXCBRKSLRWEVID-UHFFFAOYSA-N	360.433	2.371	10	10	FECE	
CC[C@@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)C(=O)O	780445741	QBVKDDYKHBPWMV-TYNCELHUSA-N	367.421	2.102	10	10	FECE	
COC(=O)c1cc(C)c(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)o1	898982807	IIFKXSWDRKFZSM-UHFFFAOYSA-N	372.421	2.266	10	10	FECE	
NCc1ccc(N2CC[C@]3(CCCS3(=O)=O)C2)cc1Br	709575940	ROJBVGGYEYLIAM-CQSZACIVSA-N	359.289	2.065	10	10	FECE	
Cc1ccc(CN(CC2CC2)C(=O)C(=O)N(C)Cc2ccccc2O)cn1	1326269081	WHJPKIFZYWATTA-UHFFFAOYSA-N	367.449	2.493	10	10	FECE	
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1	2132349946	IUXPQNAOPGICPR-BBRMVZONSA-N	356.422	2.444	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3C[C@@H](CO)[C@H](CCO)C3)c2C)cc1	1348197451	AVHHJYFCVFCEAZ-SJORKVTESA-N	372.465	2.166	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C2(F)F)c1ccc(N(C)C)cc1	1350791215	JITSHWOQLIPPRC-KSZJFAHPSA-N	365.424	2.480	10	10	FECE	
Cc1ccccc1-n1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nn1	1447559053	AIWVQDPATKGZGG-ZDUSSCGKSA-N	352.394	2.348	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnc(-c2ccccn2)n1	1447560034	DXBXEZOECRXDPS-GFCCVEGCSA-N	350.378	2.311	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)C(=O)c3ccc(O)cc3)CC2)cc1	1295275321	OMSKCGRMDOHIGU-UHFFFAOYSA-N	354.406	2.322	10	10	FECE	
COCCOCCc1ncc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)[nH]1	1638955694	BHIDEZQFLDHQQF-AWEZNQCLSA-N	360.458	2.172	10	10	FECE	
COc1ccc(CNC2(CNC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CC2)cc1C	1723560728	FDIWYTHMHLONFC-ZWKOTPCHSA-N	368.481	2.279	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cn(-c2ccc(OC)cc2)nn1	1640260198	VIQHIROJHAWYJY-UHFFFAOYSA-N	373.409	2.397	10	10	FECE	
C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H](C)c1ccccc1O	1643738656	LADWYNMFGPTXOB-NEPJUHHUSA-N	366.414	2.076	10	10	FECE	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[C@@](O)(C(F)(F)F)C1	157028799	IFJXIVZTHZZYJZ-HNNXBMFYSA-N	353.300	2.390	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cc3nonc3OCC(C)C)CC2)cc1	1872639253	ZMEORQFQIGIARX-UHFFFAOYSA-N	374.441	2.004	10	10	FECE	
CCCNCc1ccc(N2CC(S(C)(=O)=O)C2)c(Br)c1	2152286751	PVPSATISNFEQDB-UHFFFAOYSA-N	361.305	2.182	10	10	FECE	
CN(CC(C)(C)S(C)(=O)=O)c1ccc(CO)cc1Br	713918787	MMNJVCIBFIHSTK-UHFFFAOYSA-N	350.278	2.201	10	10	FECE	
CC[C@@H](c1ccc(OC)cc1O)n1nc(C(F)(F)F)c(C(N)=O)c1N	2079849477	XUGREQROEDQQKF-VIFPVBQESA-N	358.320	2.297	10	10	FECE	
CN(C[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1)C(=O)OC(C)(C)C	2054412626	FUCMWUYPAVSIDB-LBPRGKRZSA-N	350.415	2.427	10	10	FECE	
CCc1cccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)c1O	2063348252	KAQXRUPRVDGGPS-HZPDHXFCSA-N	350.459	2.415	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](NC(=O)COc3ccc(N)cc3)C[C@H]21	2106264548	HYIVJODHUFDQEJ-OWCLPIDISA-N	361.442	2.162	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(Cc3cc(N)ccc3O)C[C@H]21	2106685494	PHYWEBRLXYWRLY-NVXWUHKLSA-N	363.458	2.185	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2CC(=O)Nc1ccc(N)cc1	2106675616	SUPNXKXQGNJLFH-CVEARBPZSA-N	360.458	2.291	10	10	FECE	
COc1ccc(N(C)C[C@@H](O)CCN2C(=O)c3ccccc3C2=O)cc1	2210653534	KFBHTSSEBRQFBJ-HNNXBMFYSA-N	354.406	2.179	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)NCC3(CN=[N+]=[N-])CC3)CO[C@H]1C2	2334184495	XVXWTWJIYHAOND-BWACUDIHSA-N	365.434	2.265	10	10	FECE	
Cc1cc(Cl)cc(CN[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1O	272456181	XEXJLSQPEMCPBK-ZBFHGGJFSA-N	359.875	2.180	10	10	FECE	
Cc1ccc(CNS(=O)(=O)C[C@@H]2CCCO2)c(O)c1Br	2380720344	GKMHXYGUTNHRAW-NSHDSACASA-N	364.261	2.062	10	10	FECE	
CCCC[C@@H](NC(=O)NCC)C(=O)N1CCOc2cc(N(C)C)ccc21	571211537	HLFAXUOMHKYDIP-OAHLLOKOSA-N	362.474	2.356	10	10	FECE	
O=S1(=O)CCN(Cc2cccc(Br)c2O)[C@@H]2CCC[C@@H]21	825203128	XRJKRRPJMPVJPW-OLZOCXBDSA-N	360.273	2.306	10	10	FECE	
COC1(C[C@H](NC(=O)NCc2ccc(N(C)C)cc2C)C(=O)O)CCC1	909043102	NXFYYZVUAVPYJF-INIZCTEOSA-N	363.458	2.273	10	10	FECE	
C[C@H]1CN([C@H](C)CNC(=O)NCc2cc(Cl)ccc2O)C[C@@H](C)O1	847408116	RKPUPOVFNMIAJQ-UPJWGTAASA-N	355.866	2.343	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)Cn2c(O)nc3ccccc32)cc1	846446020	GIHBLNJVTGSJOI-UHFFFAOYSA-N	368.437	2.345	10	10	FECE	
CC(C)N(C[C@H]1CCC(=O)N1)C(=O)NCc1ccc(N(C)C)c(F)c1	840280098	HGBHLGWXJWJZQA-CQSZACIVSA-N	350.438	2.090	10	10	FECE	
CCOC(=O)CC[C@H](C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	853919618	CCPWTZKRJKOOIW-GJZGRUSLSA-N	363.458	2.305	10	10	FECE	
CCC[C@]1(CO)CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	854297278	LOEVHFRLMGWJRB-UZLBHIALSA-N	361.486	2.468	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCC[S@@](=O)CC(F)(F)F	852463925	ZBLIZMDWIXETSR-XMMPIXPASA-N	365.421	2.205	10	10	FECE	
O=C1N[C@]2(CCSC2)C(=O)N1Cc1ccc(N2CCSCC2)cc1	761101076	SQJOUKVARVDWLE-KRWDZBQOSA-N	363.508	2.167	10	10	FECE	
COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(N(C)C)c2C)c1	776041561	LLWQOAJQLUXMDZ-UHFFFAOYSA-N	357.410	2.030	10	10	FECE	
CS(=O)(=O)c1cccnc1CNC(=S)Nc1cccc(F)c1F	1116826503	HWTXMCVHVPTBRO-UHFFFAOYSA-N	357.407	2.250	10	10	FECE	
CC(C)(C)OC(=O)Nc1cnc(C(=O)NCc2cc(O)ccc2O)cn1	1303226085	WBZIOVYWLUPGMC-UHFFFAOYSA-N	360.370	2.165	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)c3cncc4nc[nH]c34)CC2)cc1	1262155217	FCRUPFSGCIMAFL-UHFFFAOYSA-N	351.410	2.319	10	10	FECE	
COc1cc(C)cnc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1463280196	KBZWXAWFPANIFL-KRWDZBQOSA-N	356.470	2.497	10	10	FECE	
CCOC(=O)c1nc(=NCc2c(O)cccc2F)c(Br)c[nH]1	1472883362	RBOZKZMJRTYDEK-UHFFFAOYSA-N	370.178	2.295	10	10	FECE	
CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)c2cccc(O)c2O)cc1	1629013235	KMEZRJFVSCMITG-NSHDSACASA-N	372.377	2.032	10	10	FECE	
Cn1c(C(=O)NCc2c(O)cccc2F)cc(Br)c1C=O	1558455088	NQCFZIBWAMBGID-UHFFFAOYSA-N	355.163	2.375	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)c1cc2c(nc1O)CCOC2	1557124022	SUYYXIJCDWIKNF-UHFFFAOYSA-N	351.362	2.044	10	10	FECE	
CC(C)(NC(=O)Cc1ccc(O)c(O)c1)c1cn(-c2ccccc2)nn1	1631099975	QILLLYTVEXKWRP-UHFFFAOYSA-N	352.394	2.273	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)N3CCNC(=O)[C@H]3C)c2C)c1	1684599487	AZZRZLMQZHVDEM-MRXNPFEDSA-N	354.454	2.432	10	10	FECE	
Cc1cc(CCNC(=O)NC[C@H](O)[C@H]2CCCO2)c(C)n1-c1ccccc1	1683148708	CJIIWVQMRNSQOR-VQTJNVASSA-N	371.481	2.476	10	10	FECE	
Cc1cc(CCNC(=O)N[C@H](CO)[C@H]2CCOC2)c(C)n1-c1ccccc1	1684318910	SCHRYSUWEKOWDI-AZUAARDMSA-N	371.481	2.333	10	10	FECE	
CCOC(=O)c1cc(CNC(=O)NCc2c(O)ccc3c2CCCC3)on1	1683529596	RFRDREUOMBVRQK-UHFFFAOYSA-N	373.409	2.435	10	10	FECE	
COC(=O)CCN1C(=O)/C(=C2\C(=O)Nc3ccc(C)cc32)SC1=S	206830994	OKWMBEDCMUZXMK-OUKQBFOZSA-N	362.432	2.082	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)O2)c1O	2139740826	DEHPFECDWBJMGL-GJZGRUSLSA-N	364.442	2.389	10	10	FECE	
CC(=O)NCCNC(=O)/C=C\c1cc(C)n(-c2ccc3c(c2)OCO3)c1C	208246793	JGMSRQCKNZWYGR-DAXSKMNVSA-N	369.421	2.088	10	10	FECE	
Nc1ccc(OCCCN2CCC[C@@H](NC(=O)c3ccncc3)C2)cc1	586058596	DBFVLVYTFGQJHC-GOSISDBHSA-N	354.454	2.327	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cn(CC4CCC4)nn3)CC2)cc1	1890574892	ZHYAIIOERTXZSO-UHFFFAOYSA-N	355.442	2.049	10	10	FECE	
C[C@H]1CN(c2cc(Br)c(CN)cc2F)C[C@H](C)S1(=O)=O	400852382	DOPREOAGBJJCOM-IUCAKERBSA-N	365.268	2.059	10	10	FECE	
C[C@H](N)c1ccc(N2C[C@H](C)S(=O)(=O)[C@H](C)C2)c(Br)c1	400891473	LONJNVPWXQWIOP-AXFHLTTASA-N	361.305	2.481	10	10	FECE	
NC(=O)NC(=O)CN(CC=Cc1ccccc1)c1ccc2c(c1)OCCO2	2042437224	CWIYCRUHVUHTMB-UHFFFAOYSA-N	367.405	2.173	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N(C)[C@H](C)CNC(=O)OC(C)(C)C	2044609915	ASPVQWRWYPXVID-OLZOCXBDSA-N	350.463	2.441	10	10	FECE	
CN(C)CCN(CC(=O)N1CCC[C@H](N=[N+]=[N-])C1)C(=O)OC(C)(C)C	2060614430	CHWZFNYWGUUZHS-ZDUSSCGKSA-N	354.455	2.086	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2060637359	KFTMAXNZHSRFAA-FRRDWIJNSA-N	353.423	2.048	10	10	FECE	
CCCN(C)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2080886660	IOVCSGIGAYSJKC-ZDUSSCGKSA-N	352.431	2.402	10	10	FECE	
COC1(CCNC(=O)OC(C)(C)C)CN(C(=O)Nc2ccc(N)cc2)C1	2106693104	ASUDJCGTPKBYJU-UHFFFAOYSA-N	364.446	2.416	10	10	FECE	
COc1ccc(N2C[C@H](O)CC23CN(C(=O)OC(C)(C)C)C3)cc1OC	2226808826	MOZFLAGBINGVKL-CQSZACIVSA-N	364.442	2.264	10	10	FECE	
COC[C@]1(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C=CCN1C(=O)OC(C)(C)C	2336339105	WDCSRFNAUIGWQT-DYVFJYSZSA-N	365.434	2.480	10	10	FECE	
Cc1ccc(CN[C@@H](C)CCS(C)(=O)=O)c(O)c1Br	2352673846	YPQDKODIRLAMNS-JTQLQIEISA-N	350.278	2.376	10	10	FECE	
O=C(c1cn2cccnc2n1)N(Cc1ccccc1O)C[C@H]1CCCO1	117975726	UKEMSAYDOHVUFP-OAHLLOKOSA-N	352.394	2.256	10	10	FECE	
COc1ccc(CN2C(=O)N=C(O)/C(=C\Nc3cc(C)on3)C2=O)cc1	102705936	UXAMUSWNSNGNQT-MDWZMJQESA-N	356.338	2.406	10	10	FECE	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H]2CNC(=O)C2)cc1	110869244	DJVHSTAGEZASFI-MRXNPFEDSA-N	367.449	2.431	10	10	FECE	
O=S(=O)(c1cc(F)ccc1F)N1CCN(Cc2ccccc2O)CC1	179558208	XVWSJGMBPJYNLZ-UHFFFAOYSA-N	368.405	2.177	10	10	FECE	
C[C@@H](NC[C@@H](C)N1CCOCC1)c1ccc(N2CCOCC2)c(F)c1	123302303	NNTDUCOCYRIAOG-HZPDHXFCSA-N	351.466	2.034	10	10	FECE	
O=C(/C=C/c1cncc(O)c1)NCc1ccc(N2CCOCC2)c(F)c1	181899946	KSAFBYYWFUHADF-DUXPYHPUSA-N	357.385	2.093	10	10	FECE	
C[C@@](CC(=O)O)(NC(=O)OCc1ccccc1)c1c(O)cc(O)cc1O	1951864923	ZQLAXPJDJVYOIT-SFHVURJKSA-N	361.350	2.420	10	10	FECE	
CN[C@H]1C(=O)Nc2cc(N3CCOCC3(C)C)c(Br)cc21	92775456	IJTAUBZBPWPKHK-CYBMUJFWSA-N	354.248	2.277	10	10	FECE	
Nc1ccc(OCCS(=O)(=O)Nc2ccncc2Br)cc1	147485940	ZVDLWNSKIYKSPI-UHFFFAOYSA-N	372.244	2.247	10	10	FECE	
C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C[C@H]1N1CCOCC1	245813472	ZUZWZCFKMIGOEE-IAQYHMDHSA-N	355.822	2.106	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)O[C@@H]1CCCNC1	1951941211	SAVWIHVMJGFFHV-CZUORRHYSA-N	352.431	2.260	10	10	FECE	
Cc1nccn1C[C@H](C)CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1	254976608	DQXQBPSQAMSOIW-CTEOGUNLSA-N	368.481	2.494	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCOC[C@H]1CC(F)F	286346887	BMFOCMLGXXACJY-ZNNBYXKUSA-N	366.408	2.419	10	10	FECE	
Cc1ccc(CN(C)Cc2nnsc2NN)c(O)c1Br	2380788394	BAEUWXWTNUENFW-UHFFFAOYSA-N	358.265	2.232	10	10	FECE	
C[C@H]1CCN(Cc2cc3c(cc2O)OCO3)[C@@H](C)[C@H]1NC(=O)C(F)(F)F	809769929	VUZGWBURJNICBD-YHAQOWFVSA-N	374.359	2.398	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)[C@@]3(C)C[C@@H]4C[C@@H]4C3)CC2)cc1	815134997	MYYDKLHOIROYQU-UPHUGPLXSA-N	357.498	2.370	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)/C=C\[C@@H]3CCCO3)cc2F)CC1	819250883	JEAQHNUUAUULHB-QLBOMPFWSA-N	361.461	2.319	10	10	FECE	
CCOC(=O)[C@H](C)N(C(=O)/C=C\c1ccc(N2CCOCC2)cc1)C1CC1	588562524	PULVUZZXLXETLJ-BCTQVIJGSA-N	372.465	2.479	10	10	FECE	
CCOC(=O)[C@@H](CC1(OC)CCC1)NC(=O)/C=C/c1ccc(O)c(O)c1	846518237	ZPPDEFSPWQIEKG-IZPAUZPXSA-N	363.410	2.118	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@@H](C4CC4)N3)cc2F)CC1	846673769	FCFIHMQDHMPCHZ-OALUTQOASA-N	374.504	2.114	10	10	FECE	
O=S1(=O)C[C@H](CNCc2ccc3c(c2)CCCO3)Oc2ccccc21	922207911	LGGBQLCBABNXFM-INIZCTEOSA-N	359.447	2.336	10	10	FECE	
NC1(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CCCCCC1	842212053	CFQDDHLMQDCPHL-UHFFFAOYSA-N	372.513	2.071	10	10	FECE	
C[C@@H](NC(=O)N1CCC[C@@H]2C[C@@]21C(=O)O)c1ccc(N2CCOCC2)cc1	929004024	DAXUXJACHAVKDM-KKVAFCGZSA-N	373.453	2.233	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCOC[C@@H]3C3CCC3)C2)cc1	854296234	HVJNTTMGEXDQHX-VQIMIIECSA-N	359.470	2.484	10	10	FECE	
C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)NCc3c(O)cccc3F)O2)[C@H]1C	924049039	DEDYZTNJVIBECG-PAKFGRKTSA-N	352.406	2.303	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3CC[C@@H]4COC[C@@H]4C3)CC2)cc1	853643833	RKBNHOGNENTDAK-CVEARBPZSA-N	359.470	2.342	10	10	FECE	
Cc1ccc(O)c(CNC(=O)NCc2nn(C)cc2Br)c1	858511696	JDUZNDZPZNCLJC-UHFFFAOYSA-N	353.220	2.196	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H](NC(C)C)C3)C2)cc1	854301860	VGTULFDRYIAIAH-SJORKVTESA-N	360.502	2.446	10	10	FECE	
Cn1nc2c(c1CNCc1ccc(N3CCSCC3)cc1)COCC2	921552586	WHOVPXNDLIZOIE-UHFFFAOYSA-N	358.511	2.336	10	10	FECE	
COc1ccc(CNC(=O)NCc2cnc(C(F)(F)F)nc2)c(O)c1	852446096	LSGWSDRKWNYLII-UHFFFAOYSA-N	356.304	2.209	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC1CC(CC(N)=O)C1	928046142	MNKGKOWGELZNEK-UHFFFAOYSA-N	353.422	2.290	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3c(C)nc(O)nc3SC)C2)cc1	855234160	TZKCEIUJIUVQCN-GFCCVEGCSA-N	374.466	2.230	10	10	FECE	
COC(=O)c1cnc([C@@H]2CCCN(C(=O)c3cccc(O)c3O)C2)s1	856462249	YGTAJEJRQPOOKP-SNVBAGLBSA-N	362.407	2.361	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3nc[nH]c3C(F)(F)F)C2)cc1	855224007	JTUKODPFRAXFBE-SNVBAGLBSA-N	354.332	2.446	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)NCCC1(CS(C)(=O)=O)CC1	852443444	KXVHPXKMJHLUCJ-UHFFFAOYSA-N	367.515	2.075	10	10	FECE	
COCCN(CCF)C(=O)NCc1ccc(N2CCSCC2)cc1	851991192	HZTJJFYXYPPYBI-UHFFFAOYSA-N	355.479	2.367	10	10	FECE	
CCO[C@H](C(=O)NCc1cc(Br)ccc1O)[C@H]1CCOC1	868306776	BLGQCWDWYZMWEA-HZMBPMFUSA-N	358.232	2.213	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3C[C@H]4C=C[C@H]3O4)cc2F)C[C@@H](C)O1	1119763225	ODJOPZSHCTYZQC-IQWHIPCCSA-N	360.429	2.399	10	10	FECE	
Cc1cc2ccc(Cl)cc2nc1NNC=C1C(=O)N(C)C(=O)N(C)C1=O	778519377	PDRBHJCZVNKHFM-UHFFFAOYSA-N	373.800	2.047	10	10	FECE	
COCC(C)(C)CC(=O)N1CCN(c2ccc(OC)cc2OC)CC1	870165991	QWQJTHQSXDRXMY-UHFFFAOYSA-N	350.459	2.415	10	10	FECE	
CCC1(CC)CN(C(=O)NCc2ccc(N(C)C)cc2)CCS1(=O)=O	778277074	XCPHHKCQWZTEFR-UHFFFAOYSA-N	367.515	2.251	10	10	FECE	
Cc1cc(C(=O)COC(=O)[C@@H]2NC(=O)O[C@@H]2C)c(C)n1-c1ccc(F)cc1	786064506	BTQIZYXRSIQGRB-SJKOYZFVSA-N	374.368	2.456	10	10	FECE	
CCc1[nH]c(CNCc2ccc(N3CCOCC3)cc2)cc1C(=O)OC	894199657	BMDJZTUUVLVESD-UHFFFAOYSA-N	357.454	2.490	10	10	FECE	
COc1cc(C)cc(CN2CCC(S(=O)(=O)N3CCCC3)CC2)c1O	799957622	CVJNTUYVGBIPDU-UHFFFAOYSA-N	368.499	2.099	10	10	FECE	
CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(O)c(OC)c1	797820168	JNJQRBMCHBQONE-UHFFFAOYSA-N	355.368	2.144	10	10	FECE	
O=S(=O)(C1CCN(Cc2cc3c(cc2O)CCC3)CC1)N1CCCC1	799957514	AEMJPUKFSZIRQH-UHFFFAOYSA-N	364.511	2.271	10	10	FECE	
C[C@H](C[C@@H](C)NC(=O)OC(C)(C)C)NC(=O)Cc1ccc(O)c(O)c1	1143153359	YYJDMGIAGLFTBN-VXGBXAGGSA-N	352.431	2.448	10	10	FECE	
COC(=O)[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(O)c1	792181943	WPDVTBARKVVQNV-IBGZPJMESA-N	356.422	2.233	10	10	FECE	
CN(CCCC(=O)Nc1ccc(N)cc1)C[C@@H](O)COCc1ccccc1	1916365976	DWEXWKPQVVYCTG-HXUWFJFHSA-N	371.481	2.497	10	10	FECE	
CCOC(=O)[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(C)C	1304768847	QFIRAIBAUQTDET-MSOLQXFVSA-N	363.502	2.307	10	10	FECE	
Cc1ccc([C@@](O)(CC(=O)NCc2c(O)cccc2O)C(F)(F)F)o1	1304053507	MNHJLRUHGNZAFN-HNNXBMFYSA-N	359.300	2.456	10	10	FECE	
CN[C@@H](c1ccc2c(c1)CCN2C)[C@]1(O)CN(C(=O)OC(C)(C)C)[C@H]1C	1887689998	BAYWSODIWYUXPS-ROOHIHILSA-N	361.486	2.310	10	10	FECE	
NC(=O)c1cnc(C(=O)NCc2ccc3cccnc3c2O)c(Cl)c1	1162612717	OTPXURPDKYYJAT-UHFFFAOYSA-N	356.769	2.018	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3C[C@H](C)O[C@@H]3C)CC2)cc1F	1313146684	DHOQFHGLYNVVMR-WOSRLPQWSA-N	351.422	2.232	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N(C)Cc2ccccc2O)CO1	2124170941	CDZCMCKCNZXUJV-UKRRQHHQSA-N	364.442	2.375	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C1	2124538936	PANVMNPAEPDXBV-MGPQQGTHSA-N	367.450	2.296	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C1	2124537467	YMTBJJXFSTWXJC-PBFPGSCMSA-N	367.450	2.344	10	10	FECE	
CC(C)(C)OC(=O)NCc1ncc(C(=O)NCC2(CN=[N+]=[N-])CC2)cn1	2124506245	VFNSWHALOXCQCJ-UHFFFAOYSA-N	361.406	2.322	10	10	FECE	
CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CCC[C@@H]2CN=[N+]=[N-])CC1	2124534340	SAJVLWRYEOWBHS-CQSZACIVSA-N	366.466	2.277	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)Cc1ccco1	1347753218	YIXSTEBUDAKKKP-WFASDCNBSA-N	361.394	2.160	10	10	FECE	
O=C(Cn1ccc(C(F)(F)F)n1)NCc1ccc2cccnc2c1O	1469247570	CEUASNSZZXNCPW-UHFFFAOYSA-N	350.300	2.472	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2ccc(O)cc2O)C1	1469162644	NOONKGFVBRSAAJ-XEKQOVJPSA-N	362.426	2.407	10	10	FECE	
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(O)cccc1O	1472064397	WFZDITOVEQQBIJ-LBPRGKRZSA-N	370.471	2.360	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC=C(F)C1	2136240358	LJTRTSFLEWGOPN-ZDUSSCGKSA-N	366.389	2.229	10	10	FECE	
CC[C@@H](CC(=O)NCCc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	1964864543	SJZNJABNSOTLLO-ZDUSSCGKSA-N	352.431	2.450	10	10	FECE	
C[C@@H](O)c1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)cc1Br	2148781057	DOSCCHRXTQLVAL-MNOVXSKESA-N	362.289	2.373	10	10	FECE	
CNCc1ccc(N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c(Br)c1	2170284650	VPLUEWDUZAXFDK-QWRGUYRKSA-N	361.305	2.180	10	10	FECE	
CCS(=O)(=O)C[C@@H](C)N(C)c1ccc(CNC)cc1Br	2170532384	DURITVWWCPOPJR-LLVKDONJSA-N	363.321	2.428	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNCc3cc4c(cc3O)OCO4)[C@H]2C1	922787347	FKMWNUAWROPWEF-ZSOGYDGISA-N	362.426	2.323	10	10	FECE	
C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2060635082	HSUPJBYDSINPSS-DGCLKSJQSA-N	353.423	2.312	10	10	FECE	
N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCC[C@H](OCc2ccccc2)C1	2186375235	XDZWETDPACIYNO-ROUUACIJSA-N	370.449	2.175	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H]2CCN(Cc3cc(N)ccc3O)C[C@@H]21	2106685495	PHYWEBRLXYWRLY-RDJZCZTQSA-N	363.458	2.185	10	10	FECE	
CN(C)c1ccc([C@H](N)[C@]2(O)[C@H]3C[C@@H]2CN(C(=O)OC(C)(C)C)C3)cc1	2270725380	ISYMMDFIXWWHRD-MQJTVSLUSA-N	361.486	2.370	10	10	FECE	
CCOC(=O)CN(C(=O)C=Cc1ccc(N2CCOCC2)cc1)C1CC1	2297505374	MWWLBDXCDNNRMB-UHFFFAOYSA-N	358.438	2.091	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N[C@H]1Cc2ccccc2[C@@H]1O	2302272297	HLIANXLMBBLRGR-UNMCSNQZSA-N	364.445	2.311	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)[C@H](N2CCCc3cc(CN)ccc32)C1	2329694260	VXQISRIPYSHRML-KBAYOESNSA-N	361.486	2.315	10	10	FECE	
Nc1ccc(OCCS(=O)(=O)NCCCOCc2ccccc2)cc1	310423002	OEZWSFJUFNMPTR-UHFFFAOYSA-N	364.467	2.174	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)Nc3cc(C)no3)CC2)cc1	171140448	AGMRZAJKDZGJOQ-UHFFFAOYSA-N	373.457	2.325	10	10	FECE	
Cc1ccc2c(c1)/C(=C1/SC(=S)N(CCCC(=O)O)C1=O)C(=O)N2	40938381	RVTJIQHVSHJNBG-SEYXRHQNSA-N	362.432	2.383	10	10	FECE	
CCC[C@@](C)(O)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92643610	AHYGCWVZVIFSAY-OAQYLSRUSA-N	359.514	2.386	10	10	FECE	
CCn1nccc1/C=C\C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	255669336	KEASUYLKTSWXKA-FPLPWBNLSA-N	368.481	2.441	10	10	FECE	
CN1CCC([C@@H]2CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C2)CC1	361191454	ODOFFBPNYOCOHM-CYBMUJFWSA-N	360.414	2.094	10	10	FECE	
COc1ccc(O)c(CNC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)c1	370720870	SIVZGNIZQHYGDU-HNNXBMFYSA-N	364.467	2.109	10	10	FECE	
Cc1ccc(CN2CCC(S(C)(=O)=O)CC2)c(O)c1Br	2381137091	LEAIBKSSLYTXSD-UHFFFAOYSA-N	362.289	2.472	10	10	FECE	
COc1ccc([C@H](CC(=O)NCc2cccc(OC)c2O)NC(C)=O)cc1	729859084	FZGQTVNEPRMTJV-KRWDZBQOSA-N	372.421	2.293	10	10	FECE	
C[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1cscn1	828497096	QILFDIIRZAMZQQ-CYBMUJFWSA-N	356.451	2.013	10	10	FECE	
CCNC(=O)CN(C)CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C	728915509	VIZZACSFMJQBEW-UHFFFAOYSA-N	371.437	2.073	10	10	FECE	
COC1CCN(c2ccc(CN3CCO[C@@H](C(=O)C4CC4)C3)cc2)CC1	828928175	KWGUWGHHJKLIIJ-HXUWFJFHSA-N	358.482	2.482	10	10	FECE	
C[C@@H]1CN(CCO)CCN1Cc1ccc(OCc2ccccc2)cc1O	825339038	YWHMMBIPGAMNQY-QGZVFWFLSA-N	356.466	2.470	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](C)N1C[C@H](C)O[C@H](C)C1	847318890	PNOUNCDLUMZZTL-ZACQAIPSSA-N	362.518	2.358	10	10	FECE	
NC(=O)C1CCN(c2ccc(CN[C@H]3CCCN4CCCC[C@H]34)cc2)CC1	926872558	HBIDKYNLPMFAOB-LEWJYISDSA-N	370.541	2.495	10	10	FECE	
C[C@@H](NC(=O)NCCN1C[C@@H]2CCCCN2C1=O)c1ccc(N(C)C)cc1	852261939	WOBUIUMPLXJYFI-QAPCUYQASA-N	373.501	2.403	10	10	FECE	
COc1ccc(N2CC[C@@H](NCc3ccc(S(C)(=O)=O)cc3)C2)cc1	850346405	UKEZPOAGSDCHJM-MRXNPFEDSA-N	360.479	2.467	10	10	FECE	
COc1ccnc(CNC(=O)NCc2ccc(N(C)C)c(F)c2)c1F	852588989	GUDXROVSUSVYSQ-UHFFFAOYSA-N	350.369	2.434	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN3CC[C@@H](C(C)C)C3)CC2)cc1	754051423	PIYXIIQMFDHZFW-QUCCMNQESA-N	361.530	2.156	10	10	FECE	
Fc1cc(CNC[C@H]2CC3(CCOCC3)CO2)ccc1N1CCOCC1	865780138	FSEYACYGFPICJX-QGZVFWFLSA-N	364.461	2.338	10	10	FECE	
CCNC(=O)COc1cccc(CNC(=O)N[C@@H](C)c2ccccc2O)c1	868071903	GVJQCFGGSYWDRO-AWEZNQCLSA-N	371.437	2.468	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)[C@H]1CCCN(C(=O)C2CC2)C1	862028818	LJJMEIBBXNYVHR-INIZCTEOSA-N	353.422	2.205	10	10	FECE	
Cc1cc(C)cc(-n2ncc(/C=C3\SC(=S)N(CC(=O)O)C3=O)n2)c1	781101053	RVRMNFLJQLOXPU-MLPAPPSSSA-N	374.447	2.170	10	10	FECE	
CCOC(=O)CN1C(=O)/C(=C\c2cn(C(C)(C)C)nn2)c2ccccc21	790225545	QERCMOXBUDFHRI-GDNBJRDFSA-N	354.410	2.483	10	10	FECE	
C[C@H](NC(=O)C(=O)N1CC(CC(F)(F)F)C1)c1ccc(N(C)C)cc1	1323937968	MDTZEUKMGSXJMU-NSHDSACASA-N	357.376	2.341	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C	2124152708	BVRYGYUDFGCWIR-IPYPFGDCSA-N	364.442	2.282	10	10	FECE	
C[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1O)N(C)C	1288646793	FUVVPLBDVZCECB-ZBFHGGJFSA-N	359.474	2.074	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1CC[C@H](Nc2cnccn2)CC1	1465981314	JKFAAFDNCHBZAG-SHTZXODSSA-N	356.426	2.217	10	10	FECE	
COC(=O)c1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)n(C)n1	1545496205	BJUKQICFMBUQFG-UHFFFAOYSA-N	369.377	2.348	10	10	FECE	
CC(=O)Nc1ccc(N2C[C@@H](C(=O)NCc3ccccc3O)CC2=O)cc1	1631536158	QCEGKZFBNBPLAL-HNNXBMFYSA-N	367.405	2.020	10	10	FECE	
O=C(Nc1cccc(F)c1)OC1CN(C(=O)Cc2ccc(O)c(O)c2)C1	1567671095	QQVQJLDIBLSGOR-UHFFFAOYSA-N	360.341	2.239	10	10	FECE	
COC(=O)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)c(F)c1	1636540650	FKPQIPBYSRKQNQ-INIZCTEOSA-N	367.760	2.463	10	10	FECE	
O=C(NCc1ccccc1O)c1nscc1I	1566374066	SAYMMOACPKBADD-UHFFFAOYSA-N	360.176	2.383	10	10	FECE	
COc1ccc(CCC(=O)NCc2c(O)cccc2O)c(OC)c1OC	1652622631	BTWILJUMHFRMOO-UHFFFAOYSA-N	361.394	2.373	10	10	FECE	
O=C(/C=C\c1ccccc1F)NCc1ccc(N2CCNC(=O)C2)cc1	206536629	WRUZRGDCXNENLX-YFHOEESVSA-N	353.397	2.092	10	10	FECE	
CC[C@@](C)(NC(=O)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862299730	HOSGGNFOLDFFFK-HXUWFJFHSA-N	361.486	2.285	10	10	FECE	
Cc1cc(=O)c(OCCC(=O)NC(C)C)cn1CCOc1ccc(N)cc1	1857916815	ODWNVKKZQLCXPS-UHFFFAOYSA-N	373.453	2.111	10	10	FECE	
CC(C)(C)OC(=O)NCCc1nc(NC(=O)CCc2ccc(N)cc2)n[nH]1	2183145689	RGHAMKWXSLUTTG-UHFFFAOYSA-N	374.445	2.025	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2060639686	KSCCQCYVPUIHGF-CHWSQXEVSA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)N[C@@](C)(CO)CNCc1ccc2c(c1)CCCO2	2060802480	PKBXXUMQWMBYNS-LJQANCHMSA-N	350.459	2.377	10	10	FECE	
CCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccccc1O	2072480983	BUKNGDNQSXPLKS-TZMCWYRMSA-N	352.431	2.499	10	10	FECE	
CN1CCc2cc([C@@H](O)[C@H]3CN(C(=O)OC(C)(C)C)CCN3C)ccc21	2106795223	FJVVSOWDHKLILK-QZTJIDSGSA-N	361.486	2.263	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)CCc2ccc(N)cc2)C1	2106718898	BJMMWMOONBIMTP-SMDDNHRTSA-N	357.376	2.117	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(CNCc2cc3c(cc2O)OCO3)C1	2092528349	DFKWTQHVAKFPLK-YJYMSZOUSA-N	362.426	2.468	10	10	FECE	
Cc1ccc(CNCCn2cnc(I)c2)c(O)c1	2221408742	TYCMGJCPPVGJRZ-UHFFFAOYSA-N	357.195	2.292	10	10	FECE	
COCCN1C(=O)C(=Cc2ccc(-c3cccc(C(=O)O)c3)o2)NC1=S	2297461190	VZAYUOPRIGFVJG-UHFFFAOYSA-N	372.402	2.349	10	10	FECE	
CCOC(=O)C=Cc1ccc(S(=O)(=O)NCCc2ccc(N)cc2)cc1	2312506076	RVNNIOHCNPOPSZ-UHFFFAOYSA-N	374.462	2.366	10	10	FECE	
C[C@@H](Oc1ccccc1C=C1SC(=S)N(CCCO)C1=O)C(=O)O	2314929910	UNLNVWPCYSBORG-SNVBAGLBSA-N	367.448	2.122	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@]2(C(=O)N3CCC[C@H](N=[N+]=[N-])C3)CO[C@H]1C2	2334182826	COBHLXSPUZIEEB-NEULZYRMSA-N	365.434	2.360	10	10	FECE	
COc1ccccc1/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O	59860349	XUVYJZFGBUVIAQ-DTQAZKPQSA-N	350.374	2.400	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1	129797021	WOUKYFPGCNKJBP-CYBMUJFWSA-N	372.391	2.057	10	10	FECE	
Cc1noc([C@@H]2COCCN2C(=O)c2cc(C)n(-c3ccccn3)c2C)n1	183757445	KLRXDAONDVBQKX-INIZCTEOSA-N	367.409	2.394	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1	186410476	PQZJPTWLZIDXRA-PBHICJAKSA-N	368.433	2.450	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc(C4CC4)[nH]c(=O)c3)CC2)cc1	184739373	CXVMPALWBXABJM-UHFFFAOYSA-N	353.422	2.223	10	10	FECE	
CCCN1C(=O)/C(=C2/SC(=S)N(CC(=O)O)C2=O)c2ccccc21	83331009	SGOHAHGOCKTTNA-OUKQBFOZSA-N	362.432	2.099	10	10	FECE	
COc1ccc(-n2cc(CNC(=O)/C=C/c3ccc(O)c(O)c3)nn2)cc1	360447369	LDEXIEPUSIFILP-YCRREMRBSA-N	366.377	2.017	10	10	FECE	
CC(=O)N(C)c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1	278696987	FOWMZWUNHMYZCY-UHFFFAOYSA-N	367.449	2.436	10	10	FECE	
COC[C@@H](NC(=O)NCc1cc(Br)ccc1O)[C@H]1CCCO1	805390220	FYDNZFYDEZEWDC-TZMCWYRMSA-N	373.247	2.148	10	10	FECE	
CN(c1ccc(CNC(=O)COCc2nncn2C)cc1)C1CCCCC1	293311480	QFXOCVRHDJMPJI-UHFFFAOYSA-N	371.485	2.417	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)CN3CC(C)(C)C3)cc2F)C[C@@H](C)O1	816891338	PZWVNMSEEZBODH-HUUCEWRRSA-N	363.477	2.397	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3ccnc4[nH]cnc34)C2)cc1	819586115	KAAVGCJIWDBUAJ-CYBMUJFWSA-N	351.410	2.223	10	10	FECE	
NC[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1	827567602	RNBIBIRYCBWJHE-IBGZPJMESA-N	357.429	2.021	10	10	FECE	
O=C(NCc1cccc(Br)c1O)N[C@H]1CCn2ccnc21	836523904	ONZYXBMMJAKIAD-NSHDSACASA-N	351.204	2.295	10	10	FECE	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H]1[C@H]2COC[C@H]21	834513747	CCYPOPZWZHERAQ-MNZLEMJZSA-N	360.454	2.267	10	10	FECE	
Cc1cc(CC(=O)NCC(=O)Nc2ccn(C)n2)c(C)n1-c1ccccc1	834533425	HXEIKTKCXKAIKE-UHFFFAOYSA-N	365.437	2.125	10	10	FECE	
CCc1cc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)no1	740463937	WIXRLIGXQCRPFU-AWEZNQCLSA-N	371.441	2.260	10	10	FECE	
C[C@H]1CN([C@@H](C)CNC(=O)NCCCSc2nccs2)C[C@@H](C)O1	847335549	FJLHVAIBCNINCG-MELADBBJSA-N	372.560	2.422	10	10	FECE	
O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H]1CN(C2CC2)C(=O)O1	847458628	KPBIMAKRYNVVPH-CQSZACIVSA-N	359.426	2.053	10	10	FECE	
Cn1nnc2c1C[C@H](NCc1ccc(N3CCCCC3)c([N+](=O)[O-])c1)CC2	922995936	HYQXHQINCWQIOX-OAHLLOKOSA-N	370.457	2.361	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)CC3CCN(OC)CC3)C2)cc1	854981728	ZNHMBVYVBBWMFC-KRWDZBQOSA-N	361.486	2.301	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)c1cn([C@H]2CCCNCC2)nn1	852825795	VXMANGJUZLLPKB-INIZCTEOSA-N	357.458	2.351	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCC(OC(C)=O)CC3)C2)cc1	854298724	AMCURRFBQDCSDE-OAHLLOKOSA-N	361.442	2.011	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N2CCCC[C@H]([C@@H]3CCOC3)C2)cc1	929237359	JPJVKCANKMWJFX-ZWKOTPCHSA-N	373.497	2.034	10	10	FECE	
COC(=O)[C@H](C[C@H]1CCCO1)NC(=O)c1cc(C)n(-c2ccccn2)c1C	924868343	PTINOQCJXYPQGU-WBVHZDCISA-N	371.437	2.330	10	10	FECE	
COc1ccc(N2CC[C@@H](NC3CCC(CS(C)(=O)=O)CC3)C2)cc1	850487474	NNTBPXGDEDYGAQ-OFLPRAFFSA-N	366.527	2.467	10	10	FECE	
CCCOc1cncc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)c1	861729379	WFELMMRKXVHUFU-UHFFFAOYSA-N	374.416	2.330	10	10	FECE	
CC(C)(C)C(=O)Cn1cc(C(=O)NCc2ccc3cccnc3c2O)nn1	862027963	LEKNPINLZIIWQK-UHFFFAOYSA-N	367.409	2.077	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@@]2(CNC(=O)C2)C1	861403529	XTRJDWPQILVEHG-OAQYLSRUSA-N	365.433	2.259	10	10	FECE	
CCOC(=O)[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)C[C@H]1C(F)(F)F	874908370	YTENYYQPTQTOLV-CZVUKNJHSA-N	373.327	2.311	10	10	FECE	
COc1cc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cnc1Cl	775286498	UUFVSAHPHSPXGD-UHFFFAOYSA-N	359.747	2.158	10	10	FECE	
CC(=O)N1CC[C@H](c2nc(-c3cn(-c4ccc(N)cc4)nn3)cs2)C1	887541258	DLZYFBCRIRMTJS-LBPRGKRZSA-N	354.439	2.309	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCn2c(nnc2C(F)F)C1	897609901	JWNHKPPFNJQOLE-UHFFFAOYSA-N	366.349	2.498	10	10	FECE	
CN(C)[C@@]1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCSC1	896835910	SMFXXNROUKZVCN-MRXNPFEDSA-N	352.481	2.480	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@H](O)CC2(CCOCC2)C1	899235213	AFCPZYKEJZURPL-GFCCVEGCSA-N	363.435	2.316	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CCN3C3CCCC3)CC2)cc1F	1137422668	HAAYLDYQVCVAJW-SFHVURJKSA-N	361.461	2.500	10	10	FECE	
CSc1c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cnn1C	790514857	VAXLJIRKGHAXLE-CYBMUJFWSA-N	360.483	2.470	10	10	FECE	
COc1ccc(O)c(CNC[C@@H]2C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c1	2116204441	BQJFCYSJAOHNQL-XGWLTEMNSA-N	366.458	2.155	10	10	FECE	
COc1cccc(CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2CO)c1O	2116265095	JDSQNZNBNRPQKF-CABCVRRESA-N	366.458	2.108	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@]2(COCCN2CCCCN=[N+]=[N-])C1	2117995911	NKQWPWLZWWEJMV-QGZVFWFLSA-N	369.466	2.415	10	10	FECE	
C[C@H](NCC1(CCO)CN(C(=O)OC(C)(C)C)C1)c1cc(O)ccc1O	2119202996	RIWMUVDXNRWWOX-ZDUSSCGKSA-N	366.458	2.368	10	10	FECE	
C[C@H](NC(=O)C(=O)NC[C@H]1CC2(CCC2)CO1)c1ccc(N(C)C)cc1	1331759845	MIOQAVQOZNSCHD-WMLDXEAASA-N	359.470	2.005	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1cncc(C)c1	1254760989	INIBBMOXBAMPND-YERXGYGTSA-N	370.405	2.105	10	10	FECE	
C[C@H](N=c1nc([C@@H](C)NC(=O)OC(C)(C)C)[nH][nH]1)c1ccc(O)cc1O	2130118657	GTQJZKLCVWUIQD-VHSXEESVSA-N	363.418	2.397	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)c3cnn4c3NC[C@H](C)C4)C2)cc1	1352303766	TYGPKRXWPBRXBL-GJZGRUSLSA-N	369.469	2.210	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@H]1CNCc1cc2c(cc1O)OCO2	1905993741	SWRBWHCJDJSBMV-BFHYXJOUSA-N	362.426	2.466	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1onc2ccccc12	1296053989	BZGFZVWCVKPVJQ-AWEZNQCLSA-N	370.361	2.143	10	10	FECE	
Cc1ccc(C(=O)N2CCc3nc[nH]c3[C@H]2c2cccnc2)c(O)c1O	1469430645	MINDFVPIWKKFDO-MRXNPFEDSA-N	350.378	2.312	10	10	FECE	
COC(=O)[C@H](CNC(=O)c1c(F)ccc(O)c1O)c1ccc(F)cc1	1611258478	WPIAUVDDWBBXQM-LLVKDONJSA-N	351.305	2.063	10	10	FECE	
O=C([C@@H]1CCc2nnc(O)n2C1)N(Cc1ccco1)Cc1ccccc1O	1635647215	BLWFRIWIAFIEPP-CQSZACIVSA-N	368.393	2.074	10	10	FECE	
CN(C)c1ccc([C@@H](NC(=O)c2ccc(CN)cc2)c2nccn2C)cc1	1866013192	VNKPIULWZQCMPA-LJQANCHMSA-N	363.465	2.464	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](O)C1	1878975583	GBYFZOUHOWVSMC-VPZZIHKRSA-N	364.442	2.330	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1ccc(O)c(O)c1	2030123606	OQMJETRYVRFBCT-BBRMVZONSA-N	352.431	2.212	10	10	FECE	
Nc1ccc(OCCC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1	312316924	BYQGXPFNIUWFRG-FQEVSTJZSA-N	369.465	2.055	10	10	FECE	
Cc1ccc(Cn2nc(C(=O)NC3CC3)c(N)c2C(F)(F)F)c(O)c1	2079228841	APLVBCZVNNFGQH-UHFFFAOYSA-N	354.332	2.439	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H](CC(=O)N2CC[C@@H](N=[N+]=[N-])C2)C1	2080209870	DWPIAJCALPSPEU-QWHCGFSZSA-N	353.423	2.171	10	10	FECE	
CN1CCCc2cc([C@@H](N)[C@@H](O)C3CN(C(=O)OC(C)(C)C)C3)ccc21	2106941635	AVJUYODDPWURLR-MSOLQXFVSA-N	361.486	2.297	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)COc2ccc(N)cc2)[C@H]2CC[C@@H]21	2112100960	IMMWGKBTDQWBLY-HOTGVXAUSA-N	361.442	2.258	10	10	FECE	
[N-]=[N+]=NCCCN[C@]1(C(=O)O)CN(Cc2ccccc2)[C@]2(CCOC2)C1	2100065855	CHBOXXAXCUYFQH-MSOLQXFVSA-N	359.430	2.165	10	10	FECE	
O=C(c1cccc(O)c1O)N1CC[C@H]2COC[C@@H](C1)N2Cc1ccccc1	2204524958	JKKWJXSOQZGKNT-DLBZAZTESA-N	368.433	2.213	10	10	FECE	
CC(C)(C)OC(=O)NC1(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])CCOCC1	2218743582	GIJJKCWTKBMSFU-VXGBXAGGSA-N	353.423	2.408	10	10	FECE	
CCOC(=O)[C@]12O[C@@]1(Cc1ccc(OC)cc1)C(=O)c1ccccc1C2=O	59370399	VVQKJNGARBJVDE-SFTDATJTSA-N	366.369	2.388	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCC(CN3CCCC3)CC2)cc1	171388403	QOWHRABWKQKALC-UHFFFAOYSA-N	358.530	2.177	10	10	FECE	
CC(=O)C(=O)COC(=O)c1cnn(-c2cccc(Br)c2)c1C	808515390	OTCJGICBHBZANA-UHFFFAOYSA-N	365.183	2.258	10	10	FECE	
CC(=O)N[C@@H](C(=O)NCc1cc(Br)ccc1O)C1CCCC1	804735579	AFDQRLLKXUNNEH-OAHLLOKOSA-N	369.259	2.466	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C[C@H]2CCCS(=O)(=O)C2)cc1	293011128	HLQKLAGTYJHCGK-MRXNPFEDSA-N	352.500	2.364	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3CCCc4n[nH]cc43)C2)cc1	819584674	OITPSQIEMFIWDB-YOEHRIQHSA-N	354.454	2.481	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1	835027585	FGORAOURBNPCBM-RDBXKPKDSA-N	356.514	2.004	10	10	FECE	
CCN(CC)c1ccc(CNS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1F	731356590	LLKJOWBALGARKO-OKILXGFUSA-N	373.494	2.116	10	10	FECE	
Oc1ccccc1CN(Cc1cnnn1[C@H]1CCCNC1)C[C@@H]1CCCO1	903905636	KOMUOPZMNWXGKX-HKUYNNGSSA-N	371.485	2.089	10	10	FECE	
CC(C)n1ncnc1CNC(=O)c1csc(Cc2ccc(N)cc2)n1	832178062	MAOTXKFGBUNXSQ-UHFFFAOYSA-N	356.455	2.419	10	10	FECE	
Cn1cc(N2CCC[C@H](NC(=O)NCc3cc(Cl)ccc3O)C2)cn1	845014678	YOGQENNOORXCOU-AWEZNQCLSA-N	363.849	2.247	10	10	FECE	
COCc1cc(O)ccc1NS(=O)(=O)c1c(OC)cccc1OC	840917108	FINDKJIGRFUSKU-UHFFFAOYSA-N	353.396	2.357	10	10	FECE	
COC(=O)/C=C\c1ccc(N2C[C@@H](C(=O)OC)[C@H](C3CC3)C2)c([N+](=O)[O-])c1	845779501	IISDZAMAYJMZFF-FEDKZRLMSA-N	374.393	2.416	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@]3(c4ccccc4)CCNC3)C2)cc1	851639360	DNXMYXBJNNKFHD-GCJKJVERSA-N	365.477	2.321	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](C)Cn2cncn2)c1	858558263	MAFRGWVECRCZSB-CYBMUJFWSA-N	351.410	2.317	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3[C@H]4CCCC[C@H]43)nc12	750918431	ZJMQNWUSZDAUJX-JYAVWHMHSA-N	359.382	2.091	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@H]2[C@H]3CC[C@@H](CN3)[C@H]2C1	861590608	URVCRJAQRYWVMG-MTFMMBMASA-N	352.482	2.202	10	10	FECE	
COC[C@@]1(C(=O)OC)CCCN1Cc1c(O)cccc1Br	862419029	NCNNUULRIXGJEH-OAHLLOKOSA-N	358.232	2.309	10	10	FECE	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NC[C@@H](C)S(N)(=O)=O)c2C)c1	768603445	CIDZXQNXFUZLLR-CQSZACIVSA-N	363.483	2.118	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN(CC(F)F)CC3CCC3)nc12	761726502	SIVJQZBLJCNZLZ-UHFFFAOYSA-N	368.384	2.479	10	10	FECE	
COC(=O)[C@H](C[C@H]1CCCO1)NCc1cc(Br)ccc1O	895863102	KVRSSCQOWPSPMG-OLZOCXBDSA-N	358.232	2.355	10	10	FECE	
O=C(O)CCCc1ccccc1NS(=O)(=O)c1cccc2nonc12	798410153	NKQXUFLXHNAMNU-UHFFFAOYSA-N	361.379	2.431	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(C=O)[nH]c1C	1152400942	GVQQUXFYUFRJIE-UHFFFAOYSA-N	364.785	2.310	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CC(=O)NCc1c(O)cccc1O)C1CC1	1304053772	RTKTVFKHTLHJBK-CYBMUJFWSA-N	350.415	2.407	10	10	FECE	
COc1cccc(O)c1CN[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO	2116271759	ZCIHAHRBKWHUOH-HIFRSBDPSA-N	366.458	2.108	10	10	FECE	
CN(C)c1ccc(CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2CO)cc1	2116264433	FGFFUCMQRYHQHK-WMZOPIPTSA-N	363.502	2.460	10	10	FECE	
CC1(CNC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCC1	1323854581	OZUJDZJXVPVFKO-INIZCTEOSA-N	360.454	2.206	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@](C)(CNCc2cccc(O)c2O)C1	2135090192	BYJZPZCLAGYDER-LJQANCHMSA-N	366.458	2.461	10	10	FECE	
COc1ccc(N2CC[C@H](NCc3c(Cl)nc(OC)n3C)C2)cc1	1350582466	DAEWXLJKULWQNZ-LBPRGKRZSA-N	350.850	2.459	10	10	FECE	
COC(=O)C1CCN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)CC1	1517657882	ZXWUNMTZLCPEDG-UHFFFAOYSA-N	371.485	2.399	10	10	FECE	
Cc1c(C(=O)NCc2ccc(O)cc2O)nnn1-c1ccc(F)c(F)c1	1451763738	BLMOPKAPZCYKDN-UHFFFAOYSA-N	360.320	2.195	10	10	FECE	
CCN(C)[C@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1	1471546302	AZLRKOYPFCSTHP-OALUTQOASA-N	361.534	2.091	10	10	FECE	
O=C(Cc1ccc2c(c1)OC(F)(F)O2)NCCc1ccc(O)c(O)c1	1622753000	BGGCSCRFGXWWTM-UHFFFAOYSA-N	351.305	2.321	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H](c1ccccc1)c1nc[nH]n1	1556594727	GHTGUPPKXZCCID-SOIVGHGOSA-N	350.378	2.177	10	10	FECE	
COc1cc(OCC(=O)NCc2c(O)cccc2F)ccc1[N+](=O)[O-]	1635360506	NFVKHBOEKNTFED-UHFFFAOYSA-N	350.302	2.143	10	10	FECE	
COC(=O)c1cc(C(=O)NCc2c(O)cccc2F)n(-c2ccccc2)n1	1645047873	BAWHDNWDPBWAHP-UHFFFAOYSA-N	369.352	2.434	10	10	FECE	
O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NCc1c(O)cccc1O	1647177570	FKGNMCQNPJDIEQ-UHFFFAOYSA-N	369.204	2.451	10	10	FECE	
Cc1c(Br)cnc(O)c1C(=O)NCc1cc(O)ccc1O	1593881724	NASDOKPBECUCOE-UHFFFAOYSA-N	353.172	2.199	10	10	FECE	
Cc1nc(CCn2c(C3CC3)nnc2N(C)Cc2ccccc2O)n[nH]1	1751789349	MFPZNEQULLTOJR-UHFFFAOYSA-N	353.430	2.167	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	1597569769	SLCRDBHMKGAVEL-NSHDSACASA-N	360.797	2.421	10	10	FECE	
CO[C@H](CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1)C1CCCC1	1684308139	NQGOIWYUQIJMOQ-HXUWFJFHSA-N	374.529	2.443	10	10	FECE	
Nc1ccc(-n2nnc(C(=O)Nc3ccc(Cc4ccncc4)cc3)n2)cc1	1857878485	DIVUHUIBGKIVLX-UHFFFAOYSA-N	371.404	2.483	10	10	FECE	
C[C@H](NC(=O)CN1CC(CNC(=O)OC(C)(C)C)C1)c1ccccc1O	1877569078	YDEPYSZJHOSXRU-ZDUSSCGKSA-N	363.458	2.026	10	10	FECE	
COc1ccc(O)c(CNC[C@H]2CN(C)CCN2Cc2ccccc2)c1	694766390	LGQMLCXWVLIZDH-IBGZPJMESA-N	355.482	2.307	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])CO1	2060610375	HEVRUBPMKLBTKL-JHJVBQTASA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COCC[C@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2060633069	JPNXYNFRFRADCK-JHJVBQTASA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1CC(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2067675491	ARXHLYBESHHNHF-JHJVBQTASA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)NCCCCCNC(=O)c1cc(O)c(O)c(O)c1	2068617594	KDQIJZJFSYOWPC-UHFFFAOYSA-N	354.403	2.228	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCCOc3ccccc32)=C[C@@H]1O	2200998564	LHLFVXCWFSZGHI-ZBFHGGJFSA-N	374.437	2.386	10	10	FECE	
C/C=C/CNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2080869602	OSGGFUMIIVABDE-GFUIURDCSA-N	350.415	2.226	10	10	FECE	
CC(C)(C)OC(=O)NC1CCN(CC(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])CC1	2225791222	BTSUZEGLIPOPKP-UONOGXRCSA-N	366.466	2.323	10	10	FECE	
CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)N[C@H]3CCC[C@@H]3N=[N+]=[N-])(C1)C2	2254819022	TZJLHVHCNYMGLN-GREKMHCPSA-N	351.407	2.160	10	10	FECE	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1nc2ccccc2[nH]1	2297053643	MZQSXSFEKSRJMA-UHFFFAOYSA-N	350.309	2.368	10	10	FECE	
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC)C2=O)cc1	2297315485	BRWITMPBHYAPHO-UHFFFAOYSA-N	352.346	2.370	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2312334267	QNQGXNYMDXQPAA-RVMXOQNASA-N	353.423	2.264	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C[C@@H]2OCC[C@@H]21	2331230301	IDFTWZSDDAKGLN-XUXIUFHCSA-N	365.434	2.312	10	10	FECE	
COc1ccc(NC(=O)C(=O)N(C(C)=O)c2ccc(N)cc2)cc1Cl	170318073	QZMLEKICYLEFNE-UHFFFAOYSA-N	361.785	2.449	10	10	FECE	
Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/C=C1\C(=O)NC(=S)N=C1O	59858004	RRTGLFJVQAOXKS-UHFFFAOYSA-N	371.378	2.152	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N2C[C@@H](C)Oc3cc(F)ccc32)c1	173515589	KWOLNRXVSKSOLV-MJRJWQSSSA-N	355.369	2.408	10	10	FECE	
CCOc1cccc(CN2CCN(Cc3c(C)nn(C)c3C)CC2)c1O	121445526	XNAXOGAXSNLWEH-UHFFFAOYSA-N	358.486	2.459	10	10	FECE	
O=C1c2ccccc2CCN1CCNCc1ccc(N2CCOCC2)cc1	189045775	HJBFOEPFVPNMHP-UHFFFAOYSA-N	365.477	2.311	10	10	FECE	
Cn1nnc2ccc(C(=O)NCc3ccc(N4CCSCC4)cc3)cc21	185226550	HGWFQZSCZQSGPM-UHFFFAOYSA-N	367.478	2.452	10	10	FECE	
CCOCCN1CCN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1CC	120995989	JHNMWXAPNRJMAG-HXUWFJFHSA-N	361.530	2.456	10	10	FECE	
COc1ccc(N2CCN(C(=O)CNCCc3ccc(F)cc3)CC2)cc1	243806555	QNYMTPCOJHXKIL-UHFFFAOYSA-N	371.456	2.315	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC(N3CCCC3=O)CC2)c([N+](=O)[O-])c1	264296672	QZBJDWFXBUKWKO-FNORWQNLSA-N	373.409	2.372	10	10	FECE	
COC(=O)c1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)nc1	286042057	QNYREARWAWUVIX-UHFFFAOYSA-N	355.438	2.337	10	10	FECE	
CN1CCC[C@H](CNC(=O)NCc2cc(Br)ccc2O)C1	805183773	JZTLIGIRRGKJCG-LLVKDONJSA-N	356.264	2.296	10	10	FECE	
C[C@H](NC(=O)N[C@H]1CCc2nc[nH]c2C1)c1ccc(N2CCOCC2)cc1	811867627	PWGZRWNMUPTRKV-HOCLYGCPSA-N	369.469	2.164	10	10	FECE	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C12CCN(CC1)C2	901127565	LGJGQUKIEHEHMW-MRXNPFEDSA-N	363.889	2.222	10	10	FECE	
CCOc1ccncc1S(=O)(=O)NCCCSc1nccs1	830497993	DUKYTOCQECTGAC-UHFFFAOYSA-N	359.498	2.398	10	10	FECE	
COC(=O)c1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1Cl	849244242	WOSQHWCFOFSQJG-LCYFTJDESA-N	366.826	2.429	10	10	FECE	
COc1ccc(N2CCC(N3C(=O)N4CCC[C@@H]5C[C@@]54C3=O)CC2)cc1	924580011	RYABYSRSVMEACD-VLIAUNLRSA-N	355.438	2.481	10	10	FECE	
O=C(NCC[C@H]1CCCOC1)NCc1ccc(N2CCOCC2)c(F)c1	858154441	HRIKJTBYMYRPSL-OAHLLOKOSA-N	365.449	2.278	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CCCc4c[nH]nc43)C2)cc1	852453120	GJPOVQUESDFLMD-RHSMWYFYSA-N	355.442	2.374	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc(NC(N)=O)cc3)C2)cc1	855229784	QICBPNXMWRMTMB-OAHLLOKOSA-N	354.410	2.195	10	10	FECE	
COc1ccc(OCC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1	855229736	PUYDSUFKFDLDSP-OAHLLOKOSA-N	356.422	2.478	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](CO)c3ccsc3)C2)cc1	852451832	QAAPKDHZMHJZPM-PBHICJAKSA-N	361.467	2.368	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](OC)C(F)(F)F)C2)cc1	852104984	HOFLHYFHMZJFCD-SMDDNHRTSA-N	361.364	2.150	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCC([C@]3(C)COC(=O)N3)CC2)c1O	932092913	HGTDFJUYDZYVKT-SFHVURJKSA-N	350.390	2.444	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cncc3c2CCCC3)cc1	850338215	AZEXRKAPCPUVBB-UHFFFAOYSA-N	352.438	2.281	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@@](C)(O)c3ccccc3)C2)cc1	852453184	HANAFPFCYQYFBV-DYESRHJHSA-N	369.465	2.481	10	10	FECE	
CC1CCN(c2ccc(CN3C(=O)N[C@H](c4ccn(C)n4)C3=O)cc2)CC1	761273201	AIQQAIALCSRZKL-GOSISDBHSA-N	367.453	2.450	10	10	FECE	
CCn1ncc(CNC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)n1	862377639	JXKJGPNEZKGWKG-UHFFFAOYSA-N	351.410	2.448	10	10	FECE	
CCN(CC)C(=O)[C@@H]1CCCN1Cc1ccc(N2CCN(C)CC2)cc1	775664669	UIASSHQIYFPORQ-FQEVSTJZSA-N	358.530	2.271	10	10	FECE	
C[C@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC[C@@H](C)O1	889660825	IWYVCYXMBULFKS-SJORKVTESA-N	360.502	2.147	10	10	FECE	
CCn1cccc1C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	1123784986	AJVJQDHHVHILBM-UHFFFAOYSA-N	373.453	2.496	10	10	FECE	
O=[N+]([O-])c1cc(Cl)cc(CN2C[C@H](O)CC3(CCOCC3)C2)c1O	895721743	ILIBRPDGLOELRC-CYBMUJFWSA-N	356.806	2.317	10	10	FECE	
COc1ccc(N2CCCN(CN3C[C@@H](C(F)F)CC3=O)CC2)cc1	795410814	JVHSABLZQDQNER-AWEZNQCLSA-N	353.413	2.278	10	10	FECE	
C[C@@]12CN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C[C@H]1[C@@H]1C=C[C@H]2C1	1324510236	YCGKLLPTLLJWHY-XHUUTOEUSA-N	362.451	2.048	10	10	FECE	
Cc1cccc(O)c1CN=c1nc(C2CN(C(=O)OC(C)(C)C)C2)[nH][nH]1	2127694461	WJNRLLJLYAJYLT-UHFFFAOYSA-N	359.430	2.187	10	10	FECE	
C[C@@H](NC(=O)C(=O)N[C@@H]1CC=CC[C@H]1C)c1ccc(N2CCOCC2)cc1	1340600803	CQJUDEOSLRLVJI-GPMSIDNRSA-N	371.481	2.171	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(CCc2ccc(N)cc2)C1	2132280888	LOXRIBGMGRCYLP-HOTGVXAUSA-N	363.458	2.254	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)N[C@@H]1C[C@H]2C=C[C@H]1CC2	1351164687	LIWCKYGDXLXTRL-RWMBFGLXSA-N	351.497	2.212	10	10	FECE	
Cc1cc(CC(=O)N[C@@H](C(N)=O)c2ccccn2)c(C)n1-c1ccccc1	1436439959	USOGKWGYSYOCRN-HXUWFJFHSA-N	362.433	2.374	10	10	FECE	
Cc1nc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)sc1C(N)=O	1452465078	MFVKILCVQWTBEZ-UHFFFAOYSA-N	369.450	2.283	10	10	FECE	
Cc1ccc(C(=O)N(C)C2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c(O)c1O	1529304340	JKERJZZJTYMCJB-STQMWFEESA-N	362.426	2.344	10	10	FECE	
C[C@H]1CC[C@@H]1NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136261865	OVJRSEVEMQURQC-UBHSHLNASA-N	364.442	2.448	10	10	FECE	
COC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)/C=C/c1cnc(C)s1	1544608945	AVMOAPSTKWSERV-GQCTYLIASA-N	357.391	2.237	10	10	FECE	
O=C(C[C@H]1CCCC[C@@H]1O)NCc1ccc(N2CCOCC2)c(F)c1	1542113476	ZCPDMNDWVNLGPO-QAPCUYQASA-N	350.434	2.220	10	10	FECE	
C[C@@H](NC(=O)c1cc2n(n1)CCC[C@@H]2O)c1ccc(N2CCOCC2)cc1	1626977914	FVQGYYUYLMBLBY-KUHUBIRLSA-N	370.453	2.038	10	10	FECE	
COC(=O)CCN(C[C@H]1CCCO1)C(=O)c1ccc(N=NC(N)=O)cc1	1628131021	LEMQRUDRZRFGAI-CQSZACIVSA-N	362.386	2.033	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H](NCc3ccc(O)c(O)c3)CO2)C1	2137110268	GSXFMCQFBWRAFJ-KUHUBIRLSA-N	364.442	2.356	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)[C@@](C)(O)Cc2ccccc2)N(C)C)cc1	1637005035	ZTTOOIMXRVWEOW-UNMCSNQZSA-N	369.509	2.465	10	10	FECE	
O=C(NCc1ccc(O)cc1O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O	1643100599	CVHUIXGXSOVADQ-HNNXBMFYSA-N	360.797	2.421	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCN(Cc2cc3ccccc3[nH]2)CC1	1643003905	XTENKIBJSZLOLS-UHFFFAOYSA-N	365.433	2.466	10	10	FECE	
CCC(=O)Oc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1OC	996245	ONWOTPSZWGMRPP-RVDMUPIBSA-N	366.373	2.472	10	10	FECE	
O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1c(F)ccc(O)c1O	1654212828	ZXSPSAQSARLZLO-UHFFFAOYSA-N	366.370	2.029	10	10	FECE	
Cc1ccn2cnc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)c2c1	1596523342	OECCTTMTVWBVTD-UHFFFAOYSA-N	363.465	2.325	10	10	FECE	
COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)N[C@H](C)c1ccccc1O	1685653889	IOCHTLQULCRTIS-YPMHNXCESA-N	358.398	2.271	10	10	FECE	
CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCc1ccc(O)c(O)c1	159004605	SFMUQLHBTZEFJH-KRWDZBQOSA-N	360.385	2.308	10	10	FECE	
CCN[C@@H](C)c1ccc(N2CCS(=O)(=O)CC2)cc1Br	233571203	UEQVTMHHINORAQ-NSHDSACASA-N	361.305	2.354	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]12CC[C@@](C(=O)NCCCN=[N+]=[N-])(CO1)C2	1964882742	GUUZSVRHFOWSLN-HOTGVXAUSA-N	353.423	2.267	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)[C@@H](N)CC(=O)OCc1ccccc1	388582914	WSIHJOOBSWYIBC-YOEHRIQHSA-N	356.422	2.372	10	10	FECE	
C[C@H](CN(C)C(=O)CCOc1ccc(N)cc1)NC(=O)OC(C)(C)C	2044650300	KWVUPQLYPKNPFK-CYBMUJFWSA-N	351.447	2.409	10	10	FECE	
C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2060632744	FKJILXUTCJBDAC-FRRDWIJNSA-N	355.439	2.200	10	10	FECE	
CC[C@H](CN(C)C(=O)c1cc(O)c(O)c(O)c1)NC(=O)OC(C)(C)C	2068622218	VGXADAYJUHGORD-LLVKDONJSA-N	354.403	2.179	10	10	FECE	
COCC1(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])CN(C(=O)OC(C)(C)C)C1	2218738820	RESRRQBCMAWMQA-NEPJUHHUSA-N	353.423	2.218	10	10	FECE	
COc1cc(OC)c(N(Cc2ccccc2)CC2(O)CNC2)c(OC)c1	2271545026	ICXIRXKKBVDDNJ-UHFFFAOYSA-N	358.438	2.053	10	10	FECE	
CC(C)(C)OC(=O)NCCOC1CCN(Cc2cc(N)ccc2O)CC1	2266705281	ZBBSEGWFRCNRCG-UHFFFAOYSA-N	365.474	2.480	10	10	FECE	
CNC(=O)c1cncc(C=CC(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c1	2297608098	TVYHLLRTALKLJX-UHFFFAOYSA-N	366.377	2.342	10	10	FECE	
CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)C=Cc1ccc(O)c(O)c1	2310448372	YRAZQPHKFMCMPJ-KSSFIOAISA-N	357.410	2.364	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(NCc3cccc(O)c3O)CO[C@H]1C2	2312826716	CCFDBRDGWAWLDG-UVBSCNOISA-N	350.415	2.012	10	10	FECE	
CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N(CC)CCN=[N+]=[N-]	2315986966	LHHBAPFWRJFELZ-QWHCGFSZSA-N	355.439	2.417	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)C12CC(NC(=O)OC(C)(C)C)(C1)[C@@H](C)O2	2315992736	QQWJOUMVNMVQNW-VHWKEVPUSA-N	353.423	2.360	10	10	FECE	
O=C(O)Cc1ccc(N=NN2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1	2330156111	XMOWKNLEQXLZII-UHFFFAOYSA-N	370.369	2.438	10	10	FECE	
C[C@@H]1CCCCN1CCNC(=O)NCc1ccc(N2CCOCC2)cc1	54787081	DWTJLPSBAKWSTB-QGZVFWFLSA-N	360.502	2.197	10	10	FECE	
C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)C(=O)NCc1ccco1	101609649	SGNXDSXBWRKSAA-CQSZACIVSA-N	370.453	2.166	10	10	FECE	
C[C@H](NC[C@H](C)N1CCOCC1)c1ccc(N2CCOCC2)c(F)c1	123301628	NNTDUCOCYRIAOG-HOTGVXAUSA-N	351.466	2.034	10	10	FECE	
CCCN(CCC)c1ccc(CNCC2CN(S(C)(=O)=O)C2)cc1	189712560	NHEIVNOSLNERDQ-UHFFFAOYSA-N	353.532	2.294	10	10	FECE	
COc1cccc(CNC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)n1	128910217	GUYIQDBOEXEAAB-UHFFFAOYSA-N	374.416	2.270	10	10	FECE	
C[C@@H](CO)N(C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	132180002	ZLNSYXZKHQUGFW-LBPRGKRZSA-N	357.401	2.279	10	10	FECE	
Cc1ccc(CNC(=O)C[C@@H](N)C(F)(F)F)c(O)c1Br	2380752347	UYOCODPQBIIXPA-MRVPVSSYSA-N	355.154	2.359	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]12[C@H]3C(=O)[C@H]4[C@H]5C[C@@H]([C@@H]41)[C@H]2[C@H]53	800467063	KOSFMJWKXFMSLK-ALJIYQPSSA-N	350.462	2.428	10	10	FECE	
NC(=O)c1cc(NS(=O)(=O)c2cc(F)cc(F)c2O)ccc1Cl	821145145	RUPLMYDATSCSST-UHFFFAOYSA-N	362.741	2.224	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@]2(C)C1=O	839953453	RDCKMNKNYRQVMB-OAZVVGOESA-N	353.466	2.339	10	10	FECE	
COc1ccc(N2CCN(CN3C(=O)[C@@H](C4CC4)[C@H]3C3CC3)CC2)cc1	839947343	DOEXHHNBIBDCAN-VQTJNVASSA-N	355.482	2.422	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc([C@@H]2CCC(=O)N2)cc1	907275029	VHBJADOJLXRVRX-LRDDRELGSA-N	354.406	2.410	10	10	FECE	
O=C(NCc1cccc(Br)c1O)[C@H]1CCc2nc[nH]c2C1	834475969	JUMVXGKQVHZSHW-VIFPVBQESA-N	350.216	2.299	10	10	FECE	
C[C@@H](NS(=O)(=O)c1cnn2c1OCC(C)(C)C2)c1ccccc1O	919117450	DBOMWBJMKFWMDK-LLVKDONJSA-N	351.428	2.047	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Cc3ccc4c(c3)OCO4)C2)cc1	855231940	ZBOQHXWCGDGENL-HNNXBMFYSA-N	354.406	2.362	10	10	FECE	
CN(C)Cc1csc(CNCc2ccc(N3CCC(O)CC3)cc2)n1	922486330	BBESDSUXRNZXBP-UHFFFAOYSA-N	360.527	2.456	10	10	FECE	
COC1(C(=O)NCc2cc(NC(=O)C3(OC)CCC3)ccc2O)CCC1	923123155	WFOHWDRYNAAGIO-UHFFFAOYSA-N	362.426	2.085	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N(C)[C@H](C)c3nc(C)no3)C2)cc1	852449675	VTOPTWXSTUPSJP-TZMCWYRMSA-N	359.430	2.368	10	10	FECE	
CCO[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(C)C	859734082	JPXNEDIQJGQMAF-SFHVURJKSA-N	352.450	2.464	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H](O)Cc3cccc(OC)c3)C2)cc1	855224181	FLWOFXDGXSCOBN-UZLBHIALSA-N	370.449	2.002	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N(CC3CCOCC3)OC)C2)cc1	854297834	RXLDFUKJJNRZLH-MRXNPFEDSA-N	363.458	2.274	10	10	FECE	
CN(C)C(=O)C1CCC(C(=O)NCc2ccc3cccnc3c2O)CC1	862025425	SWSIOLLNCPSXJT-UHFFFAOYSA-N	355.438	2.451	10	10	FECE	
Cc1cc(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)nn1C	768911375	MREQFQQMHBLRKZ-UHFFFAOYSA-N	367.497	2.191	10	10	FECE	
C[C@@H](O)[C@@H]1CN(Cc2cc(Cl)cc(Br)c2O)CCO1	895015171	DLJROXCRGVXMDS-PELKAZGASA-N	350.640	2.390	10	10	FECE	
COC(=O)c1c(CN2CCO[C@@H](C(=O)C3CC3)C2)c2cc(F)ccc2n1C	894683193	MROFHDNVHOQQLC-QGZVFWFLSA-N	374.412	2.284	10	10	FECE	
Cc1nc2c(C(=O)NCc3ccc(N4CCOCC4)cc3)ccnc2[nH]1	797839166	VXHLBSQCPSRQTG-UHFFFAOYSA-N	351.410	2.033	10	10	FECE	
Cn1nc(C(=O)NCc2ccc(O)c(O)c2)cc1NC(=O)OC(C)(C)C	1150377650	LGHWNESTIHPDDK-UHFFFAOYSA-N	362.386	2.108	10	10	FECE	
CN1Cc2ccccc2[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1=O	1167231927	MCPKRWLZRQSHAR-HNNXBMFYSA-N	351.366	2.292	10	10	FECE	
CCc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CC(C)(C)O	1513790907	WWRMMNXBPXOVPQ-UHFFFAOYSA-N	373.501	2.084	10	10	FECE	
CN(C)[C@H]1CCC[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1	1454001080	AVBDAMPOFDUDPW-HKUYNNGSSA-N	359.514	2.384	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCO[C@](C)(C(F)(F)F)C2)cc1	1620515054	XUSNUDXBPHNDOS-INIZCTEOSA-N	359.392	2.022	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)NC[C@@H]3CCC(C)(C)CO3)cc2)CC1	1638007075	CGCOGEYAFRDGRL-IBGZPJMESA-N	374.529	2.443	10	10	FECE	
O=C(NCc1c(O)cccc1F)c1nccn2c(Br)cnc12	1635360194	CVCROLSNFXEOCX-UHFFFAOYSA-N	365.162	2.267	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1	2124318646	ZYSSNDFSJJLOSD-KGLIPLIRSA-N	362.426	2.226	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](C(=O)N1CCC[C@@H]1CN=[N+]=[N-])[C@@H]1CCOC1	2124506749	AJGXIIPUUCZBDD-MGPQQGTHSA-N	367.450	2.465	10	10	FECE	
O=C(NCc1c(O)cccc1F)c1ccc(CNC(=O)C(F)(F)F)o1	1646035290	VRSNPWPQTLZMJF-UHFFFAOYSA-N	360.263	2.233	10	10	FECE	
Cc1cc(C(=O)N2CCC(OCCCO)CC2)c(C)n1-c1ccccn1	160284051	YZOVTKBJLRXJBS-UHFFFAOYSA-N	357.454	2.493	10	10	FECE	
CN(C)c1ccc([C@@H](NC(=O)C2CCC(=O)CC2)c2nccn2C)cc1	1865988073	PSELQNAQSYVSEH-GOSISDBHSA-N	354.454	2.451	10	10	FECE	
CC1(C)CN(C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1	2136260516	DNPKOQAQOXBJJK-ZDUSSCGKSA-N	364.442	2.402	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(CNCc2cc(F)ccc2O)CC1	1918931745	VCATVHUILGKGHF-UHFFFAOYSA-N	354.422	2.383	10	10	FECE	
Cc1ccc(O)c(CNCC2(CCO)CN(C(=O)OC(C)(C)C)C2)c1	1972800355	LKFQELRRDGJICZ-UHFFFAOYSA-N	350.459	2.410	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](NCc1ccc(O)c(O)c1O)C(F)(F)F	401686679	WYSKSRRFKIAUDA-JTQLQIEISA-N	366.336	2.349	10	10	FECE	
CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1NCc1ccc(O)cc1O	310808210	AYPUCVTYTAELQT-NUEKZKHPSA-N	352.431	2.258	10	10	FECE	
C[C@H]1CN(Cc2ccccc2)CCN(C[C@H](O)COc2ccc(N)cc2)C1	323305293	CYSGYFYRMRKNSV-RXVVDRJESA-N	369.509	2.462	10	10	FECE	
Cc1ccc(O)c(Cn2nc(C(=O)NC3CC3)c(N)c2C(F)(F)F)c1	2079233130	NHUNICIHSKHVOL-UHFFFAOYSA-N	354.332	2.439	10	10	FECE	
C[C@H]1[C@@H](C)N(c2cc(Br)c(CN)cc2F)CCS1(=O)=O	2170280474	RXWBPELPKOROMM-BDAKNGLRSA-N	365.268	2.059	10	10	FECE	
COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(N)ccc1O	2044654713	HXIAQSQAHFBQFW-HNNXBMFYSA-N	351.447	2.042	10	10	FECE	
C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)c1cc(O)ccc1O	2052722816	RTLQFNRIFOJVET-PEYYIBSZSA-N	352.431	2.119	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)[C@H]1COC[C@H]1NC(=O)OC(C)(C)C	2106849605	YHCDSEJDQLUQOH-LZLYRXPVSA-N	361.486	2.479	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@]2(C(=O)NCC3(CN=[N+]=[N-])CC3)CO[C@H]1C2	2266116230	XVXWTWJIYHAOND-PRXAMGSTSA-N	365.434	2.265	10	10	FECE	
Cc1ccsc1C=C1SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O	2296663453	RTIDYNYOKYDRPP-SECBINFHSA-N	359.519	2.445	10	10	FECE	
CN1C(=O)C(=Cc2ccc3c(c2)OCO3)C(=O)N(c2ccccc2)C1=O	2297314418	UHQPSNKGXIHFOU-UHFFFAOYSA-N	350.330	2.424	10	10	FECE	
C[C@H]1C[C@H](NC(=O)C=Cc2ccc(N3CCOCC3)cc2)CN1C1CC1	2298049926	XZFZZLIGSSMNID-WMZOPIPTSA-N	355.482	2.278	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N[C@H]1Cc2ccccc2[C@H]1O	2302272296	HLIANXLMBBLRGR-RBBKRZOGSA-N	364.445	2.311	10	10	FECE	
C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CCN1C(=O)OC(C)(C)C)c1ccccc1O	2332173036	OWRLKOACKUGSHN-IPYPFGDCSA-N	364.442	2.330	10	10	FECE	
COC(=O)[C@H]1C[C@H](OC)CN1C(=O)c1ccc(-n2c(C)ccc2C)cc1	111147208	AMYZWRRELVIXHI-ZWKOTPCHSA-N	356.422	2.497	10	10	FECE	
COc1ccc(O)c(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)c1	172042965	NCIBLASHMWHOOO-KRWDZBQOSA-N	354.406	2.322	10	10	FECE	
Cc1ccc(-n2c(C)cc(/C=C/C(=O)N3CCOC[C@@H]3C(N)=O)c2C)cc1	91779041	XMLPTPWAMDWNOJ-MBNRZODZSA-N	367.449	2.128	10	10	FECE	
COC(=O)C[C@@H](N)c1c(O)cc(Br)cc1Br	95715802	XKCKBVBCCIORPC-SSDOTTSWSA-N	353.010	2.480	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC[C@H](CC(F)(F)F)C2)c1	277717153	XTIPKPQNYZLOAO-SECBINFHSA-N	366.361	2.178	10	10	FECE	
CN1CCC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)C1=O	294779357	RQGMXPJNSWDSHT-OALUTQOASA-N	373.497	2.129	10	10	FECE	
COCCCN(Cc1cc(Cl)c(F)cc1O)[C@@H]1CCS(=O)(=O)C1	294951379	QEERCAWBBAFJEP-GFCCVEGCSA-N	365.854	2.210	10	10	FECE	
CC(C)(C)O[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1	827164867	RAMHZWXWDUURBM-SAABIXHNSA-N	373.497	2.365	10	10	FECE	
C[C@H](NC(=O)N1C[C@H](O)C[C@@H]1[C@H]1CCCOC1)c1ccc(N(C)C)cc1	838559161	KSXJBHASKSESQL-IAAVTCLWSA-N	361.486	2.385	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)cc1	842469852	NLMYLMLYPTWYFK-JQHSSLGASA-N	359.470	2.087	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)NC(=O)COC(C)(C)C	845113951	FWESAZUXUHEAGC-UHFFFAOYSA-N	363.502	2.421	10	10	FECE	
CC(C)(C)NS(=O)(=O)C1(CNCc2cc(F)cc(F)c2O)CCC1	922473279	YKSCSKDSAHDATO-UHFFFAOYSA-N	362.442	2.401	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)c3ccsc3)C2)cc1	852451838	QAAPKDHZMHJZPM-WMLDXEAASA-N	361.467	2.368	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cc4c(nc3O)CCC4)C2)cc1	855233529	ZOIPZQMMQNVROU-CQSZACIVSA-N	353.422	2.293	10	10	FECE	
CCON(C)C(=O)CNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C	862132067	WUSBGRSEKBUKJG-UHFFFAOYSA-N	357.410	2.046	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3c[nH]nc3[C@H]3CCCO3)C2)cc1	869229866	AKAUWLQZALAGIU-CXAGYDPISA-N	356.426	2.279	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@H](N)C4(CC4)C3)ccc(N)c2C1	1876217149	HPTNETVQCRNOLI-KRWDZBQOSA-N	358.486	2.490	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC(c2cnn(C)c2)=NO1	1124939295	KJJVQGTYSWNIGZ-LJQANCHMSA-N	369.469	2.416	10	10	FECE	
CN(C)c1ccc([C@@H](CN)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)cc1	1881974359	XAVSLFUPUREXPQ-OKZBNKHCSA-N	360.502	2.446	10	10	FECE	
O=C(O)[C@@]1(O)CCCN(Cc2cc(Cl)cc(Br)c2O)C1	1964721680	INAMLJPAJVJGEJ-CYBMUJFWSA-N	364.623	2.220	10	10	FECE	
C[C@H](NCc1ccc(Br)cc1O)C1CCS(=O)(=O)CC1	1964595166	SBYLHUBJESNPSE-JTQLQIEISA-N	362.289	2.458	10	10	FECE	
Cc1cccc2c1CCC[C@H]2NC(=O)C(=O)NCCc1ccc(N)cc1	1327843385	WFLDXWOLVWFONX-LJQANCHMSA-N	351.450	2.430	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC[C@H]1CC1(Cl)Cl	1261766989	TZKWFIDVRFNJIM-ZDUSSCGKSA-N	372.296	2.377	10	10	FECE	
O=C(C[C@@H]1C[C@H]2CC[C@H]1O2)NCc1ccc(N2CCC(O)CC2)c(F)c1	1618648336	PDQFXGUCSYDGHT-ZSZQSSIHSA-N	362.445	2.361	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(CN=[N+]=[N-])CC1)[C@H]1CCOC1	2124512071	JFWCOOGXPAKKPF-KBPBESRZSA-N	367.450	2.465	10	10	FECE	
Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)c(O)c1O	1640920860	FRPVDYGRUVPXRK-QWHCGFSZSA-N	368.405	2.484	10	10	FECE	
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\N1CCOCC1	13371011	SDRZPCNYSHMWGK-UVTDQMKNSA-N	350.216	2.388	10	10	FECE	
Nc1ccc(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)cc1	160396490	OBQBJYLUONLOAK-UHFFFAOYSA-N	374.194	2.266	10	10	FECE	
C[C@H]1[C@H](NC(=O)c2cc(O)c(O)c(O)c2)CCCN1C(=O)OC(C)(C)C	2132402282	CUZLWWSWRNXNCZ-CMPLNLGQSA-N	366.414	2.321	10	10	FECE	
Cc1nc(NC(=O)c2ccc(O)c(O)c2)ncc1I	2133341439	YGMYERHMAYVPSW-UHFFFAOYSA-N	371.134	2.053	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNC(=O)c3cccc(O)c3O)[C@@H]2C1	2138562178	XJVOLKLFCBOJSX-MRVWCRGKSA-N	362.426	2.331	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(CCCNCc2cccc(O)c2O)CC1	381846534	BFWCHSAGOGJDFV-UHFFFAOYSA-N	365.474	2.130	10	10	FECE	
CCN(c1cc(Br)c(CN)cc1F)[C@@H]1CCS(=O)(=O)C1	387354984	JJCKIYYWLCWQKJ-SNVBAGLBSA-N	365.268	2.060	10	10	FECE	
C[C@H](CNC(=O)CCOc1ccc(N)cc1)N(C)C(=O)OC(C)(C)C	2044204268	KABDWFCBMPXHAJ-CYBMUJFWSA-N	351.447	2.409	10	10	FECE	
O=C1C[C@H](c2ccccc2)N(C(=O)C=Cc2ccc(O)c(O)c2)CCN1	2307986688	RWPYJGYUEMSFHL-MRXNPFEDSA-N	352.390	2.201	10	10	FECE	
CCCCN(C)c1ccc([N+](=O)[O-])cc1C=C1C(=O)N(C)C(=O)N(C)C1=O	59387156	SGCKNUWILDWMEK-UHFFFAOYSA-N	374.397	2.265	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCCN1C(=O)c1ccccc1	179088989	VEYYQSCVCDWSAI-INIZCTEOSA-N	354.406	2.061	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCN(Cc2ccon2)CC1	175640221	IPLZKNZBLDSSRT-UHFFFAOYSA-N	369.469	2.302	10	10	FECE	
Cc1n[nH]c([C@H]2CN(Cc3cc(Br)cc(C)c3O)CCO2)n1	180612173	LLEDYMNEEOWTOQ-CYBMUJFWSA-N	367.247	2.463	10	10	FECE	
C[C@H](CO)[C@@H](C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	265891843	VKCJWZKZHMMORA-KBUPBQIOSA-N	367.465	2.255	10	10	FECE	
CC(=O)C(=O)CSc1nnc(COc2cc(C)ccc2C(C)C)n1N	289633413	MOJKVZLFBLXAPS-UHFFFAOYSA-N	362.455	2.253	10	10	FECE	
CC(C)(C)NS(=O)(=O)CC(=O)NCc1cc(Cl)cc(Cl)c1O	807835468	FXVZSIMCYVWRPN-UHFFFAOYSA-N	369.270	2.033	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC[C@@H](n3ccnn3)C2)c([N+](=O)[O-])c1	819946262	KCHZLSUJNBCANT-BRLPQQTGSA-N	357.370	2.214	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)[C@@H]3C[C@H]3C(F)(F)F)CC2)cc1	822824430	WJYRKFZJVVKFBG-HZPDHXFCSA-N	371.403	2.132	10	10	FECE	
O=S1(=O)CCN(Cc2ccc(Br)cc2O)[C@H]2CCC[C@@H]21	826100731	SWWCPVAXHPCGJG-JSGCOSHPSA-N	360.273	2.306	10	10	FECE	
C/C(=C\C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)CN1CCOCC1	910558169	LMGGRCKONFLJRR-QIPRVMPFSA-N	359.514	2.387	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CC[C@H](C2CC2)N1	846672380	GJRCWWHHFUKOPY-WOJBJXKFSA-N	357.498	2.042	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1CCN1C1CCOCC1	919919210	WZSSJNVKUVXEHS-HXUWFJFHSA-N	370.497	2.115	10	10	FECE	
C[C@H](NC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(N2CCOCC2)c(F)c1	926943303	BZFHZRVIAOIULD-YBKUAAOGSA-N	350.434	2.117	10	10	FECE	
CN(C)c1ccc(CN(C(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)C2CC2)cc1	926652520	ULEAMHVPTONIRN-LZQZEXGQSA-N	359.470	2.231	10	10	FECE	
CCO[C@H](CNC(=O)N(CC)Cc1ccc(N(C)C)cc1)CN(C)C	926820041	BWSQTWHYWSIFEU-GOSISDBHSA-N	350.507	2.251	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NC[C@]2(C)CCC(=O)N2)c1O	848552108	HETPSYVIAKGIFQ-PSLIRLAXSA-N	357.248	2.483	10	10	FECE	
CCn1nc(C)c([C@@H](C)NCCN2CCN(c3ccc(OC)cc3)CC2)n1	924832156	PKVPTZAJOZMYJX-MRXNPFEDSA-N	372.517	2.088	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3c(C4CC4)cnn3C)C2)cc1	852450356	KJNQJVURPGMQLB-HNNXBMFYSA-N	369.469	2.384	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCc4c3cnn4C)C2)cc1	851988430	NDGVRGHSZPIGCN-KBXCAEBGSA-N	369.469	2.384	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3ccn4ccnc4c3)C2)cc1	852455922	WOQVQBXILAYZAN-INIZCTEOSA-N	365.437	2.421	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C3CC3)[C@H](CO)C3CC3)C2)cc1	854297685	QXPQJUKVONUZCJ-DBVUQKKJSA-N	373.497	2.370	10	10	FECE	
Cc1cc(C)nc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)c1	762116399	ZLNQMFSNDPQXQN-UHFFFAOYSA-N	360.395	2.493	10	10	FECE	
COC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)c1cc(C)n(-c2ccccn2)c1C	869986922	NDAOIWDIRHTKJU-QRWLVFNGSA-N	371.437	2.282	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1CCCn2nccc21	868130843	SQDFDDJONNHQFL-QGZVFWFLSA-N	355.442	2.054	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnn4c3CCCC4)CC2)c(OC)c1	870165527	YTQXXSNGEZNPBW-UHFFFAOYSA-N	370.453	2.199	10	10	FECE	
Cn1cc(-c2c[nH]cc2C(=O)NCc2ccc(N3CCOCC3)cc2)cn1	778566024	GCZFISFCDWYPLG-UHFFFAOYSA-N	365.437	2.182	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H]1CCC2(CCC2)O1	1119515051	NUPFUBFHIFVOBD-SFHVURJKSA-N	373.497	2.319	10	10	FECE	
CC(C)c1csc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)n1	789777960	NWTXIYYWYLQZOI-JTQLQIEISA-N	363.439	2.364	10	10	FECE	
CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cc2cc(O)c(O)cc2s1	896612516	HRBDNSIUFMTEPI-CYBMUJFWSA-N	364.467	2.495	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNCc2cc(Cl)ccc2O)C1	702817519	GIMCJNBNJQIENN-DOMZBBRYSA-N	356.850	2.363	10	10	FECE	
Nc1ccc(O)c(CN2CC[C@@]3(CN(Cc4ccccc4)CCO3)C2)c1	717522369	KKUVLMYRKWHKEI-NRFANRHFSA-N	353.466	2.451	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)OCC12CC2	2127542632	JIZSWCAWHIEVCH-CHWSQXEVSA-N	365.434	2.314	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NCC[C@H]2CC2(F)F)cc1F	1331356001	BNEFJKONORWNAG-ZDUSSCGKSA-N	371.403	2.450	10	10	FECE	
CC1=C(Br)CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1	1332039001	QISVSHMRPNGPGK-UHFFFAOYSA-N	365.227	2.136	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCCC[C@H]3N)cc2F)CC1	1346105153	UHBSOHPSBRPGBQ-SJLPKXTDSA-N	362.493	2.101	10	10	FECE	
C[C@H](NC(=O)N1C2CCC1(CO)CC2)c1ccc(N2CCOCC2)cc1	1354148990	JRERVQGBIIOPJL-IJNIYJAUSA-N	359.470	2.283	10	10	FECE	
Cn1cnc(/C=C/C(=O)N2CC(=O)Nc3cc(Br)ccc32)c1	1537605757	GHWSDLFFUDXDMX-HWKANZROSA-N	361.199	2.181	10	10	FECE	
C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(N2CCOCC2)cc1	1544215264	STFKSVDYMGXAMO-AWEZNQCLSA-N	356.422	2.354	10	10	FECE	
Cc1cc2[nH]nc(NC(=O)c3cc4cc(O)c(O)cc4s3)c2c(=O)n1C	1630677430	UMTXYAFGZPGNFJ-UHFFFAOYSA-N	370.390	2.448	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1	1636023099	XDQQMSCCNXIJDV-UHFFFAOYSA-N	368.349	2.164	10	10	FECE	
CCO[C@H]1C[C@@H](O)C12CCN(c1cc(OC)c(OC)cc1[N+](=O)[O-])CC2	1655173630	IPNBHDZJNKAJBL-SJORKVTESA-N	366.414	2.368	10	10	FECE	
COc1ccc(CNC[C@H](C)CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1C	1666590068	YFQJRPMJHSRMMA-ICQHIFQISA-N	358.482	2.269	10	10	FECE	
C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCOC1)c1ccccc1O	1877547837	FCUDJNNZFVAFTP-ZENOOKHLSA-N	364.442	2.499	10	10	FECE	
Nc1ccc(CNC(=O)c2cc(I)sn2)cc1	2007647593	LLFACXLXCBDTBS-UHFFFAOYSA-N	359.192	2.260	10	10	FECE	
O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1	2188867998	KLLRESPXNTYZAI-NVXWUHKLSA-N	368.433	2.398	10	10	FECE	
CN(CCC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1ccc(O)c(O)c1	2056831615	VJKUSTKALUBZQC-UHFFFAOYSA-N	350.415	2.427	10	10	FECE	
CO[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CN=[N+]=[N-])CC1	2060619863	RYVVRNKDVXYVDE-AAEUAGOBSA-N	355.439	2.464	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CC[C@H](N=[N+]=[N-])C2)CC1	2060639104	DXGQWMFOUQOUPX-LBPRGKRZSA-N	353.423	2.050	10	10	FECE	
NC(=O)N1C[C@H]2C[C@H]1CN2Cc1cc(Cl)cc(Br)c1O	2192234066	IHIPFLFDQAILMZ-ZJUUUORDSA-N	360.639	2.145	10	10	FECE	
CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N(C)CCCN=[N+]=[N-]	2063955373	ZVTDAVHPQYRBRZ-CHWSQXEVSA-N	355.439	2.417	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)COc3ccc(N)cc3)[C@H]2C1	2106268548	NGXKZNMWGKSYSX-RCBQFDQVSA-N	361.442	2.019	10	10	FECE	
CN(c1cc2c(cc1N)OCC(=O)N2)C1CC(NC(=O)OC(C)(C)C)C1	2106842573	ZQGDDNICWSDEET-UHFFFAOYSA-N	362.430	2.092	10	10	FECE	
CCS(=O)(=O)C[C@@H](C)N(C)c1ccc(CO)c(Br)c1	2114146114	VLHIXHHREMWZNK-SNVBAGLBSA-N	350.278	2.201	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])C1	2218736447	YWQXAFDMBMYCSL-LPWJVIDDSA-N	353.423	2.406	10	10	FECE	
Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2225791887	IFUISVDTVPWUBW-NEPJUHHUSA-N	363.422	2.406	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)N1CCC[C@@H]1CN=[N+]=[N-])[C@H]1CCOC1	2259903268	UKKXZCSBGQRJQG-OLZOCXBDSA-N	353.423	2.314	10	10	FECE	
CCCN1C(=O)C(=C2SC(=S)N(CC(=O)O)C2=O)c2ccccc21	2296657782	SGOHAHGOCKTTNA-UHFFFAOYSA-N	362.432	2.099	10	10	FECE	
Cc1ccc(CN(C)[C@@H](C)CS(C)(=O)=O)c(O)c1Br	2352948920	WIOYZQCEIZEQMJ-JTQLQIEISA-N	350.278	2.328	10	10	FECE	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Oc1ccc(-n2cnnn2)cc1	20008463	CBIKKYVIIYUZON-UHFFFAOYSA-N	360.333	2.445	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN1c1nccs1	110658912	LKGYKHHMIWHCJD-KRWDZBQOSA-N	372.494	2.265	10	10	FECE	
CN[C@H](CO)c1c(O)c(OC)cc(Br)c1Br	309412604	YXQXWWALINBCJM-ZCFIWIBFSA-N	355.026	2.179	10	10	FECE	
Cc1cc2c(N3CCN(C(=O)c4cccc(O)c4O)CC3)ncnc2s1	187113578	SWSIFLWBUWYTNF-UHFFFAOYSA-N	370.434	2.373	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(c2cc3c(cc2N)OCC(=O)N3)C2(CC2)C1	2163088183	WBHBCCRVGRHOLW-UHFFFAOYSA-N	374.441	2.189	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CN1C(=O)c2ccc(C)cc2C1=O	808096114	BSBJHRDQBODAFJ-UHFFFAOYSA-N	373.405	2.099	10	10	FECE	
CO[C@@H](Cc1ccccc1)CS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1	817356373	KCJDHBOBMGOTOV-AWEZNQCLSA-N	366.395	2.300	10	10	FECE	
O=C1OCCN1C[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1	824451250	QEHGIWKBTPPBEA-JTQLQIEISA-N	355.778	2.228	10	10	FECE	
CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)NCc1ccc(N(C)C)cc1	727297991	OYMQNRAKEVSYJM-GOSISDBHSA-N	354.454	2.218	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N(C[C@H]1CCCN1)C1CC1	588533957	YFFIWQIZKZGQSD-PRCIHIDRSA-N	355.482	2.279	10	10	FECE	
O=S1(=O)CCN(c2ccc(CNCc3ccc4nc[nH]c4c3)cc2)CC1	733330552	BGSGAUYPCJADHV-UHFFFAOYSA-N	370.478	2.088	10	10	FECE	
COc1ccc(O)c(CNC(=O)c2c(C)nn(C3CCOCC3)c2C)c1	830544250	MWTOIEBHZGDCSD-UHFFFAOYSA-N	359.426	2.496	10	10	FECE	
Cc1cc(N2CC[C@H](NC/C=C/c3ccc(N(C)C)cc3)C2=O)n(C)n1	835042503	JECADXGOIYQJRH-QWNKOJSDSA-N	353.470	2.203	10	10	FECE	
CCS(=O)(=O)N1CCC(CNC/C=C/c2ccc(N(C)C)cc2)CC1	835046982	BFRSHVPKKRYIRA-AATRIKPKSA-N	365.543	2.417	10	10	FECE	
C[C@@H]1[C@H](NC(=O)NCCc2ccc(N)cc2)CC(=O)N1Cc1ccccc1	841897141	VVLYLAMTBUFWCM-DNVCBOLYSA-N	366.465	2.300	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC(C)(C)CS(C)(=O)=O	926730395	IKBBYBHKDUXAOT-UHFFFAOYSA-N	369.531	2.355	10	10	FECE	
C[C@H](N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1cc(F)cc(F)c1O	858488623	IXVBZXYDFNUMBH-CMPLNLGQSA-N	360.368	2.038	10	10	FECE	
CO[C@H]1CC[C@H](C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1	854906907	ZRYKEXVYTPUKQW-KBPBESRZSA-N	354.397	2.233	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccnc(N2CCOCC2)n1	858825930	AJOXQFSROZONGC-UHFFFAOYSA-N	369.469	2.042	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(CC4CC4)C3)C2)cc1	852126996	KDLFBQFTTGEXID-SJORKVTESA-N	358.486	2.057	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)/C=C/CN(C)CC(F)(F)F)C2)cc1	855223552	BUUBHNBNBSCQAM-RDFMZFSFSA-N	371.403	2.440	10	10	FECE	
COC(=O)c1coc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	759018401	WPNWAESWBIUVLZ-ZDUSSCGKSA-N	358.394	2.394	10	10	FECE	
COC(=O)c1ccc(CC(=O)NCc2ccc3c(c2)CCCN3C)cn1	865054860	VRDUKFGBWSSHCA-UHFFFAOYSA-N	353.422	2.110	10	10	FECE	
CC(C)(O)C[C@H](O)CN[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	872203165	BRAYSNGWGZVTLK-ZFWWWQNUSA-N	358.429	2.368	10	10	FECE	
COc1ccnc(CNCc2ccc(N3CCN(C)CC3)c(F)c2)c1F	1118628085	GVCQLRPQSRJFNJ-UHFFFAOYSA-N	362.424	2.410	10	10	FECE	
C[C@H](NC(=O)N1CCO[C@H](C2CC2)C1)c1ccc(N2CCOCC2)cc1	776859484	DCZOHDVUWDJCBC-KXBFYZLASA-N	359.470	2.405	10	10	FECE	
COc1ccc(O)c(CNC(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)c1	789501904	MNRDNUDIJUOAKJ-UHFFFAOYSA-N	373.409	2.475	10	10	FECE	
COC(=O)c1ccc(CNC(=O)c2ccc(C)c(O)c2O)nc1C1CC1	781026887	PJFAUGDPCVCJOO-UHFFFAOYSA-N	356.378	2.395	10	10	FECE	
COC(=O)c1c(CNC[C@]2(O)CCSC2)c2cc(F)ccc2n1C	894325212	GDMWIOHCKGWQOD-QGZVFWFLSA-N	352.431	2.062	10	10	FECE	
COc1ccc(N2CCN(CCN[C@@H]3CCN(C)[C@@H]4CCC[C@@H]34)CC2)cc1	796728541	OAJCLMQDWIDBID-BHDDXSALSA-N	372.557	2.280	10	10	FECE	
CO[C@](C)(CNC(=O)COc1ccc(N)cc1)COCc1ccccc1	702816589	DFYJMWCZMGJQCJ-HXUWFJFHSA-N	358.438	2.386	10	10	FECE	
COc1ccc(CNC(=O)C(=O)Nc2cc(C)cc(OC)c2C)c(O)c1	797389167	SNNVHLGBMOMCSB-UHFFFAOYSA-N	358.394	2.281	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCc1cccc(OCC(F)(F)F)n1	1156880279	DWVUAHYLNKFPFK-UHFFFAOYSA-N	356.300	2.293	10	10	FECE	
CC(C)NS(=O)(=O)c1cccc(C(=O)NCc2c(O)cccc2F)c1	1303879290	WHUPBSHCZHZICB-UHFFFAOYSA-N	366.414	2.148	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CN(C(=O)CCOc1ccc(N)cc1)C2	2117042789	ZELMPHLWNXTMHP-GJZGRUSLSA-N	361.442	2.258	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(OCC(=O)OC)c1	1449114901	AGINKBFUQPNVPX-UHFFFAOYSA-N	364.394	2.360	10	10	FECE	
O=C(Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1cc(O)cs1	1290186295	QKGUCGNEPLXQGT-UHFFFAOYSA-N	365.436	2.177	10	10	FECE	
COc1ccc(N2CCC(NC(=O)c3ccncc3NC(C)=O)CC2)cc1	1292593025	AJQARYAUJHACKJ-UHFFFAOYSA-N	368.437	2.447	10	10	FECE	
CC1(F)CN(C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1	2136263032	ZGSQRQFPLRJFLB-LBPRGKRZSA-N	368.405	2.104	10	10	FECE	
C[C@@H](NC(=O)c1cc2n(n1)CCC[C@H]2O)c1ccc(N2CCOCC2)cc1	1626977912	FVQGYYUYLMBLBY-AUUYWEPGSA-N	370.453	2.038	10	10	FECE	
O=C(CCCc1nc(O)c2ccccc2n1)NCc1ccc(O)cc1O	1626837634	BFFWZQPCZOTYIV-UHFFFAOYSA-N	353.378	2.386	10	10	FECE	
C[C@H](NC(=O)c1nccc2c(S(N)(=O)=O)cccc12)c1ccccc1O	1648892264	SRYIAXCQRCBLEC-NSHDSACASA-N	371.418	2.079	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3ccncc3NC(C)=O)C2)cc1	1570565165	KLTQSBDDXVNSNN-OAHLLOKOSA-N	368.437	2.305	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)NCC2(CN=[N+]=[N-])CC2)C[C@H](O)C1(C)C	1879107795	WBJGDIYHICJBJT-APPDUMDISA-N	367.450	2.247	10	10	FECE	
NCc1cnn(Cc2cccc(Cl)c2O)c1I	2070411407	DNIZAOHTSYITBW-UHFFFAOYSA-N	363.586	2.354	10	10	FECE	
CCCN(CCS(C)(=O)=O)c1ccc(CNC)cc1Br	2170152398	KBUYDCZATXBUKU-UHFFFAOYSA-N	363.321	2.430	10	10	FECE	
CN(CCCNC(=O)OC(C)(C)C)CCC(=O)Nc1ccc(N)cc1	2044594089	OECFCFWBHOYGDP-UHFFFAOYSA-N	350.463	2.444	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)N1S(=O)(=O)Cc1ccc(N)cc1	2044601618	QWHBTPQZCMQHPM-GJZGRUSLSA-N	367.471	2.487	10	10	FECE	
Cc1ccc(O)c(CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2CO)c1	2052718036	VIGQHRHBFWSFTE-ZBFHGGJFSA-N	350.459	2.408	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](CF)(NC(=O)c2cccc(O)c2O)C1	2054420027	NIMBIHGDKIVOPH-KRWDZBQOSA-N	354.378	2.177	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)N1CC[C@H](N=[N+]=[N-])C1	2060610994	OBWYREISNQGKHN-YNEHKIRRSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC(N=[N+]=[N-])CC1)[C@H]1CCCO1	2060638650	ZNKYHBBCYZWDNF-CHWSQXEVSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(NC(=O)COc2ccc(N)cc2)C1	2106266453	VFIPILUWPJIOKD-DJJJIMSYSA-N	361.442	2.163	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(CNCc2ccc(O)c(O)c2)C1	2229488827	ZNDVGKHJJJGVKV-LIRRHRJNSA-N	364.442	2.213	10	10	FECE	
CSc1ncc(CNC2(CC(=O)O)CN(C(=O)OC(C)(C)C)C2)s1	2248606087	BTBVTPBRTVCFLN-UHFFFAOYSA-N	373.500	2.419	10	10	FECE	
CC(C)(C)OC(=O)NC12COC(C(=O)N3CCC[C@H](CN=[N+]=[N-])C3)(C1)C2	2266070892	UFTAFOSMGFNFOS-AXOLYNHLSA-N	365.434	2.362	10	10	FECE	
Cc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)s1	2296115815	MBFVAYNTFXKXKZ-UHFFFAOYSA-N	356.359	2.421	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N[C@@H]3CCC[C@@H]3N=[N+]=[N-])CO[C@@H]1C2	2334184252	UPPSFSUWGGUPDF-CTPFVTRSSA-N	365.434	2.406	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N[C@@H]3CCc4ncnn4C3)cc2)CC1	112749796	ZSRUDOSSMGQKRP-QGZVFWFLSA-N	368.485	2.329	10	10	FECE	
Cc1cc(C(=O)N[C@H](CC(N)=O)C2CCOCC2)c(C)n1-c1ccccc1	176904459	FJEUHUMUYCIFRS-LJQANCHMSA-N	369.465	2.495	10	10	FECE	
O=C1[C@@H](NCc2cc([N+](=O)[O-])ccc2O)CCN1Cc1ccc(F)cc1	191762632	BQYPVQJSIRZAQE-INIZCTEOSA-N	359.357	2.330	10	10	FECE	
Cc1ccccc1C(=O)Nc1cccc(N2CCN(S(C)(=O)=O)CC2)c1	41375627	NDAQPRHXSQHDMW-UHFFFAOYSA-N	373.478	2.329	10	10	FECE	
COc1cc(Br)cc(CN2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)c1O	249586144	OIZPQXOHXPYESI-AIFSMIFESA-N	354.244	2.364	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3CCO[C@@H](C4CC4)C3)C2)cc1	823726861	YJLKGKZVNYHINB-DNVCBOLYSA-N	359.470	2.342	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCC[C@](O)(C2CC2)C1	823520521	WZBZFRQDTCWWQP-OAQYLSRUSA-N	373.497	2.094	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)/C=C\c3ccc[nH]3)CC2)cc1	588547148	BLLHWUHJGXFPSK-YHYXMXQVSA-N	368.481	2.365	10	10	FECE	
CCCCn1c(N)c(N(CC)Cc2cccc3c2CCNC3)c(O)nc1=O	662277561	RDNBRCLRUFVJBF-UHFFFAOYSA-N	371.485	2.003	10	10	FECE	
NC1(CNC(=O)NCc2ccc(N3CCOCC3)cc2)CCCCCC1	841729155	CKUGEUCWLIMHNR-UHFFFAOYSA-N	360.502	2.374	10	10	FECE	
COC[C@H](CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1)C(C)C	924006826	LJQMZXZKPOKBMI-SFHVURJKSA-N	362.518	2.156	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3cnc(Cl)cn3)C2)cc1	923188861	SLXNFEYRBIMIFS-LBPRGKRZSA-N	361.833	2.217	10	10	FECE	
CN(C)Cc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cn1	856213404	KORNUQPLCWFFKH-UHFFFAOYSA-N	368.481	2.034	10	10	FECE	
CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2F)cc1	758171574	VMCODZHMSLKSKB-UHFFFAOYSA-N	359.400	2.126	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@H](C)c3ccnn3C)C2)cc1	868720779	QJCYOUNBGLRIHO-HUUCEWRRSA-N	357.458	2.315	10	10	FECE	
Cc1cc(CCN2C(=O)[C@@H]3[C@@H](O)CCCN3C2=O)c(C)n1-c1ccccc1	760969387	JEUYKAOXBVOUPQ-OALUTQOASA-N	367.449	2.424	10	10	FECE	
C[C@@H](NC(=O)N1CCN(c2cccnn2)CC1)c1ccc(N(C)C)cc1	773624254	KKNMJPOJDJWZFD-OAHLLOKOSA-N	354.458	2.135	10	10	FECE	
Cc1cc(Br)cc(CNCC(=O)NCc2ccco2)c1O	775928315	LQIRLQVMPWBTFL-UHFFFAOYSA-N	353.216	2.462	10	10	FECE	
COC(=O)c1cnc(CNCc2ccc(N3CCC(O)CC3)cc2)s1	895333748	DHZNQWHHYFOATO-UHFFFAOYSA-N	361.467	2.181	10	10	FECE	
COCCN(CC(=O)O)Cc1cc(Cl)cc(Br)c1O	708075387	MLFSIROLPVLEIX-UHFFFAOYSA-N	352.612	2.341	10	10	FECE	
CC(C)(C)OC(=O)CC[C@H]1C[C@H](C(=O)NCc2c(O)cccc2O)CO1	1304053946	WZIABZFLEWJQBT-STQMWFEESA-N	365.426	2.241	10	10	FECE	
Cc1cc(CNC(=O)NC[C@@](C)(O)CN(C)C)c(C)n1-c1ccccc1	1313134163	YXVNDJMOXNIPPC-HXUWFJFHSA-N	358.486	2.206	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1	2124137293	PHHIVFXADPAEGR-CYBMUJFWSA-N	364.442	2.141	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@H](F)C3)cc2)CC1	1345616249	CEYUQDWSTRAQGG-MSOLQXFVSA-N	361.461	2.500	10	10	FECE	
COc1ccc(NC(=O)Cc2ccc(O)c(O)c2)c(C(=O)NC2CC2)c1	1443763864	IPLVJBDCQGEGDX-UHFFFAOYSA-N	356.378	2.180	10	10	FECE	
Cn1ccnc1[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1cccc(F)c1	1463888469	MTJJYYFUUBJCQO-SFHVURJKSA-N	355.369	2.419	10	10	FECE	
COC[C@H]1CCN(c2nnc(C)n2Cc2ccc3c(c2)CCCN3C)C1	1619707127	MOGNKXJJELKDFM-KRWDZBQOSA-N	355.486	2.490	10	10	FECE	
COC[C@]1(C(=O)OC)CCCCN1Cc1cc(F)cc(C(C)=O)c1O	1473671548	GPIKCOOBUCHNND-SFHVURJKSA-N	353.390	2.278	10	10	FECE	
CN(C(=O)Cn1c2c(c3cc(F)ccc31)CCCC2)[C@@H]1CC[C@H](O)[C@H]1O	1615075851	KIJMKSLQSOTGFS-HBFSDRIKSA-N	360.429	2.002	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCN1CSCCSC1	1556158230	VLIHHKXEMMQYNO-GFCCVEGCSA-N	356.513	2.232	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cnc2ccccn12	1639587656	ACDQIHQVQURTCV-UHFFFAOYSA-N	353.378	2.245	10	10	FECE	
NC(=O)c1cccc(CN(C(=O)/C=C/c2ccc(O)c(O)c2)C2CC2)c1	1640927892	GHASYIDCKDJZDB-WEVVVXLNSA-N	352.390	2.401	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)C(=O)c1ccc(Br)s1	1595596038	OZOMRBZRSLMTIA-UHFFFAOYSA-N	356.197	2.421	10	10	FECE	
O=C(NCc1nc(C(F)(F)F)no1)NCc1cc(Cl)ccc1O	1687476437	NXNILQJFHYMZPH-UHFFFAOYSA-N	350.684	2.447	10	10	FECE	
COC(=O)[C@@H](F)CNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C	1684322952	YEORHGSICFWDAG-KRWDZBQOSA-N	361.417	2.447	10	10	FECE	
CN(C)c1ccc([C@H](NC(=O)c2ccc(O)nc2)c2nccn2C)cc1	1865973749	DNKFHYRTPFHHRO-KRWDZBQOSA-N	351.410	2.106	10	10	FECE	
CCOC(=O)C1(C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)CC1	1866169400	FEGWENZPPJDJTH-MRXNPFEDSA-N	370.453	2.035	10	10	FECE	
O=C1Nc2cc(N3CC(C(F)(F)F)C3)c(Br)cc2[C@@H]1O	2152274941	YJSBQCYMOWFOCA-JTQLQIEISA-N	351.122	2.433	10	10	FECE	
Cc1nn(Cc2ccc3c(c2)CCN3C)c(N)c1I	50286990	OMCFUFWQJCPZQH-UHFFFAOYSA-N	368.222	2.419	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNCc1cccc(F)c1O	394399890	HRWRGOKSRJPIPU-AWEZNQCLSA-N	353.438	2.172	10	10	FECE	
COc1cccc(O)c1CN[C@H]1COC[C@@H]1CNC(=O)OC(C)(C)C	2042568418	GHWAGLHKXZLEOI-JSGCOSHPSA-N	352.431	2.030	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)CC12CC2	2049782494	JNUXVOYNORZNCR-MGPQQGTHSA-N	350.459	2.432	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)Nc1ccc(N)cc1	2058676973	RLCMILQTZAOZHW-KGLIPLIRSA-N	350.419	2.025	10	10	FECE	
C[C@H](NC(=O)C1(CNC(=O)OC(C)(C)C)COC1)c1ccccc1O	2072482943	YVDPQZONJNXXPC-LBPRGKRZSA-N	350.415	2.111	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](NCc3ccc(F)cc3O)[C@H]2C1	2084167691	DKJWZWCRGHTBNW-YCPHGPKFSA-N	352.406	2.255	10	10	FECE	
CN(C(=O)CN1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccc(N)cc1	2106650454	ZNRLRJKUGCFLPF-AWEZNQCLSA-N	362.474	2.078	10	10	FECE	
CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)Nc2ccc(N)cc2)C1	2106703318	OBDMWABFLDZPOC-LSDHHAIUSA-N	364.446	2.415	10	10	FECE	
CN1CCCc2cc([C@@]3(N)COCCN(C(=O)OC(C)(C)C)C3)ccc21	2106856785	DLCAQZDAMXPBFG-FQEVSTJZSA-N	361.486	2.490	10	10	FECE	
COC(=O)c1ccc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1	2296739294	QLLYWUHDCGFFON-UHFFFAOYSA-N	366.398	2.305	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1	2308009240	GZTTYMAXMVDYST-LBPRGKRZSA-N	374.343	2.311	10	10	FECE	
CCOc1ncc(C=CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cn1	2325351483	VNKMQMWQEPCDBV-UHFFFAOYSA-N	368.437	2.246	10	10	FECE	
COC[C@]1(C(=O)N2CCC[C@H]2CN=[N+]=[N-])C=CCN1C(=O)OC(C)(C)C	2336338719	QYHANSQEWRVKPX-GUYCJALGSA-N	365.434	2.480	10	10	FECE	
O=C1[C@H](NCc2cc([N+](=O)[O-])ccc2O)CCN1Cc1ccc(F)cc1	191762649	BQYPVQJSIRZAQE-MRXNPFEDSA-N	359.357	2.330	10	10	FECE	
CC(C)N(C)S(=O)(=O)c1ccc(N(C)C(=O)/C=C/c2cnccn2)cc1	277099527	QHIOFELRJLAHSL-BJMVGYQFSA-N	374.466	2.182	10	10	FECE	
Cc1ccc(CN(C)C(=O)C(=O)NCCCSc2nccs2)o1	806279180	HJSAWUWQIAVMQQ-UHFFFAOYSA-N	353.469	2.302	10	10	FECE	
Cc1cc(CC(=O)N2CCS(=O)(=O)C[C@H]2C)c(C)n1-c1ccccc1	828417749	ICCDRIYBCNYURP-OAHLLOKOSA-N	360.479	2.282	10	10	FECE	
COc1cc(O)c(CNC[C@@H]2CS(=O)(=O)c3ccccc32)cc1OC	824514780	CIFXWGBGGBBKPV-CYBMUJFWSA-N	363.435	2.070	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)/C=C\c3ccncn3)cc2F)CC1	588438207	OJERDFGWUQNCKO-XQRVVYSFSA-N	369.444	2.087	10	10	FECE	
CC1(C)SC[C@H]1NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	838585839	QEFODRICGMVTQL-CQSZACIVSA-N	371.453	2.495	10	10	FECE	
COc1ccc(N2CC[C@H](N3C(=O)[C@@H](CCSC)NC3=S)C2)cc1	849169520	FWVKUXDOKJRPBX-DZGCQCFKSA-N	365.524	2.112	10	10	FECE	
O=C(NCc1c(O)cccc1F)NC1CCN(Cc2ccncc2)CC1	914253263	ZPAORBOBNQFSEI-UHFFFAOYSA-N	358.417	2.390	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)c1c(Cl)cnn1C	841569159	JPHTWDUQNYNXRW-GFCCVEGCSA-N	370.906	2.357	10	10	FECE	
COc1ccnc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)c1F	852005150	OYJQRMFJJSXVHS-UHFFFAOYSA-N	374.416	2.065	10	10	FECE	
COC(=O)Cc1ccnc(NCc2ccc(N3CCC(O)CC3)cc2)c1	853958210	TZNDPXFWFSUPSK-UHFFFAOYSA-N	355.438	2.370	10	10	FECE	
CO[C@H](CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)[C@@H]1CCOC1	852384977	JOSIYCBVQQVQLS-KVSKMBFKSA-N	363.502	2.343	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCc4cnc(C)n4C3)C2)cc1	855227444	YXMQERHEHRWPTG-HOTGVXAUSA-N	354.454	2.158	10	10	FECE	
CC[C@@H](NC[C@]1(CO)COCC2(CCC2)N1C)c1ccc(N(C)C)cc1	858466218	XJGIOSIMOUISTE-CTNGQTDRSA-N	361.530	2.409	10	10	FECE	
CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H](C)c1ccccc1O	867836136	HAAAHWCTHJYTGS-JOYOIKCWSA-N	369.361	2.257	10	10	FECE	
COC(=O)c1coc(/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1	864470379	HFVNYZDOKXVBSQ-BQYQJAHWSA-N	370.405	2.437	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4CCN[C@H]4C3)ccc(N)c2C1	1876610544	MDJQNLCESRVPJW-GUYCJALGSA-N	358.486	2.360	10	10	FECE	
CN1CCN(C(=O)CC2CCN(Cc3cc(F)cc(F)c3O)CC2)CC1	894005500	HZCQEEZWNIGRAK-UHFFFAOYSA-N	367.440	2.047	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)NCCc1nc(-c2ccccc2)n[nH]1	1179689323	KYEVFLJEIIUIFW-VQHVLOKHSA-N	350.378	2.255	10	10	FECE	
Cc1n[nH]c(C)c1N/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	1083905489	FHRVQWYHGLFVGY-KPKJPENVSA-N	359.773	2.259	10	10	FECE	
Cc1cc(C(=O)CSc2nnc3nc[nH]n23)c(C)n1-c1ccc(F)cn1	1166887442	XLASVHKAVPBPJA-UHFFFAOYSA-N	371.401	2.369	10	10	FECE	
Cc1cc(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)ccc1NC(=O)C1=S=CC=C1	1177806563	XDWPWEZJXZIFHT-UHFFFAOYSA-N	371.378	2.095	10	10	FECE	
CN1C(=O)[C@H](N)c2ccc(N3C[C@@H]4CN(Cc5ccccc5)C[C@H]4C3)cc21	705963142	OYENEIFUXXOWMF-XGHQBKJUSA-N	362.477	2.231	10	10	FECE	
COc1ccc(CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2CO)c(O)c1	2116266986	QOPRTBLZALDDGI-ZBFHGGJFSA-N	366.458	2.108	10	10	FECE	
C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO)c1cc(O)ccc1O	2116276205	ZNXXXSJOHZOOCA-WOSRLPQWSA-N	366.458	2.366	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCCc1ccn(-c2ccc(F)cc2)n1	1465440008	IMKCGDUPYYSVQG-UHFFFAOYSA-N	355.369	2.324	10	10	FECE	
CS(=O)(=O)C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1	1465589072	KCDAKMVYUWLAHA-OAHLLOKOSA-N	374.422	2.365	10	10	FECE	
Cc1cc(CCC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)n[nH]1	1468819990	SKEICUDPFLOAIE-UHFFFAOYSA-N	364.396	2.082	10	10	FECE	
COc1ccc([C@H]2CN(C(=O)Cc3ccc(O)c(O)c3)CCO2)cc1OC	1472379266	HDPGOSSJACCSNG-LJQANCHMSA-N	373.405	2.258	10	10	FECE	
C[C@H]1C[C@@H]1n1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1O	1543748542	JDWXJGDSZSIYCC-ZFWWWQNUSA-N	355.442	2.323	10	10	FECE	
O=C(NCc1c(O)ccc2ccccc12)c1ccnc(N2CCOCC2)n1	1558554502	KNUYCYORZPNNPP-UHFFFAOYSA-N	364.405	2.102	10	10	FECE	
Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N1Cc2cccc(O)c2C1	1558036619	WLIKDEAMRBNZFG-RQZCQDPDSA-N	365.368	2.367	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H](CO)c1ncc[nH]1	1639484974	PDBNSELKJJCSSJ-INIZCTEOSA-N	352.394	2.093	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1CC(=O)NCc1ccco1	1727507710	RUWLPMDGNRYANB-UHFFFAOYSA-N	369.425	2.092	10	10	FECE	
COC(=O)[C@](C)(Cn1cnc2ccccc21)NC(=O)c1cc(O)cs1	1645543257	BTDJOGBJKZUVAB-KRWDZBQOSA-N	359.407	2.165	10	10	FECE	
COC(=O)c1nc(CNC(=O)/C=C/c2ccc(O)c(O)c2)ccc1Cl	1641102431	YGBREAMITBHSDG-XVNBXDOJSA-N	362.769	2.262	10	10	FECE	
COc1ccc(OC)c([C@H]2CC(=O)NC(NC(=O)c3ccccc3F)=N2)c1	15679138	COCUKWYDDMMTBG-OAHLLOKOSA-N	371.368	2.190	10	10	FECE	
COC(=O)CCCN1C(=O)/C(=C2\C(=O)Nc3ccccc32)SC1=S	206857013	HJVYARQIUWHKBL-OUKQBFOZSA-N	362.432	2.163	10	10	FECE	
C[C@H](NC[C@H](O)CN1CCCCC1)c1ccc(N2CCOCC2)c(F)c1	151342064	KKTDPVNCNLFEHP-WMZOPIPTSA-N	365.493	2.160	10	10	FECE	
O=C(CCN1C(=O)CSC1=S)Nc1ccc(Cl)c(C(=O)O)c1	1865768683	OTZPTMVPJXIIHR-UHFFFAOYSA-N	358.828	2.227	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@H](Cc1nccs1)NC(=O)OC(C)(C)C	2010402708	UXAQZURGWPZJKH-JTQLQIEISA-N	354.436	2.348	10	10	FECE	
CN(C)c1ccc(CNc2c(O)nc(=O)n(Cc3ccccc3)c2N)cc1	2160481643	USHSWJPBEVYJRU-UHFFFAOYSA-N	365.437	2.258	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](NCc2ccc(O)c(O)c2O)C1	2042823819	JANQKXVFFIDCSH-QQVUYCAZSA-N	356.394	2.288	10	10	FECE	
Cc1ccc(O)c(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c1	2052720843	MICJWRIPVPOXOV-JKSUJKDBSA-N	350.459	2.408	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H](N=[N+]=[N-])CC1)C1COC1	2060637941	QDXYAIRXFREAMB-QWHCGFSZSA-N	353.423	2.218	10	10	FECE	
COC[C@]1(NC(=O)Nc2ccc(N)cc2)CCN(C(=O)OC(C)(C)C)C1	2106287823	FUNBCXAYSRYTEU-SFHVURJKSA-N	364.446	2.416	10	10	FECE	
Nc1ccc(OCC(=O)NCCc2nccn2Cc2ccccc2)cc1	2090028257	HKESLJFSYYHFBL-UHFFFAOYSA-N	350.422	2.251	10	10	FECE	
CN1CCc2cc([C@@H](CN)N3C[C@@H]4C[C@]4(NC(=O)OC(C)(C)C)C3)ccc21	2287391429	BHWFQFVUJDVPHN-CDXJDZJCSA-N	372.513	2.278	10	10	FECE	
CCOC(=O)CC[C@@H](C)NC(=O)C=Cc1ccc(N2CCOCC2)cc1	2304650612	OFHHURDAWZMEKY-MRXNPFEDSA-N	360.454	2.384	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)NN1Cc2ccccc2C1=O	2308190156	OGCZWFBHNPPCBB-UHFFFAOYSA-N	363.417	2.224	10	10	FECE	
C[C@@H](N[C@@H]1COC[C@H]1CNC(=O)OC(C)(C)C)c1ccc(O)cc1O	2308389978	JDSOEXPARVMVFR-LALPHHSUSA-N	352.431	2.288	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)C12CC(CNC(=O)OC(C)(C)C)(CO1)C2	2315989167	OGLIWIJAQNKVCF-UHFFFAOYSA-N	353.423	2.219	10	10	FECE	
Cc1cccc(N2C(=O)NC(=O)/C(=C\Nc3ccccc3C(=O)O)C2=O)c1	104973767	GKPDFJAUQJRCRX-GXDHUFHOSA-N	365.345	2.272	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)c2ccc(=O)[nH]c2)N2CCCCC2)cc1	62370884	KZHMRIWUORETGT-LJQANCHMSA-N	368.481	2.398	10	10	FECE	
COC[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)[C@@H]1CCCOC1	1262107208	GGZFQMYYGMTMBU-MJGOQNOKSA-N	365.493	2.109	10	10	FECE	
CCN1C(=O)C(=CN[C@@H](C)c2ccc(F)c(F)c2)C(=O)N(CC)C1=S	72680454	MCTLTWGFYUQPLS-JTQLQIEISA-N	367.421	2.495	10	10	FECE	
COc1cc(N(C)C[C@@H](O)CN2CCC(C)CC2)cc(OC)c1OC	131066433	BWFJKRIOEUGGBR-MRXNPFEDSA-N	352.475	2.241	10	10	FECE	
Cc1cc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)nc(N(C)C)n1	191622169	RYZZCXGHHVSSRU-UHFFFAOYSA-N	356.474	2.259	10	10	FECE	
COc1ccc(N2CCN(c3ccc(C(=O)NC(C)(C)C)nn3)CC2)cc1	242945274	HDWMJKNKUAQKMJ-UHFFFAOYSA-N	369.469	2.340	10	10	FECE	
CCc1[nH]ccc1C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	284998657	CYPATXFYZWHJFO-UHFFFAOYSA-N	356.470	2.138	10	10	FECE	
O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)NCc5cc(Br)ccc5O)[C@@H]4[C@@H]3[C@@H]12	804736587	XWRSYADXOAESFN-PHXIEWMQSA-N	374.234	2.098	10	10	FECE	
CN(C)c1c[nH]ccc1=NC(=O)NCc1cccc(Br)c1O	801922652	YRNVRRYELIXJDB-UHFFFAOYSA-N	365.231	2.359	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)[C@]2(C)CCCS2(=O)=O)cc1F	906626835	AZWHDVRSQVNXPL-KRWDZBQOSA-N	356.463	2.255	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCC[C@H](CNS(C)(=O)=O)C2)cc1	835025422	UOQUFSVORIPAHE-XQDHMALISA-N	351.516	2.027	10	10	FECE	
COC(=O)C1(O)CCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)CC1	831575194	AMTFAUUBLXKYCT-UHFFFAOYSA-N	370.449	2.163	10	10	FECE	
COCc1noc(CN2CCN(Cc3c(O)cc(C)cc3Cl)CC2)n1	840939650	OCSAVXZKZGQDBT-UHFFFAOYSA-N	366.849	2.201	10	10	FECE	
CCOC(=O)c1c(NC(=O)C[C@@]2(C(=O)O)CCOC2)sc2c1CCC2	849181292	LNQYHDIPMCLFNB-KRWDZBQOSA-N	367.423	2.233	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)Cc1cn2c(n1)CCCC2	846267314	QZRSNRQJXSOHME-UHFFFAOYSA-N	371.437	2.059	10	10	FECE	
CC(C)CN(C)CCCNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	846735317	PJHSTZXARPBRPI-INIZCTEOSA-N	362.518	2.024	10	10	FECE	
Cc1cc(O)c(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(Cl)c1	840918948	ONYDCTPDRAWEEZ-INIZCTEOSA-N	351.878	2.092	10	10	FECE	
CN(C)c1ccc(CN(C(=O)[C@@]23C[C@H]4C[C@@H](C(=O)N2)[C@H]3C4)C2CC2)cc1	844318481	OKRORFHQVOXCKH-JPCHKZQCSA-N	353.466	2.158	10	10	FECE	
CN(C(=O)NCCc1ccc(N)cc1)[C@H]1CCN(c2ccccc2)C1=O	841954956	RTQYYFUXOVACKO-SFHVURJKSA-N	352.438	2.258	10	10	FECE	
COc1ccc(N(C)CCN(C)c2nnc([C@]3(C)CCCO3)n2C)cc1	846296768	VNJHCOKOYFGTLD-IBGZPJMESA-N	359.474	2.422	10	10	FECE	
CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCc1c(O)cccc1F	928711153	FSPQSHIMEOLNRY-WBMJQRKESA-N	351.422	2.368	10	10	FECE	
CC[C@H](N[C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(C)cc1O	858489619	IMYHFNLJWKQEPF-HOCLYGCPSA-N	352.442	2.458	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@H]3CC(C)(C)OC3=O)C2)cc1	854298237	YQHSSZRGXZGIRG-BBRMVZONSA-N	361.442	2.009	10	10	FECE	
Cc1ccc(C(=O)N[C@H](C(N)=O)C(C)C)cc1-n1c(C)cc(C=O)c1C	859267358	WIBULTZFNXKJDM-SFHVURJKSA-N	355.438	2.455	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccnc(N4CCCC4)n3)C2)cc1	855233382	GPHCFDZDCXECON-HNNXBMFYSA-N	367.453	2.094	10	10	FECE	
Cc1c(S(=O)(=O)N[C@H](C)c2ccccc2O)coc1C(=O)N(C)C	867834377	HFDNZMKLHCSQBG-LLVKDONJSA-N	352.412	2.035	10	10	FECE	
COCCCNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	768272471	PUULYGIPJBEDSF-UHFFFAOYSA-N	360.502	2.054	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@@H](C1CC1)[C@H]1CCCOC1)c1ccc(N(C)C)cc1	1119756369	JVXZMUHFKBCYNT-FNHZYXHNSA-N	373.497	2.251	10	10	FECE	
COCC1(C(=O)N[C@@H](C)c2ccccc2O)CN(C(=O)OC(C)(C)C)C1	1877570978	LWDNCJHXBUTLNR-ZDUSSCGKSA-N	364.442	2.453	10	10	FECE	
CC(C)c1ncc(CN(C)c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)cn1	799325695	UEGCUQPAMFUMBU-UHFFFAOYSA-N	357.370	2.476	10	10	FECE	
CO[C@@H]1CC[C@@H]1N(C)c1nnc(-c2sccc2O)n1C[C@@H]1CCOC1	1345434870	WGKZVQKAUUWZLL-SGMGOOAPSA-N	364.471	2.362	10	10	FECE	
COC[C@@H](F)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccccc1O	1504607193	GXSJRKQYYFWMJY-GOEBONIOSA-N	364.421	2.456	10	10	FECE	
CCN1CCC[C@H]1CNC(=O)c1c(O)c(O)cc(Br)c1OC	5851767	RJMFJSBUCRXRGR-VIFPVBQESA-N	373.247	2.083	10	10	FECE	
C[C@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1O	1454817681	KVHCMHGINVIFRN-NSHDSACASA-N	368.842	2.201	10	10	FECE	
O=C(Cn1cnc(-c2ccccc2)cc1=O)NCc1c(O)cccc1F	1456031727	ZRIHYMKKXMOPBV-UHFFFAOYSA-N	353.353	2.071	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1CCCN(C(C)C)C1	1451918688	PSPLSBSDWVQIKY-KRWDZBQOSA-N	362.470	2.404	10	10	FECE	
CCOC(=O)[C@@H](CC(=O)NCc1ccc(N(CC)CC)c(F)c1)C(C)=O	1293224902	IPKHDEMBISKKGU-HNNXBMFYSA-N	366.433	2.447	10	10	FECE	
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(O)c1O	1471644738	XQGDVIMVTBBSHD-LBPRGKRZSA-N	370.471	2.360	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[C@H]1CCCS1(=O)=O	1540488453	RSKVLPOKVFVAHJ-QGZVFWFLSA-N	350.484	2.213	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1	1556568631	ZRXBBHYSEFPAQM-PWSUYJOCSA-N	358.320	2.482	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)N1CCC(CN=[N+]=[N-])CC1	2124504470	ZGMZZVHCCANWHK-KRWDZBQOSA-N	367.450	2.297	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c(C)nnc1N(C)Cc1cnn(C)c1	1761697654	LDMWVEIHGSYANS-UHFFFAOYSA-N	353.474	2.379	10	10	FECE	
CC(C)[C@H]1CN(C)CCN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1	153715014	OVBIUSPSURUWQC-AQDCRGGLSA-N	357.498	2.335	10	10	FECE	
COc1ccc(N2CCN(C(=O)Nc3cnc(N(C)C)nc3)CC2)cc1F	155046924	ABAQQYGTTWHCDE-UHFFFAOYSA-N	374.420	2.044	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(O)c(O)c(O)c2)C2(CC2)C1	2132404442	RWYYNBIUXFITGO-UHFFFAOYSA-N	364.398	2.029	10	10	FECE	
O=C(O)[C@@H]1CSCCN1Cc1cc(Br)cc(F)c1O	2136338110	JEBAZNODDCTUOI-JTQLQIEISA-N	350.209	2.296	10	10	FECE	
C[C@@H](CNC(=O)OC(C)(C)C)N(C)CC(=O)N(C)c1ccc(N)cc1	2044612505	XRDSTLPWFLUUIX-ZDUSSCGKSA-N	350.463	2.077	10	10	FECE	
CO[C@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@H]1NC(=O)OC(C)(C)C	2058769449	WLXDHRAHAPXVFV-KGLIPLIRSA-N	350.419	2.025	10	10	FECE	
CO[C@H](C(=O)N1CC[C@H](CN=[N+]=[N-])C1)C1CN(C(=O)OC(C)(C)C)C1	2060634451	ZSSKCFZKQYMGMD-YPMHNXCESA-N	353.423	2.027	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)CCOc2ccc(N)cc2)C1	2106235815	SRUSDLOWDMDTFL-CTYIDZIISA-N	363.458	2.457	10	10	FECE	
CN1CCc2cc([C@H](N)[C@@]3(O)CCC[C@H]3NC(=O)OC(C)(C)C)ccc21	2106849550	XKTDVUGQHSDNSL-FUHIMQAGSA-N	361.486	2.487	10	10	FECE	
Cc1ccc(CNCCOCCOCCNC(=O)OC(C)(C)C)c(O)c1	2225554974	GQGABUKTCDRRBW-UHFFFAOYSA-N	368.474	2.348	10	10	FECE	
CSc1ncc(CNC(=O)[C@H](N)[C@H](C)OCc2ccccc2)s1	2243772629	CYFYXCATOZHTNB-SMDDNHRTSA-N	351.497	2.414	10	10	FECE	
CC(C)CN1C(=O)C(=CNCc2ccccc2Cl)C(=O)NC1=S	2295113211	MWRZSJXZAWUVGI-UHFFFAOYSA-N	351.859	2.213	10	10	FECE	
CC(=O)Oc1ccc(N2C(=O)CC(=Cc3ccc(O)c(O)c3)C2=O)cc1	2296606471	CJZUZQMKUWLWCR-UHFFFAOYSA-N	353.330	2.370	10	10	FECE	
CN1C(=O)C(=C2SC(=S)NC2=O)c2cc(Br)ccc21	2297296148	OTHVAOWPNZSTPT-UHFFFAOYSA-N	355.238	2.285	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCC(N=[N+]=[N-])CC3)CO[C@@H]1C2	2334200289	MWKBBEVDGGZFCI-XNJGSVPQSA-N	365.434	2.360	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NCCOC	174424241	MBKRFLJANUNYMR-NSHDSACASA-N	359.264	2.128	10	10	FECE	
CN1C(=O)C(C)(C)c2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc21	21108939	CAORFLRNGGGJEL-UHFFFAOYSA-N	374.418	2.470	10	10	FECE	
C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cn[nH]c1	270374475	ZRMITNSLLFCTFQ-LBPRGKRZSA-N	361.421	2.070	10	10	FECE	
CC[C@@H](C(=O)NCc1cc(Br)ccc1O)N1CCCC1=O	804738399	ONEYKNPTQRRTJM-LBPRGKRZSA-N	355.232	2.172	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1	849415942	IMGWWOZBKFQTPR-CQSZACIVSA-N	350.415	2.392	10	10	FECE	
O=C(NCc1c(O)cccc1F)Nc1ccccc1C(=O)N1CCOCC1	929498122	BUMHESBSQDOUQU-UHFFFAOYSA-N	373.384	2.325	10	10	FECE	
C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@@](C)(C(F)F)O1	852780534	OALZXFYWLFBZOP-ACJLOTCBSA-N	355.429	2.113	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)C[C@H]3CCC3(F)F)C2)cc1	867498337	XXKHZTSCJZZLKG-OLZOCXBDSA-N	360.426	2.239	10	10	FECE	
CN1CCC2(CC1)CN(Cc1c(O)cccc1Br)CCO2	862399992	JTDCVGCXMPHDGZ-UHFFFAOYSA-N	355.276	2.451	10	10	FECE	
O=S(=O)(C[C@@H]1CCCCO1)NCc1cc(Br)ccc1O	796192250	VQDACIJLOQNKEJ-LBPRGKRZSA-N	364.261	2.143	10	10	FECE	
CCCOc1ccnc(CC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)n1	1146952021	XECDQPZEJRLEJZ-OAHLLOKOSA-N	370.453	2.212	10	10	FECE	
C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1CNC(=O)OC(C)(C)C	1157961853	QAGIDCOASHUWAC-TZMCWYRMSA-N	364.442	2.260	10	10	FECE	
Cc1noc([C@@H]2OCC[C@@H]2NC(=O)c2cc3cc(O)c(O)cc3s2)n1	1150520858	MDAGOGCCXPHLIM-LKFCYVNXSA-N	361.379	2.264	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	1328393476	GMJHAMFOVKQFGR-VNQPRFMTSA-N	365.424	2.227	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)N(CC)[C@@H]2CCCOC2)cc1	1328902303	YTWQFXCAJYRUQB-GOSISDBHSA-N	361.486	2.177	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](Nc2ncccn2)C1	1332086539	AJYTUGARYHIMJJ-INIZCTEOSA-N	354.458	2.247	10	10	FECE	
CN(C(=O)/C=C\c1ccc(O)c(O)c1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12	1350992820	RVGCYSVGLLSRND-YWJGEGNSSA-N	374.437	2.435	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@H](C(C)C)C3CC3)CC2)cc1	1350726800	QGHZZSCRHPXJGY-LJQANCHMSA-N	373.497	2.331	10	10	FECE	
CSc1ncc(CN=c2ccc(I)n[nH]2)s1	2243773976	UXCBBRZFDGCZIZ-UHFFFAOYSA-N	364.237	2.294	10	10	FECE	
Cc1cc(CC(=O)NC2=NCC(=O)N2C)c(C)n1-c1ccc(Cl)cc1	1454210859	RQIOGNNYRJSDLA-UHFFFAOYSA-N	358.829	2.234	10	10	FECE	
C[C@@H](c1ccc(O)cc1O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O	2136357130	HRSXDUIPDLMGLJ-SMDDNHRTSA-N	366.414	2.165	10	10	FECE	
C[C@](O)(CSc1cccc(F)c1)C(=O)NCc1c(O)cccc1O	1647289971	MICUAYDVDIWKTN-KRWDZBQOSA-N	351.399	2.396	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@H](c2nncn2C2CC2)C1	1772911342	SACOIFLBZJWUNU-VCDPDADVSA-N	354.410	2.444	10	10	FECE	
O=C(NCc1ccnc(-n2cncn2)c1)NCc1cccc(Cl)c1O	1687309128	ZYBRGWVVVQXYTN-UHFFFAOYSA-N	358.789	2.021	10	10	FECE	
COc1c(I)nc[nH]c1=NCc1cccc(C)c1O	2139751453	SMIGLWJQKDHCBP-UHFFFAOYSA-N	371.178	2.138	10	10	FECE	
Cc1cccc(CNC(=O)C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1O	2139758466	RNFYALJEGZPMLS-IBGZPJMESA-N	364.442	2.079	10	10	FECE	
CN[C@@H]1C(=O)Nc2cc(N(C)[C@@H]3CCO[C@H]3C)c(Br)cc21	159704504	RKFQRHLHNADPJE-PELMWDNLSA-N	354.248	2.275	10	10	FECE	
CC(C)(C)OC(=O)N[C@](C)(C(=O)NCCc1ccc(O)c(O)c1)C1CC1	1962850762	JIOFXYFFEYFDEC-IBGZPJMESA-N	364.442	2.450	10	10	FECE	
Nc1ccc(CC(=O)N[C@H]2CN(Cc3ccccc3)[C@]3(CCOC3)C2)cc1	2154517014	KCEDIZZSJBUBMX-IFMALSPDSA-N	365.477	2.361	10	10	FECE	
C[C@H](N[C@H]1COC[C@H]1CNC(=O)OC(C)(C)C)c1cc(O)ccc1O	2036598044	CHASDIXYYHTPGI-ZOWXZIJZSA-N	352.431	2.288	10	10	FECE	
COc1ccc(N2C[C@@H](N)[C@@H](C(F)F)C2)c(OC)c1Br	2162637883	XZMIVLFGQLZZLV-JGVFFNPUSA-N	351.191	2.495	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNCc1ccc2c(c1)CCO2	394400113	HJWIZIOLKBSYAH-QGZVFWFLSA-N	361.486	2.262	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1	1334802622	RGCGRSDLULBLIC-IBGZPJMESA-N	364.442	2.113	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)C2	2049784130	GTPYUESNHBCDMK-LXFSFDBISA-N	350.459	2.288	10	10	FECE	
Cc1cccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c1O	2052720336	JWRBZPMKUZYODX-CVEARBPZSA-N	350.459	2.408	10	10	FECE	
CN(CC(=O)c1ccc(O)c(O)c1)C[C@]1(Br)CC1(F)F	2202538584	CGUTYDMOQDWYOL-GFCCVEGCSA-N	350.159	2.385	10	10	FECE	
C[C@H](NCCn1cnc(I)c1)c1c(O)cccc1O	2228832444	NOYBJTBUFDDJQC-VIFPVBQESA-N	373.194	2.250	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@H](N=[N+]=[N-])C2)C[C@H]2OCCC[C@@H]21	2272773470	KZBWWSNNNRQPJW-APNQJHFZSA-N	365.434	2.360	10	10	FECE	
CCOc1ccc(C=C2SC(N3CCN(C(C)=O)CC3)=NC2=O)cc1	2296760019	VZVGGJNTLSSCID-UHFFFAOYSA-N	359.451	2.220	10	10	FECE	
COC[C@@H](C)n1ccc(=NC(=O)C=Cc2ccc(N3CCOCC3)cc2)[nH]1	2310247253	UOUMHXJTCCFQKA-MRXNPFEDSA-N	370.453	2.001	10	10	FECE	
c1cc(N2CCOCC2)ccc1CN1CCN(CC2CCOCC2)CC1	179625755	CBQHTPZVQZMKBC-UHFFFAOYSA-N	359.514	2.067	10	10	FECE	
CCn1c(C)nnc1CN(CC(=O)OC)Cc1cc(Cl)ccc1O	171938170	XTGZTWQEGIATHL-UHFFFAOYSA-N	352.822	2.141	10	10	FECE	
COc1ccnc(NC2CCN(Cc3cc([N+](=O)[O-])ccc3O)CC2)n1	191687860	FNAZUNAEHUHNPF-UHFFFAOYSA-N	359.386	2.176	10	10	FECE	
COc1ccc(N2CCN(c3ccc(NC(=O)C4CC4)nn3)CC2)cc1	243082465	IROHADZTBWPTCS-UHFFFAOYSA-N	353.426	2.160	10	10	FECE	
Cc1nc(C2(NC(=O)/C=C\c3ccc(N4CCOCC4)cc3)CCC2)no1	255387069	CSZBENUHGPPMJB-YVMONPNESA-N	368.437	2.423	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN[C@@H]2CCN(C)[C@H]2c2ccccc2)cc1	289360125	IPIKTBXTGBIGTB-IRLDBZIGSA-N	366.509	2.404	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCN(S(C)(=O)=O)C1	801508334	OHZAEXDQUZOSJB-GOSISDBHSA-N	365.543	2.390	10	10	FECE	
Nc1ccc(CCN2CCO[C@@]3(CCCN(C(=O)C(F)(F)F)C3)C2)cc1	2163045405	PCXVSFMJHCCMOT-KRWDZBQOSA-N	371.403	2.067	10	10	FECE	
COc1ccc(N2CC[C@H](CNc3ncc([N+](=O)[O-])cc3C(N)=O)C2)cc1	819936753	WRBUWBNUDFHOIB-GFCCVEGCSA-N	371.397	2.036	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC[C@H](O)CN(C)C(=O)OC(C)(C)C	819076460	CQHUWLIQZHJCRZ-KRWDZBQOSA-N	351.491	2.378	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N(C)[C@H]3CCN(C4CC4)C3)C2)cc1	824692504	DTCYEVBIXTZSRG-APWZRJJASA-N	372.513	2.400	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCC[C@H]4C[C@@H]43)cc2)C1	822936431	AWGGSFHIOKDUJM-ISARSNTHSA-N	355.482	2.441	10	10	FECE	
CC(=O)N1CCN(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)C(C)(C)C1	588383336	XIDFJHZNRSKDSA-TWGQIWQCSA-N	371.481	2.006	10	10	FECE	
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	906418817	AYCYZVHKOWDIEY-FHLIZLRMSA-N	360.454	2.290	10	10	FECE	
COc1ccc([C@@H]2[C@H](C(=O)NCc3ccccc3O)CC(=O)N2C)cc1	734864014	ZUCUVTUIUMNWRR-VQIMIIECSA-N	354.406	2.237	10	10	FECE	
CCOC(=O)c1ccccc1N(C)C(=O)/C=C/c1cncc(C(=O)NC)c1	731990110	GPNKDEVWSFUAHO-MDZDMXLPSA-N	367.405	2.294	10	10	FECE	
Cc1cc(N2CCN(Cc3ccc(N(C)C)cc3C)CC2)n2ncnc2n1	840910796	SAXZVAHTUWMADO-UHFFFAOYSA-N	365.485	2.129	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCO[C@](C)(C(F)F)C1	852784169	FECUNQDZZKZHDW-SFHVURJKSA-N	355.429	2.067	10	10	FECE	
COC[C@](C)(CCO)NC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1	1118911739	IZNSEIZUIAKVCD-NRFANRHFSA-N	372.465	2.353	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)Cc2ccc(C(N)=O)nc2)cc1F	1118877522	HPPAWDXYMGDMRA-UHFFFAOYSA-N	358.417	2.025	10	10	FECE	
O=C(Nc1nc(C2=S=CC=C2)n[nH]1)c1ccnn1CCc1ccccc1	1457531263	DFESBSKYVKQWMQ-UHFFFAOYSA-N	364.434	2.122	10	10	FECE	
Cc1cc(CC(=O)N[C@@H](CO)c2cncn2C)c(C)n1-c1ccccc1	898896684	QUMOQYMHWKSURB-SFHVURJKSA-N	352.438	2.220	10	10	FECE	
O=C(Cn1nnnc1-c1ccccc1)NCc1ccc(N2CCCC2)cc1	1136190304	AAHQVEFCWFSSNE-UHFFFAOYSA-N	362.437	2.257	10	10	FECE	
CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1	799541634	YLJBTWBNXSHBCZ-UHFFFAOYSA-N	366.351	2.278	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@H]2CCC(=O)N2)n1CC(F)(F)F	1314753425	PFJQJBMWLJYYFO-LLVKDONJSA-N	369.347	2.134	10	10	FECE	
C[C@H](C(=O)N1CC[C@H](CN=[N+]=[N-])C1)N1CCN(C(=O)OC(C)(C)C)CC1	2124513667	QWMVBVAQBIBTKH-ZIAGYGMSSA-N	366.466	2.086	10	10	FECE	
O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)c1cccc(O)c1O	1290421947	QVCGHAWRIYDJNG-GFCCVEGCSA-N	356.378	2.259	10	10	FECE	
Nc1ccc(OC[C@@H](O)CN(Cc2ccccc2)C2(CO)CCC2)cc1	1915739703	MQOXWMMCBWASMW-IBGZPJMESA-N	356.466	2.426	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1Cc2cccnc2C1	1521014059	BGXJZQXFTJSEPJ-IBGZPJMESA-N	365.477	2.322	10	10	FECE	
CO[C@H](C)Cn1c(C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1	1618933878	OBCAHHCQZUKTHF-OAHLLOKOSA-N	359.474	2.094	10	10	FECE	
COC(=O)c1ccc2c(c1)OCCN(C(=O)/C=C\c1ccc(O)c(O)c1)C2	1472316283	YJADVCGADFTBFO-CLTKARDFSA-N	369.373	2.319	10	10	FECE	
CCOC(=O)c1cc(C(=O)NCc2c(O)cccc2O)cc([N+](=O)[O-])c1	1472063758	PWVOFOSDNJDWJQ-UHFFFAOYSA-N	360.322	2.113	10	10	FECE	
CS(=O)(=O)Nc1cccc(CC(=O)NCc2cccc(Cl)c2O)c1	1558757195	UCKJTMAQNAYKCC-UHFFFAOYSA-N	368.842	2.276	10	10	FECE	
Cc1ccc(C(=O)Nc2nnc3ccc(Br)cn23)c(O)c1O	1627844842	PWWRCBWRWXRVFU-UHFFFAOYSA-N	363.171	2.464	10	10	FECE	
COc1ccc(CNC[C@H](C)N(C)C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cc1C	1482333133	NDBXMQPYSVDHBQ-ZYSHUDEJSA-N	370.497	2.477	10	10	FECE	
O=C(CCN1C(=O)CCc2cc(F)ccc21)NCc1ccc(O)c(O)c1	1631435049	XSKONECEKOQUEG-UHFFFAOYSA-N	358.369	2.223	10	10	FECE	
COc1ccc(N2CCN(C(=O)CNC(=O)c3sccc3C)CC2)cc1	1862244031	YBMZOZYDDZJDFU-UHFFFAOYSA-N	373.478	2.144	10	10	FECE	
COc1cccc(CNC[C@@H]2CN(C)CCN2C(=O)OC(C)(C)C)c1O	1967742421	GVRHKUSKACKQLY-OAHLLOKOSA-N	365.474	2.042	10	10	FECE	
CN(C)c1ccc([C@](C)(C(=O)O)N(CCO)C(=O)OC(C)(C)C)cc1	2028428898	WFSBFCZKOJFNQE-GOSISDBHSA-N	352.431	2.282	10	10	FECE	
COC1(CN[C@H](C)c2c(O)cccc2O)CN(C(=O)OC(C)(C)C)C1	2040144731	DEZNPAWOMKAZMP-GFCCVEGCSA-N	352.431	2.384	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)CN(CCO)C(=O)OC(C)(C)C	2060127781	MKTYRSLCASSFKJ-ZDUSSCGKSA-N	352.431	2.141	10	10	FECE	
CC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	2060401777	NDHHKEYDILWQBZ-GOSISDBHSA-N	352.431	2.450	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CCO[C@@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060615709	RLHOJHVCCUGDRP-AGIUHOORSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)CCO1	2106282210	IXRPSSNHCSRRJO-CABCVRRESA-N	364.446	2.463	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NCc2ccc(F)c(F)c2O)C1	2063342879	YVXASYYINJHDRS-CHWSQXEVSA-N	358.385	2.130	10	10	FECE	
Cc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c(O)c1	2084072353	SQYWEOJGACJBDN-HOTGVXAUSA-N	350.459	2.408	10	10	FECE	
C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1ccc(O)c(O)c1	2118182763	YSOICQXHSIICTK-ZDMBXUJBSA-N	360.332	2.015	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H](O)CN1C(=O)OC(C)(C)C	2264614724	UQIHSYHZDITBET-GJZGRUSLSA-N	364.442	2.111	10	10	FECE	
COc1ccc(OC)c(C=C2SC(=S)N(N3CCOCC3)C2=O)c1	2296882911	CSTCFICNXPPMQI-UHFFFAOYSA-N	366.464	2.152	10	10	FECE	
C[C@H](O)[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S	2323823669	DEFXSMHZBJNPTD-WRWORJQWSA-N	357.840	2.375	10	10	FECE	
CN[C@H](c1ccccc1O)[C@]1(O)C[C@@H](OC)CN(C(=O)OC(C)(C)C)C1	2344425848	YUSFZEUBEPQLKL-NRXGSXMXSA-N	366.458	2.040	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@](N)(c2ccc3c(c2)CCN3C)C1	2344480834	DSBVLUHPJILECB-OXQOHEQNSA-N	361.486	2.489	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CC[C@H](N3CCOCC3)C2)cc1	173787251	VWTDPLCTXQTDBY-IBGZPJMESA-N	360.502	2.149	10	10	FECE	
CN(CC(=O)NCc1cnn(-c2ccccc2)c1)Cc1ccccc1O	111236440	FQDMELMZKLFTOY-UHFFFAOYSA-N	350.422	2.326	10	10	FECE	
CC(C)N1C[C@@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1=O	117975117	GBVAUKUDFPMSOF-IRXDYDNUSA-N	360.454	2.157	10	10	FECE	
O=C(Cn1cnnn1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12	121770847	BDBCJQFHSFDZCZ-HXUWFJFHSA-N	359.389	2.438	10	10	FECE	
C[C@H](NC(=O)c1ccccc1)C(=O)N1CCOc2cc(N(C)C)ccc21	437018199	LRXIWIFRCJGPGW-AWEZNQCLSA-N	353.422	2.297	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CCNC(=O)C[C@@H]2c2ccccc2)c1O	278265445	QZEZRQYBQSTBBI-MRXNPFEDSA-N	371.393	2.372	10	10	FECE	
CCc1nc(CNC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cs1	805193217	VLHPNYVJLDFFBU-UHFFFAOYSA-N	360.483	2.046	10	10	FECE	
COC[C@@H](C(N)=O)N(C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1	815134447	XXUSIGXIDASNJE-KRWDZBQOSA-N	369.425	2.473	10	10	FECE	
Cc1nc([C@](C)(NCC(=O)N(C)Cc2ccc(N(C)C)cc2)C2CC2)no1	814671037	OMSQSKPFFJHNSW-HXUWFJFHSA-N	371.485	2.317	10	10	FECE	
COC(=O)N(C)CCN(C)Cc1cc(Br)cc(OC)c1O	827335758	YDEOQWAHJALUDF-UHFFFAOYSA-N	361.236	2.293	10	10	FECE	
Cc1cc(O)c(CN2CCN(c3nccn(C)c3=O)CC2)cc1C(C)C	744440106	HMQNDXODVMRNBT-UHFFFAOYSA-N	356.470	2.240	10	10	FECE	
CCOC(=O)c1cnc(NC(=O)NCc2ccc(N3CC=CC3)cc2)n1C	841710632	FYUVLOQCTJCTPW-UHFFFAOYSA-N	369.425	2.295	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@](O)(C(F)F)C1	840484034	MGGMDWDUTHVQSD-FZKQIMNGSA-N	355.429	2.404	10	10	FECE	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)CC(N)=O)c2C)c1	840495619	MIUWCPDKNBOMKI-UHFFFAOYSA-N	360.435	2.417	10	10	FECE	
CN1C2(CCC2)COC[C@]1(CO)CNCc1ccc(N2CCCCC2)cc1	858222531	RGKKZRGZGSCLMN-JOCHJYFZSA-N	373.541	2.382	10	10	FECE	
O=C1OCCN1c1ccccc1NS(=O)(=O)c1cc(F)cc(F)c1O	753015145	LDNMXUNJKZIWJJ-UHFFFAOYSA-N	370.333	2.428	10	10	FECE	
Cn1[nH]c(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)nc1=O	758367655	JNXBROSEUFYYEZ-AWEZNQCLSA-N	371.466	2.443	10	10	FECE	
CCNC(=O)C1CN(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)C1	859890473	NVFZYBXYGGGCAW-UHFFFAOYSA-N	353.422	2.115	10	10	FECE	
CO[C@H]1C[C@@H](CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1	859010281	GBJFENSSQWLAQQ-IZAXUBKRSA-N	361.486	2.120	10	10	FECE	
Cc1cc(CNC(=O)CN2C(=O)NC(C)(C)C2=O)c(C)n1-c1ccccc1	863167850	NKMBCLUEICEGRX-UHFFFAOYSA-N	368.437	2.041	10	10	FECE	
O=C(c1cccc(O)c1O)N1CCN(Cc2ccc(O)c(Cl)c2)CC1	870161906	BTEGFYGVMUVWOU-UHFFFAOYSA-N	362.813	2.415	10	10	FECE	
Cn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccco2)Cc2ccccc2O)n1	772918115	QSDSLCVATFLETC-UHFFFAOYSA-N	356.338	2.470	10	10	FECE	
Cc1ccc(N2C[C@@H](C(=O)NCc3cccc(O)c3O)CC2=O)cc1F	1123978117	QGLSAMLQWBOSLE-ZDUSSCGKSA-N	358.369	2.215	10	10	FECE	
COC(=O)[C@]1(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C[C@@H](O)C1	1123874971	SFXMUWXTSSAMJP-MOBUCQHHSA-N	356.422	2.199	10	10	FECE	
COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)c1cc2cc(O)c(O)cc2s1	898807565	BIKWTTOTSZUEOQ-WDEREUQCSA-N	365.407	2.105	10	10	FECE	
CS(=O)(=O)Nc1cc(C(=O)NCc2c(O)cccc2F)ccc1Cl	1178412809	GGDBWQQTAKFBLF-UHFFFAOYSA-N	372.805	2.486	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2cc(O)ccc2O)C1	1176755270	NWAMQLPSGKWIMI-IFXJQAMLSA-N	362.426	2.361	10	10	FECE	
CC1(C)[C@H](CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1(F)F	1327961700	YREHROAIGMKKGL-HNNXBMFYSA-N	365.424	2.311	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](CNCc2ccc(O)cc2O)OCC12CC2	2129224186	ZBXZNOLJGGABRM-OAHLLOKOSA-N	364.442	2.356	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc(OCC(N)=O)cc1	1539468515	OAGQRHQNBBDSJC-UHFFFAOYSA-N	367.449	2.423	10	10	FECE	
CC(C)[C@H](O)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1471542366	AKJKUVCKHKQAME-ZWKOTPCHSA-N	350.507	2.062	10	10	FECE	
C[C@@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccn1	1543379232	ZXGMUYIAROMCRZ-WBVHZDCISA-N	366.465	2.203	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](CO)[C@H]2CCOC2)c1	1546304410	ILINUMKAJMSJHW-QFBILLFUSA-N	356.422	2.034	10	10	FECE	
CC1=C(C)C(=O)N(CCC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1=O	1638243562	HWAQWDOYENEOMW-AWEZNQCLSA-N	371.481	2.204	10	10	FECE	
O=C(CCN1C(=O)CCc2cc(F)ccc21)NCc1ccc(O)cc1O	1643103850	HXTQLSRYLCDPTA-UHFFFAOYSA-N	358.369	2.223	10	10	FECE	
C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1CCNC(=O)C1CC1	1736389326	IMJLLDMCMFYRJH-IUODEOHRSA-N	371.441	2.473	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCN(C)[C@@H](C(C)C)C3)C2)cc1	1674327224	PVDKKLDRYOLQPF-VQIMIIECSA-N	360.502	2.256	10	10	FECE	
CC(=O)NCCCN1C(=O)/C(=C\c2c(C)nc3ccccn23)SC1=S	1858593853	ABDDQIQANVZUPI-GXDHUFHOSA-N	374.491	2.370	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@]1(CNC(=O)OC(C)(C)C)CCCO1	1964874978	XWLMFSQMDKGTHH-LJQANCHMSA-N	364.442	2.425	10	10	FECE	
Nc1ccc(OCCC(=O)NC2CN(C(=O)OCc3ccccc3)C2)cc1	1999124516	IHKODRIBHYTYFD-UHFFFAOYSA-N	369.421	2.175	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1	2049781386	UQGOGXLMFRUYCV-QJWYGPSESA-N	350.459	2.191	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC(N=[N+]=[N-])CC1)[C@H]1CCOC1	2060620522	BIXSAKOZAUAYMF-WCQYABFASA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(C)C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2060634435	ZQDBOQSFLFSHOE-XHBSWPGZSA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@H](F)CN1C(=O)COc1ccc(N)cc1	2106721578	MVCYKLKXQNISRJ-GXTWGEPZSA-N	367.421	2.111	10	10	FECE	
C[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	2069845699	RUMZKZSPCUEFIX-YGRLFVJLSA-N	356.394	2.008	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)CCOc2ccc(N)cc2)C1	2106235324	MVPXNJOSEGVZFV-CQSZACIVSA-N	363.458	2.411	10	10	FECE	
CN(C(=O)CN(C)[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N)cc1	2106666502	MGENXVCUZBQSOP-INIZCTEOSA-N	362.474	2.173	10	10	FECE	
CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)Nc2ccc(N)cc2)C1	2106703316	OBDMWABFLDZPOC-GJZGRUSLSA-N	364.446	2.415	10	10	FECE	
CN1CCN(C(=O)C2=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c2ccccc21	2200998320	KCXFUSXPCHAYSW-PBHICJAKSA-N	373.453	2.054	10	10	FECE	
CSc1ncc(CNC(=O)C[C@@H](N)COCc2ccccc2)s1	2243774133	WXMFJBLVJYPUKL-CYBMUJFWSA-N	351.497	2.415	10	10	FECE	
CSc1ncc(CNC(=O)c2cc(Br)cnc2NN)s1	2284709133	CYDZDOQOVVKIBN-UHFFFAOYSA-N	374.289	2.238	10	10	FECE	
COC(=O)C=Cc1ccc(N2CCC[C@H](CCC(N)=O)C2)c([N+](=O)[O-])c1	2297444041	ICXMDVQEMLHPBZ-CQSZACIVSA-N	361.398	2.263	10	10	FECE	
CC(C)OC(=O)CCCNC(=O)C=Cc1ccc(N2CCOCC2)cc1	2309080195	ZHAMJUPFXBNKFE-UHFFFAOYSA-N	360.454	2.384	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@@]1(C(=O)C(=O)C[C@H]1C[C@H](N)C1)C2	2309419254	IDNNPANBOMPPCA-IEIFBKMASA-N	350.459	2.336	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1[C@H]2CCC[C@H]2[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1	2309664837	FUFSSPXQNNYBEV-AATNOEDMSA-N	350.459	2.191	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CCOc1ccc(N)cc1	2333046333	ACKSZZNDUPGWPN-YLQAJVPDSA-N	361.442	2.162	10	10	FECE	
CN1CCc2cc([C@H](N)[C@@]3(O)C[C@@H]4C[C@H]3N(C(=O)OC(C)(C)C)C4)ccc21	2354609584	IXFPRWIMSMEBKZ-DWGQRSAZSA-N	373.497	2.439	10	10	FECE	
Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(F)ccc3O)CC2)cc1	179876273	VSAXWGVJTZLOGV-UHFFFAOYSA-N	364.442	2.346	10	10	FECE	
Cc1nc(C)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)nc1C	184775374	FEOIGPQIWIAPNV-UHFFFAOYSA-N	358.417	2.308	10	10	FECE	
C[C@@](NCCN=[N+]=[N-])(C(=O)O)c1ccc(I)cc1	235392808	ZMZGBEZZYCILCB-NSHDSACASA-N	360.155	2.491	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3CCN(CCO)[C@@H](C)C3)c2C)cc1	188715817	MBSZHZAORXVTIT-INIZCTEOSA-N	371.481	2.241	10	10	FECE	
CCc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(N3CCOCC3)cc1)CC2	180608843	WSHZNNDNOBCRPS-NVXWUHKLSA-N	355.486	2.343	10	10	FECE	
CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)NCc1ccc(N2CC=CC2)cc1	285649698	ZQIXAUHKANFSLN-SJLPKXTDSA-N	361.486	2.020	10	10	FECE	
CC[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1nccs1	807258099	YSKQEPCXAGLMOU-INIZCTEOSA-N	370.478	2.403	10	10	FECE	
CN1CCc2cc([C@H](O)[C@H](NC(=O)OC(C)(C)C)c3cn(C)nn3)ccc21	2166706335	ACBUWNBQFCZBDV-SJORKVTESA-N	373.457	2.107	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)C2	819617105	XNHVYQGBDUJRKP-DLYKKBCUSA-N	360.410	2.094	10	10	FECE	
C[C@@]1(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C[C@]1(F)Cl	846414302	WWZGLEWMBDUIJV-ZIAGYGMSSA-N	364.826	2.198	10	10	FECE	
CCOc1ccc(O)c(CNC[C@@H]2CS(=O)(=O)c3ccccc3O2)c1	842722574	RLPJJLPZNQDCMF-OAHLLOKOSA-N	363.435	2.115	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC[C@@]2(O)CCOC2)C1	842379002	ITIXIUYYFHPMJC-OAQYLSRUSA-N	372.465	2.102	10	10	FECE	
COC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)c1cc(C)n(-c2ccccn2)c1C	924868341	PTINOQCJXYPQGU-NVXWUHKLSA-N	371.437	2.330	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC)nc3)C2)cc1	851926789	BBPZMHBDGCAHJN-HNNXBMFYSA-N	356.426	2.177	10	10	FECE	
COC(=O)[C@H]1C[C@@]1(N)c1cc(Br)cc(Br)c1O	1952774120	DKKLYEHUKOSWGQ-RDDDGLTNSA-N	365.021	2.264	10	10	FECE	
COc1cc(CNC[C@@]23COCCN2C(=O)OC3)c(O)c(C(C)(C)C)c1	865770473	MHAXMYXRYOIWHX-IBGZPJMESA-N	364.442	2.009	10	10	FECE	
C[C@H]1CCCN(c2ccc(CNC(=O)CCc3nn[nH]n3)cc2Cl)C1	868065359	NBQUQBKFZCVLFP-LBPRGKRZSA-N	362.865	2.338	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCS(=O)(=O)CC[C@@H]2C)c1	763644841	AJHUBBVICSIRBL-NSHDSACASA-N	362.289	2.472	10	10	FECE	
COc1ccc(N2CCN(S(=O)(=O)C[C@@H]3CCC3(F)F)CC2)cc1	866388108	BGUCOKFYINCUHA-ZDUSSCGKSA-N	360.426	2.192	10	10	FECE	
CO[C@@H]1CN2C(=O)N([C@H](C)Cc3ccc(N(C)C)cc3C)C(=O)[C@@]2(C)C1	865311841	KTWLIRJFUHDQHA-CFLQYTFWSA-N	359.470	2.434	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCSC3(CCC3)C2)cc1	1119713145	LOQJWRVJYXLVJG-HNNXBMFYSA-N	361.511	2.303	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)NCc1cccc(OC2CC2)c1F	1118499846	OILSEPWLSWMJRQ-UHFFFAOYSA-N	372.396	2.347	10	10	FECE	
COC(=O)[C@@H](NCc1cc(C)cc(Br)c1O)c1ccn(C)n1	787437818	DOOKIJUAGQQUFO-ZDUSSCGKSA-N	368.231	2.201	10	10	FECE	
CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2SC)cc1	792702745	YNVBTNDGUJSFGA-UHFFFAOYSA-N	352.437	2.275	10	10	FECE	
CC(C)(C)OC(=O)NCC1CCN(CC(=O)NCCCCN=[N+]=[N-])CC1	2124533590	PMJJMQFYKPHMHP-UHFFFAOYSA-N	368.482	2.430	10	10	FECE	
CCOC(=O)C[C@@H](C)CNC(=O)N(C)CCN(C)c1ccc(OC)cc1	1312428449	MNNJLTVRLKWKPT-OAHLLOKOSA-N	365.474	2.362	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNCc2cc(F)cc(F)c2O)C[C@@H]1O	2116187936	JFLYDJLEQDAKDN-VQISRLSMSA-N	372.412	2.424	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC(NC(=O)c3ccc(O)c(O)c3)C[C@H]2C1	2118190631	VVXBPZCZRVJXNT-STQMWFEESA-N	362.426	2.473	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1ccc(N(C)C)cc1	1350791218	JITSHWOQLIPPRC-ZCDTZLGTSA-N	365.424	2.480	10	10	FECE	
CCOC(=O)N1CSC[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1	1539188218	KXEFJTGUCTYLTR-HNNXBMFYSA-N	351.472	2.242	10	10	FECE	
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(O)ccc1O	1471661653	WQXMUDDGWAKRBJ-ZDUSSCGKSA-N	370.471	2.360	10	10	FECE	
C#C[C@H](C)N(C)c1nnc(CC)n1Cc1ccc(N2CCOCC2)c(F)c1	1705496380	FNJKOASPHJAROI-HNNXBMFYSA-N	371.460	2.322	10	10	FECE	
COCCn1cc(CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)cn1	1634681532	AMOUIVLKYHJOML-UHFFFAOYSA-N	371.485	2.471	10	10	FECE	
O=C(N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O)c1cccc(O)c1O	1643358958	MNBMRAWQIMNNDH-LBPRGKRZSA-N	364.760	2.426	10	10	FECE	
CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1C[C@]1(C)CN(C)C1=O	1692080119	PPADMKNAAIWLCV-FQEVSTJZSA-N	371.485	2.297	10	10	FECE	
C[C@H](O)[C@H](C(=O)O)N1C(=O)/C(=C\c2cc(Cl)ccc2O)SC1=S	1858596440	TUBVRSSLFPCFRC-VJLMVOPESA-N	373.839	2.081	10	10	FECE	
Nc1ccc(-n2nnc(C(=O)Nc3ccc(Br)cc3)n2)cc1	1857878976	QOMQKHRZEFLQPZ-UHFFFAOYSA-N	359.187	2.259	10	10	FECE	
C[C@H](N)c1ccc(N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c(Br)c1	400891486	LONJNVPWXQWIOP-MXWKQRLJSA-N	361.305	2.481	10	10	FECE	
CN(C[C@H](O)COc1ccc(N)cc1)C[C@@H]1CCN(Cc2ccccc2)C1	383262700	LYABUUYPDZSWRO-FPOVZHCZSA-N	369.509	2.462	10	10	FECE	
Cn1[nH]c(CCNC(=O)OC(C)(C)C)nc1=N[C@@H]1CCc2cccc(O)c21	2183124886	LOLNHEUDXHFFLQ-CYBMUJFWSA-N	373.457	2.109	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1	2106662448	PAQJNGCJIPLKSU-DVOMOZLQSA-N	362.474	2.441	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]12C[C@H]1CN(c1cc3c(cc1N)OCCO3)C2	2272654158	AZJYWKPJKPWGRX-HXPMCKFVSA-N	361.442	2.391	10	10	FECE	
C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCc2cc(O)c(O)cc2C1	2302402081	RUYBTYZHZSYFGM-CYBMUJFWSA-N	370.405	2.297	10	10	FECE	
CCC(CC)[C@H](CNC(=O)C=Cc1ccc(O)c(O)c1)N1CCOCC1	2307990333	LCWOWZCJFJGGSL-KRWDZBQOSA-N	362.470	2.364	10	10	FECE	
C[C@@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(O)c(O)cc2C1	2341198244	WKGRVCXFPOHGMZ-WYRIXSBYSA-N	362.426	2.286	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NCc1cccc(F)c1O	381106593	SHNGGLDTGXQQOT-ZGMNHVEMSA-N	352.406	2.302	10	10	FECE	
c1nc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)c2cn[nH]c2n1	91675826	UQCYQOXZRMDLSP-UHFFFAOYSA-N	363.469	2.497	10	10	FECE	
C[C@]1(NC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CCOC1	92451875	LJJRTPPJGXBMAQ-NRFANRHFSA-N	372.513	2.197	10	10	FECE	
C[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C[C@H]1N1CCOCC1	245813476	ZUZWZCFKMIGOEE-XHDPSFHLSA-N	355.822	2.106	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CC[C@@]4(C)[C@@H](C3)C4(F)F)nc12	298234622	HZXNJGZTRZSWOC-WBMJQRKESA-N	366.368	2.089	10	10	FECE	
CN(C)c1noc(COC(=O)c2csc(Cc3ccc(N)cc3)n2)n1	801307963	XEBPOGRDJRGNPA-UHFFFAOYSA-N	359.411	2.122	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C	808515367	OJYXCQJFJQPWDL-MJBXVCDLSA-N	353.415	2.256	10	10	FECE	
CN(C)CCNC(=O)C1CCN(Cc2cc(Cl)c(F)cc2O)CC1	295286955	IWMWNCSTVMEMEW-UHFFFAOYSA-N	357.857	2.075	10	10	FECE	
CC[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(N(CC)CC)cc2)CCO1	817705314	DFCDZTCUTYTLII-FUHWJXTLSA-N	361.486	2.223	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)COCc3cc(C)no3)C2)cc1	819590302	KGXUMUYSKJYKKI-HNNXBMFYSA-N	359.426	2.151	10	10	FECE	
CC(C)NC(=O)[C@H]1CCCN(Cc2ccc(N3CCN(C)CC3)cc2)C1	827687609	RCGZUNAFZLWULF-IBGZPJMESA-N	358.530	2.175	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC(Cn3cncn3)CC2)c([N+](=O)[O-])c1	588524521	LSTCUEHJPGINFH-HYXAFXHYSA-N	371.397	2.289	10	10	FECE	
CN(C)c1ccc(/C=C/CNCCNS(=O)(=O)Cc2ccccc2)cc1	835036384	PUHDVAVFYSFQKB-RMKNXTFCSA-N	373.522	2.475	10	10	FECE	
Cc1cc(C(=O)N2CC[C@@](O)(C(=O)O)C2)c(C)n1-c1cccc(Cl)c1	910528657	AADNFZZWUYEBQX-SFHVURJKSA-N	362.813	2.409	10	10	FECE	
COc1cccc(CNC(=O)NC2CCN(C(=O)OC(C)C)CC2)c1O	745817534	OIYUCTBRTVJFRE-UHFFFAOYSA-N	365.430	2.209	10	10	FECE	
C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H](C)N	841710372	SLJDSXWJCRAYJI-NEPJUHHUSA-N	374.407	2.077	10	10	FECE	
Nc1ccc(CCNC(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)cc1	841821522	GJJCPLZGKDIKDW-GOSISDBHSA-N	352.438	2.306	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cn(C2CCC2)nn1	843758187	NAFRYYNRZQCIBX-UHFFFAOYSA-N	355.442	2.112	10	10	FECE	
COc1cc(N2CCN(C[C@H](N)CC(C)C)CC2)cc(OC)c1OC	841022250	RARFYXJRJRISGM-OAHLLOKOSA-N	351.491	2.208	10	10	FECE	
C[C@H](N[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O)c1ccc(N(C)C)cc1	851949947	KMXWVDIIEWIYGO-YOEHRIQHSA-N	361.486	2.346	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H](N)Cc2ccc(O)c(O)c2)C1	1952889733	IPVSOIDUQXFTLG-DVOMOZLQSA-N	352.431	2.040	10	10	FECE	
CO[C@@H]1CCC[C@H]([C@@H](CO)NC(=O)NCCCSc2nccs2)C1	853854567	BUEUQIUDGMLJNP-BFHYXJOUSA-N	373.544	2.491	10	10	FECE	
C[C@H]1CCCCN1CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	851978082	HFXKZWDSPBVXGH-KRWDZBQOSA-N	374.529	2.321	10	10	FECE	
CCOC(=O)C1CCC(O)(C[C@@H](O)CN[C@@H](C)c2ccccc2O)CC1	931558622	VMNMTEOBKSKENG-ZZPBVIFJSA-N	365.470	2.278	10	10	FECE	
O=C1/C(=C\c2cn(C[C@@H]3CCOC3)nn2)SC(=S)N1c1cccnc1	865215231	LWBSZSQTSPGQLD-REPOHMLUSA-N	373.463	2.115	10	10	FECE	
C/C=C\C[C@@H]1NC(=O)N(Cc2ccc(N3CCC(O)CC3)c(F)c2)C1=O	761096711	DXRGBTDGBKGZSA-YPQKKHBXSA-N	361.417	2.173	10	10	FECE	
CCOC(=O)c1c(NC(=O)C[C@@H]2CCNC2=O)sc2c1CCCC2	887578109	IIXZEMRHBQBNPG-JTQLQIEISA-N	350.440	2.268	10	10	FECE	
COCCOc1cccc(CNC(=O)NCc2ccc(OC)cc2O)c1	792811501	KQQBSVHXDGBAFR-UHFFFAOYSA-N	360.410	2.425	10	10	FECE	
CN1C(=O)[C@@H](O)c2ccc(N3C[C@@H]4CN(Cc5ccccc5)C[C@@H]4C3)cc21	705879426	QTAUGNGJRXZKRV-FVJLSDCUSA-N	363.461	2.265	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)N3CCC[C@@H](CN=[N+]=[N-])C3)[C@H]21	2124515082	YCVUIGWBXRIQNW-REWJHTLYSA-N	365.434	2.170	10	10	FECE	
Cn1nc(CNC(=O)OC(C)(C)C)cc1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2124504745	CHHGTLJAXPRPDJ-GFCCVEGCSA-N	363.422	2.360	10	10	FECE	
C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)C(=O)N2Cc3cccc(O)c3C2)C1	1348641610	YFVGLMXOYFBHLX-PBYMTVQHSA-N	372.465	2.023	10	10	FECE	
[N-]=[N+]=NC1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1	1912144616	WEZKGLHRDHVHNE-UHFFFAOYSA-N	373.110	2.334	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1Cn1ccnn1	1447562678	MFHLHJQGVKFOJY-CYBMUJFWSA-N	352.394	2.099	10	10	FECE	
CS(=O)(=O)Nc1ccc(C(=O)NCc2cccc(Cl)c2O)cc1	1457036419	HIPKWMSEOLJEEA-UHFFFAOYSA-N	354.815	2.347	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(=O)c2ccccc2n1C	1624954836	KZDQQISVJGBNSC-GFCCVEGCSA-N	352.390	2.311	10	10	FECE	
CNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	1634434579	DVRZKDVVJHMSKE-KXBFYZLASA-N	368.481	2.470	10	10	FECE	
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1sccc1-n1c(C)ccc1C	1633371489	VZNFRDWZROCRBX-AWEZNQCLSA-N	372.450	2.393	10	10	FECE	
COc1ccc(CNC(=O)/C=C\C(=O)N(C)Cc2ccccc2O)cc1	1631155085	OXWNISIGCHKYTA-QXMHVHEDSA-N	354.406	2.232	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2c(F)ccc(O)c2O)C1	1651190564	LPAGRCRHVJVXGD-AOOOYVTPSA-N	354.378	2.270	10	10	FECE	
CCN(C)c1nnc(-c2cnccn2)n1Cc1ccc(N(C)C)c(F)c1	1764715615	JPADTHJIYPKEHU-UHFFFAOYSA-N	355.421	2.445	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1	1683986369	MOUXKURAHCLJDP-NEWSRXKRSA-N	359.470	2.232	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)N[C@H](CO)C2CCCC2)N(C)C)cc1	1687806627	IYCVNBYDVMDCKT-RTBURBONSA-N	362.518	2.206	10	10	FECE	
CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(\C)NN1CCOCC1	13623472	YDDTVWVMKYJYNP-NBVRZTHBSA-N	358.442	2.309	10	10	FECE	
O=S1(=O)C[C@H]2CC(NCc3ccc(Br)cc3O)C[C@@H]2C1	1974482720	DKGFDRKZTFMPBZ-GHMZBOCLSA-N	360.273	2.068	10	10	FECE	
C[C@H]1CN(c2ccc([C@@H](C)N)cc2Br)C[C@@H](C)S1(=O)=O	400891489	LONJNVPWXQWIOP-OUAUKWLOSA-N	361.305	2.481	10	10	FECE	
COc1cccc(CN[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@@H]3CCO[C@H]32)c1O	387936259	AXIGEQAISWHYOE-DPAVQSFQSA-N	364.442	2.171	10	10	FECE	
CCCSC[C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]1C[C@H](N)C1	1906905960	IWISEHLLMLFPQO-AVGNSLFASA-N	358.504	2.289	10	10	FECE	
CO[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@H]1NC(=O)OC(C)(C)C	2058769451	WLXDHRAHAPXVFV-ZIAGYGMSSA-N	350.419	2.025	10	10	FECE	
CCOC[C@@](O)(CNC(=O)OC(C)(C)C)[C@H](N)c1ccc(N(C)C)cc1	2106858856	BPCRDISFUIHGIJ-APWZRJJASA-N	367.490	2.045	10	10	FECE	
C[C@@H](NC[C@@H]1CN(C)CCN1C(=O)OC(C)(C)C)c1c(O)cccc1O	2098264235	WDRWTNOVSOZFJS-ZIAGYGMSSA-N	365.474	2.300	10	10	FECE	
O=C(O)[C@]1(CO)CCN(Cc2cc(Cl)cc(Br)c2O)C1	2201081988	LTHWRBPEGCICJZ-CYBMUJFWSA-N	364.623	2.077	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1cccnc1)C(=O)N1CC[C@@H](N=[N+]=[N-])C1	2229159644	FPLQKLDHQGJCIJ-ZIAGYGMSSA-N	360.418	2.429	10	10	FECE	
C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2O)CC2(CNC2)O1	2288581375	CBVZSFVPFZQFJC-SECBINFHSA-N	361.667	2.371	10	10	FECE	
CSc1ncc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cn1	2297360607	QIDIZGKVFOELGW-UHFFFAOYSA-N	368.418	2.482	10	10	FECE	
CCc1ccc(C=C2SC(=S)N([C@@H](C(=O)O)[C@@H](C)O)C2=O)cc1	2323823922	YDCVDAVVJARLBD-NOZJJQNGSA-N	351.449	2.284	10	10	FECE	
COc1ccc(N2CCN(C(=O)COc3cccc([C@H](C)O)c3)CC2)cc1	178214403	VTKZTLFRHJGKGC-INIZCTEOSA-N	370.449	2.476	10	10	FECE	
CN(CCOCCO)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2	311604515	OXHAIOZAUWDDSV-UHFFFAOYSA-N	365.474	2.007	10	10	FECE	
CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cc(F)cc(C(C)=O)c1O	372283224	RSAVAHKPCDZVPO-GJZGRUSLSA-N	353.390	2.276	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N(C)Cc1cc(C)on1	298029588	NKRIHDUCUUPOEM-UHFFFAOYSA-N	359.426	2.476	10	10	FECE	
CN(CC1(S(C)(=O)=O)CC1)c1cc(Br)c(CN)cc1F	2167824079	FGLVEQCBKJSUEV-UHFFFAOYSA-N	365.268	2.060	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCN(C3CC3)C(=O)C2)cc1F	748628791	BFYHNBGATASHQQ-UHFFFAOYSA-N	362.449	2.188	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)NC(=O)C3CCCC3)C2)cc1	855233314	XFIRTJLSERKXQS-GDBMZVCRSA-N	359.470	2.085	10	10	FECE	
CCc1nc2c(C(=O)N3CCN(c4ccc(OC)cc4)CC3)ccnc2[nH]1	929250811	WNPNTHWMIKYRPM-UHFFFAOYSA-N	365.437	2.491	10	10	FECE	
CCc1nnc(O)c(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1CC	855233887	OOUMOMFYBMUEDT-ZDUSSCGKSA-N	370.453	2.324	10	10	FECE	
COc1cc([C@]2(NC(=O)OCc3ccccc3)C[C@H]2C(=O)O)cc(O)c1O	1952888368	SDQBJRGXQFFRFN-ORAYPTAESA-N	373.361	2.333	10	10	FECE	
COc1ccc(N2CC[C@H](N3C(=O)N[C@@H](C[C@@H]4CCCOC4)C3=O)C2)cc1	863512905	SDCYLPRISMTQFP-ZVZYQTTQSA-N	373.453	2.011	10	10	FECE	
Cc1cnc(CNC(=O)C(=O)NCCCSc2nccs2)c(C)c1	930196877	BATGXLVVCZVQMB-UHFFFAOYSA-N	364.496	2.070	10	10	FECE	
CN(Cc1c(O)ccc(C(=O)c2ccccc2)c1O)[C@H]1C[C@@H](C(N)=O)C1	863322455	HLCQXSWUOKJYTK-OKILXGFUSA-N	354.406	2.025	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CCNC12CCC2	861560052	YFRKLWXRRUFRGK-QGZVFWFLSA-N	360.527	2.324	10	10	FECE	
COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCC3(C)CCC3)CC2)cc1	778312182	FXOKHRHQZBDOLC-HJWRWDBZSA-N	371.481	2.206	10	10	FECE	
O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(C(=O)O)cc1Cl	783702266	ULHKGDFOQIGJJY-WQLSENKSSA-N	352.799	2.341	10	10	FECE	
O=[N+]([O-])c1cc(CNCCC2CS(=O)(=O)C2)ccc1N1CCCCC1	786825682	YRKXCDQFUYESIH-UHFFFAOYSA-N	367.471	2.109	10	10	FECE	
CC(=O)N/C(=C/c1cccs1)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	1138153123	YPCBFJPONRJCIY-KBVGCWLLSA-N	360.435	2.384	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)c1ncc(Br)cn1	1142731300	SJZSLALPLPLVMU-UHFFFAOYSA-N	359.183	2.423	10	10	FECE	
O=C(CCNS(=O)(=O)c1cccs1)NCc1cc(Cl)ccc1O	1165497451	GMXQKYIXEHTQMS-UHFFFAOYSA-N	374.871	2.092	10	10	FECE	
Cc1ncc(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)o1	1312848285	RSUYPVVOYSFVIX-UHFFFAOYSA-N	358.442	2.191	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)[C@H](OCC)[C@H]3CCOC3)CC2)cc1	1329379433	RMJDBXFJWOHRKQ-QFBILLFUSA-N	362.470	2.176	10	10	FECE	
CC(C)(C)OC(=O)NCC[C@H]1CN(C(=O)Nc2ccc(N)cc2)CCO1	2119435228	IXWQLBWHRBZJJL-HNNXBMFYSA-N	364.446	2.416	10	10	FECE	
C[P@]1(=O)C[C@H](O)[C@@H](NCc2cc(Br)cc(F)c2O)C1	2121383112	GSAWSQMBRVMOSO-ZHYXMNDGSA-N	352.140	2.119	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)NC[C@]1(C)CC1(C)C	1331845151	XVIVZYBNIIOLEB-NRFANRHFSA-N	373.497	2.034	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)NCC3(C4CC4)CCC3)C2)cc1	1261712478	SIDGFDPSTSZTMK-INIZCTEOSA-N	371.481	2.087	10	10	FECE	
Cc1ccc(O)c(CNC(=O)/C=C\C(=O)Nc2ccc3n[nH]cc3c2)c1	1453646577	AYFLAHPLMWQTFX-SREVYHEPSA-N	350.378	2.388	10	10	FECE	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ncc2ccccn12	1527864450	PGIGWAPBBWXACH-UHFFFAOYSA-N	372.375	2.379	10	10	FECE	
Nc1nnc(C2CCN(C(=O)c3cc4cc(O)c(O)cc4s3)CC2)o1	1469740449	MFJKBCOSMKAPOH-UHFFFAOYSA-N	360.395	2.298	10	10	FECE	
CC(C)[C@H](O)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1471542364	AKJKUVCKHKQAME-QZTJIDSGSA-N	350.507	2.062	10	10	FECE	
COC(=O)CC(C)(C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1537483151	MJVXSSHMUGPDEU-QGZVFWFLSA-N	363.502	2.451	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CC1(C)C	2136261208	JRHMUMJOONQKEQ-SWLSCSKDSA-N	364.442	2.448	10	10	FECE	
Cc1cc(CCNC(=O)c2cc(=O)n(C)cn2)c(C)n1-c1ccccc1	1642091062	LMKCEWNMDCEGJM-UHFFFAOYSA-N	350.422	2.160	10	10	FECE	
O=[N+]([O-])c1c(NCc2cccc(Cl)c2O)ncnc1N1CCOCC1	1652315493	ILWXLYJTSBHSEO-UHFFFAOYSA-N	365.777	2.193	10	10	FECE	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NS(=O)(=O)c1ccsc1	159716979	GGEYQWOWOUSKJV-UHFFFAOYSA-N	361.404	2.431	10	10	FECE	
Cc1ccc(O)c(CNCCC(=O)Nc2nc3c(s2)CN(C)CC3)c1	1857875193	OJHAJNGHGOWBSC-UHFFFAOYSA-N	360.483	2.263	10	10	FECE	
CO[C@]1(C(=O)N(C)Cc2ccccc2O)CCN(C(=O)OC(C)(C)C)C1	1968857720	QYCKTVWCVIKKSP-LJQANCHMSA-N	364.442	2.377	10	10	FECE	
CNC(=O)CN(Cc1ccccc1)c1cc2c(cc1Cl)[C@@H](O)C(=O)N2	2034790291	NDNOKXMUWAXMBP-QGZVFWFLSA-N	359.813	2.078	10	10	FECE	
COc1ccc(CN[C@@H]2COC[C@H]2CNC(=O)OC(C)(C)C)c(O)c1	2036598857	JMWYUJWNDWIKIZ-UKRRQHHQSA-N	352.431	2.030	10	10	FECE	
CCCS(=O)(=O)CCN(C)c1ccc(CNC)cc1Br	2170441227	MWXMDACVSIFGCJ-UHFFFAOYSA-N	363.321	2.430	10	10	FECE	
CN(Cc1ccccc1)C[C@H](NC(=O)N(C)Cc1ccccc1O)C(=O)O	2192604887	NJAJBZPNEUCBJL-KRWDZBQOSA-N	371.437	2.119	10	10	FECE	
CN(CCOCCN(C)C(=O)OC(C)(C)C)Cc1cc(N)ccc1O	2044610628	GYXWKMZLKBNKRG-UHFFFAOYSA-N	353.463	2.290	10	10	FECE	
CN(C(=O)c1cc(O)c(O)c(O)c1)C(C)(C)CNC(=O)OC(C)(C)C	2068627707	IFFUGOUNLISZIH-UHFFFAOYSA-N	354.403	2.179	10	10	FECE	
CN[C@@H](c1ccc2c(c1)CCN2C)[C@H](O)C1CN(C(=O)OC(C)(C)C)C1	2106851908	ZGJKJFDZOMXHKP-ZWKOTPCHSA-N	361.486	2.167	10	10	FECE	
Cc1cncc(C=CC(=O)N2CCOc3ccc(S(C)(=O)=O)cc32)c1	2302398231	KBKTUAWTIFDMEK-UHFFFAOYSA-N	358.419	2.232	10	10	FECE	
COC(=O)[C@@H](O)CNC(=O)C=Cc1cc(C)n(-c2ccc(C)cc2)c1C	2305556621	XGDHJJLSTQZCHN-SFHVURJKSA-N	356.422	2.066	10	10	FECE	
CC(=O)NCCCN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S	2318683686	HZBLGBCNEYNVEN-UHFFFAOYSA-N	365.436	2.322	10	10	FECE	
Cc1ccn2c(N=Nc3ccc(S(N)(=O)=O)cc3)c(C(=O)O)nc2c1	2320768579	HRZIXIFZYRRDGP-UHFFFAOYSA-N	359.367	2.404	10	10	FECE	
CN[C@@H](c1ccccc1O)[C@@]1(O)C[C@@H](OC)CN(C(=O)OC(C)(C)C)C1	2344425846	YUSFZEUBEPQLKL-ACWOFJMJSA-N	366.458	2.040	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCCN(c3cccnn3)CC2)cc1F	119833380	VJBMBGNIAAMKMD-UHFFFAOYSA-N	372.448	2.104	10	10	FECE	
CCN1CCC[C@@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1	194158411	ABEQVSVEUXIAMS-LJQANCHMSA-N	374.529	2.179	10	10	FECE	
COc1ccc(N2CCN(c3cc(C(=O)NC(C)C)nc(C)n3)CC2)cc1	244113691	UJCFYKMEXFBTFA-UHFFFAOYSA-N	369.469	2.258	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)NCc1nccn1C(F)F	255882294	BEHGYHUMNBKNTE-UTCJRWHESA-N	362.380	2.444	10	10	FECE	
CC(C)n1[nH]ccc1=NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	255107357	GSMPAWSNDPWQTK-UHFFFAOYSA-N	371.485	2.416	10	10	FECE	
COCCS(=O)(=O)NC(=O)/C=C\c1cc(C)n(-c2ccccc2)c1C	255226049	ONCODEGBLWADNH-KTKRTIGZSA-N	362.451	2.200	10	10	FECE	
N[C@@H]1C(=O)Nc2cc(N3CCO[C@H]4CCC[C@@H]43)c(Br)cc21	252593384	FUFDHPSLUWTEJB-UBHSHLNASA-N	352.232	2.159	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1[C@H](C)C(=O)Nc1ccc(N)cc1	2162930931	GTNTVXGWILXDON-JTNHKYCSSA-N	372.391	2.127	10	10	FECE	
CC(=O)C(=O)COC(=O)Cn1c(C)c(Br)c2ccccc21	808506360	ZAPMBGYZUCNTMI-UHFFFAOYSA-N	352.184	2.414	10	10	FECE	
CCOC(=O)c1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)on1	825776405	HKHQQJOSPVTKEC-AWEZNQCLSA-N	374.393	2.378	10	10	FECE	
Cc1cc(CC(=O)N2C[C@@H](C)O[C@@H](C(=O)O)C2)c(C)n1-c1ccccc1	826535478	XUPJORZJLRUWGX-RDTXWAMCSA-N	356.422	2.337	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@H](CNC(=O)N(C)Cc1ccccc1O)C2	824762281	QTLXLCANWZAUPK-BPUTZDHNSA-N	361.442	2.401	10	10	FECE	
C[C@@H](NC(=O)[C@@]1(C)C[C@@H](O)CN1C(=O)OC(C)(C)C)c1ccccc1O	913763982	XMPSWJSIGWDTLA-VLXJIEOASA-N	364.442	2.330	10	10	FECE	
Cc1cc(O)c(CNC[C@@H](N2CCNCC2)C(F)(F)F)c(Cl)c1	841070314	NEMPBUNMJJNBJT-CQSZACIVSA-N	351.800	2.280	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCCC[C@H]1[C@H]1CCNC1	844223747	BLMLVHMEIRJTNG-ICSRJNTNSA-N	358.530	2.175	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C)CCCN3CCCC3)C2)cc1	854297889	SRGFUSKWMOCVGL-KRWDZBQOSA-N	360.502	2.401	10	10	FECE	
C[C@H](NC[C@@H](O)CS(C)(=O)=O)c1ccc(N2CCCCCC2)cc1	927033720	PZRGFOLXQNAPBA-MAUKXSAKSA-N	354.516	2.123	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)CNC(=O)c3ccsc3)CC2)cc1	1116626368	RMNRCACEVIVYJP-UHFFFAOYSA-N	373.478	2.225	10	10	FECE	
CN(C)C(=O)N(C)[C@H]1CCN(Cc2cc(Br)cc(F)c2O)C1	895332501	KOSBMXWRDYWADH-LBPRGKRZSA-N	374.254	2.482	10	10	FECE	
COc1ccc(C(=O)NCCNC(=O)c2ccc(N=NC(N)=O)cc2)cc1	1136307444	PTVOGXMLADQVTO-UHFFFAOYSA-N	369.381	2.017	10	10	FECE	
C[C@@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)CCN1Cc1ccccc1	396347866	QKKOPDTVNLRILC-MRXNPFEDSA-N	359.495	2.305	10	10	FECE	
C[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCN1C	791205784	QKFAMGNWRJXFDB-HOCLYGCPSA-N	363.477	2.133	10	10	FECE	
COC(=O)c1ccc2c(c1)CCN2C(=O)c1cccnc1-c1cnn(C)c1	1142705331	HWSMIGQNZMFHLM-UHFFFAOYSA-N	362.389	2.472	10	10	FECE	
Cc1cc(C)nc(N2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC2)n1	1152122923	SNSNVFUCWREQGT-UHFFFAOYSA-N	367.413	2.218	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1	2132413824	QPBZTINJNYZICM-JQWIXIFHSA-N	366.414	2.179	10	10	FECE	
C[C@H](NC(=O)C(=O)N1CCCC12CCC2)c1ccc(N2CCOCC2)cc1	1340391915	ILNHXTBXXAJRMQ-INIZCTEOSA-N	371.481	2.246	10	10	FECE	
O=C(NCc1cccc(O)c1O)c1c(Br)nc2n1CCCC2	1528771092	JPUHNJIMYNQNHH-UHFFFAOYSA-N	366.215	2.323	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)/C=C/C(=O)N(C)C	1465850896	MJHXFXVMUJJAGO-BQYQJAHWSA-N	355.232	2.148	10	10	FECE	
C[C@H](c1c(O)cccc1O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O	2136356945	FUMITZQZMXUWLV-NEPJUHHUSA-N	366.414	2.165	10	10	FECE	
CN1C(=O)CN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1c1ccccc1	1616805020	UKJFGAZMNZIORV-INIZCTEOSA-N	351.366	2.462	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)Cc1ccc(O)c(O)c1)C1CC1	1627203408	JWMAIEDONLCZPM-LJQANCHMSA-N	364.442	2.450	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2C[C@@H](C3CC3)C[C@H]2C2CC2)c1	1636374264	JRKBNKITSYHTAZ-BBRMVZONSA-N	364.467	2.414	10	10	FECE	
C[C@@H]1C[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1O	1726483600	HJEMNXOLLYLCKW-ZBFHGGJFSA-N	369.469	2.399	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1ccccc1N1CCC(CO)CC1	1631580698	XQLDPTGNTTYNIC-UHFFFAOYSA-N	356.422	2.488	10	10	FECE	
O=C(Cc1ccc(-n2cnnc2)cc1)NCc1ccc2cccnc2c1O	1638573378	UIWGYSAHRQCIKZ-UHFFFAOYSA-N	359.389	2.380	10	10	FECE	
COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H](C)c1ccccc1O	1642830906	LFFRAHUKQURIKY-NSHDSACASA-N	374.349	2.378	10	10	FECE	
COc1ccc(CNC[C@@H](O)c2ccccc2)cc1CN1CCOCC1	13736103	KLDSEAJYWAASAU-HXUWFJFHSA-N	356.466	2.351	10	10	FECE	
Nc1ccc(OCCN2CCC[C@@H](NC(=O)COc3ccccc3)C2)cc1	586060811	MPFFYSPVFCZKJR-GOSISDBHSA-N	369.465	2.307	10	10	FECE	
C[C@@H](NC(=O)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O	1262495768	LCGDIJPTTWWXGQ-BFUOFWGJSA-N	364.442	2.331	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)NCCc1ccc(O)c(O)c1)C1CC1	1962849868	AGEJBVANAKFHFX-OAHLLOKOSA-N	350.415	2.060	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC(CN=[N+]=[N-])CC2)C[C@H](CO)C1	1879573624	FAACNSMMVIKKJX-XFHMXUHZSA-N	367.450	2.201	10	10	FECE	
CC(C)(C)OC(=O)NCc1nc(CC(=O)N2CC(N=[N+]=[N-])C2)cs1	2010389038	KOHBISIXJGVNTF-UHFFFAOYSA-N	352.420	2.231	10	10	FECE	
C[C@H](N[C@@H]1COC[C@H]1CNC(=O)OC(C)(C)C)c1ccc(O)cc1O	2036598795	JDSOEXPARVMVFR-YWPYICTPSA-N	352.431	2.288	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C(NCc3ccc(N4CCOCC4)cc3)[C@H]2C1	312203134	FGTIIDBSQFDETN-ROUUACIJSA-N	373.497	2.478	10	10	FECE	
CN1CCc2cc(CN[C@@H]3[C@H](NC(=O)OC(C)(C)C)[C@@H]4CCO[C@H]43)ccc21	383220080	NHPMGIIHBYOXFC-JCHJZTRSSA-N	373.497	2.449	10	10	FECE	
CN1CCc2cc([C@H](CN)N3C[C@@H]4C[C@H](C3)N4C(=O)OC(C)(C)C)ccc21	2194543018	IIIVNJGBPBKNIX-SCTDSRPQSA-N	372.513	2.372	10	10	FECE	
C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060636514	YRYNWQWKJZWIQQ-JHJVBQTASA-N	353.423	2.312	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1	2060640843	ZNUFHBJACSRULO-INIZCTEOSA-N	355.439	2.297	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2OCCC[C@]2(C(=O)NCCCN=[N+]=[N-])C1	2221344271	ZNTQQYYWFNZOQY-WBMJQRKESA-N	353.423	2.219	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2OCC[C@]2(C(=O)NCCCCN=[N+]=[N-])C1	2264328754	UCDKCRIPVQLRCH-WBMJQRKESA-N	353.423	2.219	10	10	FECE	
COc1ccc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1OC	2297283860	FZPHYIHRPQRENA-UHFFFAOYSA-N	366.373	2.366	10	10	FECE	
CCOC(=O)c1ccc(N2NC(=O)C(=Cc3ccc(C=O)cc3)C2=O)cc1	2297321408	OPDXGUBLOZRTNF-UHFFFAOYSA-N	364.357	2.137	10	10	FECE	
CC1=NN2C(=N)C(=Cc3coc4ccc(O)cc4c3=O)C(=O)N=C2S1	2297499908	OLZVCDGMQSZCPG-UHFFFAOYSA-N	354.347	2.138	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N1CCS[C@@H]2COCC[C@H]21	2301507011	XLULWSAKULPAAK-RTBURBONSA-N	374.506	2.269	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@H](NCc3cccc(O)c3O)CO2)C1	2337257571	HRAWWGJGRCKXIE-AWEZNQCLSA-N	364.442	2.356	10	10	FECE	
CN(CCN1CCC(C(=O)N(C)CCN=[N+]=[N-])CC1)C(=O)OC(C)(C)C	2339573633	XPQDWJDDKJPPMM-UHFFFAOYSA-N	368.482	2.334	10	10	FECE	
CCCn1cc(CN2CCCN(Cc3cc4c(cc3O)OCO4)CC2)cn1	121682174	BZTYWIQEGGDVEN-UHFFFAOYSA-N	372.469	2.435	10	10	FECE	
Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)C[C@H]2N=[N+]=[N-])cc1	616587304	ISLMSHMWGIVDHX-UMVBOHGHSA-N	371.353	2.081	10	10	FECE	
CC(C)c1nn(C)cc1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	280434419	USEXCRGBVWDGJX-UHFFFAOYSA-N	361.421	2.004	10	10	FECE	
COc1cc(C)cc(CNC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)c1	285622660	DMYBGUGYDNBYBU-UHFFFAOYSA-N	373.428	2.141	10	10	FECE	
C[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1	803302343	MIXZAACGBQUVFR-BRWVUGGUSA-N	373.497	2.347	10	10	FECE	
CC(=O)C(=O)COC(=O)c1nn(-c2cccc(Cl)c2F)c2c1CCC2	820872086	NNTPEKQHTGQUFC-UHFFFAOYSA-N	364.760	2.468	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)NCc1ccc(N(C)C)cc1C)C2	824338695	YWCUYMYVCAOHEQ-WBAXXEDZSA-N	374.485	2.480	10	10	FECE	
C[C@H](CN(C(=O)/C=C\c1ccc(N2CCOCC2)cc1)C1CC1)C(=O)O	588592749	OJGDDQFXKOGBGO-KHSJVXASSA-N	358.438	2.248	10	10	FECE	
C[C@@H](CS(C)(=O)=O)N(C(=O)c1cc2cc(O)c(O)cc2s1)C1CC1	900708452	TXYKMZSWFJUJBC-VIFPVBQESA-N	369.464	2.350	10	10	FECE	
N[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1C(F)(F)F	903982177	MLJPDJPYLVHZBS-HIFRSBDPSA-N	361.383	2.374	10	10	FECE	
C[C@H](N)C[C@@H](C)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	831143270	MUACKLZFNQAEJP-DLBZAZTESA-N	373.545	2.144	10	10	FECE	
O=C(Cc1cn2c(n1)CCCC2)NCc1ccc(N2CCOCC2)c(F)c1	845237498	SWUFZEJYBPCLOA-UHFFFAOYSA-N	372.444	2.054	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3C[C@@H]4CCC[C@H](C3)N4)CC2)cc1	841779770	YXIQXWFMPWQDGW-CALCHBBNSA-N	358.486	2.200	10	10	FECE	
C[C@@H](CN(C)CCCN(C)C)NCc1cc(Cl)cc([N+](=O)[O-])c1O	850353591	ICODBCABHFRPOB-LBPRGKRZSA-N	358.870	2.315	10	10	FECE	
COc1ccc(N2CCN(CCCN[C@H]3CCNC34CCC4)CC2)cc1	925516497	DFNCBILNHDVZHI-FQEVSTJZSA-N	358.530	2.082	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc(N4CCCC4)nn3)C2)cc1	855228507	BIELHFGAMWAWEM-HNNXBMFYSA-N	367.453	2.094	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3nccn4cc(C)nc34)C2)cc1	855225972	PGVXLMVWUHBDEV-AWEZNQCLSA-N	351.410	2.055	10	10	FECE	
COc1ccc([C@@H]2CCN(C(=O)C(=O)Nc3ccc(N)cc3)C2)cc1F	861545315	WFAZAIPFYDWXNI-CYBMUJFWSA-N	357.385	2.371	10	10	FECE	
O=C1NC[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)c2ccccc21	860243371	LJYCCRCHWZGUPI-SFHVURJKSA-N	350.418	2.414	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)NCC(=O)N=S(C)(C)=O)c2C)c1	868954552	KSQOINZTHQWHQO-UHFFFAOYSA-N	361.467	2.387	10	10	FECE	
COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NCc2cc(OC)ccc2O)C1	776146287	YAAZOYHGVFXMEH-OLZOCXBDSA-N	365.430	2.067	10	10	FECE	
O=C(/C=C\C=C\C(=O)NCc1ccccc1O)NCc1ccccc1O	774062475	DRWKKODUBSXKQA-JTAXDKCCSA-N	352.390	2.143	10	10	FECE	
COC(=O)c1c(CN2CC[C@@H](C(=O)N(C)C)C2)c2cc(F)ccc2n1C	894991304	AGRGONFMAHMBFB-GFCCVEGCSA-N	361.417	2.014	10	10	FECE	
Cc1cccc(C(=O)NCCNC(=O)c2ccc(N=NC(N)=O)cc2)c1	1142079511	UWAPCGYFZTYWRM-UHFFFAOYSA-N	353.382	2.317	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2124504636	BAPWYNPQCHYVBJ-OLZOCXBDSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CCC[C@H]3CN=[N+]=[N-])[C@@H]2C1	2124536373	QUIFJJSGPXXWFV-XUXIUFHCSA-N	365.434	2.170	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@]1(C)CCCS1(=O)=O	1356266497	KJDHKZAJESPLRV-GOSISDBHSA-N	350.484	2.213	10	10	FECE	
Cc1ncccc1/C=C/C(=O)N1CCOc2ccc(S(C)(=O)=O)cc21	1515920745	GNLKIIKVZOQQAO-VMPITWQZSA-N	358.419	2.232	10	10	FECE	
CS(=O)(=O)c1ccc(N)c(C(=O)NCc2c(O)ccc3c2CCCC3)c1	1445902860	QXEKQYDIZHJBBP-UHFFFAOYSA-N	374.462	2.187	10	10	FECE	
CCS(=O)(=O)c1ccccc1CCNC(=O)c1ccc(C)c(O)c1O	1455568316	GYRYUBFEGAZFJU-UHFFFAOYSA-N	363.435	2.172	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)NCc2cccc(O)c2O)C1	1521851092	GNZGHAOWWZMTTP-JSGCOSHPSA-N	368.405	2.309	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)cc1	1292152171	BTZHLRJXFATMIM-INIZCTEOSA-N	359.430	2.176	10	10	FECE	
CC(C)(C)OC(=O)N1CC(O)(CNCc2ccc(N3CCCC3)cc2)C1	1918715010	VTMIAWMXLVQCOT-UHFFFAOYSA-N	361.486	2.358	10	10	FECE	
Cn1c(=O)n(C)c2cc(NC(=O)c3ccc(N=NC(N)=O)cc3)ccc21	1631297309	LVVKZCWTNCIAQM-UHFFFAOYSA-N	352.354	2.292	10	10	FECE	
COc1cccc(CNC(=O)CCS(=O)(=O)c2ccc(C)cc2)c1O	1636061226	JZMZNRZQZZEHAS-UHFFFAOYSA-N	363.435	2.189	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1	1642974717	LMDHCVQGGUYZMA-DGCGTSBHSA-N	373.430	2.232	10	10	FECE	
Cc1ccc([C@](O)(CC(=O)NCc2ccc(O)cc2O)C(F)(F)F)o1	1570462022	AEYKPXWSSDZVHH-OAHLLOKOSA-N	359.300	2.456	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3cccc4c3OCO4)cc2)CC1	1598277063	KPGQBSNLCHERPF-UHFFFAOYSA-N	353.422	2.097	10	10	FECE	
CCOc1ncc(CCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cn1	1866397670	CVESSIQPNYDEIG-UHFFFAOYSA-N	370.453	2.165	10	10	FECE	
C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCOC1)c1ccccc1O	1877547834	FCUDJNNZFVAFTP-XEZPLFJOSA-N	364.442	2.499	10	10	FECE	
COc1cc2c(cc1OC)N(Cc1nnnn1Cc1ccccc1)CC2	1970281979	PWNUMQFUYISRCP-UHFFFAOYSA-N	351.410	2.301	10	10	FECE	
C[C@@H](NCc1cccc(Br)c1O)[C@H]1CCCS(=O)(=O)C1	2146102110	CCRMYMOABQKRAL-PWSUYJOCSA-N	362.289	2.458	10	10	FECE	
COc1ccc(O)c(CN[C@@H]2COC[C@@H]2CNC(=O)OC(C)(C)C)c1	2036599999	RKYWQNPEBQCOGC-DZGCQCFKSA-N	352.431	2.030	10	10	FECE	
C[C@H](O)CN(CCNCc1ccc2c(c1)CCN2C)C(=O)OC(C)(C)C	394223921	UMULKTDAPRZUJU-HNNXBMFYSA-N	363.502	2.386	10	10	FECE	
CN1CCc2cc([C@@H](N)c3cn(C)c(CNC(=O)OC(C)(C)C)n3)ccc21	2179603775	NVSHLPNVDXDAEL-GOSISDBHSA-N	371.485	2.485	10	10	FECE	
C[C@@H]1[C@@H](C)S(=O)(=O)CCN1c1ccc(CN)c(Br)c1F	2170279893	PDJQPNJMPPVNAU-RKDXNWHRSA-N	365.268	2.059	10	10	FECE	
Nc1ccc(OC[C@H](O)CN2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1	2188877842	JWOKNFUQUYISEJ-UZKOGDIHSA-N	367.493	2.215	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)N2CCC(N=[N+]=[N-])CC2)C1	2060633789	RNYHUABXGOZANE-CYBMUJFWSA-N	353.423	2.314	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)NCC2(CN=[N+]=[N-])CC2)CO1	2060608212	DYLNRBSRGDLUPI-NEPJUHHUSA-N	353.423	2.218	10	10	FECE	
CN1CCCc2cc(CN[C@H]3COC[C@H]3NC(=O)OC(C)(C)C)ccc21	2093581525	SIYPIKRINIMWJY-DLBZAZTESA-N	361.486	2.451	10	10	FECE	
COC(=O)[C@H](CO)NC(=O)C=Cc1cc(C)n(-c2ccc(C)cc2)c1C	2296032584	KJPHCXRAZACTEO-SFHVURJKSA-N	356.422	2.066	10	10	FECE	
CCOC(=O)N1CCN(N=Nc2cc(OC)c(OC)c(OC)c2)CC1	2330246016	KQPLSLBMGSZPTA-UHFFFAOYSA-N	352.391	2.485	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN(C)Cc3ccc(C)o3)CC2)cc1	7493870	TVIMINLVADBVGQ-UHFFFAOYSA-N	357.454	2.377	10	10	FECE	
Cc1cc(/C=C/C(=O)N2CCN3C(=O)NC[C@@H]3C2)c(C)n1-c1ccccc1	176263126	OCKZBRTUEQEXEQ-CSHXORCISA-N	364.449	2.343	10	10	FECE	
CC(=O)c1cc(F)cc(CN(C)CC2CCN(C[C@H](C)O)CC2)c1O	175648307	ZBBILFVLFDDPOM-ZDUSSCGKSA-N	352.450	2.259	10	10	FECE	
COc1cc(Cl)cc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)c1O	184677057	OWZSAIHFQKKIQW-CYBMUJFWSA-N	368.861	2.125	10	10	FECE	
COc1ccc(CC(=O)N2CCN(c3ccc4c(c3)OCCO4)CC2)cc1	41380079	PXDJBSOUSGGOJD-UHFFFAOYSA-N	368.433	2.358	10	10	FECE	
CO[C@@H](C)c1noc(CN2CCCN(Cc3cc(C)ccc3O)CC2)n1	247228706	WFIMMLQEUAEVNA-HNNXBMFYSA-N	360.458	2.499	10	10	FECE	
CCCCNC(=O)C(C)(C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	243112763	JFOCDXVUPLUVMA-UHFFFAOYSA-N	361.486	2.286	10	10	FECE	
CC(=O)N(C(=S)N(CCN)C(=O)OC(C)(C)C)c1ccc(N)cc1	243748861	PVMZTICCZREAMJ-UHFFFAOYSA-N	352.460	2.102	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1	808540952	LLZYZOINJJGMHV-BMIGLBTASA-N	372.204	2.214	10	10	FECE	
CN(CCC(=O)Nc1ccc(N)cc1)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12	2163022204	WPQOTTJAYGLULR-HOTGVXAUSA-N	374.485	2.395	10	10	FECE	
COc1cc(CN2CCC[C@H](CS(N)(=O)=O)C2)c(O)c(C(C)(C)C)c1	824776214	FQMHXIPYFFVMQL-ZDUSSCGKSA-N	370.515	2.199	10	10	FECE	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1[C@H]2COC[C@H]21	825430209	VBXKVUSVECSQKL-ZSHCYNCHSA-N	352.381	2.265	10	10	FECE	
COC[C@@](C)(NC(=O)Cc1cc(C)n(-c2ccccc2)c1C)C(=O)OC	829977175	VVKTYLHTGVBPPS-HXUWFJFHSA-N	358.438	2.331	10	10	FECE	
COc1cc(Br)cc([C@H](C)NCCc2n[nH]c(C)n2)c1O	848543476	FNOJIFXYELJZDL-QMMMGPOBSA-N	355.236	2.483	10	10	FECE	
CO[C@@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)[C@@](C)(C(=O)O)C1	910262589	IEYLBHORLFEYND-IFXJQAMLSA-N	357.410	2.193	10	10	FECE	
Cc1cc(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)c(C)n1-c1ccc(F)cc1	848307807	PCDCAPMCNBFNGW-ZWKOTPCHSA-N	357.429	2.124	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCC[C@@H]2CCC(F)(F)C2)cc1	929236861	DUFAIWRHZRWDQD-ZDUSSCGKSA-N	353.413	2.311	10	10	FECE	
CO[C@H](C(=O)NCc1cc(NC(=O)[C@H](OC)C(C)C)ccc1O)C(C)C	923120307	PLXMLPVBDWMYNN-DLBZAZTESA-N	366.458	2.289	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cccc4c3CCNC4)C2)cc1	852900758	RFXDWLCVSBKDMS-INIZCTEOSA-N	351.450	2.350	10	10	FECE	
C[C@H](N[C@H](CO)c1ccnn1C)c1ccc(N2CCOCC2)cc1Cl	858434866	RKEGXKAHIOBWPI-SUMWQHHRSA-N	364.877	2.294	10	10	FECE	
COCc1n[nH]c(CN[C@@H](C)c2cc(Br)c(F)cc2O)n1	850515289	VUBLFLCWVLSQBA-ZETCQYMHSA-N	359.199	2.409	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1	750639759	XEVXPDSYYVQILH-QGPMSJSTSA-N	358.486	2.341	10	10	FECE	
C[C@H](NC[C@H](O)[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1Cl	858468009	BHUKFMPOLVUTAU-KKXDTOCCSA-N	354.878	2.367	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCN2C2CCOCC2)c1	927648467	LYKIQYSTQFZXLZ-UKRRQHHQSA-N	363.458	2.014	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](O)C34CCCC4)C2)cc1	852448522	KBIONSKWNDQECG-MAUKXSAKSA-N	359.470	2.363	10	10	FECE	
CC1(C)C[C@H](S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CO1	859001734	ZFSSSTWKNDJSEJ-HOTGVXAUSA-N	369.483	2.271	10	10	FECE	
CO[C@H](C)CS(=O)(=O)NC(=O)c1sccc1-n1c(C)ccc1C	764195864	UQUICIXKNVRULP-GFCCVEGCSA-N	356.469	2.250	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C)nn2CC)cc1	861701519	RWFSQSPHCHHLAQ-UHFFFAOYSA-N	357.458	2.313	10	10	FECE	
COc1ccc(N2CCCN(C(=O)NCC[C@H](C)[S@](C)=O)CC2)cc1	765979096	HYMKBKFDXAFHMJ-MQNRADLISA-N	367.515	2.074	10	10	FECE	
C[C@H](NC(=O)NCc1ccc(S(C)(=O)=O)s1)c1ccccc1O	868530235	GNNIMLAQQMDMFV-JTQLQIEISA-N	354.453	2.418	10	10	FECE	
COC(=O)[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)c1cccc(O)c1	775107997	ASXSLTJXGPTFBP-CQSZACIVSA-N	362.338	2.019	10	10	FECE	
NC(=O)CCCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	779812413	LVBFELYTFBNZHY-OAHLLOKOSA-N	367.877	2.172	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H](OC)c3ccc(O)cc3)CC2)cc1	786632969	MMOAGDXTLPKSPZ-LJQANCHMSA-N	356.422	2.437	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3cncc4nc[nH]c34)C2)cc1	898006894	GSDYNUZHOGSVCK-CYBMUJFWSA-N	351.410	2.223	10	10	FECE	
C[C@H]1[C@H](NC(=O)NCc2ccccc2O)CC(=O)N1Cc1ccccc1	798396273	WYHPQQAEQFPTGR-WMLDXEAASA-N	353.422	2.381	10	10	FECE	
CCCN1CCC(CNC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1	793823508	IGENAANSJHMXMP-INIZCTEOSA-N	374.529	2.168	10	10	FECE	
COc1cc(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)ccc1O	797820446	YDKKPZVAODTMEJ-UHFFFAOYSA-N	362.407	2.111	10	10	FECE	
C[C@H](NCC1(CCO)CN(C(=O)OC(C)(C)C)C1)c1ccc(O)cc1O	2119202435	HSUSFSZZODJJNF-ZDUSSCGKSA-N	366.458	2.368	10	10	FECE	
COc1cc(N2CCN(Cc3nn(C)cc3C)CC2)cc(OC)c1OC	1333344327	YZTUYZBQPFSMSC-UHFFFAOYSA-N	360.458	2.077	10	10	FECE	
C[C@H](Cc1cccc(F)c1)N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1	1261866541	HHBINNRWBCPEFC-CYBMUJFWSA-N	356.397	2.463	10	10	FECE	
COC(=O)c1ccc2c(c1)CCCCN2C(=O)c1ccnc2c1CC(=O)N2	1349519587	DEJREMKNBMSFPG-UHFFFAOYSA-N	365.389	2.346	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N[C@@H]3CC[C@@H]4CN(C)C[C@@H]43)CC2)cc1	1263707493	KYEFTIWPMBKXSP-UIAACRFSSA-N	372.513	2.303	10	10	FECE	
CN(C)C(=O)c1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)cc1	1290552486	OMOSFDKQTAOEHG-UHFFFAOYSA-N	353.382	2.481	10	10	FECE	
Cc1ccc(-c2nnc(N(C)Cc3ccccc3O)n2CC(=O)N(C)C)o1	1707345828	INKBGMGOQLLBSR-UHFFFAOYSA-N	369.425	2.277	10	10	FECE	
CC[C@H]1CN(C)CCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1479532283	AWPDFIQLIZTQHA-HKUYNNGSSA-N	361.534	2.091	10	10	FECE	
O=C(CNC(=O)COc1ccccc1)NCc1c(O)ccc2ccccc12	1635965008	INPWEXBZTQERJH-UHFFFAOYSA-N	364.401	2.357	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CCn1nc(C)c([N+](=O)[O-])c1C	1640259974	MBPNHLSKHGKLDC-UHFFFAOYSA-N	367.402	2.306	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)c3cc(=O)n(C)cn3)c2C)c1	1648611856	RBUFIWLWCVZEHL-UHFFFAOYSA-N	350.422	2.426	10	10	FECE	
COc1ccc(CNC(=O)NCc2cc3c(nc2O)CCCC3)c(O)c1	1687378490	BQVTWNGNPUZZII-UHFFFAOYSA-N	357.410	2.380	10	10	FECE	
COc1ccc(Br)c(CNCC[C@H](C)[S@](C)=O)c1O	1971658613	HDDZWXURCCYRGS-UGZDLDLSSA-N	350.278	2.410	10	10	FECE	
Nc1ccc(N2CCN(C(=O)N3CC(OCc4ccccc4)C3)CC2)cc1	2161362088	KVJKRGHDSZOGAU-UHFFFAOYSA-N	366.465	2.412	10	10	FECE	
Nc1ccc(CCC(=O)NCC2(O)CCN(Cc3ccccc3)CC2)cc1	397593285	NUQARVFJYMNEAX-UHFFFAOYSA-N	367.493	2.345	10	10	FECE	
CN(C(=O)CN1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccc(N)cc1	2188879579	SWFGHELNUUZMHP-WMLDXEAASA-N	374.485	2.173	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](OCCNCc2ccc(O)cc2O)C1	2046755086	UVRQDKOKUWBRHZ-HNNXBMFYSA-N	352.431	2.213	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)CC12CCC2	2049781294	SYGDJCLZKQLWCE-MGPQQGTHSA-N	350.459	2.432	10	10	FECE	
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1ccccc1O	2060387041	GWFOUGPMMUQYIF-WFASDCNBSA-N	352.431	2.451	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)c1cn(C)c(CNC(=O)OC(C)(C)C)n1	2060638685	ZSOKEPLMUBBMSY-UHFFFAOYSA-N	351.411	2.217	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060617187	KOLQMQUFFNFCJP-RWMBFGLXSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC(C)(C)[C@H]1C(=O)N1CC[C@@H](N=[N+]=[N-])C1	2253907691	VZFOYZJQCXRFBH-VXGBXAGGSA-N	353.423	2.312	10	10	FECE	
COc1cc(OC)c(C=C2NC(=S)N(C)C2=O)cc1Br	2297308526	NMLHZSDDENWYKO-UHFFFAOYSA-N	357.229	2.154	10	10	FECE	
O=C1NC(=O)N(c2ccccc2F)C(=O)C1=CNCc1ccccc1F	2297317886	DCRFRSUCDJTZPY-UHFFFAOYSA-N	357.316	2.221	10	10	FECE	
C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C=Cc1ccc(N2CCOCC2)cc1	2297636520	PAIFARKDSXDWPD-XLIONFOSSA-N	357.498	2.335	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N[C@@H]1c2ccccc2C[C@H]1O	2302271870	BKDMPDSOKPOMHE-IFMALSPDSA-N	364.445	2.311	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)NC[C@H](c1ccccc1)N1CCOCC1	2307987468	HUGAYVPZXHSMSN-GOSISDBHSA-N	368.433	2.301	10	10	FECE	
CN1CCN(C=C2SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1	2313610122	RSOVPOCHNUTPGP-UHFFFAOYSA-N	364.452	2.048	10	10	FECE	
COC(=O)c1ncn(CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n1	112226094	YHDJVVMGQVQULG-UHFFFAOYSA-N	356.357	2.494	10	10	FECE	
Nc1ccc(NC(=O)CS(=O)(=O)c2ccc(Br)cc2)cc1	35309195	BPFKHSMGZITYJQ-UHFFFAOYSA-N	369.240	2.444	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCN(C/C=C/c2ccccc2)CC1	253458667	JMVGGWBJBZVFPY-QPJJXVBHSA-N	352.434	2.498	10	10	FECE	
Cc1nc(NC(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)nn1C	553508349	VEHWFBLUUBPABX-UHFFFAOYSA-N	366.469	2.483	10	10	FECE	
C[C@@H](NC(=O)C(=O)NCCCc1ccccn1)c1ccc(N(C)C)cc1	807108107	RJABXEZJVZOPKL-OAHLLOKOSA-N	354.454	2.074	10	10	FECE	
CC(C)OC[C@@H](O)CNc1ccccc1OCC(=O)Nc1cccnc1	819472027	ZSGDDDLPGCZNMA-INIZCTEOSA-N	359.426	2.297	10	10	FECE	
C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccn1	827158026	MCVUUMKELJRHFN-INIZCTEOSA-N	366.465	2.218	10	10	FECE	
COC[C@]1(C(=O)OC)CCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1O	827489853	WHTFSGGHLGENAA-HNNXBMFYSA-N	358.778	2.108	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1	830957810	NQIPWTYYQBJVJY-XUVXKRRUSA-N	359.514	2.384	10	10	FECE	
CN(C)c1ccc(/C=C\CN[C@H](C(=O)O)[C@@H](O)Cc2ccccc2)cc1	904048271	MCWBHBMPTBSJDG-AWPWWVNJSA-N	354.450	2.412	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1	838142721	AEANVCOXONCQSH-MRXNPFEDSA-N	358.312	2.356	10	10	FECE	
Cc1nnc(CN(C)CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1C	742245156	DCVUQIIRDVRFEA-UHFFFAOYSA-N	372.517	2.059	10	10	FECE	
COc1cccn2c(=O)n(Cc3ccc(N4CCC(OC)CC4)cc3)nc12	842614629	JGOUHHUIPHRRLK-UHFFFAOYSA-N	368.437	2.168	10	10	FECE	
CCN(CC)CCS(=O)(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	841569637	MWCMKZBTCQUCDR-MRXNPFEDSA-N	355.548	2.253	10	10	FECE	
CCOC(=O)[C@H]1Cc2cccc(F)c2N(C(=O)/C=C\c2cnn(C)c2)C1	844641126	JAWZFLAMDIRIGF-LZNQSLFOSA-N	357.385	2.341	10	10	FECE	
CC(C)(C)OC(=O)COCC(=O)NCc1cc(Br)ccc1O	843887057	SPEXWBPUTYIKEY-UHFFFAOYSA-N	374.231	2.129	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C3CCN(C(=O)C(C)C)CC3)C2)cc1	855230875	FWNISOFPNNBXTL-KRWDZBQOSA-N	373.497	2.285	10	10	FECE	
O=C(N[C@@]1(c2cc(O)c(O)c(O)c2)C[C@@H]1C(=O)O)OCc1ccccc1	1952774255	FSYCSRSWGUFNIW-KZULUSFZSA-N	359.334	2.030	10	10	FECE	
COc1ccc(CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)c(O)c1	850763038	UFWPWIAJXFSPAX-GOSISDBHSA-N	357.410	2.383	10	10	FECE	
C[C@H](NCC[S@@](=O)C(F)(F)F)c1ccc(N2CCOCC2)cc1	930209772	IJPYEMNEAAPJFY-DAOPMYJZSA-N	350.406	2.442	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCS(=O)(=O)[C@@H](C)C2)c1	859484071	URMDIYRVECVANG-AWEZNQCLSA-N	374.462	2.166	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C3CCN(CC(F)F)CC3)C2)cc1	855223323	FLYVKCGNJKIILU-OAHLLOKOSA-N	367.440	2.367	10	10	FECE	
Nc1ccc(CCNC(=O)C(=O)Nc2cccc(C3CCOCC3)c2)cc1	861504145	WQWQALUUDUSQRP-UHFFFAOYSA-N	367.449	2.460	10	10	FECE	
Cc1cccc2c1C[C@@H](N1C(=O)CN(Cc3ccccc3O)C1=O)CO2	863520146	KCYVWFFGVSGHOH-OAHLLOKOSA-N	352.390	2.469	10	10	FECE	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1[C@H]2C[C@@H]3CO[C@H]1[C@H]3C2	865315063	HFUHPDPXHOVPEY-WJAJXBPASA-N	362.813	2.233	10	10	FECE	
COC(=O)/C=C\c1ccc(N2C[C@@H](CO)[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1	866077406	SWTXRRYKXOUNRX-HRHAQSILSA-N	374.315	2.388	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CCc3nnc(C(F)F)o3)C2)cc1	869229020	ROHPZFUIPYBUBB-NSHDSACASA-N	366.368	2.344	10	10	FECE	
CC(C)(O)C[C@@H](O)CN[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	872203164	BRAYSNGWGZVTLK-UKRRQHHQSA-N	358.429	2.368	10	10	FECE	
Cc1cc(CC(=O)NCCC[C@H]2C=NNC2=O)c(C)n1-c1ccccc1	898741671	CBJWFGVQSPOUQD-INIZCTEOSA-N	352.438	2.265	10	10	FECE	
O=C(CC[C@@H]1CC[C@H](C2OCCO2)O1)NCCCSc1nccs1	896334383	MMPONKGLNUIXQU-QWHCGFSZSA-N	372.512	2.442	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H](CN2CCOCC2)C1	896684138	PEYHOIWPKSUCLC-LBPRGKRZSA-N	362.451	2.107	10	10	FECE	
COc1ccc(CNC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1C	702849175	SUXXTWVURMCDJS-HZPDHXFCSA-N	350.459	2.321	10	10	FECE	
OC[C@@H](CNCc1cc2c(cc1O)OCO2)Cc1ccc(F)c(F)c1	791004589	NKIUDAVEBZOVFW-GFCCVEGCSA-N	351.349	2.340	10	10	FECE	
C[C@@H](O)c1ccc(N(C)CCCS(C)(=O)=O)cc1Br	694161903	VHGNOPPPOLSILV-SNVBAGLBSA-N	350.278	2.373	10	10	FECE	
COc1ccc([C@@H](C)N=c2[nH]ccnc2I)c(O)c1	2121641199	CKVNMVXORKGPHA-MRVPVSSYSA-N	371.178	2.390	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)OC[C@@H]2C(=O)N1CCC(N=[N+]=[N-])CC1	2124536565	RQNVUQBINZKZRX-RDBSUJKOSA-N	365.434	2.170	10	10	FECE	
Cn1c(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)cnc1CNC(=O)OC(C)(C)C	2124539290	TYACZTGMZGOIHY-NSHDSACASA-N	363.422	2.360	10	10	FECE	
COc1ccc(CN[C@H](C[C@@H]2CCCOC2)C(=O)O)cc1Cn1cccn1	1262158505	NKZUOIKSBUJZED-FUHWJXTLSA-N	373.453	2.300	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cn(CC2(C)COC2)nn1	1525107437	RRQBHLHRGHJZED-UHFFFAOYSA-N	369.469	2.187	10	10	FECE	
COC[C@H]1COCCN1C(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2	1462959425	JLFOMZLQBUPZBD-HNNXBMFYSA-N	372.465	2.403	10	10	FECE	
O=C(Cn1nnnc1-c1ccccc1)Nc1c(Cl)ccc2nonc12	1539058563	GTOIHCZFWINVOB-UHFFFAOYSA-N	355.745	2.168	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c(C)nnc1N(C)CCc1cnccn1	1611963743	YZZSCOCCUYGZKN-UHFFFAOYSA-N	365.485	2.478	10	10	FECE	
C[C@H](F)CCNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136257091	WJHUCASCQCKOGI-AAEUAGOBSA-N	370.421	2.398	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)Cn3nnc4ccccc43)CC2)cc1	1630992805	XGINANWBJNZEKF-UHFFFAOYSA-N	365.437	2.179	10	10	FECE	
O=C(Cc1ccc(Br)cc1O)NCc1c(O)cccc1O	1645363190	POMNUKXRRPRZLT-UHFFFAOYSA-N	352.184	2.425	10	10	FECE	
Cc1ccc(O)c(CNC(=O)Cc2c(C)[nH]c(-c3ccncc3)nc2=O)c1	1641728797	HETLQCHWFXWJQS-UHFFFAOYSA-N	364.405	2.013	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN(C)CC(C)(C)C)CC2)cc1F	1595481664	FGTWNHZZUMUDBK-UHFFFAOYSA-N	351.466	2.461	10	10	FECE	
CCN(OC)C(=O)CNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C	1683567405	JMEKXCBFBSAXDS-UHFFFAOYSA-N	372.469	2.346	10	10	FECE	
Cc1ccc(O)c(CNCCC(=O)NCCc2nc3ccccc3[nH]2)c1	1860713467	BSLYVUBHBCOMCL-UHFFFAOYSA-N	352.438	2.416	10	10	FECE	
C[C@@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2cccc(O)c2O)C1	1973749317	WJMKZHHJWWOFJI-NXEZZACHSA-N	360.332	2.017	10	10	FECE	
COC(=O)[C@@H](CCNCc1c(C)cccc1O)NC(=O)OC(C)(C)C	2042626810	PUTOTDWANPYRAD-CQSZACIVSA-N	352.431	2.247	10	10	FECE	
CN(CC[S@](C)(=O)=NC(=O)c1ccc(O)c(O)c1)C(=O)OC(C)(C)C	2054415093	BORTZITWJGOYAJ-VWLOTQADSA-N	372.443	2.203	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)Nc1ccc(N)cc1	2058676974	RLCMILQTZAOZHW-UONOGXRCSA-N	350.419	2.025	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1[C@@H](C(=O)NCc2ccccc2O)C1(F)F	2060062922	IDZFGVZEVKXXKF-AAEUAGOBSA-N	356.369	2.414	10	10	FECE	
C[C@H]1CCN(C(=O)COc2ccc(N)cc2)C[C@@H]1NC(=O)OC(C)(C)C	2106776708	KWEZSRJUPDIAQN-BBRMVZONSA-N	363.458	2.409	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(CCCOc2ccc(N)cc2)C1	2106753614	JVMQNLOLNHWSSR-TZMCWYRMSA-N	359.392	2.427	10	10	FECE	
CCCS(=O)(=O)C[C@@H](C)NCc1c(O)cccc1Br	2114188980	JURBJCKLSCSPPK-SNVBAGLBSA-N	350.278	2.458	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)N1CC[C@H](N=[N+]=[N-])C1)C1CCOCC1	2259902592	OCSGVZRYTNLAHO-LBPRGKRZSA-N	353.423	2.314	10	10	FECE	
CN(C(=O)CCN(CCCO)C(=O)OC(C)(C)C)c1ccc(N)cc1	2319836337	NFORNSIQGYOAJN-UHFFFAOYSA-N	351.447	2.241	10	10	FECE	
O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/NCc1ccc(F)cc1	103844382	JHYORHOKVUVVHM-XNTDXEJSSA-N	373.384	2.386	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc(C)nc4c3cnn4C)CC2)cc1	175083905	SBYNQMMPZYNEDY-UHFFFAOYSA-N	365.437	2.248	10	10	FECE	
COc1cnccc1[C@@H](C)NCC(=O)N(C)Cc1ccc(N(C)C)cc1	187067799	IYWDRRRVPFUPSJ-OAHLLOKOSA-N	356.470	2.465	10	10	FECE	
Cc1nn(-c2ccc(F)cc2F)c(C)c1C=C1C(=O)N(C)C(=O)N(C)C1=O	44012877	HNRPSIGZYKTMRJ-UHFFFAOYSA-N	374.347	2.201	10	10	FECE	
C[C@H]1CN(Cc2cc(Br)ccc2O)C[C@H]1N1CCOCC1	245689386	BDBUCASWGVFBKW-SWLSCSKDSA-N	355.276	2.307	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2C[C@H](C(F)(F)F)OC[C@H]2C)c1O	809696708	OZPCSCZPOKCHSM-LDYMZIIASA-N	350.293	2.461	10	10	FECE	
COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1cc(Cl)c(F)cc1O	816521829	ZTIHKQKMMZQBDE-UXOAXIEHSA-N	371.792	2.110	10	10	FECE	
COc1ccc(N2CCN(C(=O)C[C@@H](O)Cc3ccccc3)CC2)cc1	813365512	DLZVOFSXIQSLJZ-IBGZPJMESA-N	354.450	2.338	10	10	FECE	
CN(C[C@@H](O)CNCc1ccc(N(C)C)c(F)c1)C(=O)OC(C)(C)C	818985798	ZYSJRDLQXCVVTO-AWEZNQCLSA-N	355.454	2.209	10	10	FECE	
O=[N+]([O-])c1cc(Cl)cc(CN2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1O	824653668	FCWDROYRWWKGGJ-LERXQTSPSA-N	356.806	2.316	10	10	FECE	
CO[C@@]1(CN[C@@H](C)c2cccc(C(F)(F)F)c2O)CCS(=O)(=O)C1	903363679	QSGJVCIISRNVHB-IINYFYTJSA-N	367.389	2.265	10	10	FECE	
COc1ccc(N2CCC(N[C@H]3CNCC4(CCOCC4)C3)CC2)cc1	903971753	DDIUPBXLMXKYIG-GOSISDBHSA-N	359.514	2.412	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN3CC(C(C)(C)C)C3)CC2)cc1	840765473	VSBXUGVVGBYDJZ-LJQANCHMSA-N	361.530	2.156	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cn(C)nc3C(F)F)C2)cc1	855233828	NPCNRRAXIZVMHJ-LLVKDONJSA-N	350.369	2.375	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cnn2c1CCCC2	750633398	SCQKSZDPCKQIHD-UHFFFAOYSA-N	370.453	2.101	10	10	FECE	
O=C(NCCO[C@@H]1CC1(F)F)NCc1ccc(N2CCSCC2)cc1	851991004	BOZPKYLSTYRVGK-OAHLLOKOSA-N	371.453	2.463	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CCNC(=O)OC(C)(C)C)C2)cc1	855229017	JFJSAKUIHMYOLJ-AWEZNQCLSA-N	363.458	2.305	10	10	FECE	
CO[C@@H](CS(=O)(=O)NCCc1ccc(N)cc1)c1ccc(F)cc1	858611141	VZEIUDMUWCPGPY-KRWDZBQOSA-N	352.431	2.258	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H](O)c3cccc(OC)c3)C2)cc1	855234301	WWTVDCCEUNHHPS-HNAYVOBHSA-N	356.422	2.132	10	10	FECE	
CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)NCCCSc2nccs2)C1	853859789	YCYYJBCSGLWKGV-GFCCVEGCSA-N	371.532	2.023	10	10	FECE	
CCO[C@@H](C(=O)NCc1cc(Br)ccc1O)[C@H]1CCOC1	868306777	BLGQCWDWYZMWEA-IINYFYTJSA-N	358.232	2.213	10	10	FECE	
CN(C)c1ccc(CNC[C@@]23COCCN2C(=O)OC3)c(C(F)(F)F)c1	865769809	DPPVXBVMVJUAGX-INIZCTEOSA-N	373.375	2.082	10	10	FECE	
COc1cccc([C@H](C)NCc2ccc(CN3C(=O)CNC3=O)cc2)c1O	866524527	FXMPTCRLCQFYMD-ZDUSSCGKSA-N	369.421	2.303	10	10	FECE	
COCc1cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)ncn1	772382961	DJJZHKJYEIQQHP-UHFFFAOYSA-N	373.482	2.498	10	10	FECE	
C[C@H](Nc1ccc2c(c1)CN(CC(N)=O)CC2)c1cc([N+](=O)[O-])ccc1O	788611583	XENONMBSXAVYGD-LBPRGKRZSA-N	370.409	2.317	10	10	FECE	
COC(=O)[C@@H]1C[C@@H]1CNC(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2	1133446021	OHHMLVMGHSNYKR-CZUORRHYSA-N	370.449	2.454	10	10	FECE	
COC(=O)c1c(CNCCCN2CCCC2=O)c2cc(F)ccc2n1C	894149980	SMZMAOBGWKFBNE-UHFFFAOYSA-N	361.417	2.206	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1csc(O)n1	792291373	KIOKIOZEXMZGPS-UHFFFAOYSA-N	372.494	2.311	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](Nc3c(N)cccc3C(=O)O)[C@H]2C1	2121656977	LILIDRZBWZUXLM-BNOWGMLFSA-N	363.414	2.013	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC[C@@]1(C)CC1(F)F	1327256220	RNKVSXYUYJCLIG-KRWDZBQOSA-N	353.413	2.263	10	10	FECE	
C[C@@H]1CN(c2ccnc(C(=O)NCc3cccc(O)c3O)c2)C[C@@H](C)O1	1520508966	QECCRDOAJACCDE-CHWSQXEVSA-N	357.410	2.036	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)[C@@H](O)c1cccc(Br)c1	1545669400	ZEOKHISOBBRUOE-HNNXBMFYSA-N	366.211	2.253	10	10	FECE	
CN1C[C@@H](C(=O)NCc2ccc3cccnc3c2O)c2ccccc2C1=O	1627073209	MGEBKBIJABEIPA-QGZVFWFLSA-N	361.401	2.426	10	10	FECE	
CC(=O)N[C@@H](CC(=O)NCc1cc(O)ccc1O)c1c(F)cccc1F	1558174412	MJUCXEUIJFEZPR-HNNXBMFYSA-N	364.348	2.260	10	10	FECE	
CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(O)cc2O)c1	1630302063	QEMLFXVKURCRMB-UHFFFAOYSA-N	369.826	2.475	10	10	FECE	
OC1(CN2CCCCC2)CCN(Cc2ccc(N3CCOCC3)cc2)CC1	1656474551	KVFDDQFZDFPFOE-UHFFFAOYSA-N	373.541	2.336	10	10	FECE	
Cn1cnc2ccc(C(=O)NCc3ccc(N4CCSCC4)cc3)nc21	1596358349	AAOQPADEKAXLIZ-UHFFFAOYSA-N	367.478	2.452	10	10	FECE	
CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)Cc2ccccc2O)c(F)c1	159645044	JQAWQAUVFNHRFX-UHFFFAOYSA-N	370.377	2.450	10	10	FECE	
Cc1c(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)n(C)c2cc(Cl)ccc12	1858178084	IZAQSSQYRNJVCD-GFCCVEGCSA-N	354.859	2.399	10	10	FECE	
CCCNCc1ccc(N(C)CCS(C)(=O)=O)c(Br)c1	233104465	ZHFBEKRQNRYQEU-UHFFFAOYSA-N	363.321	2.430	10	10	FECE	
COCCn1cc(C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cn1	1890051342	CNKSRFGKXREUAH-LPHOPBHVSA-N	354.454	2.448	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](CC(=O)NCc2ccccc2O)O1	1969154565	OWACLGDXVODNFP-DZGCQCFKSA-N	364.442	2.423	10	10	FECE	
CN(C(=O)OCc1ccccc1)C1CN(c2cc3c(cc2N)OCCO3)C1	1999544961	HPYCHONISJAKDW-UHFFFAOYSA-N	369.421	2.497	10	10	FECE	
C[C@H]1CN(c2ccc(CN)c(Br)c2F)C[C@@H](C)S1(=O)=O	400897465	KJOBRWQTFOSCGK-DTORHVGOSA-N	365.268	2.059	10	10	FECE	
CC(C)(C)OC(=O)NCCCCNC(=O)CCOc1ccc(N)cc1	2044207999	YCOIMHAHYXMTBK-UHFFFAOYSA-N	351.447	2.459	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2060638903	CEQDLHMVXGJNMK-YNEHKIRRSA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)CCc1ccc(N)cc1	2106233135	ZAWVEAHQWLNNNM-UHFFFAOYSA-N	359.430	2.010	10	10	FECE	
CCN(CC(=O)N(C)c1ccc(N)cc1)C[C@H](C)NC(=O)OC(C)(C)C	2106760480	PHKCSRGJDCQXBS-AWEZNQCLSA-N	364.490	2.467	10	10	FECE	
COc1cc(N)c(N2CC[C@H](C)[C@@H](NC(=O)C(F)(F)F)C2)cc1OC	2106840054	YLHOXHUKDOEKSR-ONGXEEELSA-N	361.364	2.179	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)OC(C)(C)C	2107816373	FMGCLRJHZJEIKK-KSYCFECVSA-N	360.458	2.051	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])CO1	2218739899	HITGUMZWTYGBAO-RNJOBUHISA-N	353.423	2.358	10	10	FECE	
CC(C)(C)OC(=O)NCCOCCOCCNCc1cccc(F)c1O	2225556774	CRGXYXGXDMIDIL-UHFFFAOYSA-N	372.437	2.179	10	10	FECE	
CSc1ncc(CNC(=O)C[C@H](N)COCc2ccccc2)s1	2243774134	WXMFJBLVJYPUKL-ZDUSSCGKSA-N	351.497	2.415	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)c1cnn(C)c1CNC(=O)OC(C)(C)C	2315987202	OVSQUUODEDRQFV-UHFFFAOYSA-N	351.411	2.217	10	10	FECE	
C[C@H](NS(=O)(=O)N1CCC[C@@H](C)C1)c1ccc(N2CCOCC2)cc1	68462452	AGOPJQYIBINPKA-CVEARBPZSA-N	367.515	2.151	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)NC[C@H]3CN(C)CCO3)c2C)cc1	194619626	MXOGHJPGMFIATG-SFHVURJKSA-N	357.454	2.163	10	10	FECE	
Nc1ccc(OCCN2C(=O)COc3ccc(Br)nc32)cc1	96499110	QARPZNUOOCHDLA-UHFFFAOYSA-N	364.199	2.231	10	10	FECE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(C)cc3)C(=N)N21	96460278	KPFXPGCZHHGSQR-KRLNTZMLSA-N	362.436	2.006	10	10	FECE	
COCCCN1C(=O)c2ccc(C(=O)Nc3ccc(N)cc3)cc2C1=O	244143860	UQXAWODDUHOJLG-UHFFFAOYSA-N	353.378	2.154	10	10	FECE	
CN(C)c1ccc([C@@H](O)[C@@H]2Cn3cnnc3CN2C(=O)OC(C)(C)C)cc1	2163065737	DHMCFPNPJRNELA-DOTOQJQBSA-N	373.457	2.197	10	10	FECE	
Cc1csc([C@@H](C)NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)n1	804503440	DJGDVOQTUZMURA-CQSZACIVSA-N	370.478	2.321	10	10	FECE	
COc1cc(CC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccn1	823834652	LRTUQVJOLZKGDO-OAHLLOKOSA-N	355.438	2.347	10	10	FECE	
CN(C)c1ccc([C@@H](N)CNC(=O)c2cnc(-c3cnn(C)c3)s2)cc1	832271953	AJXWJQDOPDQXBJ-HNNXBMFYSA-N	370.482	2.039	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCN(CC(=O)N3CCCC3)CC2)cc1	835025506	JXLOAYQXFJBYSZ-WAYWQWQTSA-N	356.514	2.006	10	10	FECE	
CC1(CC(=O)NCCc2ccc(O)c(O)c2)CN(C(=O)OC(C)(C)C)C1	1892638232	QRICAIMGRORMKW-UHFFFAOYSA-N	364.442	2.404	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@@H](C1CC1)[C@H]1CCCCO1)c1ccc(N(C)C)cc1	848933428	AMVBWVHUKUPAMR-KYNGSXCRSA-N	373.497	2.394	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N3CCO[C@H]([C@H](C)O)C3)cc2)CC1	840290972	BRQHKVHTIGKSQA-LPHOPBHVSA-N	361.486	2.214	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CC(=O)N[C@H]4CCCC[C@H]43)C2)cc1	855224864	HSLCFQMWOXKPMS-FZDIXFNVSA-N	371.481	2.085	10	10	FECE	
O=C(NCc1c(O)cccc1F)Nc1ccc(C(=O)N2CCOCC2)cc1	929742633	NLFIOFPGIMGBSU-UHFFFAOYSA-N	373.384	2.325	10	10	FECE	
C[C@@H](NC(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C)c1ccccc1O	827937039	IXYBLZNDPXCCFI-OCCSQVGLSA-N	350.415	2.205	10	10	FECE	
Cc1cc(C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)c(C)n1-c1ccccn1	856087517	WUHCKPVIFHPQJG-MRXNPFEDSA-N	369.469	2.317	10	10	FECE	
COC(=O)[C@@H]1CC[C@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn23)O1	861767108	VXFNPDWVBGEQIJ-KGLIPLIRSA-N	366.377	2.055	10	10	FECE	
Cc1cc(CNC(=S)NCc2ccc(N3CCOCC3)c(F)c2)no1	865230118	NRQXRCZXFZYCCJ-UHFFFAOYSA-N	364.446	2.123	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cnn(C)c1C1CC1	770718594	CJKHKLDWJFQHLC-UHFFFAOYSA-N	369.469	2.351	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN[C@H]3CCCC34CC4)CC2)cc1	872218375	MUZNGHAQCIHBPR-QUCCMNQESA-N	359.514	2.100	10	10	FECE	
Cc1cn2nc(C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)cc2c(=O)[nH]1	1123601076	SDGQUOJEGMGFGJ-UHFFFAOYSA-N	367.453	2.448	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H](CO)[C@H]3CCOC3)ccc21	1137913720	IGJUPXXIABCBGA-FUHWJXTLSA-N	360.454	2.032	10	10	FECE	
COC(=O)c1c(CN2CCN(C(=O)C3CC3)CC2)c2cc(F)ccc2n1C	893902654	KLALRTRXQBLCIP-UHFFFAOYSA-N	373.428	2.158	10	10	FECE	
Cc1cc(CC(=O)NCc2cc(C(N)=O)no2)c(C)n1-c1ccccc1	1137477303	NWZKVRKEKDLAGD-UHFFFAOYSA-N	352.394	2.040	10	10	FECE	
C[C@@H](CS(C)(=O)=O)N(C)c1ccc([C@@H](C)O)c(Br)c1	688603826	WHMVHRZDVZKCRH-VHSXEESVSA-N	350.278	2.372	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2124539501	WHUADKLKQYDIAM-KBPBESRZSA-N	367.450	2.465	10	10	FECE	
COC(=O)[C@@H](CC(=O)N1CCC[C@@H](N=[N+]=[N-])CC1)NC(=O)OC(C)(C)C	2124531694	FRNAAFCWWYVCPA-VXGBXAGGSA-N	369.422	2.134	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCC[C@H](N=[N+]=[N-])C2)C[C@H]2OCC[C@@H]21	2124503469	LLLQKKVXEMIPGU-XDQVBPFNSA-N	365.434	2.455	10	10	FECE	
CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CCC[C@H](N=[N+]=[N-])C2)CC1	2124533387	PHBNWPQCFLWASO-AWEZNQCLSA-N	366.466	2.277	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)Cc1ccc(O)c(O)c1	1446996853	USJPXZWTOKDMIA-STQMWFEESA-N	364.442	2.497	10	10	FECE	
CC(C)(C)OC(=O)N1CC(NCc2cc(Cl)ccc2O)(C(=O)O)C1	1913943367	REYSYRIHFUANSG-UHFFFAOYSA-N	356.806	2.209	10	10	FECE	
Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)NCc1ccccc1O	1465990506	LPHWCEMVECKTBR-UHFFFAOYSA-N	360.414	2.080	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3C[C@H](C)O[C@H]3C)CC2)c(OC)c1	1479112110	KCUNYDVPTAYOAM-OFQRWUPVSA-N	363.458	2.101	10	10	FECE	
CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	1556946411	ISHYSZVAABGCJJ-XNJJOIOASA-N	354.397	2.089	10	10	FECE	
Cc1cc(C(=O)N[C@H]2CN(C)NC2=O)c(C)n1-c1cccc(C(C)C)c1	1566867571	UQYLHVXRBIUJOJ-SFHVURJKSA-N	354.454	2.293	10	10	FECE	
C[C@@H](CONC(=O)/C=C\c1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	1631954163	PCPHYJOLRVGTOL-JYKYSHPRSA-N	352.387	2.072	10	10	FECE	
CCOc1ccc(S(=O)(=O)NC(=S)Oc2ccc(N)cc2)cc1	1858616675	VINAXYHGRNETTC-UHFFFAOYSA-N	352.437	2.310	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)c1cc(-c2ccc3c(c2)CCO3)[nH]n1	1860199499	DWHCPLPDGPMQST-UHFFFAOYSA-N	365.389	2.395	10	10	FECE	
O=C(NCC1CN(C(=O)OCc2ccccc2)C1)c1cccc(O)c1O	1982313532	KHTIVALBIVJZTB-UHFFFAOYSA-N	356.378	2.096	10	10	FECE	
COC(=O)c1nn(Cc2c(O)cccc2F)c(C(F)(F)F)c1[N+](=O)[O-]	2079217718	LREXXJADYVOUFV-UHFFFAOYSA-N	363.223	2.490	10	10	FECE	
Oc1ccc(CNC[C@H]2CC2(Br)Br)c(O)c1O	2213094266	JZUPCRWUFGSEME-SSDOTTSWSA-N	367.037	2.399	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)CCOC1	2060638877	BWZJLZHFSOUYOH-LRDDRELGSA-N	353.423	2.362	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2060638467	XEEGEKBYEYMQIT-OLZOCXBDSA-N	353.423	2.314	10	10	FECE	
COCCN(CC(=O)N1CCC[C@H](CN=[N+]=[N-])C1)C(=O)OC(C)(C)C	2060632408	AHBFOKFYRBTMBF-CYBMUJFWSA-N	355.439	2.419	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C2(CC2)CO1	2064049558	FAJRDNOZCVBZMG-GFCCVEGCSA-N	353.423	2.314	10	10	FECE	
Cn1ncc(Br)c1S(=O)(=O)Nc1ccc(O)cc1Cl	2089756476	MYSULWYTVOOQPD-UHFFFAOYSA-N	366.624	2.342	10	10	FECE	
CC(C)(C)OC(=O)N[C@](C)(C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-])C(C)(C)O	2218746634	RHDVJMKUMPALHH-OHUAYANFSA-N	355.439	2.388	10	10	FECE	
COc1ccc(N2C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)c(OC)c1	2219648333	YRYYZUPXHKGQLR-STQMWFEESA-N	352.431	2.168	10	10	FECE	
CS(=O)(=O)CCC1CC(NCc2cc(Br)ccc2O)C1	2233933426	JJEJYQUXALGQEK-UHFFFAOYSA-N	362.289	2.458	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1	2271769823	KQUOBGDOHIBWIC-JMERFSKESA-N	360.458	2.195	10	10	FECE	
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)cc1C	2294130785	HJUMUWWZTWNEIF-UHFFFAOYSA-N	355.306	2.471	10	10	FECE	
CCN(CC)CCNC=C1C(=O)NC(=O)N(c2ccc(C(C)C)cc2)C1=O	2297059938	SGCMLXOFEUBYSM-UHFFFAOYSA-N	372.469	2.208	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@]1(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])CCOC1	2312334452	XENPZPSCZVCVCI-WQGACYEGSA-N	353.423	2.360	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCCc2cccc(F)c2)c1	109700375	DLTABGQPNLIHTD-UHFFFAOYSA-N	366.414	2.265	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN(C)Cc3csc(C)n3)CC2)cc1	65300753	PPZQWOYCMMIADL-UHFFFAOYSA-N	374.510	2.241	10	10	FECE	
Cc1cc(C(=O)Nc2nc(CS(C)(=O)=O)no2)c(C)n1-c1ccccc1	118747265	MVXCSYADMNCAQF-UHFFFAOYSA-N	374.422	2.274	10	10	FECE	
C[C@@H]1C[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)CN1C(=O)OC(C)(C)C	1148586106	IWVFSGXTSVLTSZ-MNOVXSKESA-N	366.414	2.179	10	10	FECE	
COC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)C1CCOCC1	187796968	OGUMMXVYWXVMEQ-SFHVURJKSA-N	352.450	2.194	10	10	FECE	
CC(C)(C)OC(=O)N[C@@](C)(C(=O)O)c1ccc(N2CCOCC2)cc1	1951781215	CDUAVEHIMXNUKX-GOSISDBHSA-N	350.415	2.348	10	10	FECE	
CN[C@H](c1ccc(N(C)C)cc1)c1c(CNC(=O)OC(C)(C)C)nnn1C	2163141335	TUDVIBMBGRBAPT-MRXNPFEDSA-N	374.489	2.215	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)C3CC(C)(O)C3)cc2F)C[C@@H](C)O1	822613902	OGUWBYHMMHGZEJ-QHINFIMTSA-N	350.434	2.217	10	10	FECE	
CN(C(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cn[nH]c1	829455895	JDXVJMHSPHJMMY-LLVKDONJSA-N	360.418	2.134	10	10	FECE	
C[C@H]1C[C@@H](S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)CCO1	830056993	LPBXVRLITUTYFT-YOEHRIQHSA-N	370.540	2.227	10	10	FECE	
CN1CC[C@H](NC(=O)C(=O)Nc2ccc(N)cc2)[C@H]1c1ccc(Cl)cc1	841078096	GCZUGWSNCUSFSI-DLBZAZTESA-N	372.856	2.422	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)[C@H]1CCO[C@@H](C)C1	841568607	COYQTWQLCXNSGC-MPGHIAIKSA-N	354.516	2.479	10	10	FECE	
O=C(COc1ccc(O)cc1)NCc1ccc(N2CCC(O)CC2)c(F)c1	749405116	BUBVNNRSIJEGOU-UHFFFAOYSA-N	374.412	2.188	10	10	FECE	
COc1cc(Br)cc(CN2CCNC[C@H]2C(F)F)c1O	843124744	MIFIFVJCVSXPDQ-JTQLQIEISA-N	351.191	2.202	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@H](c4noc(C)n4)C3)C2)cc1	923185844	QDKAFMNZKGHOAN-LSDHHAIUSA-N	371.441	2.164	10	10	FECE	
CCNC(=O)COc1ccc(NC(=O)N2Cc3cccc(O)c3C2)cc1	929534682	OKTGXGVTNDICSB-UHFFFAOYSA-N	355.394	2.455	10	10	FECE	
COc1ccc(N2CCN(C(=O)Nc3ncn(C(C)(C)C)n3)CC2)cc1	753001159	QZQWUQSXJKAUBY-UHFFFAOYSA-N	358.446	2.396	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H](O)c3cccc(OC)c3)C2)cc1	855234302	WWTVDCCEUNHHPS-KXBFYZLASA-N	356.422	2.132	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3O)C2)cc1	855223620	BPZMLNDZNGEMPR-LBPRGKRZSA-N	357.366	2.318	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCC(NC(C)C)CC3)C2)cc1	854300916	DGRATKRNQLXWOU-KRWDZBQOSA-N	360.502	2.446	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H](C)c3nc(C)no3)C2)cc1	852449673	VTOPTWXSTUPSJP-JSGCOSHPSA-N	359.430	2.368	10	10	FECE	
CCS(=O)(=O)C1(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)CC1	856124051	UZQLAOSGMKYYBL-UHFFFAOYSA-N	361.467	2.186	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Cn3c(O)nc4ccccc43)C2)cc1	855231748	LVWJLVXDVJWJLG-AWEZNQCLSA-N	366.421	2.146	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)c1sc(S(N)(=O)=O)cc1C	769293911	VYKONZXJJWPOSM-UHFFFAOYSA-N	368.480	2.462	10	10	FECE	
C[C@@H](c1ccccc1)[C@H](NCc1ccc(N2CCOCC2)cc1)C(N)=O	930537498	BNCPRBPVRYKQHO-JXFKEZNVSA-N	353.466	2.270	10	10	FECE	
COC(=O)c1ccc(CC(=O)N(C)CCN(C)c2ccc(OC)cc2)cn1	869142471	AHNIWVGTRCLXDK-UHFFFAOYSA-N	371.437	2.014	10	10	FECE	
C[C@H](NS(=O)(=O)CCOC(C)(C)C)c1ccc(N2CCOCC2)cc1	866606258	TYOLDTGOINBXSR-HNNXBMFYSA-N	370.515	2.319	10	10	FECE	
CCC1(CC)CN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CC[S@@]1=O	775070079	HNZXYQNSGZFCKJ-DEOSSOPVSA-N	356.444	2.432	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCc2ccc(Cl)o2)cc1F	775224004	CQLHKGZRUGPMPH-UHFFFAOYSA-N	353.781	2.071	10	10	FECE	
O=C(COC(=O)c1cccc(C(=O)NC2CC2)c1)c1ccc(O)c(O)c1	784865385	ZGWKVCWOEPLQRY-UHFFFAOYSA-N	355.346	2.030	10	10	FECE	
CO[C@@H]1CCC[C@@H]1CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1312386742	GEVPDKKPIRRCMR-NZSAHSFTSA-N	362.518	2.470	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C1	2124534164	HLSZOYKJPASACG-RDBSUJKOSA-N	367.450	2.296	10	10	FECE	
CN(CCOCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)OCO2	1192284551	VUBPTJQZYRVUQU-UHFFFAOYSA-N	368.389	2.164	10	10	FECE	
COc1c(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cnn1C	1354578130	UYZMOQNXPABXQD-UHFFFAOYSA-N	361.357	2.456	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)Cc3cccc(OC)n3)C2)cc1	1469281014	VBKIFADBNBAEOR-HNNXBMFYSA-N	355.438	2.284	10	10	FECE	
CCN(C)[C@@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1	1471546307	AZLRKOYPFCSTHP-RTBURBONSA-N	361.534	2.091	10	10	FECE	
CCCN(CCS(=O)(=O)CC(=O)OC(C)(C)C)Cc1ccccc1O	1615684982	ANHCTFKSFHLLAK-UHFFFAOYSA-N	371.499	2.361	10	10	FECE	
C[C@@H]1C[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1O	1612698134	CZISDNRBOBIOEM-BPLDGKMQSA-N	355.442	2.227	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H](CC(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1	2135932819	AUCYDBBLZFGIAK-KGLIPLIRSA-N	367.450	2.419	10	10	FECE	
COCCNc1nc(CC(=O)NCc2ccc(N(C)C)c(F)c2)cs1	1627046379	TXLBNTBHJWFFBS-UHFFFAOYSA-N	366.462	2.265	10	10	FECE	
CCc1ccccc1N1C[C@@H](C(=O)NCc2cc(O)ccc2O)CC1=O	1558174958	VLPBOWJMUIESDW-HNNXBMFYSA-N	354.406	2.330	10	10	FECE	
CCCOc1ccc(CN2CCCC[C@H]2CCNS(C)(=O)=O)c(O)c1	159440215	WVBQKVGUPZMWTK-INIZCTEOSA-N	370.515	2.475	10	10	FECE	
O=C(N[C@@H]1COCC[C@H]1NCc1cccc(O)c1O)OCc1ccccc1	1943956162	WLUZXCRBMOQJMQ-IAGOWNOFSA-N	372.421	2.271	10	10	FECE	
[N-]=[N+]=NCCCN[C@@H](C(N)=O)c1ccc(I)cc1	311033115	XQXAUEAEDIFVTA-SNVBAGLBSA-N	359.171	2.108	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(F)c(F)c2O)[C@H](O)C1	2052714839	BQKXKWATKRYEFD-QWHCGFSZSA-N	358.385	2.130	10	10	FECE	
C[C@H](CCN(C)C(=O)OC(C)(C)C)NC(=O)c1cc(O)c(O)c(O)c1	2068623662	IQRQBZJVYODMQD-SNVBAGLBSA-N	354.403	2.179	10	10	FECE	
C[C@@H]1CCN(C(=O)COc2ccc(N)cc2)C[C@H]1NC(=O)OC(C)(C)C	2106776710	KWEZSRJUPDIAQN-CZUORRHYSA-N	363.458	2.409	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])C1	2225794567	GZSKHAOKXKJHQY-APNQJHFZSA-N	365.434	2.360	10	10	FECE	
COc1cccc(CNc2cnn(C)c2I)c1O	2254192329	XTJIMUFKYFMKFJ-UHFFFAOYSA-N	359.167	2.351	10	10	FECE	
COc1ccc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1OC	2297342151	KOHWFRDFDKIHAQ-UHFFFAOYSA-N	358.394	2.498	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12C[C@H](C1)[C@H](C(=O)N1CC[C@H](N=[N+]=[N-])C1)CO2	2342995651	LFBIKJNIGACIOC-APNQJHFZSA-N	365.434	2.218	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CC[C@H](CNc3ccccn3)C2)cc1	171645249	QCUZFCOARJLDGY-GOSISDBHSA-N	367.497	2.198	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCN1CCOC	111865378	CSUSLYYLEWWVEB-LJQANCHMSA-N	362.518	2.395	10	10	FECE	
COC[C@](C)(CCO)NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C	182828234	VNHKWZDGAHFYJJ-FQEVSTJZSA-N	355.438	2.483	10	10	FECE	
CCOC(=O)c1cc(S(=O)(=O)NCCc2ccc(N)cc2)ccc1F	193340847	UGMPDFNOYPKAKH-UHFFFAOYSA-N	366.414	2.106	10	10	FECE	
CN(C)c1ccc(CNC(=O)NCc2ccnc(O[C@H]3CCOC3)c2)cc1	132504970	ZZGJZUCOKHBKLE-SFHVURJKSA-N	370.453	2.315	10	10	FECE	
Cc1cc(C(=O)N2CCOC[C@@H]2c2nc[nH]n2)c(C)n1-c1ccccc1	284234942	HWIIZIMTAWJQKF-QGZVFWFLSA-N	351.410	2.426	10	10	FECE	
CCN(C1CCN(Cc2cc(Cl)c(F)cc2O)CC1)S(C)(=O)=O	295062626	ADDORGMLNSKTHM-UHFFFAOYSA-N	364.870	2.431	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N(C)C3C[C@@H]4CC[C@H](C3)N4)C2)cc1	818655268	JXWPYAATCPPDJY-VLFFPSDRSA-N	372.513	2.446	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NCCOC(C)(C)C	817859624	KXNDXSYCZCURNJ-OAHLLOKOSA-N	363.502	2.040	10	10	FECE	
Cc1cc(Br)cc(CN2CCC(N3CC[C@@H](O)C3)CC2)c1O	827700642	WCQCYTRFEWFWOY-MRXNPFEDSA-N	369.303	2.494	10	10	FECE	
C[C@H]1CCCN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)c2ccccc21	588442680	YMHRWLMUNBQZSH-BMSUMIBZSA-N	353.422	2.028	10	10	FECE	
COC(=O)[C@]1(C)CCCN1C(=O)/C=C\c1ccc(N2CCOCC2)cc1	588526261	WFFFZFUKDXPNHP-NSDNCLLMSA-N	358.438	2.091	10	10	FECE	
COC[C@](C)(O)CCNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	840381955	MEEOABMZYYMFBY-DNVCBOLYSA-N	351.491	2.079	10	10	FECE	
O=C(O)[C@@H](CN1CCCc2ccccc21)NCc1cc([N+](=O)[O-])ccc1O	756391095	XTMNPFFALCTDIZ-MRXNPFEDSA-N	371.393	2.296	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3nnc4ccccc4c3O)C2)cc1	855230325	GGBHWUHALWOHEO-CYBMUJFWSA-N	364.405	2.353	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@H]1CCO[C@H]1C1CC1	923205603	WHPJZKISGDFZBA-MJGOQNOKSA-N	360.454	2.069	10	10	FECE	
COc1ccc(N2CCN(C(=O)COC(=O)[C@H]3CCC3(C)C)CC2)cc1	850067316	DZKZZMDHKVNMRO-QGZVFWFLSA-N	360.454	2.323	10	10	FECE	
CC(C)n1ncc2cc(/C=C\C(=O)N3CCc4nc(F)ccc43)c(=O)[nH]c21	857898384	NZODWISKPRGYCD-UTCJRWHESA-N	367.384	2.442	10	10	FECE	
CCO[C@@H](C(=O)NCc1cc(Br)ccc1O)[C@@H]1CCOC1	868306778	BLGQCWDWYZMWEA-QMTHXVAHSA-N	358.232	2.213	10	10	FECE	
CN1CCCc2cc(CNC(=O)c3ccc(Cn4ccnn4)o3)ccc21	931152250	MTVXJULMZLJXJL-UHFFFAOYSA-N	351.410	2.232	10	10	FECE	
CC(C)(O)CCNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	773680561	BRVVHCKLEIGENS-UHFFFAOYSA-N	374.529	2.179	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)N[C@]23C[C@H]2COC32CCC2)N(C)C)cc1	899096358	SLQJJWHPBZEGRM-DJPFJPOOSA-N	372.513	2.366	10	10	FECE	
CCOc1nccnc1NCCN1CCN(c2ccc(OC)cc2)CC1	781385499	BMMZMEBMKLJSGT-UHFFFAOYSA-N	357.458	2.118	10	10	FECE	
C[C@H](Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O)N1CCOCC1	1510028537	NSEVLHFSXOWJBG-OAHLLOKOSA-N	371.485	2.218	10	10	FECE	
CCC(CC)(NC(=O)c1cc(C)n(-c2ccccn2)c1C)c1nn[nH]n1	1449016105	PCCTXZFZTUPTEO-UHFFFAOYSA-N	353.430	2.448	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCCc1ccc(OCC(F)(F)F)nc1	1296752802	WJSYKEVURBZIMO-UHFFFAOYSA-N	370.327	2.335	10	10	FECE	
CCOCc1nnc(N2CCOC[C@@H]2C)n1Cc1ccc(N(C)C)cc1C	1548194457	OLZOEPSBQLRYFP-INIZCTEOSA-N	373.501	2.462	10	10	FECE	
O=C(N[C@H]1CC(=O)N(c2ccccc2F)C1)N1Cc2cccc(O)c2C1	1564830140	BLQVMEYCZQKXSX-ZDUSSCGKSA-N	355.369	2.362	10	10	FECE	
COC(=O)c1ccc2c(c1)N(CCN1C(=O)c3ccccc3C1=O)CC2	1560219100	SNFLBFRIIDMEQX-UHFFFAOYSA-N	350.374	2.132	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H](NCc3cccc(O)c3O)CO2)C1	2137110759	JQIAHPSIECIJSG-AUUYWEPGSA-N	364.442	2.356	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)[C@H]2CC(=O)N(CC(C)C)C2)cc1	1585443827	IJEKDLLXVBRHJX-INIZCTEOSA-N	361.486	2.094	10	10	FECE	
CCc1nnc(N2C[C@@H]3OCO[C@@H]3C2)n1CCCSc1nccs1	1764969988	PRXDOXSMVNIJDB-TXEJJXNPSA-N	367.500	2.041	10	10	FECE	
Cc1cccc(CNC(=O)[C@H]2CO[C@H](C)CN2C(=O)OC(C)(C)C)c1O	2139759433	XNLGLBTVRJHRPL-UKRRQHHQSA-N	364.442	2.341	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H]2C[C@@H](O)CCN2C(=O)OC(C)(C)C)c1O	2139761495	HWDLFKXBADQTST-GJZGRUSLSA-N	364.442	2.077	10	10	FECE	
CN(C)c1ccc(CN2CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C2)cc1	1963325154	KDBMJAKPTDNMBU-IBGZPJMESA-N	363.458	2.306	10	10	FECE	
O=S1(=O)CCC[C@H]2CN(Cc3c(O)cccc3Br)C[C@H]21	2145074650	WCLONHVFXMWMQN-IINYFYTJSA-N	360.273	2.164	10	10	FECE	
COc1cc(Cl)cc(CNC[C@H](CO)NC(=O)OC(C)(C)C)c1O	2011517002	REQBIJNSXBGGPQ-GFCCVEGCSA-N	360.838	2.029	10	10	FECE	
CCN(C[C@@H](C)NC(=O)OC(C)(C)C)C(=O)c1cc(O)c(O)c(O)c1	2068618692	SRDQCPGMZVHTQD-SNVBAGLBSA-N	354.403	2.179	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CN(Cc2cc(N)ccc2O)[C@]2(CCOC2)C1	2106753388	IHLVJPCLZXYRMK-DNVCBOLYSA-N	363.458	2.233	10	10	FECE	
COC(=O)[C@@H](CCN[C@H](C)c1ccc(O)cc1O)NC(=O)OC(C)(C)C	2088543014	NWSIYYVOAJDLPZ-BXUZGUMPSA-N	368.430	2.205	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1C(=O)c1cccc(O)c1O	2278879237	OAEYUSODENVXAU-JTQLQIEISA-N	372.368	2.472	10	10	FECE	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NCCO)cc1	2294474433	VGWSTCQMALHWLF-UHFFFAOYSA-N	369.396	2.441	10	10	FECE	
COc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc3c(c2)OCO3)C1=O	2297315863	WPDNBFWVNZUUAA-UHFFFAOYSA-N	366.329	2.090	10	10	FECE	
C[C@@H](NC[C@@H](c1cnn(C)c1)N(C)C)c1ccc(N2CCOCC2)cc1	129906846	QIRVFSQELLJRJN-UZLBHIALSA-N	357.502	2.210	10	10	FECE	
CN(c1cccnn1)C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1	93272542	UVKKJQXSOSJERW-UHFFFAOYSA-N	367.497	2.414	10	10	FECE	
O=C(N[C@H]1CCc2nc[nH]c2C1)N(Cc1ccccc1O)C[C@H]1CCCO1	367861143	YBIHYYIUFMWPTB-JKSUJKDBSA-N	370.453	2.363	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCc2nnc(C3CC3)n2C1	366440097	ZMPCFRIINOVLSL-INIZCTEOSA-N	353.470	2.443	10	10	FECE	
CC(C)c1nn(C)cc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	280722284	KIEFHOCBZUNJDQ-UHFFFAOYSA-N	357.458	2.207	10	10	FECE	
Cc1ccc(CN(C)C(=O)[C@@H]2CSCCN2)c(O)c1Br	2381129313	IMZYUGIYZSZMPQ-NSHDSACASA-N	359.289	2.127	10	10	FECE	
CC(C)[C@@H](C(=O)NCc1cc(Br)ccc1O)N1CCCC1=O	804736209	NHNGJHATDLQDMV-HNNXBMFYSA-N	369.259	2.418	10	10	FECE	
CN(C)c1ccc(CNC(=O)NCCc2cnc3c(Cl)cnn3c2)cc1	296399139	QBXMJTBIEYIZHA-UHFFFAOYSA-N	372.860	2.491	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Nc3ccc4nc(C)nn4c3)C2)cc1	823158489	IGWKZBZANTWFQS-HNNXBMFYSA-N	366.425	2.447	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3nnc(-c4ccco4)o3)CC2)cc1F	900998852	PEIDCJUSXDBZGZ-UHFFFAOYSA-N	372.356	2.440	10	10	FECE	
C/C(=C\C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)CN1CCOCC1	901178349	VZMIUZBZGIIGMA-UMEYKSNOSA-N	374.481	2.178	10	10	FECE	
CCN(CC1CC1)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	732699573	BJRSNNIZKACJGQ-UHFFFAOYSA-N	360.502	2.259	10	10	FECE	
Cc1[nH]nc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c1C	837709915	WFNVRDKDKZVPDB-UHFFFAOYSA-N	350.369	2.071	10	10	FECE	
CCN(OC)C(=O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	842768089	HDUKXCWWXMLQEB-UHFFFAOYSA-N	350.419	2.085	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)N(CCO)C[C@@H]2C)cc1	842174913	OTNIQHCCJKCFCY-SJORKVTESA-N	362.518	2.129	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3C[C@@H](C)n4ncnc43)C2)cc1	852386409	FHGIUXGYDZYVCW-CPUCHLNUSA-N	370.457	2.118	10	10	FECE	
CCN(CC)c1ccc(CN2C(=O)N[C@@H](CCC3OCCO3)C2=O)cc1	924487060	ICOAVOWYGNEUEJ-INIZCTEOSA-N	361.442	2.106	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CN3CCCCCCC3=O)C2)cc1	855233411	YFELTKYLECEIBG-INIZCTEOSA-N	359.470	2.183	10	10	FECE	
COc1ccc(N2CCN(CCN[C@H](C)CSCCF)CC2)cc1	850428245	DTQCARANDUATJI-MRXNPFEDSA-N	355.523	2.498	10	10	FECE	
CCOc1ccc(CN(CC(=O)N2CCCC2)C[C@@H]2CCCO2)c(O)c1	769493488	TXRMTMNREVFSBK-SFHVURJKSA-N	362.470	2.394	10	10	FECE	
COc1cc(OC)c(S(=O)(=O)N2Cc3cccc(O)c3C2)c(OC)c1	867690583	JGIHSDNIIYTEIO-UHFFFAOYSA-N	365.407	2.123	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H]2[C@@H](C1)C2(F)F)c1ccc(N(C)C)cc1	1118631903	QASDJPXWJNEXCP-FATJJJSSSA-N	351.397	2.090	10	10	FECE	
Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)Cc2ccc(O)c(O)c2)cc1	1136498075	FKTVXNWUNBJOSC-OAHLLOKOSA-N	372.446	2.489	10	10	FECE	
NC(=O)Cn1cc(NCc2cc(Cl)cc(Br)c2O)cn1	708088047	GJNNFTMZHXFGML-UHFFFAOYSA-N	359.611	2.102	10	10	FECE	
CNC(=O)C[C@H](NC(=O)NCc1ccc(OC)cc1O)c1ccccc1	797547449	UBSUPZHWWCZEAG-INIZCTEOSA-N	357.410	2.077	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H](C(=O)O)N1Cc1ccccc1	688953988	JIXSWVYGYKFCIT-MSOLQXFVSA-N	368.433	2.468	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@H]32)cc1	1150493321	GKCYAFDYLOVYSJ-KGLIPLIRSA-N	364.427	2.031	10	10	FECE	
COc1ccc(N2CCN(CC[S@](=O)C(F)(F)F)CC2)cc1F	1307574053	LOBYOKKEFUVCAJ-QHCPKHFHSA-N	354.369	2.225	10	10	FECE	
C[C@@H](C(=O)N1CCC[C@H](N=[N+]=[N-])C1)N1CCN(C(=O)OC(C)(C)C)CC1	2124510825	BEHOLEKATHNMJH-KBPBESRZSA-N	366.466	2.229	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(CN=[N+]=[N-])CC1)[C@@H]1CCOC1	2124512072	JFWCOOGXPAKKPF-KGLIPLIRSA-N	367.450	2.465	10	10	FECE	
COCC1CN(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1	1345833664	RNIMQHHNZRAERO-UHFFFAOYSA-N	372.513	2.006	10	10	FECE	
C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	2132409581	GUWDHBXGLFNJBK-GHMZBOCLSA-N	366.414	2.179	10	10	FECE	
CCN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)[C@@H]1C[C@H]1C1CC1	1528916814	AOHOZUHSCPUUDG-JKSUJKDBSA-N	371.441	2.473	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)C(F)(F)n1cc(-c2ccccc2)nn1	1465954564	QVFCURMAIPDNLU-UHFFFAOYSA-N	360.320	2.222	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2C[C@]2(F)c2ccccc2)c1	1638608447	WNWPMTZEXRIESC-WBVHZDCISA-N	364.398	2.131	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1	1633595184	LFWWPJJGGUYWHS-UHFFFAOYSA-N	354.322	2.122	10	10	FECE	
COC(=O)[C@@H]1CCN1C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1	1597748537	RDIYZILFKKGDAY-SFHVURJKSA-N	354.406	2.223	10	10	FECE	
CCO[C@H]1C[C@@H](NC(=O)N2CCN(c3ccc(OC)cc3OC)CC2)C1	1683218695	CTGHLHNOVSJFQY-FZNQNYSPSA-N	363.458	2.103	10	10	FECE	
CC(=O)Nc1cccc2c1ccn2CC(=O)NCCc1ccc(O)c(O)c1	1860227944	OTSHVWRMJYNBBQ-UHFFFAOYSA-N	367.405	2.370	10	10	FECE	
Cc1cccc(CNC(=O)[C@](C)(NC(=O)OC(C)(C)C)C(C)(C)O)c1O	2139760703	BWABOZIKDIDMAY-IBGZPJMESA-N	366.458	2.371	10	10	FECE	
C[C@H](O)c1ccc(N2CC[C@H]3CS(=O)(=O)C[C@@H]32)cc1Br	2151273729	QGXPYACMRWRHLC-BHDSKKPTSA-N	360.273	2.126	10	10	FECE	
CNCc1ccc(N2CCS(=O)(=O)C(C)(C)C2)c(Br)c1	2170271156	DHQWBZCYQJAWLG-UHFFFAOYSA-N	361.305	2.182	10	10	FECE	
CCN(c1cc(Br)c(CN)cc1F)[C@H](C)CS(C)(=O)=O	2170426035	WURFZMLLVNEHTK-SECBINFHSA-N	367.284	2.306	10	10	FECE	
CN(Cc1cnn(C)n1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2	2172450282	WEKCREAWARTFKT-UHFFFAOYSA-N	372.473	2.327	10	10	FECE	
CCOC(=O)c1cnn(-c2ccc(O)c(O)c2)c1I	2070385334	HVVOPWXJVWCLCN-UHFFFAOYSA-N	374.134	2.065	10	10	FECE	
CN1C(=O)[C@@H](O)c2ccc(N3C[C@H]4C[C@@H](C3)N(Cc3ccccc3)C4)cc21	2187747254	FFNIPSMONPCRKM-MDKPJZGXSA-N	363.461	2.407	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2060618659	BTUNABXPIBFMTM-STQMWFEESA-N	353.423	2.171	10	10	FECE	
CO[C@H]1C[C@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2060615461	OMEKQWSPDDPEBG-RWMBFGLXSA-N	353.423	2.312	10	10	FECE	
CN1CCc2cc([C@@](C)(N)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)ccc21	2106856627	BQFGGWMKLHUQKP-FXAWDEMLSA-N	361.486	2.489	10	10	FECE	
CN1CCc2cc([C@H](O)[C@@]3(C(=O)O)C=CCN3C(=O)OC(C)(C)C)ccc21	2237168410	IIZSMAOSKAITSH-OXJNMPFZSA-N	374.437	2.343	10	10	FECE	
CSc1ncc(C=C2C(=O)N(C)C(=O)N(c3ccccc3)C2=O)cn1	2313613937	JQEAZIGBOQGANA-UHFFFAOYSA-N	354.391	2.207	10	10	FECE	
COc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C3	170190610	ZXQVFJLJUZLNHT-SNVBAGLBSA-N	354.362	2.191	10	10	FECE	
CNC(=O)c1cccnc1NCc1ccc(N2CCC(O)CC2)c(F)c1	301349321	JGSBYFLKEHPSCB-UHFFFAOYSA-N	358.417	2.154	10	10	FECE	
CC(C)(C)n1cc(CN2CCN(C(=O)c3cccc(O)c3O)CC2)cn1	193069619	XTWJWKDMRWOTKR-UHFFFAOYSA-N	358.442	2.007	10	10	FECE	
CCOc1ccc(O)c(CN(C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1	295058404	GJAONYVOFBLPRM-AWEZNQCLSA-N	354.447	2.108	10	10	FECE	
C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccn(-c2ccc(N)cc2)n1	2162526595	RAJPKWFDZCFETD-CYBMUJFWSA-N	373.457	2.345	10	10	FECE	
COC(C)(C)CS(=O)(=O)NCc1ccc(N2CCSCC2)cc1	809808828	KJVHNNSEDINJBZ-UHFFFAOYSA-N	358.529	2.084	10	10	FECE	
CO[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	292740025	HCXLZVYFCYGRGB-MAUKXSAKSA-N	350.434	2.484	10	10	FECE	
COc1ccc(N2CCC(NC(=O)[C@@H]3CCc4nc[nH]c4C3)CC2)cc1	825425989	RYMNZPRUASUSGP-CQSZACIVSA-N	354.454	2.308	10	10	FECE	
CC[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H](O)C(F)F	837651448	LRHGCPDYSDKRII-HUUCEWRRSA-N	373.469	2.444	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NC2CC(CC(N)=O)C2)cc1F	917617190	QRKCZDWKNZUNSZ-UHFFFAOYSA-N	350.438	2.125	10	10	FECE	
COCCOc1cncc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	855223137	BRSFRULTFGFLAV-MRXNPFEDSA-N	371.437	2.124	10	10	FECE	
OC[C@@]1(CN[C@@H]2CCc3cccc(O)c32)COCCN1Cc1ccccc1	850556037	QIVBDEZWRTWIQN-KNQAVFIVSA-N	368.477	2.233	10	10	FECE	
COC[C@H](CCNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)OC	852383662	HEFRUTVKQTYEFQ-YJBOKZPZSA-N	351.491	2.343	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cn(CCC(C)C)nn3)C2)cc1	855229548	AIIPVRADJHOMIL-OAHLLOKOSA-N	357.458	2.342	10	10	FECE	
C[C@@H]1C[C@@H]1c1noc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1	865909479	RJMRUSJNLDLNBI-YPMHNXCESA-N	360.389	2.099	10	10	FECE	
COCc1cc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ncn1	772373783	FKNKRRAKFWYZCS-CQSZACIVSA-N	371.441	2.342	10	10	FECE	
Cc1ccc(C(=O)NCc2ncn(Cc3cccc(F)c3)n2)c(O)c1O	781813427	PFZDIPIAXKNBQS-UHFFFAOYSA-N	356.357	2.115	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(N2C(=O)CCC2=O)cc1	1305592494	PRSKGUCNDPJOBV-WAPJZHGLSA-N	352.346	2.403	10	10	FECE	
CO[C@@](C)(CO)CNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C	1233974713	RBJBRVTWXZTLND-HXUWFJFHSA-N	359.470	2.333	10	10	FECE	
C[C@@H](NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(N2CCOCC2)cc1	1321902369	KCSTYRNEWWYPOU-WXSAJPJJSA-N	371.481	2.005	10	10	FECE	
CCOc1cccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1O	2116269135	LVUOWKGSCQDQJS-GJZGRUSLSA-N	366.458	2.251	10	10	FECE	
CN(Cc1ccccc1O)C(=O)c1cnc(CNC(=O)OC(C)(C)C)nc1	1631151956	YYAAUPDPJWYUFC-UHFFFAOYSA-N	372.425	2.479	10	10	FECE	
COC(=O)c1c(CNCC[C@@]2(O)CCCOC2)c2cc(F)ccc2n1C	1333720058	UIXVKBROQVLGOL-IBGZPJMESA-N	364.417	2.125	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)NC[C@@H](O)c2cnc[nH]2)CCCC1	1350418169	HMRYOIIWODYFDE-LJQANCHMSA-N	368.437	2.102	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)NN2C(=O)[C@@H](C)N(C)C2=O)c1C	1453745648	VCNICNPUNLQPHQ-CQSZACIVSA-N	354.410	2.330	10	10	FECE	
Cc1cn2nnc(C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)c2c(O)n1	1544885071	VGRQRSIPGMVNRQ-UHFFFAOYSA-N	368.441	2.255	10	10	FECE	
COc1ccc(CNC[C@H](C)N(C)C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1C	1482297402	OIFLUACNIASDIY-USXIJHARSA-N	356.470	2.467	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1ccc(CN2CCC(CO)CC2)cc1	1558174545	NPMZDPILYQRTNK-UHFFFAOYSA-N	370.449	2.232	10	10	FECE	
COCc1c(C(=O)NCc2ccc(O)cc2O)cnn1-c1ccccc1	1557084905	SIGYJXACTMKBGY-UHFFFAOYSA-N	353.378	2.360	10	10	FECE	
Cc1c(C(=O)NCc2cc(O)ccc2O)nnn1-c1ccc(F)c(F)c1	1633599188	REIQRCXDIHPBDQ-UHFFFAOYSA-N	360.320	2.195	10	10	FECE	
CC(C)(C)OC(=O)NCC1(CCNC(=O)Cc2ccc(O)c(O)c2)CC1	1644454332	NSRFEYHAASOALL-UHFFFAOYSA-N	364.442	2.452	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@H](CO)Cc2cnc[nH]2)c1C	1650645066	NINUOILVABCIMJ-KRWDZBQOSA-N	352.438	2.459	10	10	FECE	
C=C/C=C/CCNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	1676253311	FXIVAYFIYCMUTP-SNAWJCMRSA-N	358.486	2.249	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)N2CCN(C3CCC3)CC2)N(C)C)cc1	1687807456	SIJGERLMXHZYHL-FQEVSTJZSA-N	373.545	2.235	10	10	FECE	
COc1ccc([N+](=O)[O-])cc1/C=C1\C(=O)NN(c2ccc(C)cc2)C1=O	1191809	XAJDIYBQHCHMJW-XNTDXEJSSA-N	353.334	2.373	10	10	FECE	
CN1C(=O)COc2ccc([C@@H]3CN(Cc4ccc(N)cc4)C(=O)O3)cc21	585894315	ZEFMXOJJYAKNBR-KRWDZBQOSA-N	353.378	2.318	10	10	FECE	
Cn1ncc(I)c1CNCc1cc(F)ccc1O	877776764	ZBNKMDAPOBHYJN-UHFFFAOYSA-N	361.158	2.159	10	10	FECE	
O=C1C(=Cc2ccc(F)c(F)c2)SC(=S)N1CCN1CCOCC1	2040496896	WWFOHEDQWJWXFR-UHFFFAOYSA-N	370.446	2.498	10	10	FECE	
Nc1cc2c(cc1N1C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C1)NC(=O)CO2	705914722	SJCBOQSUKQKMPL-IYBDPMFKSA-N	364.449	2.168	10	10	FECE	
CC(C)(C)OC(=O)NCC1(CNCc2ccc(F)c(F)c2O)COC1	2056737713	KLKOWZIZOSFNLD-UHFFFAOYSA-N	358.385	2.301	10	10	FECE	
NCC1(NC(=O)CCc2ccc(N)cc2)CCN(Cc2ccccc2)CC1	2191889619	AZMXAFMQJYYDTF-UHFFFAOYSA-N	366.509	2.311	10	10	FECE	
C[C@@H](N=c1nc(CNC(=O)OC(C)(C)C)[nH][nH]1)c1ccc(F)cc1O	2063192114	CXGMZRQKAVTOMZ-SECBINFHSA-N	351.382	2.269	10	10	FECE	
COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCOc1ccc(N)cc1	2106740367	SMFBZZLZYYXGIU-INIZCTEOSA-N	365.474	2.215	10	10	FECE	
[N-]=[N+]=NCCCN[C@]1(C(=O)O)CN(Cc2ccccc2)[C@@]2(CCOC2)C1	2100065857	CHBOXXAXCUYFQH-ROUUACIJSA-N	359.430	2.165	10	10	FECE	
CC(C)(C)OC(=O)NC12COC(C(=O)N[C@H]3CCC[C@@H]3N=[N+]=[N-])(C1)C2	2254811956	TZJLHVHCNYMGLN-YXEONTRPSA-N	351.407	2.160	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N1CC[C@H](CN2CCCC2)C1	2297621392	JJUNMFOOIYEPKW-HXUWFJFHSA-N	369.509	2.481	10	10	FECE	
CCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C)C1=O	2314415143	YWMMSOKUNQWPAU-UHFFFAOYSA-N	360.464	2.266	10	10	FECE	
CCOC(=O)N1CCN(N=Nc2ccc(N3CCN(C)CC3)cc2)CC1	2330217379	YFGWFYAHRWABGH-UHFFFAOYSA-N	360.462	2.211	10	10	FECE	
O=C(O)/C=C\c1ccc(O)c(O)c1/C(=C\c1ccc(O)c(O)c1)C(=O)O	221897187	OAHRXWZJURTMHG-TZFLZTJBSA-N	358.302	2.232	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)c1cc(N)c([N+](=O)[O-])c(CO)c1	804333616	NLFBBQCLNZXASH-UHFFFAOYSA-N	372.425	2.142	10	10	FECE	
CN1CCN(c2ccc(CNC[C@@H]3CCC4(CCOCC4)[C@@H]3O)cc2)CC1	801735217	NQYNMZSQXDWKOC-PZJWPPBQSA-N	373.541	2.096	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN[C@@H]3CC4CCC3CC4)CC2)cc1	814653489	YJZZQTKAIUKFEP-KLXIGZAZSA-N	373.541	2.346	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1	822001795	YLNJCRIXDSYHTL-HIFRSBDPSA-N	354.472	2.280	10	10	FECE	
O=S(=O)(c1cscn1)N(Cc1ccccc1O)C[C@H]1CCCO1	827183358	FQKDRPVPMFFMEC-CYBMUJFWSA-N	354.453	2.219	10	10	FECE	
CC(=O)c1cc(F)cc(CN[C@@H](c2cnn(C)c2)C2(CO)CCC2)c1O	821288422	QXQGCCGKKBWGJI-SFHVURJKSA-N	361.417	2.461	10	10	FECE	
Cc1cc(CCNC(=O)N[C@H]2CCN(C)C2=O)c(C)n1-c1ccccc1	738504573	ATJPOTNYYLFAOU-SFHVURJKSA-N	354.454	2.167	10	10	FECE	
CCOc1ccc(CN2CCN(C(=O)c3cc(C)[nH]n3)C[C@H]2C)c(O)c1	835073706	NTHGENLFKSHUAQ-CQSZACIVSA-N	358.442	2.169	10	10	FECE	
CN=[S@@](C)(=O)CCNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C	912780068	OVVRZODPOSVYAL-VWLOTQADSA-N	361.467	2.364	10	10	FECE	
Cc1cc(C(=O)CN2CCN3C[C@H](O)C[C@H]3C2)c(C)n1-c1ccccc1	847041868	YUJYMQQFNGVEOH-RBUKOAKNSA-N	353.466	2.028	10	10	FECE	
CNC(=O)C1(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)CCOCC1	925225549	HBGIOVMBNRXPJE-UHFFFAOYSA-N	369.465	2.428	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNCc3cccc(O)c3O)O2)C1	690598629	CBGSIUZBEYDHEM-AWEZNQCLSA-N	364.442	2.356	10	10	FECE	
COC(=O)[C@@](C)(CCF)NC(=O)c1csc(Cc2ccc(N)cc2)n1	851645321	FDWVFQZYKTWXAY-QGZVFWFLSA-N	365.430	2.337	10	10	FECE	
C[C@@H]1[C@H](C(F)(F)F)OCCN1CC(=O)NCc1ccc(N(C)C)cc1	852600733	DGRIVHLPJYTFAL-MLGOLLRUSA-N	359.392	2.020	10	10	FECE	
COC(=O)c1cc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cn1C	854298932	KKTYXYJYFVITEP-CYBMUJFWSA-N	372.425	2.221	10	10	FECE	
C[C@@H](NC(=O)N[C@H]1CCNC12CCC2)c1ccc(N2CCOCC2)cc1	861566360	USIJTWVJVQDMCH-QAPCUYQASA-N	358.486	2.168	10	10	FECE	
Cc1nc(NCc2ccc(N3CCC(CO)CC3)cc2)nc(N(C)C)n1	764391009	COOHETSGGHWARH-UHFFFAOYSA-N	356.474	2.067	10	10	FECE	
COCC(C)(C)N1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1	898010628	DKILHEUWKWFACV-UHFFFAOYSA-N	364.467	2.495	10	10	FECE	
COC[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@H]1CCCOC1	899650832	HRDGPHBBXSHIPE-JQWIXIFHSA-N	351.424	2.484	10	10	FECE	
O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NCc1cc(O)ccc1O	1153879316	JRCOQEYSRHOHJV-UHFFFAOYSA-N	369.204	2.451	10	10	FECE	
COC(=O)[C@@H](CC(=O)N1CCC[C@H](N=[N+]=[N-])CC1)NC(=O)OC(C)(C)C	2124531692	FRNAAFCWWYVCPA-NWDGAFQWSA-N	369.422	2.134	10	10	FECE	
C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cc(O)c(O)c(O)c1	2132409150	CEVMISPWWGTINB-WDEREUQCSA-N	366.414	2.179	10	10	FECE	
CCCC(=O)NC[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C	1345956164	OVMIKYMYOJGNPN-TZMCWYRMSA-N	359.430	2.473	10	10	FECE	
COc1ccc([C@@H](C)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c(O)c1	2133179975	PYRTXVLRTVWULM-PVUWLOKVSA-N	366.458	2.422	10	10	FECE	
COc1ccc(CN[C@@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)c(O)c1	2133756496	XCMDJUSIXPDXDO-IBGZPJMESA-N	366.458	2.252	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1	1442882049	UAFFDRXQEJVHNR-ZDUSSCGKSA-N	350.415	2.014	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ncnc(O)c1Br	1297562379	JMFSBOXBCXMFTL-UHFFFAOYSA-N	373.203	2.066	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1	1452435882	HRAVEJZGDLNAMM-GJZGRUSLSA-N	360.414	2.289	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCCCC(=O)NC1CC1	1469571947	OQBSYFQNFFNOHF-UHFFFAOYSA-N	358.486	2.487	10	10	FECE	
CC(C)(CO)c1nc2ccc(C(=O)NCCc3ccc(O)c(O)c3)cc2[nH]1	1465981248	GIENLCFFASBAHU-UHFFFAOYSA-N	369.421	2.217	10	10	FECE	
CN(C)c1ccc(CNC(=O)[C@@]2(C(=O)OC(C)(C)C)CCCO2)cc1F	1544308529	MFFJARYJPRXBAM-LJQANCHMSA-N	366.433	2.399	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCC1	1707305176	RYHCFPVITIKEMU-QGZVFWFLSA-N	368.485	2.252	10	10	FECE	
CCN(Cc1nc(O)c2ccccc2n1)C(=O)Cc1ccc(O)c(O)c1	1624589467	HTPPEEDHJUMBLH-UHFFFAOYSA-N	353.378	2.338	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCOC[C@H]1OC	1498676082	WWJBCYRARFHPEO-DOTOQJQBSA-N	360.458	2.234	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(C)nc(O)c1	1631534417	ZBUALEBMDPPCMN-UHFFFAOYSA-N	364.785	2.270	10	10	FECE	
Cc1cc(CCNC(=O)N[C@@H]2COCC[C@H]2O)c(C)n1-c1ccccc1	1565162167	NWJFYDZROXIWBB-RTBURBONSA-N	357.454	2.086	10	10	FECE	
COC[C@@H](C)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1O	1730456921	XGKMAPZQGMMGNH-HOCLYGCPSA-N	360.458	2.407	10	10	FECE	
Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)Cc1ccc(O)c(O)c1	1584443217	LTUSCTDXAWHSML-OAHLLOKOSA-N	372.446	2.489	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1CCCCN1CCC[C@H]1CO	1751881143	JAMUPXBRPCMETD-SFHVURJKSA-N	373.501	2.165	10	10	FECE	
CC(C)OCc1nc([C@H](C)NC(=O)NCc2c(O)cccc2F)no1	1673254673	GEGTUPVEEBDKMG-JTQLQIEISA-N	352.366	2.400	10	10	FECE	
CC(C)(C)OC(=O)NCCc1n[nH]c(=N[C@@H]2CCc3cccc(O)c32)o1	2138814044	XQCAHSUIBRJGMH-GFCCVEGCSA-N	360.414	2.364	10	10	FECE	
COCCOC1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CC1	1772830220	BIGOAXFGUNRUGW-XQRVVYSFSA-N	364.398	2.413	10	10	FECE	
COCc1cc(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)ncn1	156124895	ICTAGFFRQQEPAD-QPJJXVBHSA-N	354.410	2.112	10	10	FECE	
CO[C@H]1C[C@@H](C(=O)O)N(Cc2cc(Cl)cc(Br)c2O)C1	1964721763	XQQVVBGYUXAFIN-ONGXEEELSA-N	364.623	2.482	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@@H](CNCc2cccc(O)c2O)CO1	2041186369	DBLVIGQVKQGZIR-GXTWGEPZSA-N	352.431	2.117	10	10	FECE	
C[C@H](CCNC(=O)COc1ccc(N)cc1)N(C)C(=O)OC(C)(C)C	2044226439	JFBVGVMNSVCSTC-CYBMUJFWSA-N	351.447	2.409	10	10	FECE	
CN(CCOCCNC(=O)OC(C)(C)C)CCOc1ccc(N)cc1	2044616556	RKOLXBQVUUZKSE-UHFFFAOYSA-N	353.463	2.121	10	10	FECE	
CC(C)(C)OC(=O)N[C@@](C)(C(=O)N1CCC[C@@H]1CN=[N+]=[N-])C(C)(C)O	2060639280	GHQBITACZVQVEO-BZNIZROVSA-N	355.439	2.342	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(C)C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060633818	RUESYGCSIFROLH-HWWQOWPSSA-N	353.423	2.218	10	10	FECE	
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2060636049	STGKYSVIJSTVAZ-NWDGAFQWSA-N	353.423	2.218	10	10	FECE	
C[C@H](NC(=O)CC[C@H](O)CNC(=O)OC(C)(C)C)c1ccccc1O	2072479540	KFNGUCSTGBVWHH-STQMWFEESA-N	352.431	2.235	10	10	FECE	
CS(=O)(=O)[C@@H](CNCc1cc(Br)cc(F)c1O)C1CC1	2232826407	HIKDZXHVKTWYSV-LBPRGKRZSA-N	366.252	2.207	10	10	FECE	
COc1ccc(N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)c(C(=O)O)c1	2235948718	VGNOQCWRUINLEO-VQTJNVASSA-N	368.433	2.483	10	10	FECE	
CC(C)(C)OC(=O)NCc1cn(CCN[C@H]2CCc3cccc(O)c32)nn1	2287094049	LLXFCFONSPNQSL-HNNXBMFYSA-N	373.457	2.286	10	10	FECE	
CCN1C(=O)NC(=O)C(=Cc2c[nH]c3ccc(Br)cc23)C1=O	2297358616	PKCSSTUWGJHRHQ-UHFFFAOYSA-N	362.183	2.412	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@](N)(c2ccc3c(c2)CCN3C)C1	2344478339	DSBVLUHPJILECB-JXFKEZNVSA-N	361.486	2.489	10	10	FECE	
CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C/NCC(=O)O	101127603	KPFGEQSOUJPLIT-IZZDOVSWSA-N	352.188	2.038	10	10	FECE	
Cc1nc([C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)c2ccccc2)n[nH]1	181028004	ZIFUOBCBHDYTMJ-LNENJAERSA-N	350.378	2.443	10	10	FECE	
COc1cc(Cl)c(NC(=S)N(C(C)=O)c2ccc(N)cc2)nn1	243826881	QXTXQCKFSNZALR-UHFFFAOYSA-N	351.819	2.471	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@]2(CCCOC2)C1	376628865	UGSZVUIATGSNEH-HXUWFJFHSA-N	359.470	2.235	10	10	FECE	
Cc1csc([C@H](C)NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)n1	804503439	DJGDVOQTUZMURA-AWEZNQCLSA-N	370.478	2.321	10	10	FECE	
C[C@H](NC(=O)C(=O)NCCCc1ccccn1)c1ccc(N(C)C)cc1	807108106	RJABXEZJVZOPKL-HNNXBMFYSA-N	354.454	2.074	10	10	FECE	
CCn1ncc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1	293060008	AQWLKNOQFMBAOU-GFCCVEGCSA-N	365.384	2.298	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C1(S(C)(=O)=O)CC1	807481662	MMHRDYPRNDBTEV-CYBMUJFWSA-N	354.472	2.280	10	10	FECE	
COCc1ccccc1CS(=O)(=O)NCc1ccc(OC)cc1O	805085502	JZTYCLFGZJKHIF-UHFFFAOYSA-N	351.424	2.167	10	10	FECE	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NCc1cc(Br)ccc1O	804733495	QUDZGRXHZSFADU-MFKMUULPSA-N	358.232	2.355	10	10	FECE	
COc1ccnc(N2CCN(Cc3cc(Cl)c(F)cc3O)CC2)n1	816484419	BNLFQTHSCBKPHK-UHFFFAOYSA-N	352.797	2.306	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)Cn3cnc4c3CCCC4)C2)cc1	819586375	OHMIQRFYZAFXRZ-MRXNPFEDSA-N	368.481	2.413	10	10	FECE	
COc1ccc(N2CCN(C(=O)COC(=O)[C@@]3(C)C[C@@H]4C[C@@H]4C3)CC2)cc1	815361983	XQOUFHMNIPSTEF-VPTLXERWSA-N	372.465	2.323	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3cc(F)ccn3)cc2)C1	824824565	KFOGZWLOPTUDLL-AWEZNQCLSA-N	371.416	2.244	10	10	FECE	
COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cccc(Cl)c1O	821199104	UEYPDRXZGHHFMF-UHFFFAOYSA-N	357.771	2.339	10	10	FECE	
C/C=C\[C@H](O)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	900250256	WEJNLTHZYCMNFW-GWQWAINWSA-N	358.360	2.095	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CCS(=O)(=O)[C@H]3CCC[C@@H]32)c1O	832462232	BMLIUQSJBQBKHJ-GJZGRUSLSA-N	357.859	2.400	10	10	FECE	
COc1ccc(N(C)CCN(C)S(=O)(=O)N2CCC[C@H](C)C2)cc1	845986954	CYWIYSQDPAQALU-HNNXBMFYSA-N	355.504	2.040	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N[C@H]2CCc3nnn(C)c3C2)cc1F	917616923	JWQBPDXXGUQLTR-AWEZNQCLSA-N	374.464	2.157	10	10	FECE	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NCc1cc(Br)ccc1O	854442203	KGOYKOSLYVMJCN-VXGBXAGGSA-N	350.216	2.308	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCC(OC(C)=O)CC3)C2)cc1	854298723	AMCURRFBQDCSDE-HNNXBMFYSA-N	361.442	2.011	10	10	FECE	
Cc1ccc(O)c(CNC(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)c1	858498866	WSYBUMKDJFLSMQ-AWEZNQCLSA-N	360.435	2.071	10	10	FECE	
COc1cc(N2CCN(CCO[C@H]3CC3(F)F)CC2)cc(OC)c1OC	851936695	UORMBZZGPPBBAN-INIZCTEOSA-N	372.412	2.259	10	10	FECE	
CSCC[C@H](NC(=O)c1ccco1)C(=O)NCc1c(O)cccc1F	928707805	BUODKXOFKZSCGN-ZDUSSCGKSA-N	366.414	2.292	10	10	FECE	
CCO[C@@H](C(=O)NCc1cccc(Br)c1O)[C@H]1CCOC1	867831420	YJXRBXPJPVGWLH-SMDDNHRTSA-N	358.232	2.213	10	10	FECE	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCO[C@@H](CC(N)=O)C3)c2C)cc1	860016504	MEFDPEGFACLODI-SFHVURJKSA-N	369.465	2.161	10	10	FECE	
CCn1nc(C)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	861704468	DZKDKCSPOCKZTD-UHFFFAOYSA-N	369.469	2.407	10	10	FECE	
O=C(CC1COC1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	769687120	ADZWHEWJDQYBKR-UHFFFAOYSA-N	358.360	2.195	10	10	FECE	
COc1cccc(CNC(=O)c2c[nH]ccc2=NC(=O)OC(C)(C)C)c1O	780935266	HSRQRJMKAWLKPO-UHFFFAOYSA-N	373.409	2.495	10	10	FECE	
COc1cc(Br)cc(CN2C[C@H](O)CC(F)(F)C2)c1O	787437744	CCBVTRXDTCJZMS-SNVBAGLBSA-N	352.175	2.365	10	10	FECE	
C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCN1CC(C)(C)O	897499472	MNECKVITQXBABZ-LLVKDONJSA-N	364.467	2.230	10	10	FECE	
COC(=O)c1c(CN2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)c2cc(F)ccc2n1C	894899765	ARRVGCADIPUKPQ-LBTBCDHLSA-N	356.397	2.489	10	10	FECE	
CC(C)[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	1136744416	RLADMGZOXQDOBA-CYBMUJFWSA-N	352.431	2.306	10	10	FECE	
COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1ccc(O)c(OC)c1	797820423	XFPMUBAOFKUHAR-UHFFFAOYSA-N	355.343	2.127	10	10	FECE	
O=S1(=O)CCC[C@@]12CCN(Cc1cc(Br)ccc1O)C2	708631931	MCEJWQUDYDLBMR-AWEZNQCLSA-N	360.273	2.308	10	10	FECE	
CC(C)N1CCC[C@H](C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1	1153443505	LDFMMJSGZNPBET-IBGZPJMESA-N	358.530	2.175	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCc3ccnc(N)c3C2)c([N+](=O)[O-])c1	1307230707	VSTWZXDAUZAMTR-HYXAFXHYSA-N	354.366	2.321	10	10	FECE	
COc1ccc(N(C)CCN(C)CC(=O)NC(=O)Nc2ccccc2)cc1	1171730815	ZEBCGJZNDZEOFP-UHFFFAOYSA-N	370.453	2.412	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@@H]21	2118179469	WCEBHCSHRHGHNP-MELADBBJSA-N	362.426	2.473	10	10	FECE	
NC[C@H]1CN(c2ncncc2I)Cc2ccccc21	2119631742	KBHBZVFGDCSUJV-NSHDSACASA-N	366.206	2.144	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@]3(O)CN(C(=O)OC(C)(C)C)C3(C)C)ccc21	2132342292	BUGNBWYEOMTUTM-OXQOHEQNSA-N	361.486	2.439	10	10	FECE	
O=C(CCNC(=O)c1cc2cc(O)c(O)cc2s1)Nc1cccnc1	1442699620	CEFQPCYIJMITEJ-UHFFFAOYSA-N	357.391	2.466	10	10	FECE	
CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)c1ccccc1O	1471194430	KFBYFJMFFZOIQZ-XJKSGUPXSA-N	358.442	2.066	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2nn(CC3CC3)c3c2COCC3)cc1	1548340415	SIGLYAYPJZKNOV-UHFFFAOYSA-N	354.454	2.362	10	10	FECE	
Cc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)c(C)n1NC(N)=O	1622663957	AWLVALKTGMZFCC-UHFFFAOYSA-N	356.426	2.242	10	10	FECE	
Cc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(O)c1O	1558123494	HDFOJEYEGAZMMI-UHFFFAOYSA-N	355.438	2.088	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)[C@H]3CC[C@@H](C(=O)OC)C3)CC2)cc1	1566563378	ZKVVBGVWCWWTGM-JKSUJKDBSA-N	360.454	2.323	10	10	FECE	
COc1cccc(CNC(=O)c2ccc(Br)nc2O)c1O	1566374801	UXUADUPSWXTYHS-UHFFFAOYSA-N	353.172	2.194	10	10	FECE	
Cc1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)c(O)c1O	1640920859	FRPVDYGRUVPXRK-OLZOCXBDSA-N	368.405	2.484	10	10	FECE	
COC(=O)C1(O)CN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1	1643295459	GYEFZEVBTJIVOA-UHFFFAOYSA-N	356.422	2.071	10	10	FECE	
CS(=O)(=O)Nc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1	23398014	JUFQDIWBSMWMLT-VAWYXSNFSA-N	352.437	2.471	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NCc3ccc(O)c(O)c3O)[C@H]2C1	2033980727	BZYBLNFFRRKCGE-RWMBFGLXSA-N	350.415	2.148	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNCc2cccc(Cl)c2O)C1	702821627	ZFQXONUYYLIPAX-OCCSQVGLSA-N	356.850	2.363	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cccc(O)c1O)C(F)(F)F	848323740	FBFIQOGGPSJYCQ-SNVBAGLBSA-N	364.320	2.283	10	10	FECE	
CN(C)c1ccc([C@H](CN)N2CCC(CNC(=O)C(F)(F)F)CC2)cc1	2194864027	PEOHFJMMIMFUFO-INIZCTEOSA-N	372.435	2.143	10	10	FECE	
COc1cccc(O)c1[C@@H](C(=O)O)N(CCCO)C(=O)OC(C)(C)C	2042580621	FDPHGLPMRJBHJQ-AWEZNQCLSA-N	355.387	2.146	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)C(=O)C[C@H]2C[C@H](N)C2)co1	2049781270	SRMWIZRTVBBQFF-GMTAPVOTSA-N	351.403	2.140	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2060619943	TULIMJCKEISFFA-RYUDHWBXSA-N	353.423	2.075	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)N1CC[C@H](N=[N+]=[N-])C1	2060635835	PTEQPNRGWQMRHU-RWMBFGLXSA-N	353.423	2.170	10	10	FECE	
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2060622038	UVKOCAQAEBXMMC-AGIUHOORSA-N	355.439	2.464	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOCC[C@H]1C(=O)N1CC[C@@H](N=[N+]=[N-])C1	2060636832	CASGADLZDSKRAS-JHJVBQTASA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)NC1CC(O)(C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C1	2064276700	KBLIFNAAPNGAMR-FZWSLVFFSA-N	353.423	2.096	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)CCc2ccc(N)cc2)C1	2106718888	BJMMWMOONBIMTP-BXUZGUMPSA-N	357.376	2.117	10	10	FECE	
COc1ccc(O)c([C@H](C)NCCC2(O)CN(C(=O)OC(C)(C)C)C2)c1	2087529831	GODWYAYUBBKFBO-ZDUSSCGKSA-N	366.458	2.423	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N(CC(=O)N(C)C)Cc1ccccc1	2095919358	YZRRQKTXZYCJQT-HNNXBMFYSA-N	354.454	2.186	10	10	FECE	
COc1ccc(Br)c(CN2CC(F)(F)C[C@@H]2CN)c1O	2296425538	WCMATNUGTNRKQO-MRVPVSSYSA-N	351.191	2.332	10	10	FECE	
CO[C@H](CCNC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(N)cc1	2318726227	UAWLRLURKVOPLF-OAHLLOKOSA-N	351.447	2.157	10	10	FECE	
COc1cccc(CN[C@]23CO[C@H](C2)[C@H](NC(=O)OC(C)(C)C)C3)c1O	2334241218	DUMNAMBMAMBRAL-MUKKUYKPSA-N	364.442	2.315	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NCc3ccc(O)c(O)c3)C[C@@H]21	2343109071	URGWYXSSYMJPHY-GRDNDAEWSA-N	364.442	2.354	10	10	FECE	
C[C@H](C(F)(F)F)S(=O)(=O)NCc1ccc(N2CCOCC2)c(F)c1	184232726	RRJLJNCTHTYEKK-SNVBAGLBSA-N	370.368	2.033	10	10	FECE	
O=C(COCC1CC1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	122624906	JARSRWOMWCROSJ-UHFFFAOYSA-N	357.498	2.261	10	10	FECE	
COC(=O)Cn1ncc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1C	194020211	ZNUIRZYXTZUATP-UHFFFAOYSA-N	369.425	2.062	10	10	FECE	
COC(=O)c1no[nH]c1=NC(=O)CCn1c2c(c3ccccc31)CCCC2	1850434281	DRVDVCJSCHOCSL-UHFFFAOYSA-N	368.393	2.140	10	10	FECE	
Cn1nc(Br)cc1S(=O)(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2155559085	UZAIZQRJFHKXRV-QMMMGPOBSA-N	363.241	2.036	10	10	FECE	
Cc1c(NC(=O)c2cccc(O)c2O)cccc1N1C(=O)N[C@H](C)C1=O	811538596	XTPNYSDXGJNIGU-SNVBAGLBSA-N	355.350	2.103	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cc(F)cc(N(C)C)c2)cc1	845793121	PBURHGAGFCEMQZ-UHFFFAOYSA-N	358.417	2.213	10	10	FECE	
COc1cc(Br)cc([C@@H](C)N[C@@H](C)Cn2cncn2)c1O	848525271	LCASKVFTUQNQHX-VHSXEESVSA-N	355.236	2.494	10	10	FECE	
CN(C)c1ccc(CNC(=O)NCCCNC(=O)c2ccccc2)cc1	749919787	PPYVDSMMYFRSFQ-UHFFFAOYSA-N	354.454	2.372	10	10	FECE	
COc1c([N+](=O)[O-])ccc([C@H]2NC3(CC3)C(=O)N2c2ccccc2)c1O	840828141	JYQSULWZPLHCQZ-INIZCTEOSA-N	355.350	2.477	10	10	FECE	
Cc1cccc(CN2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)c1O	853249136	NKBUGWSAJCKACX-MRXNPFEDSA-N	355.486	2.213	10	10	FECE	
COC(=O)C[C@@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)C1CC1	852603467	LGNXPOSTBSDRRR-KRWDZBQOSA-N	359.470	2.458	10	10	FECE	
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)NCCc2ccc(N)cc2)C1	851662131	AECFANXVAIEYBD-OLZOCXBDSA-N	373.375	2.194	10	10	FECE	
CO[C@@H]1CCN(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1	769058815	MKXQMCNPDKVIFI-HXUWFJFHSA-N	372.513	2.149	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CC(c4nc5ccccc5[nH]4)C3)cc2N1	771170787	KPOWGMCWKOBGGW-UHFFFAOYSA-N	365.349	2.406	10	10	FECE	
Cc1cc(CC(=O)N2C[C@@H](CO)[C@@H](CCO)C2)c(C)n1-c1ccccc1	1124105612	NWSVITATSYCRMB-HKUYNNGSSA-N	356.466	2.086	10	10	FECE	
CN(C)c1cccc(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)c1	788041352	RDAPJQJZVBCRNZ-UHFFFAOYSA-N	351.447	2.436	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O	899141288	BQUNPRFQUANBED-GEDWGEIESA-N	351.449	2.438	10	10	FECE	
Cc1cc(Br)c(O)c(CN(C)C[C@@H]2CCS(=O)(=O)C2)c1	781906925	ABMKBQTZJDXXGK-NSHDSACASA-N	362.289	2.330	10	10	FECE	
CNC(=O)[C@@H]1CCC[C@H]1NCc1c(C(=O)OC)n(C)c2ccc(F)cc12	894362296	SDHAFKOQLHZYBB-IUODEOHRSA-N	361.417	2.108	10	10	FECE	
Cc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1C(=O)N1CCOCC1	787643695	AMCTYKLIDSHFAL-UHFFFAOYSA-N	370.405	2.439	10	10	FECE	
CN(Cc1cc(Br)cc(F)c1O)[C@@H]1CCN2CCO[C@H]1C2	894868550	BZBKLFWOFKGYGX-KGLIPLIRSA-N	359.239	2.199	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cn(C)nc2C(C)C)c1	796790859	PSRHLDUWXXDGJY-LLVKDONJSA-N	360.414	2.074	10	10	FECE	
CC(C)n1nc(C(=O)NCc2cc(O)ccc2O)c2ccccc2c1=O	1303223384	NHKOCPDOTJNOIP-UHFFFAOYSA-N	353.378	2.319	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2124540705	KPEPYTUSMBPXKQ-DYVFJYSZSA-N	367.450	2.440	10	10	FECE	
COc1cccc(CN[C@@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1O	2121675350	UXIUQHKBYXYYOM-SQWLQELKSA-N	364.442	2.125	10	10	FECE	
Oc1ccc(CNC[C@]23CN(Cc4ccccc4)C[C@H]2CCO3)cc1O	2118582224	PSLOIMFQGUFBKA-NQIIRXRSSA-N	354.450	2.479	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)C1(CNC(=O)OC(C)(C)C)COC1	2131363717	GWDMWPAWKDILAI-CYBMUJFWSA-N	364.442	2.453	10	10	FECE	
CC(C)(C)OC(=O)NCC1(C(=O)N2CCCC[C@H](CN=[N+]=[N-])C2)COC1	2131492409	MMQQWEYRPVSVOH-CYBMUJFWSA-N	367.450	2.467	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)Cc1nc(C2CCOCC2)n[nH]1	1348114067	HVIMBAUSOCXCFL-UHFFFAOYSA-N	358.442	2.386	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc(N)cc2)[C@@H]2COC[C@@H]21	2132572909	XCVXMCMLWISLHA-CABCVRRESA-N	362.430	2.121	10	10	FECE	
CC1(C)OC[C@@H](NCc2cc(Cl)cc(Br)c2O)[C@@H]1O	1910985253	JPRPVONNBZWNOR-PWSUYJOCSA-N	350.640	2.436	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1CCNC(=O)C(C)(C)C	1292841297	PUUIJIZPBQTXDX-UHFFFAOYSA-N	359.474	2.345	10	10	FECE	
COC12CCC(C(=O)NCc3ccc4cccnc4c3O)(CC1)C(=O)C2	1520256628	NXSKWJXWUWXVSJ-UHFFFAOYSA-N	354.406	2.475	10	10	FECE	
C[C@@H]1Nc2ccnn2[C@H](C)[C@H]1CCC(=O)NCCc1ccc(O)c(O)c1	1528038019	SXZNMKGKQUXVHD-GUTXKFCHSA-N	358.442	2.425	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)NCc2c(O)cccc2F)C1	1596913463	ZJTHDEOSXQUKBT-QGZVFWFLSA-N	356.369	2.497	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNCc3ccc(O)c(O)c3O)[C@@H]2C1	2138791438	CGWMOYYSDNGVBM-HZSPNIEDSA-N	364.442	2.396	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)c1O	2139758426	QZSRJMWOZSANGE-CABCVRRESA-N	364.442	2.389	10	10	FECE	
CCc1c(OCCCOc2ccc(N)cc2)c(=O)ccn1CCN(C)C	1857913452	JLOCOXPXPVJHEV-UHFFFAOYSA-N	359.470	2.402	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CC(NC(=O)c3cccc(O)c3O)C[C@@H]2C1	1965088426	GKGYTLAHBYHDKC-VXGBXAGGSA-N	362.426	2.473	10	10	FECE	
CN(C(=O)CN1C[C@H]2CC[C@H]1CN2C(=O)OC(C)(C)C)c1ccc(N)cc1	2162958662	YKNNEBXUXAABKD-DLBZAZTESA-N	374.485	2.315	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CN[C@H]1CCN(C2COC2)C1	2169581667	YGDQLTNZAXLHFB-NSHDSACASA-N	361.667	2.371	10	10	FECE	
CNCc1ccc(N2CCS(=O)(=O)[C@@H](C)[C@H]2C)cc1Br	2170258329	YFNWZKVYMJVZQN-MNOVXSKESA-N	361.305	2.180	10	10	FECE	
CCN[C@H](c1ccccc1O)c1nn(C)cc1I	2057538474	ZCOARHAVZYIMMW-GFCCVEGCSA-N	357.195	2.429	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC(N=[N+]=[N-])CC1)[C@@H]1CCCO1	2060638652	ZNKYHBBCYZWDNF-QWHCGFSZSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1	2060638521	XVQZNHWOMUOREE-STQMWFEESA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C(=O)N2CCC[C@H](N=[N+]=[N-])C2)C1	2073946645	TXILTPUURZMXBD-FRRDWIJNSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@H]2CN1CCC(=O)Nc1ccc(N)cc1	2198983902	VLLYWAZZQFVFBY-RRQGHBQHSA-N	374.485	2.442	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@H]2[C@H](NC(=O)OC(C)(C)C)[C@H]2C1	2107816371	FMGCLRJHZJEIKK-DANNLKNASA-N	360.458	2.051	10	10	FECE	
O=C(O)[C@@H]1CCOCCN1Cc1cc(Cl)cc(Br)c1O	2285386086	JDLHEKWUOMOPKM-NSHDSACASA-N	364.623	2.484	10	10	FECE	
CCc1ccc(OCCCN/C=C2/C(=O)NC(=O)N(C(C)(C)C)C2=O)cc1	103718186	MVICWFPMASEXGY-SSZFMOIBSA-N	373.453	2.368	10	10	FECE	
C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1cc([N+](=O)[O-])ccc1O	173295917	YCSRYTSWHXSPDO-LLVKDONJSA-N	365.411	2.141	10	10	FECE	
COc1cccc2c1OCC(/C=C1\SC(N3CCOCC3)=NC1=O)=C2	33515947	NVJZTTNHJXJKRF-GDNBJRDFSA-N	358.419	2.317	10	10	FECE	
O=C(CNC(=O)NCc1ccc(N2CC=CC2)cc1)NC1CCCCC1	128028576	YHPBJADCCRGIIU-UHFFFAOYSA-N	356.470	2.311	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N3CCN4CCOC[C@@H]4C3)cc2)CC1	364939429	AOHJUPORNLZHMH-FQEVSTJZSA-N	372.513	2.149	10	10	FECE	
COCCN1CCCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1	299235647	JSYVVFMTYAIFBT-UHFFFAOYSA-N	356.470	2.283	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCO[C@]3(CCCOC3)C2)c([N+](=O)[O-])c1	804768744	SIHDUEGRXTWJNN-WLPBJKJWSA-N	362.382	2.167	10	10	FECE	
C[C@@H](CO[C@H]1CCOC1)NC(=O)NCc1cc(Br)ccc1O	805191721	PKQIAMASZAUJGE-GWCFXTLKSA-N	373.247	2.148	10	10	FECE	
CN[C@@H](c1ccc2c(c1)CCN2C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C	2163144122	LLDJOPYJHWNOHL-OALUTQOASA-N	374.529	2.491	10	10	FECE	
O=C(Cc1cc(C2CC2)no1)NCc1ccc(N2CCOCC2)c(F)c1	822688619	SQZWZDGLHBTONI-UHFFFAOYSA-N	359.401	2.387	10	10	FECE	
C[C@@H](NC(=O)C1(CF)CCOCC1)c1ccc(N2CCOCC2)cc1	822786683	WHFNSMKKRJJHLJ-OAHLLOKOSA-N	350.434	2.467	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCn3nnc(CO)c3C2)c1	820130835	FFMHTPSLJXUEOI-UHFFFAOYSA-N	365.437	2.142	10	10	FECE	
CNC(=O)C1(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1	730042956	AFKTYEVAGCHUJU-UHFFFAOYSA-N	372.396	2.485	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)N[C@H]2CCc3nc[nH]c3C2)cc1	845204324	CLBNGUFJTGRIAT-AWEZNQCLSA-N	357.458	2.053	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCC(=O)NCC23COC3)c1C	921807049	MAWHXYHKIXYDST-UHFFFAOYSA-N	367.449	2.134	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)CN3CCCC3)C2)cc1	852183290	JZVOJONYYGBMER-SJORKVTESA-N	360.502	2.305	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)cc1	855234159	TZIBLZZEFQXEKK-ZDUSSCGKSA-N	357.366	2.318	10	10	FECE	
C[C@@H](NCC[C@H]1CNCCS1(=O)=O)c1cc(Cl)c(Cl)cc1O	925788571	KEOKEZPQPHTBBD-ZJUUUORDSA-N	367.298	2.126	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C)CCN3CCCCC3)C2)cc1	854296335	IIYCHYYBPGHDLG-KRWDZBQOSA-N	360.502	2.401	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CSc3nncs3)C2)cc1	855228524	BNFRYRXPULXCAW-NSHDSACASA-N	350.469	2.034	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CCN(C2CCC2)C1=O	858542819	BZNXMTNFXHOAGZ-HNAYVOBHSA-N	372.513	2.445	10	10	FECE	
CC(C)(C)OC(=O)COCCNCc1ccc(N2CCOCC2)c(F)c1	865684175	PLDWABHMFOSSJD-UHFFFAOYSA-N	368.449	2.110	10	10	FECE	
C[C@H](NC(=O)c1cnc2c(c1)NC(=O)CN2C)c1ccc(N(C)C)cc1	860951059	XNVLQIYRIJBFFY-LBPRGKRZSA-N	353.426	2.027	10	10	FECE	
CC(C)C[C@@]1(C(=O)NCc2cc(Br)ccc2O)CCNC1=O	868306749	AOGPJKHHIDCPFN-INIZCTEOSA-N	369.259	2.323	10	10	FECE	
OC1CCN(c2ccc(CNC[C@H](O)Cc3ccccc3F)cc2)CC1	886236338	DYJFJVLQWXLIOH-HXUWFJFHSA-N	358.457	2.480	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCN2CCC1CC2	790675302	YXEAAFLGSJFRKS-UHFFFAOYSA-N	360.527	2.229	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2nccn2C1	2124542411	DVIXEWUTVLZDQK-LBPRGKRZSA-N	363.422	2.019	10	10	FECE	
C[C@H]1[C@@H](C(=O)NCc2c(O)cccc2O)CCN1C(=O)OC(C)(C)C	1178912267	RJHUMQFCXIUVGK-RYUDHWBXSA-N	350.415	2.360	10	10	FECE	
Cc1ccc(O)c([C@@H](C)N=c2nc(CNC(=O)OC(C)(C)C)[nH]n2C)c1	2126794245	FJYKMOGTVWNNAL-GFCCVEGCSA-N	361.446	2.449	10	10	FECE	
COc1ccc(N2CCCN(C(=O)C(=O)NCC3(C)CCC3)CC2)cc1	1325035286	ZNSPOPYBJKVGSC-UHFFFAOYSA-N	359.470	2.040	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)NCc1ccccc1O	2124102724	FMMMAUHJMABIDI-GJZGRUSLSA-N	364.442	2.280	10	10	FECE	
CCc1nnsc1C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O	1446808335	WQCMNXYANIGNJD-UHFFFAOYSA-N	369.830	2.275	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@](C)(CNCc2cccc(O)c2O)C1	2135090191	BYJZPZCLAGYDER-IBGZPJMESA-N	366.458	2.461	10	10	FECE	
CCc1ccc(N2C[C@H](C(=O)NCc3ccc(O)cc3O)CC2=O)cc1	1299569260	CDYAEJIGVSVWTL-OAHLLOKOSA-N	354.406	2.330	10	10	FECE	
COc1ccc(N2CCCN(CC[S@](=O)C(F)(F)F)CC2)cc1	1615220100	YQHIYCJKAIUQGL-QHCPKHFHSA-N	350.406	2.476	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CCC2)n1C[C@@]1(O)CCOC1	1554175030	GOJMFCXNYODJMD-IBGZPJMESA-N	358.442	2.039	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)NCCOC(F)(F)F)N(C)C)cc1	1638917856	MEOWQCJVEKUOPL-CQSZACIVSA-N	362.396	2.191	10	10	FECE	
Cc1ccc(-n2cnnc2SCC(=O)NCc2ccc(O)cc2O)cc1	1638351678	BLEBUTRPXFEGMF-UHFFFAOYSA-N	370.434	2.395	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)c1cncc2nc(C(F)(F)F)[nH]c12	1631433843	HHQBOWRPJHDTAX-UHFFFAOYSA-N	352.272	2.318	10	10	FECE	
NC(=O)[C@@H]1CC[C@H](CCC(=O)N(Cc2ccco2)Cc2ccccc2O)O1	1566303061	WJZCHTTVMMIHCO-QAPCUYQASA-N	372.421	2.327	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)COc1ccsn1	1637247104	CXQHKACETHGGJC-UHFFFAOYSA-N	370.814	2.083	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1nn(-c2cccnc2)nc1C	1568737661	IADYCXDUHXAENP-UHFFFAOYSA-N	358.398	2.092	10	10	FECE	
CC[C@H](C)[C@@H](O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1685682078	RXHKYPAQGLQPBW-QGTPRVQTSA-N	350.507	2.062	10	10	FECE	
CCCOC(=O)c1ccc(NC(=O)CCN2C(=O)CSC2=S)cc1	1865767753	DCKZOOYWEUNUHA-UHFFFAOYSA-N	366.464	2.442	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4C[C@H](CN4)C3)ccc(N)c2C1	1876349499	JEGRGRWRFKKRHE-KGLIPLIRSA-N	358.486	2.360	10	10	FECE	
C[C@H](NC(=O)[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O	1877573047	FXSRLVSITXSIFI-ORAYPTAESA-N	364.442	2.331	10	10	FECE	
COc1ccc(Br)c(CN[C@H](C)CC[S@@](C)=O)c1O	1964051809	GWIYQLHZDCXBHG-AYLIAGHASA-N	350.278	2.410	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(Cc2ccc(F)cc2O)C1	1972300613	GYKKRVGNQVDNBM-ZIAGYGMSSA-N	368.405	2.474	10	10	FECE	
COC(=O)[C@H](CCN[C@@H](C)c1ccccc1O)NC(=O)OC(C)(C)C	2028194958	HBQIHHKTXYAHHY-JSGCOSHPSA-N	352.431	2.499	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@]3(O)C[C@H]4C[C@H]3N(C(=O)OC(C)(C)C)C4)ccc21	2163143670	IXFPRWIMSMEBKZ-QFDFAYKQSA-N	373.497	2.439	10	10	FECE	
CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CC[C@H](N=[N+]=[N-])C1	2060617959	UCEZROQRJXSHGU-YNEHKIRRSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])CO1	2060610374	HEVRUBPMKLBTKL-FRRDWIJNSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCC(CN=[N+]=[N-])CC2)C1	2060639336	GYNYQXAVXFFJFI-CYBMUJFWSA-N	353.423	2.171	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)[C@H](O)CCNC(=O)OC(C)(C)C	2064276207	DCSZEXSHVBHZMH-IUODEOHRSA-N	352.431	2.187	10	10	FECE	
CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1[C@H](O)[C@@H](N)c1ccccc1O	2076979364	XHEQFUMSDOUKRF-XBFCOCLRSA-N	358.385	2.398	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(c2ccc3c(c2)OC(F)(F)O3)C1	2226696724	OCISKKVYRBLDRM-JQWIXIFHSA-N	372.368	2.472	10	10	FECE	
CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)C1=CC=Cc1ccco1	2297307919	ZYVBQDPEHDVNPV-UHFFFAOYSA-N	357.391	2.289	10	10	FECE	
COc1ccccc1NC=C1C(=O)NC(=S)N(c2ccccc2)C1=O	2297315552	RJNKNWLZMBFDJB-UHFFFAOYSA-N	353.403	2.439	10	10	FECE	
Cc1nn(C)c(C)c1CNC(=O)C=Cc1ccc(N2CCOCC2)cc1	2297706275	GSFVHHRNDQWUOY-UHFFFAOYSA-N	354.454	2.203	10	10	FECE	
CC(C)CN(CCC(=O)O)C(=O)C=Cc1ccc(N2CCOCC2)cc1	2311968523	MGZFAMWBFBWDRA-UHFFFAOYSA-N	360.454	2.496	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1	2315993071	WIZXZQLKDVTEDU-CYBMUJFWSA-N	354.455	2.086	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(C1)C[C@](O)([C@@H](N)c1ccccc1O)CS2	2317526665	IZQFJWQMPKLFOH-KBXCAEBGSA-N	366.483	2.250	10	10	FECE	
CCOc1ccnc(N2CCCN(Cc3cc([N+](=O)[O-])ccc3O)CC2)n1	135779524	DFJHYGSSHKTBAD-UHFFFAOYSA-N	373.413	2.201	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)cc1	246195735	UEOLBQUEUVIIDS-GUDVDZBRSA-N	371.481	2.484	10	10	FECE	
CC[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CCN1C[C@H](C)O	248452820	KSBBGYBKNVUVDB-LPHOPBHVSA-N	374.529	2.056	10	10	FECE	
COC(=O)c1cn([C@@H]2CCN(Cc3cc(Cl)cc(C)c3O)C2)nn1	363910284	UYINFAILUHSLNQ-CYBMUJFWSA-N	350.806	2.179	10	10	FECE	
Cc1ccc(CNCC2CCS(=O)(=O)CC2)c(O)c1Br	2381130505	ZYRVZYYCHPZKKP-UHFFFAOYSA-N	362.289	2.378	10	10	FECE	
Cc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)nnn1C(C)C	292359288	USRJKMODYSAOPJ-UHFFFAOYSA-N	357.458	2.276	10	10	FECE	
C[C@H](NC(=O)[C@@H]1CCCC12OCCO2)c1ccc(N2CCOCC2)cc1	806614186	MJWZJRPHHCFCMK-YJBOKZPZSA-N	360.454	2.244	10	10	FECE	
C[C@H](NC(=O)N(C)C[C@H]1CCCN1C)c1ccc(N2CCOCC2)cc1	817156131	GKUGYTFMBGBMMA-QFBILLFUSA-N	360.502	2.320	10	10	FECE	
COc1ccc(N2CCN(CCNC[C@@H](O)c3ccc(F)cc3)CC2)cc1	818981986	BQBZBQJITSOMII-OAQYLSRUSA-N	373.472	2.280	10	10	FECE	
COc1cccc(N2C[C@H](NC(=O)NCc3ccccc3O)CC2=O)c1	726273775	LUFXAENUKSRSMH-CQSZACIVSA-N	355.394	2.006	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CCS(=O)(=O)[C@H]3CCC[C@H]32)c1O	832462231	BMLIUQSJBQBKHJ-CABCVRRESA-N	357.859	2.400	10	10	FECE	
CCCN(CCC)S(=O)(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	849416630	UHJAUXHWVLWHDY-HNNXBMFYSA-N	355.504	2.230	10	10	FECE	
CN1CCN(c2ccc(CN3CC(=O)N(C)c4ccccc4C3)cc2)CC1	857881899	JESVXQILECFSHD-UHFFFAOYSA-N	364.493	2.417	10	10	FECE	
CCc1nc([C@@H](C)NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)n[nH]1	854298389	CDJCPCFOUKTZIT-CHWSQXEVSA-N	358.446	2.015	10	10	FECE	
Cc1cc(CNC(=O)N[C@H](CO)c2ccnn2C)c(C)n1-c1ccccc1	858905690	CKXDJIQXPNIBHW-GOSISDBHSA-N	367.453	2.360	10	10	FECE	
CC(C)[C@H](N)CCNC(=O)NCc1ccc(N2CCSCC2)cc1	851655463	WLGLILBWFHTFIK-QGZVFWFLSA-N	350.532	2.412	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3CC4(CSC4)C3)cc2)C1	864953462	DQJPDJMYHOMSOH-HNNXBMFYSA-N	373.522	2.148	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)c2ccc3c(c2)B(O)OC3)cc1	864636672	RURLZVYALYQINQ-UHFFFAOYSA-N	352.243	2.023	10	10	FECE	
C[C@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)CCN1Cc1ccccc1	396347859	QKKOPDTVNLRILC-INIZCTEOSA-N	359.495	2.305	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)nc2c1c(O)nn2C	1157102986	UJDLUSOWGVPOBW-UHFFFAOYSA-N	361.398	2.104	10	10	FECE	
Cc1cncc([C@@H]2CCCN2C(=O)C(=O)N2Cc3cccc(O)c3C2)c1	1329488766	NKCRJXSGLWYHTG-KRWDZBQOSA-N	351.406	2.302	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@H]2C1	2118160047	MWLSPWULIDQSFA-UONOGXRCSA-N	362.426	2.427	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)OCC12CC2	2127542635	JIZSWCAWHIEVCH-OLZOCXBDSA-N	365.434	2.314	10	10	FECE	
O=C(NCC[C@@H]1CC[C@@H]2C[C@H]12)C(=O)NCc1ccc(N2CCCC2)cc1	1334573282	HSDJINVFXXZDNM-YQVWRLOYSA-N	355.482	2.455	10	10	FECE	
CN(CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)Cc1cnc[nH]1	1196039713	PZUDTYHUEZQKRT-UHFFFAOYSA-N	374.400	2.256	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(O)c(O)c(O)c2)[C@H]2CC[C@H]21	2132418288	IVHLGZRGGPVJGB-NWDGAFQWSA-N	364.398	2.027	10	10	FECE	
C[C@H]1[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)CCCN1C(=O)OC(C)(C)C	2132402285	CUZLWWSWRNXNCZ-JQWIXIFHSA-N	366.414	2.321	10	10	FECE	
CC[C@H]1CN([C@@H](CC)C(=O)NCc2ccc(N(C)C)c(F)c2)CCO1	1442474943	OPMSIBZHNHMWQV-RDJZCZTQSA-N	351.466	2.397	10	10	FECE	
COC(=O)N[C@H]1CCN(c2nnc(-c3sccc3O)n2CC2CC2)C1	1527165128	PHUHFWYIEAAMIB-NSHDSACASA-N	363.443	2.057	10	10	FECE	
COC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)/C=C/c1cncc(C)c1	1527303342	GGTSCJLTWZXWNQ-ZZXKWVIFSA-N	351.362	2.175	10	10	FECE	
Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NCc1c(O)cccc1F	1456093890	PAHVSMRCWUJYHM-INIZCTEOSA-N	373.363	2.066	10	10	FECE	
COc1ccc(C2=NO[C@H](CNC(=O)Cc3ccc(O)c(O)c3)C2)cc1C	1296890619	AUMQDJAUXBLEOT-HNNXBMFYSA-N	370.405	2.267	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NCc2ccc(O)cc2O)CC1	1921715928	MEPWAJNGOZSPMR-ZBFHGGJFSA-N	366.458	2.195	10	10	FECE	
CCC[C@@H](O)[C@H](CO)NC(=O)NCCc1cc(C)n(-c2ccccc2)c1C	1637410729	RQRWQSODLNLNQI-VQTJNVASSA-N	373.497	2.458	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccncc1F	1632701955	RKMNRPVOKDOPDY-UHFFFAOYSA-N	352.749	2.395	10	10	FECE	
CS(=O)(=O)c1ccc(C(=O)NCc2c(O)ccc3ccccc23)c(N)c1	1645443572	PTGFCGONXRKYFC-UHFFFAOYSA-N	370.430	2.461	10	10	FECE	
Cc1noc(C(C)C)c1NC(=O)c1cc(NS(C)(=O)=O)ccc1O	1644981938	LMCVXNOQIVTQQT-UHFFFAOYSA-N	353.400	2.436	10	10	FECE	
Cc1cccc(O)c1CNCc1c(I)cnn1C	877776493	MXQRLXZBRWFNTM-UHFFFAOYSA-N	357.195	2.329	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccccc1O)[C@H]1CCCO1	1969154042	HUXKDGWPKBGWPI-CABCVRRESA-N	350.415	2.081	10	10	FECE	
C[C@H](N[C@@H]1COC[C@H]1CNC(=O)OC(C)(C)C)c1cc(O)ccc1O	2036598043	CHASDIXYYHTPGI-YWPYICTPSA-N	352.431	2.288	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(O)c(O)c2O)[C@@H]2C[C@@H]21	2057598268	XQYQQKKGNUIEBQ-AVGNSLFASA-N	350.415	2.291	10	10	FECE	
CC[C@@](COC)(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2060639465	IEXAXFYOLSUKET-LRDDRELGSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H](CN=[N+]=[N-])C1)[C@H]1CCOC1	2060621953	UBRGOVUGZGVREM-AGIUHOORSA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)C1	2063392427	YBQRZBOAGSBYLM-BLLLJJGKSA-N	353.423	2.050	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)[C@H](CNCc2ccc(F)cc2O)C1	2084168543	NWHAZLOOEUNNMQ-OAHLLOKOSA-N	353.438	2.172	10	10	FECE	
C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)COc1ccc(N)cc1	2106261967	NDVYJESKMROBCP-ZDUSSCGKSA-N	363.458	2.409	10	10	FECE	
CCN1CCc2cc([C@@H](N)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)ccc21	2106849537	XFLWFEBILYSOSK-YLJYHZDGSA-N	361.486	2.441	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CCCc3ccc(N)cc32)=C[C@H]1O	2201006116	NXTQDAKGGDTMGU-DOTOQJQBSA-N	373.453	2.132	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])C1	2225794129	CROYMELEZWAOMA-IPJQOSJUSA-N	365.434	2.218	10	10	FECE	
O=C(NN1C(=O)C(=Cc2cccc(O)c2)SC1=S)c1cccnc1	2293175912	IHQOMANOKPVNPT-UHFFFAOYSA-N	357.416	2.333	10	10	FECE	
COCCS(=O)(=O)NC(=O)C=Cc1cc(C)n(-c2ccccc2)c1C	2297537579	ONCODEGBLWADNH-UHFFFAOYSA-N	362.451	2.200	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2312333941	HBOKLNZZXAAWQR-BFQNTYOBSA-N	353.423	2.096	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@@H](NCc3cccc(O)c3O)CO2)C1	2337257572	HRAWWGJGRCKXIE-CQSZACIVSA-N	364.442	2.356	10	10	FECE	
CCC1(CC)CN(C(=O)c2ccccc2SCC(N)=O)CC[S@]1=O	186799590	VYBSHDIRCLVZAQ-XMMPIXPASA-N	368.524	2.027	10	10	FECE	
Cc1cc(C(=O)N2CCOC[C@@H]2C(N)=O)c(C)n1-c1cccc(Cl)c1	180266486	DSQAJHNGMUTPLT-MRXNPFEDSA-N	361.829	2.074	10	10	FECE	
COc1ccc(N(C)CC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)c(OC)c1	255216832	SECDRKMSEIQFIE-ZDUSSCGKSA-N	358.442	2.368	10	10	FECE	
O=S1(=O)CCC(CN(Cc2ccccc2O)C[C@H]2CCCO2)CC1	271307420	QGFHPNGZTREUGC-QGZVFWFLSA-N	353.484	2.198	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@@H](c2ccccn2)C1	807098489	WTZORFHAIHWMQT-QGZVFWFLSA-N	366.465	2.088	10	10	FECE	
CCO[C@@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1n1cccn1	836220210	VDKLRGBFURODLT-KSZLIROESA-N	357.458	2.167	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@](O)(C(F)F)C1	837651020	HDYHOXMIEQCRDM-QGZVFWFLSA-N	371.453	2.151	10	10	FECE	
Nc1ccc(NC(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)cc1	841300629	YFJQBJHTMAVQSB-BBRMVZONSA-N	366.421	2.310	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)NCC[S@](=O)CC(F)(F)F)c1	850496502	OOZAWSPTTBYRNS-KLVQOETNSA-N	353.362	2.140	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)c3cnn4c(=O)cc[nH]c34)cc2)CC1	857121574	YXJGPDGEWCMAFX-UHFFFAOYSA-N	365.437	2.189	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccnc(N4CCCC4)n3)C2)cc1	855233385	GPHCFDZDCXECON-OAHLLOKOSA-N	367.453	2.094	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(F)(F)C3CCOCC3)C2)cc1	855226054	PWJCWAFDRRSTGO-AWEZNQCLSA-N	354.397	2.452	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCOC[C@@H]3C)cc2)CC1	1117277726	CDDLKKZDBAGVHN-QFBILLFUSA-N	373.497	2.080	10	10	FECE	
COC[C@H](C)Cn1c(C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1	1300954969	AEIYDABFBNBUDC-MRXNPFEDSA-N	373.501	2.342	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCCN(C)CCOCCO)c1	1153232263	IAVIDTNCAFUINX-UHFFFAOYSA-N	373.497	2.073	10	10	FECE	
CCC[C@H](C)[C@H](CO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1251501186	NSILAUGZEAHGHI-ZYSHUDEJSA-N	364.534	2.452	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCOC2(C)C)cc1	1261686416	NCHYIHWXMZBIKF-INIZCTEOSA-N	361.486	2.080	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1CC(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2131406036	QYHFZJNBKNCVTC-MGPQQGTHSA-N	367.450	2.465	10	10	FECE	
CC1(C)OC[C@@H](NCc2cc(Cl)cc(Br)c2O)[C@H]1O	1910985254	JPRPVONNBZWNOR-ZYHUDNBSSA-N	350.640	2.436	10	10	FECE	
NC(=O)COc1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)cc1	1624178374	OGPJGTUFPQNAMY-UHFFFAOYSA-N	358.375	2.429	10	10	FECE	
COC(=O)[C@]1(O)CCN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1	1633144938	MNLNQIIQVIMUJW-FQEVSTJZSA-N	356.422	2.153	10	10	FECE	
COc1cc(OC)cc(OCCCNC(=O)Cc2ccc(O)c(O)c2)c1	1566371457	KAGODERIHHIYTC-UHFFFAOYSA-N	361.394	2.243	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N[C@H](CO)c1ccccc1OC(F)(F)F	1568600916	YBZWCLQGLYYEDY-GFCCVEGCSA-N	371.311	2.389	10	10	FECE	
C[C@H](NC(=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1)c1ccccc1O	1632249754	AGYNUDLASCJYPI-JTQLQIEISA-N	366.377	2.029	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cn4c(n3)C[C@@H](C)CC4)C2)cc1	1587115572	XFPYZNNTKQIAAD-LSDHHAIUSA-N	354.454	2.483	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCc3c(cccc3[N+](=O)[O-])C2)cc1	153167372	QLLFWIRFFQLHGA-UHFFFAOYSA-N	368.437	2.335	10	10	FECE	
CN(C)c1ccc(CNCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1	1857865601	UZWWMLJYJAMRAA-UHFFFAOYSA-N	370.472	2.330	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)C[C@@H](O)C1(C)C	1879107685	VEAKANHAOVCBAH-JKDFXYPNSA-N	367.450	2.342	10	10	FECE	
C[C@@H]1C[C@@H](NCc2cc(Br)cc(F)c2O)CCS1(=O)=O	2143955306	GXCARAMQPSNFLZ-KCJUWKMLSA-N	366.252	2.349	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCCc3cccc(O)c32)=C[C@H]1O	2188053197	LNOHRVZVNAUIAU-GDBMZVCRSA-N	374.437	2.256	10	10	FECE	
CCCOc1cc(N2CC(O)(CNC(=O)OC(C)(C)C)C2)ccc1N	2044714242	LQASWBSFQWVDDR-UHFFFAOYSA-N	351.447	2.133	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NCc3cccc(F)c3O)CO[C@H]2C1	2057954309	RUQMFUAJACVYFO-QEJZJMRPSA-N	352.406	2.255	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1	2060633839	RXARDOGNZKSPSA-OLZOCXBDSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](O)C[C@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2060637357	KFTMAXNZHSRFAA-AGIUHOORSA-N	353.423	2.048	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(N)cc1)[C@H](O)C(F)(F)F	2254203834	JOEXWWPHEWTQNJ-MNOVXSKESA-N	363.336	2.024	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@]2(NCc3ccc(O)cc3O)CO[C@H]1C2	2255112931	IZQOKFQZLCSCRS-YEWWUXTCSA-N	350.415	2.012	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CC[C@@H](CN=[N+]=[N-])C3)CO[C@H]1C2	2266112622	LIBDRZBDSNDHMJ-LKQDWFRTSA-N	365.434	2.218	10	10	FECE	
Cc1oc(CNC(=O)C=Cc2ccc(N3CCOCC3)cc2)cc1C(=O)O	2311973820	STUNXOKPUGHPGA-UHFFFAOYSA-N	370.405	2.452	10	10	FECE	
CN1CCN(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1	59397515	RSOVPOCHNUTPGP-RAXLEYEMSA-N	364.452	2.048	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)C1CCN(C(=O)c2cccs2)CC1	175416406	CVOATBPRLMTETB-UHFFFAOYSA-N	374.462	2.370	10	10	FECE	
COc1ccc(N2CCN(CCCN[C@@H]3CCN(C4CC4)C3)CC2)cc1	178423200	STSMSUBGUDTMTE-GOSISDBHSA-N	358.530	2.034	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1Cc2cccnc2C1	1347333293	IFVXRGZWEONNQI-QGZVFWFLSA-N	351.450	2.074	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCc4ncnn4C3)c2C)cc1	112653574	QTLVLOVTAIJPQJ-HNNXBMFYSA-N	365.437	2.439	10	10	FECE	
COc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)cnc2c1cnn2C	181884787	IHTCVVGBTARUIQ-UHFFFAOYSA-N	353.426	2.315	10	10	FECE	
C[C@@H](C(=O)O)N(Cc1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	2367677722	MALOPJMMZJSKQG-NSHDSACASA-N	371.349	2.405	10	10	FECE	
CCO[C@H]1CCCN(c2cc3c(cc2Br)[C@H](N)C(=O)N3)C1	92775557	ACOMELWIRGOOAF-XPTSAGLGSA-N	354.248	2.406	10	10	FECE	
O=[N+]([O-])c1cc(Cl)cc(CN2CCCN(c3cccnn3)CC2)c1O	93150190	UKOOEISYYKHPJL-UHFFFAOYSA-N	363.805	2.456	10	10	FECE	
CC[C@H](C)NC(=O)c1ccc(N2CCN(c3ccc(OC)cc3)CC2)nn1	243051311	IFBLMGOFUFOECR-HNNXBMFYSA-N	369.469	2.340	10	10	FECE	
CCNC(=O)N1CC[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1	268540751	MKONXJJWMTUOSH-INIZCTEOSA-N	373.501	2.230	10	10	FECE	
Cc1ccc(CNC(=O)[C@@H](N)CC(C)(F)F)c(O)c1Br	2381146283	KQIKCDBFUWONDV-VIFPVBQESA-N	351.191	2.452	10	10	FECE	
CC(=O)C(=O)COC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F	808500404	LIUBVDIDNNORBT-UHFFFAOYSA-N	358.247	2.345	10	10	FECE	
Nc1cc2c(cc1N1CCC(CNC(=O)C(F)(F)F)CC1)CCC(=O)N2	2163119802	JLWXMQIRBPQUGT-UHFFFAOYSA-N	370.375	2.048	10	10	FECE	
CC(C)OC[C@H](O)CNc1ccccc1OCC(=O)Nc1cccnc1	819472028	ZSGDDDLPGCZNMA-MRXNPFEDSA-N	359.426	2.297	10	10	FECE	
O=C(c1ccn2nccc2n1)N(Cc1ccccc1O)C[C@@H]1CCCO1	901174165	CSWFIRUTYUJQST-HNNXBMFYSA-N	352.394	2.256	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@]1(C)C[C@H](O)CN1C(=O)OC(C)(C)C	901052400	IYIJYBKVSUVUFW-LIRRHRJNSA-N	364.442	2.111	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCC[C@]2(CCCOC2)C1	839219551	JTVUVNQQANUCML-NRFANRHFSA-N	373.497	2.130	10	10	FECE	
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	905456773	NANWFSDAYOHATJ-ZWKOTPCHSA-N	360.454	2.071	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)C3(C(=O)O)C(C)(C)C3(C)C)cc2)CC1	902692814	CASCGFDJUVIAAT-UHFFFAOYSA-N	373.497	2.192	10	10	FECE	
Cc1cc(CNC(=O)c2cn([C@@H]3CC[C@H]3O)nn2)c(C)n1-c1ccccc1	913167318	QBYWDVZPDAWZRZ-RTBURBONSA-N	365.437	2.311	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CN(CCN(C)C)C(=O)[C@H]2C)c1	843428751	MVJRYGBUUXCLHG-GFCCVEGCSA-N	370.291	2.015	10	10	FECE	
CN(C)c1ccc([C@H](N)CNCc2ccc3c(c2)sc(=O)n3C)cc1	841042790	ONEXMVMTXWOTAE-MRXNPFEDSA-N	356.495	2.456	10	10	FECE	
COc1ccc(N2CC[C@@H](N3C(=O)[C@@H](CCSC)NC3=S)C2)cc1	849169525	FWVKUXDOKJRPBX-UKRRQHHQSA-N	365.524	2.112	10	10	FECE	
NC[C@H]1CCCC[C@H]1NC(=O)NCc1cc(Br)ccc1O	841947244	DLQWAGOEVBKUIA-ZWNOBZJWSA-N	356.264	2.471	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)CN2C(=O)Cc3ccccc32)cc1	855020483	QGUHPVZEFDLFQK-UHFFFAOYSA-N	367.449	2.179	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C)C[C@H]3CCCN(C)C3)C2)cc1	854302221	XXAPEJZVFDFIPR-IRXDYDNUSA-N	360.502	2.257	10	10	FECE	
C[C@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccccc1O	827970174	YOJHVNFOXIBLQW-SWLSCSKDSA-N	350.415	2.205	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)N1CCCOCC1	769038148	SESSYOUSNBRVNG-UHFFFAOYSA-N	372.513	2.151	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H]4[C@H](O)C(C)(C)[C@@H]43)C2)cc1	868762488	OXYYVSNAWWZLFA-FZDIXFNVSA-N	373.497	2.465	10	10	FECE	
Cc1noc(C)c1CO[C@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	762470721	GYNWPUSQBZDKEP-KSSFIOAISA-N	360.410	2.214	10	10	FECE	
CC(C)(C)[C@H](O)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	769163565	BCXFMZYLNUIVKL-LJQANCHMSA-N	359.514	2.242	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[C@H](C(C)(C)C)[C@@H](O)C1	779206544	LTYOZYGISWFRID-OALUTQOASA-N	361.530	2.440	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC[C@H](OC(F)F)C1	781353488	KTXHPPVIKXNXHY-INIZCTEOSA-N	355.429	2.415	10	10	FECE	
CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(N=NC(N)=O)cc1	1136497867	YTRZTGVPOINRSK-GFCCVEGCSA-N	363.443	2.279	10	10	FECE	
CN(Cc1cnc(N(C)C)nc1)C(=O)NCCCSc1nccs1	780841435	HBJSEPBQIHFGLG-UHFFFAOYSA-N	366.516	2.323	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cc([C@H]4CCCN4C)[nH]n3)C2)cc1	898580152	CXXIHTSLSVUCFT-AUUYWEPGSA-N	369.469	2.194	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)cc1	1319625646	MLMXVWSOXTVLOA-UHFFFAOYSA-N	356.382	2.351	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC[C@]1(C)CC1(F)F	1327256221	RNKVSXYUYJCLIG-QGZVFWFLSA-N	353.413	2.263	10	10	FECE	
COc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c(O)c1	2116274851	RFWTZWCKVWIREN-GDBMZVCRSA-N	366.458	2.108	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(N(C)C)COc2ccccc2C1	1348213897	VZCZJFXUDLUZHE-LHSJRXKWSA-N	370.449	2.081	10	10	FECE	
C[C@H](C(=O)NCc1cccc(O)c1O)N1CCN(c2ccc(F)cc2)CC1	1347542163	KKUPOVMEEODPNT-CQSZACIVSA-N	373.428	2.064	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc(N)cc2)[C@H]2COC[C@H]21	2132572912	XCVXMCMLWISLHA-LSDHHAIUSA-N	362.430	2.121	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc(NC(C)=O)cn3)CC2)cc1	1435577757	MSWFTQWZGPSXER-UHFFFAOYSA-N	354.410	2.011	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)c1ncnc(O)c1Br	1443807833	CLPGLTRHJJAYDR-UHFFFAOYSA-N	365.231	2.249	10	10	FECE	
CC(C)n1ncc2cc(/C=C\C(=O)NCc3c(O)cccc3F)c(=O)[nH]c21	1456083057	COJCGZQPZFYSBH-SREVYHEPSA-N	370.384	2.480	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2c(o1)CCCC2	1624658414	FGGLNAATELDKRV-AWEZNQCLSA-N	373.405	2.474	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2C[C@H]3CS(=O)(=O)C[C@@]3(C)C2)c1O	1620643521	JCABQVGJSIVUQI-BLLLJJGKSA-N	357.859	2.115	10	10	FECE	
O=C(OC[C@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1)N1CCCC1	1623662347	YGZUXEAXZLATRK-OAHLLOKOSA-N	362.426	2.254	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccsc1S(N)(=O)=O	1626885780	LOVRJVMOXVBMAP-UHFFFAOYSA-N	367.496	2.124	10	10	FECE	
COC(=O)[C@@H]1CN(Cc2ccc(N3CCCCC3)c(C)c2)C[C@H]1C(=O)OC	1620665599	OCBHURYAUQXTKC-QZTJIDSGSA-N	374.481	2.379	10	10	FECE	
Cn1ccnc1CNc1ccc(C(=O)NCc2c(O)cccc2O)cc1	1639292420	BFZZXIBEGBAYDT-UHFFFAOYSA-N	352.394	2.373	10	10	FECE	
CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)c2cccc(O)c2O)c1	1638124814	DBZQPCSQLNMJME-UHFFFAOYSA-N	369.826	2.475	10	10	FECE	
CCS(=O)(=O)c1ccc(C(=O)NCc2cc(Cl)ccc2O)c(N)c1	1632227867	IECXZHFOVBEFBP-UHFFFAOYSA-N	368.842	2.351	10	10	FECE	
CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1Cc1ccco1	1692510479	SNCQEGFUTKLOCD-UHFFFAOYSA-N	369.425	2.400	10	10	FECE	
O=C(NCCCSc1nccs1)N1CCC[C@@H](n2cncn2)C1	154603265	IILBIWUEDRDURU-GFCCVEGCSA-N	352.489	2.264	10	10	FECE	
COc1ccc(CNC[C@@H]2CCN2C2CCOCC2)cc1Cn1cccn1	922956510	UZMOXMVHKAUHMM-FQEVSTJZSA-N	370.497	2.283	10	10	FECE	
CS(=O)(=O)[C@@H]1CC[C@H](NCc2cc(Br)cc(F)c2O)C1	2145392665	PNPREPXWFHVLRJ-WDEREUQCSA-N	366.252	2.349	10	10	FECE	
COc1ccc([C@H](C)n2nc(C)c(C(N)=O)c2Br)c(O)c1	2079969932	KQELZJKHWOAJMQ-QMMMGPOBSA-N	354.204	2.376	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2O)CN(C(=O)OC(C)(C)C)C1	2054416585	WXFIUGZWGDCGLH-VXGBXAGGSA-N	350.415	2.473	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2060634434	ZQDBOQSFLFSHOE-OZVIIMIRSA-N	353.423	2.075	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H](O)C1(C)C	2073245023	CYTRDLMAAUKUKI-ZBEGNZNMSA-N	355.439	2.200	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C2(NC(=O)COc3ccc(N)cc3)CC2)C1	2106259355	JPVJYJWXOGLTQS-UHFFFAOYSA-N	361.442	2.163	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CCO1	2106694645	FGQGEVAURBKZCY-WFASDCNBSA-N	364.446	2.415	10	10	FECE	
CN(CC(C)(C)NC(=O)OC(C)(C)C)c1cc2c(cc1N)OCC(=O)N2	2106709025	HMYJHXNGOCZEGV-UHFFFAOYSA-N	364.446	2.339	10	10	FECE	
CN[C@H](c1ccc(N(C)C)cc1)c1cn(C)nc1I	2107778581	HMQDCWFQXMZFDS-CYBMUJFWSA-N	370.238	2.400	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)N1CCC[C@H]1CN=[N+]=[N-])[C@@H]1CCOC1	2259890346	UKKXZCSBGQRJQG-QWHCGFSZSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@]2(C(=O)N3CCC(N=[N+]=[N-])CC3)CO[C@H]1C2	2266158956	MWKBBEVDGGZFCI-DCGLDWPTSA-N	365.434	2.360	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)NC[C@@H](O)c1ccccc1	2299848216	NWIGUAZVBUIYAH-HXUWFJFHSA-N	352.434	2.386	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2CNCc1ccc(O)c(O)c1O	2311870902	HEJQIIMKWCZEGJ-AVGNSLFASA-N	350.415	2.148	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3CCC[C@H]4OCC[C@H]34)CC2)cc1	177631186	ZPGWIIHVCYAJGO-GUDVDZBRSA-N	359.470	2.484	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H](C)CN3CCCCC3)CC2)cc1	193573385	ZGEHEFXLKFPJLH-QGZVFWFLSA-N	360.502	2.401	10	10	FECE	
CCN[C@@H]1C(=O)Nc2cc(N(C)CC[C@@H](C)O)c(Br)cc21	135567785	YQCYBRCBPZETDO-OTYXRUKQSA-N	356.264	2.259	10	10	FECE	
Nc1ccc(CCNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1	193340518	HCXYJFLBIDHUFH-UHFFFAOYSA-N	366.311	2.485	10	10	FECE	
COC(=O)[C@@H]1C[C@@H](OC)CN1Cc1cc(Br)cc(C)c1O	245654397	IMGUIDQAZFDJDM-OLZOCXBDSA-N	358.232	2.225	10	10	FECE	
COc1ccc(N2CCN(C(=O)CCN(CC(C)C)C(C)=O)CC2)cc1	242503032	BUUBXMHJGGRYFP-UHFFFAOYSA-N	361.486	2.238	10	10	FECE	
CC(C)CN1C[C@@H](C(=O)NCc2cc(Br)ccc2O)CC1=O	804738958	KMATUSRJGZFJSS-LBPRGKRZSA-N	369.259	2.275	10	10	FECE	
CC(C)(C)OC(=O)N1CC([C@@H]2CCN(CC(=O)Nc3ccc(N)cc3)C2)C1	2163011951	DEHRSAALAWSNIR-CQSZACIVSA-N	374.485	2.396	10	10	FECE	
Cc1ccncc1NC(=O)C(=O)NCc1cc(Br)ccc1O	807385900	TVZWPIAZKYBEJU-UHFFFAOYSA-N	364.199	2.113	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cn(C)nc2C2CC2)cc1	812958834	NKLYPGYRSDKOQZ-UHFFFAOYSA-N	369.469	2.399	10	10	FECE	
O=C1NCCN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@@H]1c1ccccc1Cl	588432169	UFCCBYOWDPASEF-XOWYPZSQSA-N	372.808	2.464	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCNC(=O)CC3)ccc21	665658643	VSAFZWMYGFOFNG-MRXNPFEDSA-N	357.454	2.303	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cccn(CC(=O)O)c1=O	901608554	MBDXESHDSRSGIB-UHFFFAOYSA-N	371.437	2.050	10	10	FECE	
CO[C@]1(CN[C@@H](C)c2cccc(C(F)(F)F)c2O)CCS(=O)(=O)C1	903363678	QSGJVCIISRNVHB-HZMBPMFUSA-N	367.389	2.265	10	10	FECE	
COC(=O)c1ccc(=O)n(CC(=O)c2cc(C)n(-c3ccccc3)c2C)n1	739437815	SEBPTHYOCCMQGI-UHFFFAOYSA-N	365.389	2.320	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cn3cc4ccccc4n3)CC2)cc1	748516549	FNUIZIWIBNNUND-UHFFFAOYSA-N	350.422	2.394	10	10	FECE	
CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)NC(=O)c1cccc(O)c1O	848364044	MIXHCGUOEQRZIN-CQSZACIVSA-N	358.394	2.176	10	10	FECE	
CCc1ncsc1NC(=O)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	850537211	OFPXKGABAKQVFD-LBPRGKRZSA-N	374.466	2.048	10	10	FECE	
C[C@@H](NC(=O)c1cncc2ncn(C)c12)c1ccc(N2CCOCC2)cc1	865018186	HPAQSQSXVBSBRL-CQSZACIVSA-N	365.437	2.296	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CNCC3(C)C[C@@H]4C[C@H]4C3)CC2)cc1	863581973	IKUVLPSLZDSILW-CMKODMSKSA-N	373.541	2.204	10	10	FECE	
C[C@H](O)c1ccc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)nc1	865455638	LAHSSZIIWMHOND-YOEHRIQHSA-N	354.454	2.449	10	10	FECE	
O=C(c1cc(O)cs1)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(F)(F)F)C1	863591829	KNPVEJBQJQFHSD-IXLVHKGHSA-N	374.384	2.325	10	10	FECE	
CCO[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCOC1	864919505	XHHSHEDWWMYIMZ-SJLPKXTDSA-N	364.511	2.298	10	10	FECE	
O=C1O[C@@H]2CNC[C@@H]2N1[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1	872254461	DROOFFJSKDIJRR-HSALFYBXSA-N	370.497	2.044	10	10	FECE	
COC(=O)[C@H]1CC(F)(F)CN1C(=O)c1cc2cc(O)c(O)cc2s1	1119595852	SYFMDTQXNQKSOX-MRVPVSSYSA-N	357.334	2.335	10	10	FECE	
Cc1cc(NC(=O)C(=O)N(C)Cc2ccccc2O)nn1[C@@H](C)C1CC1	784672122	VWSFWROCEOXZJC-ZDUSSCGKSA-N	356.426	2.465	10	10	FECE	
CNC(=O)[C@H]1CCCN(Cc2c(C(=O)OC)n(C)c3ccc(F)cc23)C1	894020846	RLLBIJKSLOCFDB-LBPRGKRZSA-N	361.417	2.062	10	10	FECE	
CC1(C)CO[C@@H](CC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1	894589897	LAMWWWLLGXFMCH-SFHVURJKSA-N	373.497	2.210	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)Nc3ccc(C)nc3)cc2)CC1	786121518	LWZNKCIZSVTCEH-UHFFFAOYSA-N	367.453	2.380	10	10	FECE	
CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)C1	1154768942	BTUAJCULZXXTRU-OCCSQVGLSA-N	350.415	2.014	10	10	FECE	
COc1ccc(N2CCN(Cc3ccnc(N(C)C)c3)CC2)c(OC)c1	1308014020	IQIQJXXQPXZBKX-UHFFFAOYSA-N	356.470	2.487	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\c1ccncc1C	1325192007	UWNHVXULTVQUKW-WRLNGNIRSA-N	370.405	2.105	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC(CN=[N+]=[N-])CC1)[C@@H]1CCOC1	2124512074	JFWCOOGXPAKKPF-ZIAGYGMSSA-N	367.450	2.465	10	10	FECE	
Nc1ccc(OC[C@H](O)COCCOCCOCc2ccccc2)cc1	2120312009	OOLSQJLZNYBZEP-LJQANCHMSA-N	361.438	2.259	10	10	FECE	
O[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC2(CCOCC2)C1	1338310719	SZDZWNRLURENCO-KRWDZBQOSA-N	364.461	2.026	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN[C@H]3CCOCC34CCCC4)nc12	1198752275	JFZHCQHMLFYTOF-HNNXBMFYSA-N	374.441	2.051	10	10	FECE	
O=C(NCC1CCN(Cc2ccccc2)CC1)c1cc(O)c(O)c(O)c1	2132350799	QSECMIMJMGKEAR-UHFFFAOYSA-N	356.422	2.445	10	10	FECE	
Cc1cc(CC(=O)Nc2cn(C)nc2C(N)=O)c(C)n1-c1ccccc1	1436724213	KYVVYMITYLIFNG-UHFFFAOYSA-N	351.410	2.108	10	10	FECE	
O=C(NC[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1)c1ccccc1	1294530575	ANQCIQSRKNGZSI-INIZCTEOSA-N	368.433	2.309	10	10	FECE	
Cc1ccc(C(=O)NCc2nnc(N)o2)cc1-n1c(C)cc(C=O)c1C	1296816791	ZYUMNYUCOSBNLJ-UHFFFAOYSA-N	353.382	2.110	10	10	FECE	
CC(C)(CCNC(=O)Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	1455258099	YWWMAJAISBNFQK-UHFFFAOYSA-N	352.431	2.450	10	10	FECE	
O=C(Cc1ccnc(F)c1)NCc1cc(F)c(N2CCOCC2)c(F)c1	1556946672	UPIPDBBUWRPIHQ-UHFFFAOYSA-N	365.355	2.194	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCN(CC3CCOCC3)CC2)cc1	1628342265	TXTBTNXHYAMHKH-UHFFFAOYSA-N	359.430	2.033	10	10	FECE	
Cc1cc(=O)c(C(=O)NCc2ccc(O)cc2O)nn1-c1ccccc1F	1630301873	KYFLOKDAHSEMDT-UHFFFAOYSA-N	369.352	2.021	10	10	FECE	
Cc1nnc(N2CCCO[C@H](C)C2)n1Cc1ccc(N2CCOCC2)cc1	1751924585	RKHUILUOSVIIDZ-MRXNPFEDSA-N	371.485	2.087	10	10	FECE	
CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S	16936809	XPTBCUSOMKPWCT-DSDFTUOUSA-N	353.421	2.408	10	10	FECE	
CS(=O)(=O)C[C@H]1CCCN1Cc1cc(Br)cc(F)c1O	2151230051	FNGXDNUCYPIZFA-LLVKDONJSA-N	366.252	2.303	10	10	FECE	
CC(C)(C)OC(=O)NCc1nc(=NCc2cccc(Cl)c2O)[nH][nH]1	2011843275	ULGICCHUNKDVDS-UHFFFAOYSA-N	353.810	2.222	10	10	FECE	
COC(=O)[C@H](CCNCc1cccc(C)c1O)NC(=O)OC(C)(C)C	2028196633	WDUWASJLFMSSHR-AWEZNQCLSA-N	352.431	2.247	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccn(-c3ccc(N)cc3)n2)C1	2162523049	YAAAMHWZTRICAV-AWEZNQCLSA-N	371.441	2.194	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)CCOc1ccc(N)cc1	2044202819	SROBDAAOKFEXMH-OLZOCXBDSA-N	351.447	2.456	10	10	FECE	
COC(=O)c1cccc(N)c1N[C@H]1CCON(C(=O)OC(C)(C)C)C1	2046521270	KUNHUAYJASGCSW-NSHDSACASA-N	351.403	2.408	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C(F)(F)C1	2049785240	XWPHQEYBGUKUQT-SRVKXCTJSA-N	360.401	2.144	10	10	FECE	
CO[C@H](C(=O)N1CCC(N=[N+]=[N-])CC1)C1CN(C(=O)OC(C)(C)C)C1	2060633784	RMTUQFALFYHUBL-ZDUSSCGKSA-N	353.423	2.170	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@H](CNC(=O)OC(C)(C)C)C1CCOCC1	2060612863	LCSMQULUMZDKJJ-CYBMUJFWSA-N	355.439	2.323	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@H](NCc3ccc(F)cc3O)CO[C@H]2C1	2084167690	DKJWZWCRGHTBNW-LZWOXQAQSA-N	352.406	2.255	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CN[C@@H]1CCC[C@@H](O)[C@@H]1O	2224346739	BMHZGZFRWBLIQO-NQBHXWOUSA-N	350.640	2.172	10	10	FECE	
CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)N[C@H]3CCC[C@H]3N=[N+]=[N-])(C1)C2	2254819024	TZJLHVHCNYMGLN-OJXGSEEGSA-N	351.407	2.160	10	10	FECE	
COc1ccccc1C=C1SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O	2296664714	ZENUTRKZCJXBNH-LLVKDONJSA-N	369.489	2.084	10	10	FECE	
Cc1ccc(N2C(=O)C(=CNCc3cccnc3)C(=O)NC2=S)c(C)c1	2296946579	WCTYJHDMRNZNGL-UHFFFAOYSA-N	366.446	2.120	10	10	FECE	
CCn1nccc1C=CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	2303614686	CMDHPPQETRSGOM-UHFFFAOYSA-N	354.454	2.411	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3CCC(OCCCO)CC3)ccc21	119305183	AHJYIVKNYUNXNX-UHFFFAOYSA-N	361.486	2.142	10	10	FECE	
[N-]=[N+]=NCCCN[C@H](C(=O)O)c1ncc(I)s1	304474701	JZRDXMFKUNVRLE-LURJTMIESA-N	367.172	2.163	10	10	FECE	
O=C(O)Cc1nc2c(O)cccn2c1/N=N\c1ccc(O)c(C(=O)O)c1	71602122	NRNAQAMERUYCGW-HNENSFHCSA-N	356.294	2.486	10	10	FECE	
Cc1noc([C@H]2COCCN2Cc2cc(Cl)cc([N+](=O)[O-])c2O)n1	188470025	FKDOIOQCYUAMMM-GFCCVEGCSA-N	354.750	2.219	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cc3csc(CN(C)C)n3)CC2)cc1	49665679	JKIOZUDGXWTUII-UHFFFAOYSA-N	374.510	2.105	10	10	FECE	
O[C@@H](C[C@H]1COCCN1Cc1ccc(N2CCOCC2)cc1)c1ccco1	92040287	XNGGHZGQDFOZIU-PMACEKPBSA-N	372.465	2.441	10	10	FECE	
C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(N2CCC(O)CC2)cc1	90537878	ZJJRXSZCBYGPSD-AWEZNQCLSA-N	359.430	2.103	10	10	FECE	
C[C@H]1CN(c2ccc(CNS(=O)(=O)CC3CC3)cc2F)C[C@@H](C)O1	267168349	IASBMSUMWFIITL-BETUJISGSA-N	356.463	2.269	10	10	FECE	
COc1ccc(N2CCN(CCN[C@H](C)CCn3cccn3)CC2)cc1	272352932	DHHUJHXURFAYBQ-GOSISDBHSA-N	357.502	2.082	10	10	FECE	
COC(=O)c1cn(C2CCN(Cc3cc(Cl)c(F)cc3O)CC2)nn1	293535203	FIYKWNWTSZDIQJ-UHFFFAOYSA-N	368.796	2.400	10	10	FECE	
CCOC(CC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)OCC	819587878	IULGSFXIJYJRIR-HNNXBMFYSA-N	350.459	2.427	10	10	FECE	
OCCN(Cc1ccc(N2CCOCC2)c(F)c1)C1CCSCC1	825129816	FXLDMMXZFBOAJC-UHFFFAOYSA-N	354.491	2.352	10	10	FECE	
CCn1cccc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1=O	823762258	AQMMQJSYXRJUSM-CQSZACIVSA-N	356.426	2.277	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C1CCN(Cc2nccn2C)CC1	734405889	LMCURQURPNBYOU-UHFFFAOYSA-N	369.513	2.323	10	10	FECE	
Cc1cc(C(=O)CN2CC[C@H](O)[C@@H](CO)C2)c(C)n1-c1ccc(F)cc1	839665909	IYGLHHIVUKXVBD-BEFAXECRSA-N	360.429	2.091	10	10	FECE	
N[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC[C@@H]1C(F)(F)F	903982179	MLJPDJPYLVHZBS-ZFWWWQNUSA-N	361.383	2.374	10	10	FECE	
CN(C)c1ccc([C@H](N)CNC(=O)CCc2ccc3c(c2)OCCO3)cc1	832292780	MQLSIORNPRCDRW-GOSISDBHSA-N	369.465	2.273	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccccc1CNC	846343887	KMUSFNOGCLAUCV-UHFFFAOYSA-N	369.465	2.167	10	10	FECE	
COC(=O)/C(C)=C\CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	914400997	ZEDXBUWZOYNOML-CKNOQMABSA-N	361.442	2.003	10	10	FECE	
Cc1cc(Cl)cc(CN2CCC[C@H](CNC(=O)[C@H]3CCCN3)C2)c1O	843058505	UTJZIDYWUIJIMZ-RHSMWYFYSA-N	365.905	2.434	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)[C@H]1CCCNC1	923582220	KRTPFBDEXJSPBP-SFHVURJKSA-N	351.516	2.191	10	10	FECE	
O=C(NCC1COC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	858914777	AGIDDPGOHCIKSH-CYBMUJFWSA-N	355.385	2.202	10	10	FECE	
C[C@H](NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)c1ccccc1O	827956374	LHYFHLAOLAPHDQ-JSGCOSHPSA-N	351.447	2.024	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]21	935944870	BGLUKQWYRNGGRJ-MCIONIFRSA-N	351.443	2.189	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@H](O)[C@H]1CCCO1	862656144	ZCVUAZFZUMSGCV-RBUKOAKNSA-N	356.422	2.176	10	10	FECE	
CN(C)c1cc(F)c(CN2CCN(CC(F)(F)F)C(=O)C2)cc1F	862366578	UBGPEWKXHKNZBT-UHFFFAOYSA-N	351.319	2.237	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NC1CCN(C(=O)c2ccccc2F)CC1	1136240437	KQKXRMUCPHWQAI-UHFFFAOYSA-N	372.396	2.200	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)c3cc[nH]c3C3CC3)nc12	792417799	KPYATBROBWEMIK-UHFFFAOYSA-N	370.365	2.174	10	10	FECE	
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1O	1084266840	YSFNLLNKSLDBOD-UKTHLTGXSA-N	356.309	2.206	10	10	FECE	
CS(C)(=O)=NCC1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1	1156189323	RNDRGGARTIDWRT-UHFFFAOYSA-N	365.459	2.429	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](C(=O)N1CC[C@H](CN=[N+]=[N-])C1)[C@H]1CCOC1	2124506662	ZRPCCQFNRGRQOM-RDBSUJKOSA-N	367.450	2.323	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](c2nc(=NCc3ccccc3O)[nH][nH]2)C1	2128841130	IXHKFMOMTGMNGU-ZDUSSCGKSA-N	359.430	2.269	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)NCc2cccc(O)c2O)C1	1521851436	LZALMIFQWRLOGY-QGZVFWFLSA-N	354.378	2.063	10	10	FECE	
COC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)/C=C\c1cncc(F)c1	1460484074	OGLSDJTZZCBQIA-DJWKRKHSSA-N	355.325	2.006	10	10	FECE	
COC(=O)[C@H]1CCN(c2nnc(C)n2Cc2ccc3c(c2)CCCN3C)C1	1554528805	JFNBWJCNEUVPIA-KRWDZBQOSA-N	369.469	2.017	10	10	FECE	
Cc1nc(O)c(C(=O)NCc2ccc(O)cc2O)cc1Br	1630302231	TVFVARBNOBUSKB-UHFFFAOYSA-N	353.172	2.199	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1[C@H](C)C(=O)N[C@H](C)[C@H]1C	1673744441	LZVLYZJHRZYMDF-ZJIFWQFVSA-N	360.502	2.299	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(CC(C)(C)C)n1Cc1ncn(C)n1	1696700580	ITOFQMLUTCFYTC-UHFFFAOYSA-N	369.473	2.386	10	10	FECE	
COc1cc2c(cc1OC)N(CCN1C(=O)c3ccccc3C1=O)CC2	1970282132	REZKEFDWFRCERH-UHFFFAOYSA-N	352.390	2.363	10	10	FECE	
C[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1CNC(=O)OC(C)(C)C	870370350	MZBRXJFAKZMKGX-VXGBXAGGSA-N	350.415	2.331	10	10	FECE	
CN1C(=O)[C@H](N)c2ccc(N3C[C@H]4CCN(Cc5ccccc5)[C@H]4C3)cc21	2188884358	JOOKTGXHWKPLPH-TYCQWZJGSA-N	362.477	2.374	10	10	FECE	
CN1CCc2cc([C@H](N)C3(O)CC4(CN(C(=O)OC(C)(C)C)C4)C3)ccc21	2183288557	CXRYBXSUAKHDDW-KRWDZBQOSA-N	373.497	2.441	10	10	FECE	
COc1ccc(N2CCC[C@](O)(CNC(=O)OC(C)(C)C)C2)c(N)c1	2044737089	YQGIUUOWULZDEU-SFHVURJKSA-N	351.447	2.133	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)CN1CCCN(C(=O)OC(C)(C)C)CC1	2060621716	QHKBWUKGBDRSLG-UHFFFAOYSA-N	354.455	2.088	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](CC(=O)N2CC[C@@H](N=[N+]=[N-])C2)O1	2060638910	CFXKULSLLKSFQA-JHJVBQTASA-N	353.423	2.312	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2218738483	PQYZCAAHIOQGKY-FVCCEPFGSA-N	353.423	2.358	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCCC[C@]2(C(=O)NCCCN=[N+]=[N-])C1	2221344269	ZNTQQYYWFNZOQY-LRDDRELGSA-N	353.423	2.219	10	10	FECE	
Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])cn1	2225792575	OIEPOJDKLOWYLR-AGIUHOORSA-N	363.422	2.334	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCS(=O)(=O)[C@H](C)C1	172375306	HJTLNHZMBXERJV-CYBMUJFWSA-N	352.481	2.415	10	10	FECE	
c1cnnc(NC2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)c1	120296508	CXHDNCZTHDYMCG-UHFFFAOYSA-N	353.470	2.390	10	10	FECE	
CN(c1ccc(CO)cc1Br)[C@@H]1CC[C@@H](S(C)(=O)=O)C1	2361705265	ZPNYXIKQTUJYHG-VXGBXAGGSA-N	362.289	2.343	10	10	FECE	
COc1cccc(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n1	186800739	FRCDEPMMDRULAI-UHFFFAOYSA-N	355.438	2.128	10	10	FECE	
CCC[C@H](O)CNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92438695	TURQZYNRDJYFEG-FQEVSTJZSA-N	374.529	2.179	10	10	FECE	
Cc1nn(C)c(C[C@@H](NN)c2ccc(N(C)C)cc2)c1Br	97752470	DKJZDIHVGHNIKK-CYBMUJFWSA-N	352.280	2.304	10	10	FECE	
Cc1cccnc1CCNC(=O)NCc1ccc(N2CCOCC2)cc1	296324745	LGSNHBOBESCDRA-UHFFFAOYSA-N	354.454	2.269	10	10	FECE	
COc1ccc(N2CC[C@H](CNS(=O)(=O)c3ccccc3N)C2)cc1	819887395	JIHOHCKWVUUJQT-CQSZACIVSA-N	361.467	2.082	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)NCC3CCCCC3)C2)cc1	824916921	IVOCDLYIYOJCLF-KRWDZBQOSA-N	373.497	2.334	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)Cc3ccc(O)nc3)cc2F)C[C@@H](C)O1	822689117	XRRBDRLXCCBYJU-ZIAGYGMSSA-N	373.428	2.399	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)c2ccnc3c2CC(=O)N3)cc1F	826941818	KVCFCEUUFCOQNQ-UHFFFAOYSA-N	356.401	2.492	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@@]2(CCOC2)C1	836249778	QSLLSXOIQPTPEG-HXUWFJFHSA-N	359.470	2.235	10	10	FECE	
Cc1cc(C(=O)CN2CCC[C@](O)(CO)C2)c(C)n1-c1ccc(F)cc1	839149797	WEGGZZUFQKMYAA-HXUWFJFHSA-N	360.429	2.235	10	10	FECE	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cnn(C3CCC3)c2)c1	914154218	XNKCGCCJOBAERD-LLVKDONJSA-N	351.428	2.362	10	10	FECE	
C[C@H]1CN(c2ccc(CN3C(=O)N4CC5CC4(C5)C3=O)cc2F)C[C@H](C)O1	849352406	VFJNYOFXGROHFH-IHFXXZKVSA-N	373.428	2.366	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCC(N3CCCS3(=O)=O)CC2)cc1	840955767	YZNDDBCXFMDTGT-HYXAFXHYSA-N	363.527	2.266	10	10	FECE	
COC(=O)[C@@H]1C[C@@]1(N)c1cc(Br)cc(Br)c1O	1952774121	DKKLYEHUKOSWGQ-WRWORJQWSA-N	365.021	2.264	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3C[C@@]4(C)COC[C@@]4(C)C3)C2)cc1	852448027	ALBQKHCLLHYCIP-YSGRDPCXSA-N	359.470	2.342	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3nnc(C)s3)C2)cc1	852252420	GVFYQOMGMVINMI-AAEUAGOBSA-N	361.471	2.494	10	10	FECE	
Cc1ccc(C(=O)N[C@H](C)c2cccc(NS(C)(=O)=O)c2)c(O)c1O	751534601	YKJTXBRGXJBNDX-LLVKDONJSA-N	364.423	2.269	10	10	FECE	
CCC1(CC)CN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c2ccccc21	752376352	ONQOUMNKAYNPJX-VAWYXSNFSA-N	367.449	2.202	10	10	FECE	
CCN1CC[C@H]2OCCN(Cc3c(O)cccc3Br)[C@H]2C1	862377638	JWZVXHACVGKVJC-GOEBONIOSA-N	355.276	2.450	10	10	FECE	
COCc1cncc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1	764999111	DUCLIJSPXNDWOD-UHFFFAOYSA-N	359.401	2.134	10	10	FECE	
CCO[C@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[C@@H]1CCOC1	866897854	KDXHHJIEEDOFBR-LMMKCTJWSA-N	363.454	2.341	10	10	FECE	
CCOC(=O)Cc1cccc(S(=O)(=O)N2Cc3cccc(O)c3C2)c1	867690567	IVEQYJMHAOKGLW-UHFFFAOYSA-N	361.419	2.202	10	10	FECE	
Cc1nc([C@@H]2COCCN2Cc2cccc(Br)c2O)no1	779612701	IEHASBUZXWLWNU-LBPRGKRZSA-N	354.204	2.420	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCC(Oc3cnccn3)CC2)cc1	783633181	HVNLJEQWFITJRA-UHFFFAOYSA-N	355.442	2.296	10	10	FECE	
CCCCC[C@@H](O)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O	1137816060	CUFLXMZXYMNXDS-OAHLLOKOSA-N	357.834	2.488	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1CC2(CN(Cc3ccccc3)C2)C1	706201214	VQRMMRBVASQFAG-MRXNPFEDSA-N	350.466	2.414	10	10	FECE	
Cc1ccnc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n1	791527821	UKKAJFIPFSVRMK-KBPBESRZSA-N	358.417	2.468	10	10	FECE	
COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)c(F)c1	797819884	VCWIRQKBWWMVRO-UHFFFAOYSA-N	355.343	2.127	10	10	FECE	
C[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccccc1O)N(C)C	1303717759	MKKXTBCBBYYZOG-WBVHZDCISA-N	373.501	2.464	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)N2CCC(CN=[N+]=[N-])CC2)C1	2124510230	TVGANGRIDQYONS-CQSZACIVSA-N	366.466	2.134	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C[C@H]2OCC[C@H]21	2124503014	GFUNHQIYNZQKEU-YIYPIFLZSA-N	365.434	2.455	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2124507049	FAFGOWXJLNPMLR-KBPBESRZSA-N	366.466	2.229	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)COc2ccc(N)cc2)[C@@H]2C[C@@H]21	2121246361	UTCUFDDTFAAHDB-JYJNAYRXSA-N	361.442	2.162	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)NCc1ccccc1O	2124256312	CYRDECOKRQMWAO-GJZGRUSLSA-N	364.442	2.471	10	10	FECE	
Cc1oc(S(C)(=O)=O)cc1C(=O)NCc1ccc(N(C)C)c(F)c1	1331334924	RIQLGZMQVYQHRE-UHFFFAOYSA-N	354.403	2.127	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCC([C@H](F)C(N)=O)CC2)cc1	1350851036	UWHGSJLYBXITSH-KRWDZBQOSA-N	364.465	2.278	10	10	FECE	
C[C@H]1[C@H](C(=O)NCc2cccc(O)c2O)CCN1C(=O)OC(C)(C)C	1520509788	WCDNWUPDARKJDS-WCQYABFASA-N	350.415	2.360	10	10	FECE	
CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCN(CC(F)(F)F)C1=O	1293284653	QUCWNGVSMPACGF-NSHDSACASA-N	371.319	2.084	10	10	FECE	
Cc1c[nH]c(CC(N)=O)c1C(=O)N(C)c1ccc(Br)cc1	1471999065	KTDINSPULIMKEB-UHFFFAOYSA-N	350.216	2.390	10	10	FECE	
O=C(NC[C@@H](O)c1ccccc1Br)c1cccc(O)c1O	1557012516	MLIIVWLJLJYZCX-CYBMUJFWSA-N	352.184	2.324	10	10	FECE	
C[C@@H]1CCCc2ncc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)n21	1598277636	UONUVGASYXIIEK-MRXNPFEDSA-N	367.497	2.462	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNC(=O)Cc3ccc(N)cc3)[C@H]2C1	2138811151	XLXWRTSLTROAHY-IKGGRYGDSA-N	359.470	2.431	10	10	FECE	
CC1(CNCc2cc3c(cc2O)OCO3)CN(C(=O)OC(C)(C)C)C1	1970942594	GLMKUFCWOCPKAG-UHFFFAOYSA-N	350.415	2.468	10	10	FECE	
CCN(c1ccc([C@H](C)N)c(Br)c1)[C@@H]1CCS(=O)(=O)C1	387405374	LRVPBLFHOXQAJI-CMPLNLGQSA-N	361.305	2.482	10	10	FECE	
C[C@@H](C(=O)O)N1CC(NCc2cc(Cl)cc(Br)c2O)C1	2188310682	WPMDKUARGWHXJD-ZETCQYMHSA-N	363.639	2.055	10	10	FECE	
COc1ccc(N2CCC[C@@](CO)(NC(=O)OC(C)(C)C)C2)c(N)c1	2044745439	HBTJXLVWKYUQCS-GOSISDBHSA-N	351.447	2.133	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060613520	RWTPECYGXDWXKT-UPJWGTAASA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)N2CC(N=[N+]=[N-])C2)OC(C)(C)C1	2073952156	ZLBWRVSOGRUYTD-JQWIXIFHSA-N	353.423	2.358	10	10	FECE	
C[C@@H]1CCN(C(=O)COc2ccc(N)cc2)C[C@@H]1NC(=O)OC(C)(C)C	2106776709	KWEZSRJUPDIAQN-CJNGLKHVSA-N	363.458	2.409	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@]2(C(=O)N3CCC[C@H](N=[N+]=[N-])C3)CO[C@H]1C2	2266155196	COBHLXSPUZIEEB-MRHIQRDNSA-N	365.434	2.360	10	10	FECE	
COCCn1c(C)cc(C=C2SC(=O)N([C@H](C)C(=O)OC)C2=O)c1C	2293999166	YTKDEKFGHFJIJK-GFCCVEGCSA-N	366.439	2.349	10	10	FECE	
COc1ccc(N2C(=O)NC(=O)C(=CNc3ccccc3OC)C2=O)cc1	2297317902	GSRQHQRXLMOFRE-UHFFFAOYSA-N	367.361	2.283	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)NCCCOC[C@@H]1CCOC1	2297626280	UCRVXTCTEQJTKO-IBGZPJMESA-N	374.481	2.096	10	10	FECE	
C[C@@H]1C[C@@H](N(C)C(=O)C=Cc2ccc(N3CCOCC3)cc2)CCN1C	2297638042	LOZMJZCDJZSVCA-XLIONFOSSA-N	357.498	2.478	10	10	FECE	
CC(C)(C)OC(=O)CCNC(=O)C=Cc1ccc(N2CCOCC2)cc1	2297660860	GENVMVRYPXOVCP-UHFFFAOYSA-N	360.454	2.384	10	10	FECE	
CCC(=O)N[C@@H](CCSC)C(=O)N(C)Cc1ccc(N(C)C)cc1	54128842	AVMAHYQLMLGSFS-INIZCTEOSA-N	351.516	2.359	10	10	FECE	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3CC[C@@H](O)C3)c2C)cc1	114723495	XHPKXFAZPMUAKM-QGZVFWFLSA-N	356.422	2.130	10	10	FECE	
O=C(N[C@H](CCc1cc(O)c(O)c(O)c1)C(=O)O)OCc1ccccc1	1951401582	GVGVUMLMNHXHFH-CYBMUJFWSA-N	361.350	2.116	10	10	FECE	
c1cncc(CN2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)c1	183664530	XHQGTWPLASUWPS-UHFFFAOYSA-N	352.482	2.236	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1c(C)nn(C)c1OC	93277110	HIZKPPKWISGQPA-UHFFFAOYSA-N	367.833	2.271	10	10	FECE	
COc1ccc(N2CCN(C(=O)CNCCc3ccccc3F)CC2)cc1	244424746	YVQIITGZNUQAOP-UHFFFAOYSA-N	371.456	2.315	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)NCCCc3ncnn3C)ccc21	627899222	AEUARHVEDHANNY-UHFFFAOYSA-N	369.469	2.396	10	10	FECE	
Oc1ccc(Br)cc1CNc1nccc(N2CCOCC2)n1	804828127	ISROMIYVGRYFIV-UHFFFAOYSA-N	365.231	2.393	10	10	FECE	
CC(=O)C(=O)COC(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C	808517928	SMCCKAZBDJSNPT-UHFFFAOYSA-N	356.422	2.491	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(O)ccc1OC	819697031	MHFGVXMVWDBDMM-UHFFFAOYSA-N	359.378	2.312	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3CC([C@@H]4CCOC4)C3)C2)cc1	824685876	IFJZJWFOSYVXLG-JKSUJKDBSA-N	359.470	2.199	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)N[C@@H](C)C3CCCC3)C2)cc1	828108668	NQHLXIMLSSRYBH-HOCLYGCPSA-N	359.470	2.085	10	10	FECE	
C[C@@H]1C[C@@H](S(=O)(=O)NCc2cc(Br)ccc2O)CCO1	831521479	ALDVBVDJWNMWNE-SKDRFNHKSA-N	364.261	2.142	10	10	FECE	
COc1ccc(N2CC[C@H](N3C(=O)N[C@@H](CC(F)(F)F)C3=O)C2)cc1	849358555	YGZLWENXLXOZNG-AAEUAGOBSA-N	357.332	2.147	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc([C@@H](C)N)cc1	842266995	DSGKAXNPKLJZFY-OAHLLOKOSA-N	369.465	2.467	10	10	FECE	
CCS(=O)(=O)C1(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1	850556653	LFXZDWRMDCMYBM-CQSZACIVSA-N	370.490	2.280	10	10	FECE	
COc1nc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)co1	858625772	BKIUJUPXPFSMMD-RYUDHWBXSA-N	363.389	2.366	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3c(C)cc(C)nc3O)C2)cc1	853250367	XLHLWRMNSXBIJA-OAHLLOKOSA-N	370.453	2.491	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC2CC(CC(N)=O)C2)c1	928046948	RIHCHDCPHHZRFE-UHFFFAOYSA-N	353.422	2.290	10	10	FECE	
CCn1nc(C)cc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	861686720	DGDXIZYAILSSKW-UHFFFAOYSA-N	355.442	2.067	10	10	FECE	
CN(Cc1nc(-c2cccnc2)no1)C(=O)/C=C/c1ccc(O)c(O)c1	779518687	ZLUZMWYASKKQRR-FNORWQNLSA-N	352.350	2.215	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2nc3ccc(F)cc3[nH]2)c1	787683064	BLRHCGXNBFKWSS-UHFFFAOYSA-N	364.358	2.031	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCN(c2ncns2)CC1	897897061	JBXLMYLMLSGTBK-UHFFFAOYSA-N	362.436	2.126	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCS(=O)(=O)[C@H](C)[C@H]2C)c1	781914072	YAHCRAGRDCGTEG-GHMZBOCLSA-N	362.289	2.471	10	10	FECE	
COc1ccc(CNC(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)c(O)c1	797636569	BJFMKHOCAZXFKQ-AWEZNQCLSA-N	355.394	2.326	10	10	FECE	
O=S1(=O)CCC[C@]12CCN(Cc1cc(Br)ccc1O)C2	708631932	MCEJWQUDYDLBMR-CQSZACIVSA-N	360.273	2.308	10	10	FECE	
COc1cc(NS(=O)(=O)c2cnn(-c3ccccn3)c2C)ccc1O	797819530	LAGJOFHIAKENKZ-UHFFFAOYSA-N	360.395	2.091	10	10	FECE	
CCN(CC)CC[C@H](CO)NC(=O)c1cc(C)n(-c2ccccn2)c1C	798267779	LUHXVXIFYMYQNZ-QGZVFWFLSA-N	358.486	2.312	10	10	FECE	
C[P@]1(=O)C[C@@H](O)[C@H](NCc2cc(Br)cc(F)c2O)C1	2121383109	GSAWSQMBRVMOSO-XCJKDKRRSA-N	352.140	2.119	10	10	FECE	
CN1CCc2cc(CN[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)ccc21	2126908370	VDOJIFIEUZQOAK-SJLPKXTDSA-N	361.486	2.139	10	10	FECE	
O=C(CC1(CC(=O)N2Cc3cccc(O)c3C2)CCCC1)N1CCOCC1	1261887526	KQLOIDAKWUQZAV-UHFFFAOYSA-N	372.465	2.434	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)=C[C@@H]1O	2131473383	FMXOZFKTYAETQG-MCIONIFRSA-N	365.434	2.262	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)c1c[nH]nc1-c1ccc2c(c1)OCCO2	1445903946	UUSNFTKWZNYRMQ-UHFFFAOYSA-N	367.361	2.189	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H](CO)[C@@H]1CCOC1	1295798269	JLWQQENNOVROSR-QAPCUYQASA-N	356.422	2.034	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CCO[C@@H](C)C1	1466398026	GQUUONNAZGWPBN-NWDGAFQWSA-N	355.818	2.362	10	10	FECE	
COc1cccc(CNC[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)c1O	2136617803	OXUWRUSIKGUPKH-IBGZPJMESA-N	366.458	2.252	10	10	FECE	
CC(C)n1ccnc1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	1625273005	BHKCTXHAGRBHJO-MRXNPFEDSA-N	369.469	2.096	10	10	FECE	
Cc1cccc([C@@H]2C(=O)NCCN2C(=O)c2ccc(N=NC(N)=O)cc2)c1	1646402346	GOCHHGVKRCTBCA-MRXNPFEDSA-N	365.393	2.471	10	10	FECE	
CC(C)(C)C(=O)Nc1nc(CC(=O)NCc2c(O)cccc2O)cs1	1652625717	JTKKOZVKXPLDLM-UHFFFAOYSA-N	363.439	2.398	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1ccc(=O)n(-c2cccc(F)c2)c1	1651225359	GTCVQAULFGMHAF-UHFFFAOYSA-N	354.337	2.318	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCO[C@H]1CCOC1	1597229221	WJAJQVMDUCQXLK-KRWDZBQOSA-N	356.422	2.442	10	10	FECE	
CC(=O)NCCCn1c(C)nnc1N(C)Cc1ccc(N2CCCC2)cc1	1760676207	HQXFTTGJEMKZMJ-UHFFFAOYSA-N	370.501	2.349	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCNC2)N2CCCCC2)cc1	1865975750	LWXJNRPSYSVFNI-QUCCMNQESA-N	358.530	2.395	10	10	FECE	
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)NCc1ccccc1O	1964892102	ZWMFVORNHVJASA-SWLSCSKDSA-N	350.415	2.033	10	10	FECE	
COC(=O)c1cnn(Cc2cc(C)ccc2O)c1I	2070364838	HWOYYHYAMXLQAC-UHFFFAOYSA-N	372.162	2.337	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](C)(CNC(=O)c2ccc(O)c(O)c2)C1	2054418729	WNYBSCAMVKJDBI-SFHVURJKSA-N	350.415	2.475	10	10	FECE	
CO[C@H](C(=O)NCCCN=[N+]=[N-])C1CCN(C(=O)OC(C)(C)C)CC1	2067704848	HCZRJLDJKTUGDE-ZDUSSCGKSA-N	355.439	2.465	10	10	FECE	
CCCS(=O)(=O)C[C@@H](C)NCc1cc(Br)ccc1O	2114180902	SVPHGZTWJFFWQL-SNVBAGLBSA-N	350.278	2.458	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])C1	2218735027	KYDHVFKUYDNTHH-HWWQOWPSSA-N	353.423	2.096	10	10	FECE	
CSc1ncc(CNS(=O)(=O)c2ccc(C(N)=S)s2)s1	2284725018	IWMHWNQVBWJWAR-UHFFFAOYSA-N	365.552	2.039	10	10	FECE	
CC(=O)NC1=NC(=O)C(=Cc2cn(C(C)=O)nc2-c2ccc(F)cc2)S1	2296740747	QCKYNIZEKGISDB-UHFFFAOYSA-N	372.381	2.456	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N1CCOc2ncccc21	2297783462	AEPJNSNMRRKKLG-UHFFFAOYSA-N	351.406	2.357	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N1CCN(CCc2ccccc2)CC1	2307982243	VMPSOXKQBLKCQL-UHFFFAOYSA-N	352.434	2.498	10	10	FECE	
Cc1nc(C)n(C[C@H]2CCCN(C(=O)C=Cc3ccc(O)c(O)c3)C2)n1	2308001599	WQEOLVRBKMHJGB-INIZCTEOSA-N	356.426	2.258	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@]1(CNC(=O)OC(C)(C)C)CCCOC1	2315992465	MOHQNYCQBTWWRJ-MRXNPFEDSA-N	355.439	2.467	10	10	FECE	
Cc1noc(C)c1CN1CCN(C(=O)CSc2nccs2)CC1	58277216	MXZKWWQKHBOBDO-UHFFFAOYSA-N	352.485	2.184	10	10	FECE	
CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/NCCc1c[nH]cn1	101771957	NAVHBOOZAWCLDD-UKTHLTGXSA-N	352.423	2.458	10	10	FECE	
COc1ccc(N2CCN(C(=O)CCCNC(=O)C(C)(C)C)CC2)cc1	55473149	GAHREFRTNYFFNG-UHFFFAOYSA-N	361.486	2.286	10	10	FECE	
Cc1ncnc(O)c1CCC(=O)NCc1cc(Br)ccc1O	1346770443	HUVXPLFBKGTMKY-UHFFFAOYSA-N	366.215	2.208	10	10	FECE	
Cc1cc(N2CCN(C(=O)NCc3ccc4c(c3)CCCN4C)CC2)n[nH]1	187081172	KQPCSXXTIACVAU-UHFFFAOYSA-N	368.485	2.132	10	10	FECE	
O=C(N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1cccc(O)c1O	366172124	PPEICSQBFRLGTH-ZDUSSCGKSA-N	368.368	2.240	10	10	FECE	
CN1CCC(CO)(NCc2cc(Cl)cc(Br)c2O)CC1	2380620874	WQSWVOIEONLOLL-UHFFFAOYSA-N	363.683	2.354	10	10	FECE	
C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1CCC(=O)Nc1ccc(N)cc1	2162934627	RLJAEMPEKVCSCR-SMDDNHRTSA-N	372.391	2.129	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N1[C@H]2CC[C@H]1[C@H](CO)C2	812006681	YLCAXXVRGNITHK-SZMVWBNQSA-N	361.511	2.295	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@H](N4CC=CC4)C3)C2)cc1	824692980	ITIVERNHHXVWCB-MJGOQNOKSA-N	370.497	2.177	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)N[C@@H](C)c3ccccc3)C2)cc1	826594508	MBCCUXWVKPZINN-RDJZCZTQSA-N	367.449	2.268	10	10	FECE	
COC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1	837815984	BBZXYWOBOIBSTM-GOSISDBHSA-N	361.486	2.481	10	10	FECE	
Cc1nsc(C)c1COC(=O)c1cc(NS(C)(=O)=O)ccc1O	848709737	UYXJLWWSOYQUHO-UHFFFAOYSA-N	356.425	2.194	10	10	FECE	
CC(C)[C@@H](C)CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	740473368	LSWZIRHXLMDEKE-DOTOQJQBSA-N	360.502	2.480	10	10	FECE	
Nc1ccc(NC(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)cc1	841300631	YFJQBJHTMAVQSB-CZUORRHYSA-N	366.421	2.310	10	10	FECE	
O=C(NCc1c(O)cccc1F)NC1CCN([C@H]2CCCC[C@@H]2O)CC1	921534201	VAWAHLIWPKDLAS-WMZOPIPTSA-N	365.449	2.098	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)c3nnc(C)s3)C2)cc1	852252424	GVFYQOMGMVINMI-WCQYABFASA-N	361.471	2.494	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc(-n4ccnc4)nc3)C2)cc1	855232805	UTWYKUDRFZCQHO-INIZCTEOSA-N	363.421	2.285	10	10	FECE	
CCC(=O)N1CCc2cc(C(=O)COC(=O)c3cccc(O)c3O)ccc21	758556062	DEQSLSJLOIMVEE-UHFFFAOYSA-N	369.373	2.437	10	10	FECE	
Cc1cc(CC(=O)N2C[C@@H](O)C[C@@H](O)C2)c(C)n1-c1ccc(Cl)cc1	755433447	SLVOQHDRBCAXSP-HDICACEKSA-N	362.857	2.244	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCN(CC(F)(F)F)C3)C2)cc1	855223354	FYMWVFYEHJKRDY-KBPBESRZSA-N	371.403	2.274	10	10	FECE	
O=C(COCc1ccnc(O)c1)NCc1ccc(N2CCSCC2)cc1	858590449	XNJBNEBLOYJKHJ-UHFFFAOYSA-N	373.478	2.173	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNc3cc(CO)c(F)cn3)cc2)C1	853220495	ZSZHIXKAYSITFY-CQSZACIVSA-N	358.417	2.027	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCCN3C(=O)C(C)C)C2)cc1	855229065	HEVAQZWGTBBPGT-QAPCUYQASA-N	359.470	2.037	10	10	FECE	
Cc1cc(O)c(CN[C@@H]2CCN(c3ccc4nncn4n3)C2)cc1Cl	862481410	GFMVPRRNRIIVGA-CYBMUJFWSA-N	358.833	2.160	10	10	FECE	
C[C@H](NC(=O)NC[C@@H](N1CCOCC1)C(F)(F)F)c1ccccc1O	868604675	WANGGEOWVLHLEP-SMDDNHRTSA-N	361.364	2.016	10	10	FECE	
Cc1ccc(C(=O)N[C@H]2C[C@H](C(N)=O)C2)cc1-n1c(C)cc(C=O)c1C	862816640	MCUOLODNIMVIAR-JCNLHEQBSA-N	353.422	2.209	10	10	FECE	
COC[C@H](C)NC(=O)Cc1noc(-c2ccc(-n3cccc3)c(F)c2)n1	771056090	FMPIXJCJEKPOBO-LBPRGKRZSA-N	358.373	2.360	10	10	FECE	
CN1C(=O)C(=Cc2ccc3ccc(Br)cc3n2)C(=O)N(C)C1=O	771518943	BDPCJMXYRKMLOU-UHFFFAOYSA-N	374.194	2.431	10	10	FECE	
CN1CC[C@H](NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1(C)C	886324958	NUHRTNZTVNOSKS-SFHVURJKSA-N	358.530	2.351	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3CC(F)(F)C[C@@H]3CO)CC2)cc1	780387815	TWMINTGECNQSAY-OAHLLOKOSA-N	369.412	2.076	10	10	FECE	
CN(Cc1cc(Cl)cc(Br)c1O)C1CS(=O)(=O)C1	895399137	KFZWKKSMNZOBPA-UHFFFAOYSA-N	354.653	2.037	10	10	FECE	
NCc1ccc(N2CC[C@@]3(CCCS3(=O)=O)C2)cc1Br	709575931	ROJBVGGYEYLIAM-AWEZNQCLSA-N	359.289	2.065	10	10	FECE	
CCOC(=O)C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1cccc(OC)c1	1141913353	HRADHANTQNYLOX-INIZCTEOSA-N	373.405	2.460	10	10	FECE	
COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1c(O)ccc(Cl)c1F	792172167	BYXVRRQTZCTVDX-OXHZDVMGSA-N	371.792	2.110	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H](CCNC(=O)Nc2ccc(N)cc2)C1	2124753191	VOFHEMMPFNVPND-HNNXBMFYSA-N	364.446	2.416	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](C)(NC(=O)c2cc(O)c(O)c(O)c2)C1	2132413466	NHVFYLDDCJFEDS-SFHVURJKSA-N	366.414	2.323	10	10	FECE	
Cc1ccc(CN2C[C@H](C(=O)NCc3cccc(O)c3O)CC2=O)cc1	1350300704	WYGLHYXBNQQFTO-MRXNPFEDSA-N	354.406	2.071	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1Cc1ccc(C)n(C)c1=O	1513793707	HYOPUDFXCOJTDO-UHFFFAOYSA-N	367.453	2.238	10	10	FECE	
CC[C@@H]1C(=O)NCCN1C(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2	1456177098	AVYJTHPTRBDHGB-QGZVFWFLSA-N	369.465	2.266	10	10	FECE	
Cc1ccc([C@H](CN2CCOCC2)NC(=O)Cc2ccc(O)c(O)c2)cc1	1540474724	DANHKUPXNFGMDA-SFHVURJKSA-N	370.449	2.138	10	10	FECE	
COc1ccc(N2CCC(NC(=O)c3cc4n(n3)CCC[C@H]4O)CC2)cc1	1542704283	XNUFIOKXINSADJ-LJQANCHMSA-N	370.453	2.118	10	10	FECE	
Cn1ccnc1[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1F	1623883710	YIFAAILQQOYKMF-GOSISDBHSA-N	355.369	2.419	10	10	FECE	
Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)Cc3ccc(O)c(O)c3)n2)c1	1556415292	OWEAVJBLQVSAPN-NSHDSACASA-N	353.382	2.006	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1c(Br)nc2n1CCCC2	1633598980	JTNJMZPEFHCGTB-UHFFFAOYSA-N	366.215	2.323	10	10	FECE	
CN(C(=O)CSCC(=O)NCc1cc(O)ccc1O)C1CCCCC1	1637122391	FBLGEGOKYVFQSY-UHFFFAOYSA-N	366.483	2.238	10	10	FECE	
Cc1cccc(CNC(=O)[C@]2(C)COC[C@H]2NC(=O)OC(C)(C)C)c1O	2139743142	ZOJLPYCUDLIAOD-AUUYWEPGSA-N	364.442	2.247	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccccc3-n3cnnc3)CC2)cc1	1873831469	NVXSQYWBVSLGSA-UHFFFAOYSA-N	363.421	2.238	10	10	FECE	
CC(C)(C)OC(=O)NC1(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)CC(CO)C1	1879575911	LZECJFWRBRZFKS-SFYCDEOASA-N	367.450	2.201	10	10	FECE	
C[C@@H](COCCNC(=O)OC(C)(C)C)NCCc1ccc(O)c(O)c1	2031079862	ULQRWHDMQNAGLC-ZDUSSCGKSA-N	354.447	2.160	10	10	FECE	
CNCc1ccc(N2C[C@H](C)S(=O)(=O)[C@H](C)C2)cc1Br	400846436	AYTMMOAEJISSKF-PHIMTYICSA-N	361.305	2.180	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C2CN(CCC(=O)Nc3ccc(N)cc3)C2)C1	2196642083	RBDCVECRRUOJBB-UHFFFAOYSA-N	374.485	2.396	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)CC[C@H]1C1CC1	2049784883	SBJOWTDVQWMYCP-MXAVVETBSA-N	350.459	2.430	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N[C@H](C)c1c(O)cccc1O	2058679588	JKVBAIBZKXNPMW-LALPHHSUSA-N	352.431	2.383	10	10	FECE	
CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CC[C@H](N=[N+]=[N-])C1	2060617958	UCEZROQRJXSHGU-RWMBFGLXSA-N	353.423	2.170	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)NCC2(CN=[N+]=[N-])CC2)N(C(=O)OC(C)(C)C)C1	2060613466	RLKPXLLQHOIUGM-VXGBXAGGSA-N	353.423	2.218	10	10	FECE	
CN1C[C@@H](O)[C@H](N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)C1	2106606348	NOOVXYGDLVMLPI-QZTJIDSGSA-N	361.486	2.139	10	10	FECE	
CCN1CCc2cc([C@@H](N)[C@@H](O)C3CN(C(=O)OC(C)(C)C)C3)ccc21	2106859628	LKVUBOZFNIGZEN-MSOLQXFVSA-N	361.486	2.297	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N[C@@H]3CCC[C@@H]3N=[N+]=[N-])[C@@H]2C1	2225797078	CYPNQJJYNSGZPQ-HPCHECBXSA-N	365.434	2.216	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2225794490	GIEFWKPNRAWPGE-AGIUHOORSA-N	363.422	2.193	10	10	FECE	
CC(C)(C)OC(=O)N1CCN2CCOC[C@]2(CNc2ccc(N)cc2)C1	2272555094	NLDISQHHPDXIJS-IBGZPJMESA-N	362.474	2.002	10	10	FECE	
CC[C@@H](C)N1C(=O)C(=CNc2ccc(OC)cc2OC)C(=O)NC1=S	2296157168	OVYZULXQLZEVAG-SNVBAGLBSA-N	363.439	2.041	10	10	FECE	
CCOc1cc(C=C2SC(=S)N(CCNC(C)=O)C2=O)ccc1O	2323719529	BUCKVZJEQBBRBS-UHFFFAOYSA-N	366.464	2.128	10	10	FECE	
COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(\C)NCc1cccnc1	101771539	XMPXXCUXWFOKQB-XMHGGMMESA-N	364.405	2.411	10	10	FECE	
C[C@H](c1ccc(N2CCOCC2)cc1)n1c(=O)[nH]c2ccccc2c1=O	68463108	SYRPEBULNHFYMN-CQSZACIVSA-N	351.406	2.136	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](C)c3nc(C)cs3)nc12	184151367	IJLHMNQOCYZZNM-JTQLQIEISA-N	361.427	2.227	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCCCOC[C@@H]1CCOC1	124768639	UCRVXTCTEQJTKO-QTWIXLPOSA-N	374.481	2.096	10	10	FECE	
O=C(CSc1nccs1)NC1CCN(C(=O)c2ccco2)CC1	47297401	MSRMBEHQPHIXFS-UHFFFAOYSA-N	351.453	2.249	10	10	FECE	
COC(C)(C)CCS(=O)(=O)N(C)Cc1ccc(N2CCOCC2)cc1	195338370	QFKYNVMGOLEFMU-UHFFFAOYSA-N	370.515	2.100	10	10	FECE	
Cc1ccc(OCC(=O)N2CCN(c3ccc4c(c3)OCO4)CC2)cc1	242594282	CITIRBNBPINXIH-UHFFFAOYSA-N	354.406	2.451	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)NCc1ccc(CO)c(F)c1	255516636	BNKPYEVRIBBMGO-YWEYNIOJSA-N	370.424	2.484	10	10	FECE	
C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C1(S(C)(=O)=O)CC1	805789774	KOHXTIOFXVYWAJ-LBPRGKRZSA-N	366.483	2.036	10	10	FECE	
CN(C(=O)CN1CC[C@]2(CCN2C(=O)OC(C)(C)C)C1)c1ccc(N)cc1	2163036733	SQJIJJUPBHKCON-FQEVSTJZSA-N	374.485	2.317	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCCN(C(=O)OCC)C1	808094087	AIAVUYWTTUPEIP-CYBMUJFWSA-N	355.431	2.363	10	10	FECE	
Nc1nc(C2CC2)ncc1C(=O)NCc1cc(Br)ccc1O	807739336	LQTNBNGJNNXKEB-UHFFFAOYSA-N	363.215	2.334	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N(C)C3C[C@@H]4CC[C@H](C3)N4)C2)cc1	818655267	JXWPYAATCPPDJY-IAZCMVOBSA-N	372.513	2.446	10	10	FECE	
C[C@H]1CN(CC(F)(F)F)CCN(C(=O)c2c(F)ccc(O)c2O)C1	839789342	UHRWHFQZVZJYRW-VIFPVBQESA-N	350.312	2.193	10	10	FECE	
COC(=O)/C(C)=C/CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	914401000	ZEDXBUWZOYNOML-UJMHRVFCSA-N	361.442	2.003	10	10	FECE	
CC[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1CCCCO1	848934223	KOCDIPXKDLTLAH-RBUKOAKNSA-N	371.481	2.143	10	10	FECE	
CC(C)n1c(S)nnc1CCNC(=O)NCc1c(O)cccc1F	923211831	KCCUVQGOYMKUAU-UHFFFAOYSA-N	353.423	2.034	10	10	FECE	
COC(=O)c1[nH]c(C)c(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1C	855233885	ONQKQTRNYWLWDP-CQSZACIVSA-N	371.437	2.435	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCc2ccnn2C)cc1	858384951	HLIDOUOLBQYIHC-UHFFFAOYSA-N	350.422	2.499	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1nnc(O)n1C	926140170	HSTCUYGIBNHWQP-ZDUSSCGKSA-N	360.462	2.268	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)NC(=O)c3cccs3)C2)cc1	855228632	FPNKHGCBXMJNJH-KGLIPLIRSA-N	373.478	2.270	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3CCc4nccnc4C3)C2)cc1	852386445	GBQCNRHZTOBAKU-OAHLLOKOSA-N	367.453	2.079	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@@H]5OC)C2)cc1	854297933	TWADUVCWJBLEGW-JKAPWZSASA-N	371.481	2.339	10	10	FECE	
CC(C)(N)c1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)on1	852882572	LMBCTJVEFWMRLB-CQSZACIVSA-N	359.426	2.395	10	10	FECE	
CCCN(C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CCN(C)C1	854296117	GTNDAMSOGTZNSW-WMZOPIPTSA-N	360.502	2.400	10	10	FECE	
COc1cccc([C@H]2CN(Cc3cc4c(cc3O)OC[C@H]4O)CCO2)c1	768462510	MDHPGTMUJADKGM-UYAOXDASSA-N	357.406	2.400	10	10	FECE	
CN(CCN1CCCS1(=O)=O)Cc1cc(Cl)cc(Cl)c1O	769557706	PKDAPSAHVFZDNM-UHFFFAOYSA-N	353.271	2.166	10	10	FECE	
O=C(COC(=O)c1cccc(OCC(F)(F)F)n1)c1ccc(O)c(O)c1	783765900	UOIBEUSGTOHTPG-UHFFFAOYSA-N	371.267	2.474	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(CN2CCOCC2)cn1	798153541	ZHIWLCHDDFXGKD-UHFFFAOYSA-N	368.481	2.252	10	10	FECE	
COCCOC(=O)C[C@@H](CNC(=O)c1cccc(O)c1O)CC(C)C	1300021462	XNNQZAFFKXJOJP-ZDUSSCGKSA-N	353.415	2.070	10	10	FECE	
Cc1nc2c(s1)[C@@H](NC(=O)C(=O)N(C)Cc1ccccc1O)CCC2	1323924863	NJMQGBKBOWJLDJ-AWEZNQCLSA-N	359.451	2.309	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1C(F)F	2118175234	FEMOYFYIMZWZSY-MNOVXSKESA-N	372.368	2.328	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc3c(c2)CCCO3)[C@H](O)C1	1621039119	UQNBCNDRZACDKV-IAGOWNOFSA-N	362.470	2.472	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(C(=O)NCc2c(O)cccc2O)CC1	1456236331	RLIJOYOEXZLUOA-UHFFFAOYSA-N	350.415	2.361	10	10	FECE	
O=C(CCCCN1C(=O)c2ccccc2C1=O)NCc1cc(O)ccc1O	1637126239	PLSWMOSQSOPBIH-UHFFFAOYSA-N	368.389	2.181	10	10	FECE	
Cc1cc(C(=O)N2CC(O)(c3ccnn3C)C2)c(C)n1-c1ccc(F)cc1	1643412144	WBXSGEJOMGTTBK-UHFFFAOYSA-N	368.412	2.310	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN3C[C@H]4CCC[C@H]3C4)CC2)cc1	1648551371	XEYAYQJMHQAREG-YSIASYRMSA-N	359.514	2.053	10	10	FECE	
Nc1nc(Cl)c(N)c(NCc2cc(F)c(N3CCOCC3)c(F)c2)n1	1642775082	CFGJEORHHSGAAM-UHFFFAOYSA-N	370.791	2.021	10	10	FECE	
NC(=O)C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1Cl	1587440248	BCTZVMYRDRVIIV-IQCBXXCUSA-N	360.797	2.497	10	10	FECE	
COc1ccc(N2CCC(NC(=O)NCC[C@H](C)[S@@](C)=O)CC2)cc1	165794004	UAHKITBKKDKBAO-SXBQZSJRSA-N	367.515	2.120	10	10	FECE	
CCCN(CCC(=O)OCC)C(=O)CNCc1cccc(OCC)c1O	1857866801	DDUXFNNSFGZUNU-UHFFFAOYSA-N	366.458	2.072	10	10	FECE	
COC1(OC)CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1	1882307118	RBCJPCLIZDXDEP-UHFFFAOYSA-N	363.458	2.371	10	10	FECE	
O=C(NC[C@]12CN(Cc3ccccc3)C[C@@H]1CCO2)c1cccc(O)c1O	2175196531	CVTONKBAVABUKH-KKSFZXQISA-N	368.433	2.119	10	10	FECE	
CO[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CN=[N+]=[N-])CC1	2060619865	RYVVRNKDVXYVDE-WCQYABFASA-N	355.439	2.464	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060610015	CJNUYXQGQQIJLF-YNEHKIRRSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)N1CCC(N=[N+]=[N-])CC1	2060608341	GLAWUCAZVDLOBU-INIZCTEOSA-N	353.423	2.050	10	10	FECE	
CN(CC(=O)Nc1ccc(N)cc1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21	2106745027	LZISPNXENLJVRP-QLPKVWCKSA-N	360.458	2.004	10	10	FECE	
COCCCN1C(=O)C(=Cc2ccc(O)c(OC)c2)C(C(=O)OC)=C1C	2294028615	ZRNDXMMGJCUUJB-UHFFFAOYSA-N	361.394	2.110	10	10	FECE	
O=C(O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccccc2Cl)SC1=S	2296883009	IZCZHZNSDOWIGX-VIFPVBQESA-N	371.823	2.469	10	10	FECE	
COc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OC)c3)C2=O)cc1	2297301742	ANSYEORLDWLYJU-UHFFFAOYSA-N	352.346	2.370	10	10	FECE	
CN(C)c1ccc(C=C2C(=O)NC(=O)N(c3ccccc3O)C2=O)cc1	2297450211	HYEXRLOGSDUECS-UHFFFAOYSA-N	351.362	2.125	10	10	FECE	
C[C@H](N[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)c1ccc(O)cc1O	2330888214	SOGRHOOXQKHIDU-MQVNZCODSA-N	364.442	2.383	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C1CCN(C(=O)c2ccccn2)CC1	175506445	SUVXALKEXLPQLZ-UHFFFAOYSA-N	353.422	2.298	10	10	FECE	
COC(=O)c1ccc2c(n1)CN(C(=O)NCc1ccc(N(C)C)cc1)CC2	1346085479	FUVSIGZKEBDIJI-UHFFFAOYSA-N	368.437	2.202	10	10	FECE	
CC[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CCN1CCOC	117486901	LDPLUVNOVNMYJI-LJQANCHMSA-N	374.529	2.321	10	10	FECE	
COCCN1CCCN(Cc2c(O)ccc3ccc(OC)cc23)CC1=O	189294255	HKIQEQMOLMWSIR-UHFFFAOYSA-N	358.438	2.235	10	10	FECE	
COc1ccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(O)c1	93608176	FWRSWKBVPFRTNG-UHFFFAOYSA-N	371.393	2.267	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc(NC(C)C)nn3)CC2)cc1	243460772	NGYMWZUVGFVKDY-UHFFFAOYSA-N	355.442	2.268	10	10	FECE	
COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])c(OC)c1O	278382453	LXYPWWXJUVOSGW-JKOKRWQUSA-N	350.371	2.083	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)N[C@H](C)C(F)(F)F)CC2)cc1	287137306	HFMMXKRDHSGHNB-CYBMUJFWSA-N	374.407	2.067	10	10	FECE	
Cc1noc(C)c1NC(=O)C(=O)NCc1cc(Br)ccc1O	807387629	PVMAUSLSMWUWDM-UHFFFAOYSA-N	368.187	2.014	10	10	FECE	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1sccc1F	815065631	JRUSROSPZJKUDN-UHFFFAOYSA-N	368.455	2.052	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@H](NCc1ccc(N3CCN(C)CC3)cc1)C2	818238603	YRJRIQLVBOSLCF-SXLOBPIMSA-N	372.513	2.147	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCC[C@H]4C[C@H]43)CC2)cc1	824285486	KPKBXOUYKBWKOH-PWIZWCRZSA-N	357.498	2.370	10	10	FECE	
Cc1cc(C(=O)CN2CC[C@@H](O)[C@H]2C)c(C)n1-c1ccc2c(c1)OCO2	832220495	XCSFYPIHQUZBIT-RHSMWYFYSA-N	356.422	2.461	10	10	FECE	
c1ccc(CNCc2cn(Cc3ccc(N4CCOCC4)cc3)nn2)cc1	900601990	QZUACXTZFYZRKP-UHFFFAOYSA-N	363.465	2.453	10	10	FECE	
COC(=O)c1cn([C@@H]2CCN(C/C=C/c3ccc(N(C)C)cc3)C2)nn1	835044386	BQDXTRQJQBRYHG-LAQIPUCWSA-N	355.442	2.091	10	10	FECE	
COc1cc(Br)cc([C@H](C)NCCN2CCCC2=O)c1O	848556129	NOFRVCFGMHEEBD-JTQLQIEISA-N	357.248	2.436	10	10	FECE	
COc1cc(Br)cc([C@H](C)N[C@@H](C)C(=O)NCCF)c1O	848548916	MCZHKJIETGHDQJ-IUCAKERBSA-N	363.227	2.288	10	10	FECE	
COc1ccc(N(C)[C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)cc1OC	851735279	RGXNGOJOWMULPP-AWEZNQCLSA-N	364.442	2.083	10	10	FECE	
C[C@@H](NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1cnnn1C	925676472	JZUMWWMQTGHEQD-MRXNPFEDSA-N	354.502	2.198	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCCN(C)CC(F)(F)F)C2)cc1	852094761	OPIIQSUVVSSEOO-CYBMUJFWSA-N	374.407	2.067	10	10	FECE	
COC[C@H](NC(=O)NCCCSc1nccs1)C1CCOCC1	853856052	PKUGGWNEPODZCZ-ZDUSSCGKSA-N	359.517	2.366	10	10	FECE	
C[C@]1(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1(F)F	852580113	FMPJSWQDLATMRJ-QGZVFWFLSA-N	353.413	2.492	10	10	FECE	
CC(C)(O)C[C@H](O)CNC1CCN(c2ccc(OC(F)F)cc2)CC1	872199601	IMNSPGSMBMRIMH-HNNXBMFYSA-N	358.429	2.368	10	10	FECE	
Cc1cc(Br)cc(CN2CCN3C(=O)OCC[C@H]3C2)c1O	775744001	ISLLELLDNVEWTI-ZDUSSCGKSA-N	355.232	2.490	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)OC)c1	1137473640	PYYPHTZUHUMFLX-NHYWBVRUSA-N	368.430	2.118	10	10	FECE	
CC[C@H](NC(=O)C(=O)NCCCSc1nccs1)[C@H]1CCCOC1	897730832	SVKOYEIVAIEINN-STQMWFEESA-N	371.528	2.063	10	10	FECE	
O=C(Cn1nnnc1-c1ccccc1)NCc1c(O)ccc2c1CCCC2	1150387726	RCZWRHNNUIJBJX-UHFFFAOYSA-N	363.421	2.241	10	10	FECE	
Cn1cc(C(=O)N2CCC(N=[N+]=[N-])CC2)c(CNC(=O)OC(C)(C)C)n1	2124541947	YGLVYVIBWHMGTJ-UHFFFAOYSA-N	363.422	2.360	10	10	FECE	
Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)NCc1c(O)cccc1F	1178409533	FXDLMEXLUMLAKX-SXGWCWSVSA-N	371.347	2.280	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1C[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	2124263575	ZDYOWVGBQHFPIA-YUTCNCBUSA-N	364.442	2.306	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@H]3CC[C@H]2OC3)cc1	1333263306	CVNAHLUOJYHOTN-QXAKKESOSA-N	373.497	2.223	10	10	FECE	
COc1ccc(CN[C@@H](C[C@@H]2CCCOC2)C(=O)O)cc1Cn1cccn1	1262158507	NKZUOIKSBUJZED-WMZOPIPTSA-N	373.453	2.300	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC1C[C@H]2[C@H](C1)C2(F)F	1350679184	FWPYYWKJCOMPJU-HOTGVXAUSA-N	363.408	2.063	10	10	FECE	
COc1ccc(C)cc1N1C[C@H](C(=O)NCc2cccc(O)c2O)CC1=O	1520501810	PAVVBLYQUOYGNZ-CQSZACIVSA-N	370.405	2.084	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@@](C)(O)[C@H](N)c1ccccc1O	1920086217	MXCCYKGOQXVMQU-URKNILKWSA-N	366.458	2.169	10	10	FECE	
CC1=CCN(C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1	2136241337	XTOJVZFYPUUGQN-AWEZNQCLSA-N	362.426	2.322	10	10	FECE	
O=C(Nc1ccc(N2N=C(C3CC3)CC2=O)nc1)c1cccc(O)c1O	1629940948	KYEQTMKJPDTPJR-UHFFFAOYSA-N	352.350	2.248	10	10	FECE	
Cn1cc(Br)c(C(=O)NCc2ccc3cccnc3c2O)n1	1638573098	IXJPMHHJXPLXAV-UHFFFAOYSA-N	361.199	2.366	10	10	FECE	
CCc1nnc(N2CC[C@H](OC)C2)n1Cc1ccc2c(c1)CCCN2C	1499247401	WWQJWBJGHXLTFO-KRWDZBQOSA-N	355.486	2.496	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)c1cccc(N2CCNC2=O)c1	1639621719	QHHRNORDJMBIDS-UHFFFAOYSA-N	362.389	2.400	10	10	FECE	
O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1c(F)ccc(O)c1O	1641122009	JHXPCWMBNCFIHA-UHFFFAOYSA-N	366.370	2.029	10	10	FECE	
CC[C@@H](C)[C@H](C(=O)OC)N1CCN(c2ccc(OC)cc2OC)CC1	1655379077	ZCGCLEVYVBOQEK-RDTXWAMCSA-N	350.459	2.414	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1CCCCN1CCOCC1	1742754601	QDTSVDHZDAHNJT-UHFFFAOYSA-N	359.474	2.041	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H](CCN(C)C)NC(=O)OC(C)(C)C)c1O	2139759364	XKITXYHNDVJMSX-OAHLLOKOSA-N	365.474	2.162	10	10	FECE	
C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)CC1=O	157821765	CYUZBAIRNXLOGN-YOEHRIQHSA-N	368.433	2.366	10	10	FECE	
Cc1cccc(CNCC2(CCO)CN(C(=O)OC(C)(C)C)C2)c1O	1972801540	YQOKCTZHNPXMPI-UHFFFAOYSA-N	350.459	2.410	10	10	FECE	
CN(C(=O)CN(C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(N)cc1	381887352	PNLYPDOIVOEBHX-HXUWFJFHSA-N	352.482	2.438	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](OCCNCc2ccc(O)c(O)c2)C1	2046754215	LJQLZGFLEAXMNR-AWEZNQCLSA-N	352.431	2.213	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1ccc(O)c(O)c1)C(F)(F)F	2054401022	LNLFJOVDJHRDOA-NSHDSACASA-N	364.320	2.283	10	10	FECE	
CC(C)(C)OC(=O)N[C@@](C)(CC(F)(F)F)C(=O)C(=O)C[C@H]1C[C@H](N)C1	2054755819	XKRQZLHIZWNFDI-YHAQOWFVSA-N	366.380	2.488	10	10	FECE	
C[C@H](N=c1[nH]ccnc1I)c1c(O)cccc1O	2057936389	AHZHZLLCJUUDKE-ZETCQYMHSA-N	357.151	2.087	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(C(=O)NCCN=[N+]=[N-])no1	2060620113	WLVHWFJMNOGFGM-VIFPVBQESA-N	351.367	2.182	10	10	FECE	
C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2060632746	FKJILXUTCJBDAC-RWMBFGLXSA-N	355.439	2.200	10	10	FECE	
CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CC[C@H](N=[N+]=[N-])C1	2063955077	SNWDPJLAAFRLKR-YNEHKIRRSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)NCCCCN=[N+]=[N-])C[C@H](O)C1(C)C	2073245162	FPKCSIJUYZEOQA-MEDUHNTESA-N	355.439	2.247	10	10	FECE	
COc1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1	100986997	YUMXTNTUNSJUAB-WJDWOHSUSA-N	367.361	2.283	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCC[C@H](N=[N+]=[N-])C3)CO[C@H]1C2	2266155195	COBHLXSPUZIEEB-LKQDWFRTSA-N	365.434	2.360	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])CO1	2218742739	HITGUMZWTYGBAO-VOAKCMCISA-N	353.423	2.358	10	10	FECE	
CN(Cc1nn(C)nc1Br)c1cc(Cl)c(CN)cc1F	2235286640	ZPPGAUADIIVOHU-UHFFFAOYSA-N	362.634	2.465	10	10	FECE	
CC(C)(C)OC(=O)NC12COC(C(=O)N3CCC[C@H]3CN=[N+]=[N-])(C1)C2	2254810513	KHOFZQWLIZLSKL-SOISORPOSA-N	351.407	2.114	10	10	FECE	
C[C@H]1O[C@]2(C(=O)N3CC[C@H](CN=[N+]=[N-])C3)C[C@@]1(NC(=O)OC(C)(C)C)C2	2266071095	VBGHIJVUPLFMPF-YLGOIMDESA-N	365.434	2.360	10	10	FECE	
COc1ccc(O)c(CN[C@@]23CO[C@@H](C2)[C@@H](NC(=O)OC(C)(C)C)C3)c1	2266447279	CIAFSUOYTYNPRD-URLQWDBASA-N	364.442	2.315	10	10	FECE	
O=C(NN1C(=O)C(=Cc2ccccn2)SC1=S)c1cccc(O)c1	2296881810	BIZGNVPCNDASCW-UHFFFAOYSA-N	357.416	2.333	10	10	FECE	
CCOC(=O)[C@H]1CCCN(C(=O)C=Cc2ccc(N3CCOCC3)cc2)C1	2300751617	DOIZZWNOWUFOKD-SFHVURJKSA-N	372.465	2.338	10	10	FECE	
CCCCn1c(N)c(N(CC)C(=O)C=Cc2cncc(C)c2)c(O)nc1=O	2302343831	GRLSYZRTXPMBBN-UHFFFAOYSA-N	371.441	2.101	10	10	FECE	
CC[C@H](C(=O)O)N1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2O)SC1=S	2314928680	ADJXJOAEUJLMIJ-SECBINFHSA-N	368.392	2.365	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1	2315985981	ACWUOFFJUPQMFW-GFCCVEGCSA-N	353.423	2.314	10	10	FECE	
O=C1CN(c2ccc(CNC(=O)c3ccc(-n4cccc4)cc3)cc2)CCN1	106264103	FVIGBTAFMBIBKC-UHFFFAOYSA-N	374.444	2.344	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2ccc(-n3cnnn3)cc2Cl)cc1	103737976	XYEULXYMZISCPO-UHFFFAOYSA-N	356.817	2.312	10	10	FECE	
C[C@@H]1CN(Cc2cccc(Br)c2O)C[C@@H]1N1CCOCC1	180231344	VABBIJHXLARSKF-DOMZBBRYSA-N	355.276	2.307	10	10	FECE	
O=C1C[C@@H]([C@H]2CCCCN2Cc2cc(Cl)cc([N+](=O)[O-])c2O)CN1	92104994	GGZSNRZLMUMQLS-ZWNOBZJWSA-N	353.806	2.444	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cn4nc(Cl)ccc4n3)CC2)cc1	97138911	SLMDODBIMSAHEO-UHFFFAOYSA-N	371.828	2.354	10	10	FECE	
CCOc1ccc(O)c(CN2C[C@H](C(=O)NCCOC)CC[C@@H]2C)c1	271115800	BOVLQJNXONOCGB-LSDHHAIUSA-N	350.459	2.154	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)NC[C@@H](O)[C@H]2CCCO2)CCCC1	628597530	QSJFQUAZNYYGPE-WOJBJXKFSA-N	372.465	2.185	10	10	FECE	
COC[C@@H]1CN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC(C)(C)O1	284879464	FGIXOYSTRJKWSC-AIADIJKESA-N	374.481	2.189	10	10	FECE	
Oc1ccc(Br)cc1CNc1ccnc(N2CCOCC2)n1	804828161	UBSCZGAGQFQPLP-UHFFFAOYSA-N	365.231	2.393	10	10	FECE	
Cc1cc(CN2CCN(c3ccc(/C=C\C(=O)O)cc3[N+](=O)[O-])CC2)on1	813282642	VDPCCPIVOYJTFJ-HYXAFXHYSA-N	372.381	2.311	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC[C@H](O)CC3CCCC3)cc2)C1	818967857	DDPLOVBOIKYBOD-AZUAARDMSA-N	359.514	2.419	10	10	FECE	
CCOC(=O)[C@@H]1CN(Cc2ccc(N3CCC(OC)CC3)cc2)CCO1	827877337	FYMADFZSMPRCMA-IBGZPJMESA-N	362.470	2.066	10	10	FECE	
COc1ccc(O)c(CNC(=O)CC2(NC(=O)OC(C)(C)C)CC2)c1	830544742	TXPQSYQVXCXINJ-UHFFFAOYSA-N	350.415	2.464	10	10	FECE	
Cc1nn(C)c(Cl)c1S(=O)(=O)NCCCSc1nccs1	733900469	ZEAVUHMHCYYWLQ-UHFFFAOYSA-N	366.921	2.299	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H]3CCn4ccnc43)CC2)cc1F	836516472	JYDDGUMFRUIZCE-HNNXBMFYSA-N	359.405	2.007	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)NC(=O)COC(C)(C)C)c1	845832720	GJHYRENUDDRGSI-GFCCVEGCSA-N	366.458	2.288	10	10	FECE	
C[C@@H](NC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1)c1ccc(N(C)C)cc1	852261932	WMOYIELWSPHDSN-PBHICJAKSA-N	361.490	2.211	10	10	FECE	
CCCc1[nH]nc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1[N+](=O)[O-]	855229587	BCRZVLJAHQCCJU-GFCCVEGCSA-N	373.413	2.288	10	10	FECE	
CN(C)c1ccc([C@@H](N)CNC(=O)c2cc3c(cc2Cl)NC(=O)C3)cc1	1339844571	BJACSXNBDDNCHR-INIZCTEOSA-N	372.856	2.330	10	10	FECE	
O=C(CNC(=O)c1ccsc1)NCc1cccc(Br)c1O	765731541	JMAKNKSXGADVRN-UHFFFAOYSA-N	369.240	2.262	10	10	FECE	
C[C@H]1CN(CCNC(=O)c2cc3cc(O)c(O)cc3s2)[C@@H](C)CO1	898668706	JTEKLIDNPDIILP-QWRGUYRKSA-N	350.440	2.152	10	10	FECE	
COc1ccc(CNC(=O)C(=O)Nc2cccc(N(C)C)c2C)c(O)c1	797389675	SPMPJJFGAZYVNI-UHFFFAOYSA-N	357.410	2.030	10	10	FECE	
CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)NCc1ccccc1O	1150536957	VTJUFDTWJVASSI-OAHLLOKOSA-N	358.398	2.224	10	10	FECE	
CCOCCn1c(C)nnc1N1CCCN(c2ccc(OC)cc2)CC1	1314480216	RTFWQXWMEQLHMK-UHFFFAOYSA-N	359.474	2.348	10	10	FECE	
C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](F)C(=O)NCCc1ccc(O)c(O)c1	2124286705	QICUHFDYIROLJI-XHDPSFHLSA-N	370.421	2.255	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CCC(=O)NCc2cccc(O)c2O)C1	1350300511	SCZIZQGTAWSQGF-UHFFFAOYSA-N	350.415	2.361	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N(C)c2cccnc2N2CCCC2)c1	1514903334	XVZPOYZLDRWHQA-FPLPWBNLSA-N	365.437	2.113	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2ccccc2Cn2ccnn2)cc1F	1527014409	ZXMDSUXTYGVKMO-UHFFFAOYSA-N	353.401	2.462	10	10	FECE	
CCOCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H](C1CC1)N(C)C	1548086001	UXATWBZERSIAQJ-KRWDZBQOSA-N	373.501	2.497	10	10	FECE	
CCCOC(=O)c1ccc(NC(=O)/C(=C/C2=S=CC=C2)NC(C)=O)cc1	1618690991	WDSMZYKVFZUIJV-ATVHPVEESA-N	372.446	2.490	10	10	FECE	
CCN[C@@H](c1ccccc1O)[C@](C)(O)COCCNC(=O)OC(C)(C)C	1921946750	HYALEYCCXQWZNF-QFBILLFUSA-N	368.474	2.335	10	10	FECE	
Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)N[C@H](C)c1ccccc1O	1648889965	UMMSICOPRZSTSH-GFCCVEGCSA-N	364.405	2.266	10	10	FECE	
CCn1cc(Cl)c(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)n1	1646435288	PNPJFSUETFOWIJ-UHFFFAOYSA-N	362.861	2.448	10	10	FECE	
C[C@H](NC1CCN(CCN(C)C)CC1)c1ccc(N2CCOCC2)cc1	150946278	VOTOLXZSCNNITH-SFHVURJKSA-N	360.546	2.200	10	10	FECE	
NC(=O)c1ccccc1NC(=O)/C=C\c1ccc(N2CCOCC2)cc1	209939551	QLNCRPGMGFXRSE-YFHOEESVSA-N	351.406	2.274	10	10	FECE	
CC[C@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	2141292061	HODFKUHCJLSETH-ORAYPTAESA-N	364.442	2.450	10	10	FECE	
O=C(N[C@@H]1COCC[C@@H]1NCc1cccc(O)c1O)OCc1ccccc1	1943956160	WLUZXCRBMOQJMQ-DLBZAZTESA-N	372.421	2.271	10	10	FECE	
COCCN(C)CCNCc1cc(Cl)cc(Br)c1O	708124241	DYZYCGWVTZCZID-UHFFFAOYSA-N	351.672	2.476	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1CNC(=O)c1ccc(O)c(O)c1	2054413923	MUOAYHXSOSVTFF-AWEZNQCLSA-N	350.415	2.473	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2060613685	UIZHXPYWSLPXJZ-FRRDWIJNSA-N	353.423	2.048	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(CNCc2cc(F)ccc2O)C1	2081460799	ULXQKGDQVZEEAZ-SFHVURJKSA-N	354.422	2.383	10	10	FECE	
C[C@@H]1O[C@]2(C(=O)NCCCCN=[N+]=[N-])C[C@@]1(NC(=O)OC(C)(C)C)C2	2254818321	PUHYFQGBVSJQHD-UVBJJODRSA-N	353.423	2.408	10	10	FECE	
CC1=NN(c2ccc(Br)c(C)c2)C(=O)C1=CNCC(=O)O	2297316900	KPFGEQSOUJPLIT-UHFFFAOYSA-N	352.188	2.038	10	10	FECE	
CCc1nc2n(n1)C[C@@H](NC(=O)NCc1c(O)ccc3c1CCCC3)CC2	174969759	YCBLYOGRZCGHDP-AWEZNQCLSA-N	369.469	2.239	10	10	FECE	
CCCN1CC[C@H](CNC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1	54510519	ORDWXYZURGYVLP-QGZVFWFLSA-N	360.502	2.259	10	10	FECE	
CCOc1ccc(O)c(CNC2CCN(S(=O)(=O)CC(C)C)CC2)c1	181116627	AHLDEKLXXKZXTN-UHFFFAOYSA-N	370.515	2.331	10	10	FECE	
COC(C)(C)CCS(=O)(=O)NCc1ccc(N2CCSCC2)cc1	195352090	FJRVVKFVTJEOML-UHFFFAOYSA-N	372.556	2.474	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnc(NC(C)C)nc3)CC2)cc1	243125415	JKAUYSCVRZVFFT-UHFFFAOYSA-N	355.442	2.268	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)CN1C(=O)Cc2ccccc21	611649474	IQTGJVGDQXPCPK-UHFFFAOYSA-N	351.406	2.067	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)N[C@H](C)[C@H](C)OC)cc2F)CC1	291038212	ULJNZUHTEFONKX-CABCVRRESA-N	366.481	2.190	10	10	FECE	
COc1cnccc1[C@H](C)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	807177631	CDTNSYBYULCWAD-KGLIPLIRSA-N	370.453	2.211	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)NCC3(CCO)CCC3)C2)cc1	824685282	CKVKGZNQJFXEEC-MRXNPFEDSA-N	361.486	2.373	10	10	FECE	
CCc1nc(C)c(CC(=O)NCc2ccc(N3CCOCC3)cc2)c(C)n1	900337052	AAFPWDJVKDHVAG-UHFFFAOYSA-N	368.481	2.351	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccnnc2C)cc1F	839478398	DWDPSANYWIRUIB-UHFFFAOYSA-N	359.405	2.025	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2nnn(C)c2C(F)(F)F)cc1	911893389	RSGQTRVKHNLOCR-UHFFFAOYSA-N	371.363	2.051	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)c3cccnc3Cl)C2)cc1	849416344	PJQFFGQNINWOFG-GFCCVEGCSA-N	367.858	2.301	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1CCC(=O)N(C)C1	859499730	VAWVJRKDVPUGKD-MRXNPFEDSA-N	353.422	2.257	10	10	FECE	
CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	852088853	HUOZASAGQSAOLN-SJLPKXTDSA-N	360.502	2.448	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NC3CCCCC3)C2)cc1	852452821	GVHGWKSJVDDEOR-INIZCTEOSA-N	374.485	2.022	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3ccc(CN)cc3F)C2)cc1	851668007	BRKXMNHEXXMULF-MRXNPFEDSA-N	372.444	2.371	10	10	FECE	
COc1cc(COCC(=O)NCCCSc2nccs2)ccn1	859352148	QDVNPLGKMISJSS-UHFFFAOYSA-N	353.469	2.362	10	10	FECE	
CC[C@H](N[C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(F)cc1O	858490030	RZRXLIXYROJCKP-ZFWWWQNUSA-N	356.405	2.289	10	10	FECE	
CC1(C)C(C(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1(C)C	859520852	YPAPAXRCKXOINM-UHFFFAOYSA-N	369.439	2.172	10	10	FECE	
COc1ccc(N2CCN(S(=O)(=O)C[C@H]3CCC3(F)F)CC2)cc1	866388107	BGUCOKFYINCUHA-CYBMUJFWSA-N	360.426	2.192	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)C3(C)CC(F)(F)C3)CC2)cc1	874242190	FEBZXRWZYADZES-UHFFFAOYSA-N	367.440	2.369	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H](c2cccnc2)C2CC2)c1	770134881	WAPWOVHFTCPLBU-MRXNPFEDSA-N	361.423	2.040	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)c1	773996172	IVERFWAPKRHCCH-ARJAWSKDSA-N	366.377	2.260	10	10	FECE	
C[C@@H](NC(=O)c1cccc(N2CCN(C)CC2)n1)c1ccc(N(C)C)cc1	775403785	KUAASMZBQJRHBG-MRXNPFEDSA-N	367.497	2.390	10	10	FECE	
Cn1ccc(=O)c(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1	1125090546	UJFFRCQLFZOVFK-UHFFFAOYSA-N	358.353	2.413	10	10	FECE	
COC(=O)[C@@H]1[C@@H](CNC[C@H]2CCN(c3ccc(OC)cc3)C2)C1(F)F	895051974	UNITYXCHLIYCEB-WQVCFCJDSA-N	354.397	2.165	10	10	FECE	
C/C=C/C[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)O	797714856	MFVQEAXEVXDGSO-JNPAJOFYSA-N	361.442	2.303	10	10	FECE	
CN(Cc1cc(Br)cc(F)c1O)C[C@H]1CCCS1(=O)=O	715804724	IMYWUWVUBPOQDH-LLVKDONJSA-N	366.252	2.303	10	10	FECE	
COc1cccc(O)c1CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO	2116272327	CBYABMRRYDLIAK-DZGCQCFKSA-N	366.458	2.108	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)c3cnn(C)c3C)C2)cc1	1328507039	MFQYSRUVROMCQJ-HIFRSBDPSA-N	357.458	2.376	10	10	FECE	
COc1ccc(CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C2CC2)cc1	1329772575	CXHFZXOVVLTFCM-UHFFFAOYSA-N	366.417	2.434	10	10	FECE	
C[C@@H](O)CCCN1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C	1264176800	OUEWNMOEBXIURF-IOASZLSFSA-N	361.446	2.203	10	10	FECE	
C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	2132409584	GUWDHBXGLFNJBK-WDEREUQCSA-N	366.414	2.179	10	10	FECE	
O=C(CCN1CC[C@@H](F)C1)NCc1ccc(N2CCSCC2)cc1	1291628128	PDNDFUYPAVEQHC-MRXNPFEDSA-N	351.491	2.290	10	10	FECE	
O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCCc1ccc(O)c(O)c1	1545669086	JNKYFBVQQKSHQE-UHFFFAOYSA-N	358.350	2.328	10	10	FECE	
NC(=O)c1nccnc1N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	1559098162	PQBRGARKARTNNU-ZDUSSCGKSA-N	361.833	2.011	10	10	FECE	
CCn1cccc1C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1	1623436434	LTJKSQSLKREJJK-UHFFFAOYSA-N	370.497	2.459	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1cc(Br)cn2ccnc12	1652629111	WXIQWZRRBUBGQI-UHFFFAOYSA-N	362.183	2.438	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CC[C@@](O)(C(F)(F)F)C2)c([N+](=O)[O-])c1	1772930560	XZADMOPBMWRMLQ-MFBWXBCUSA-N	360.288	2.285	10	10	FECE	
CC[C@H]1SC(=S)N(CC(=O)Nc2ccc(NC(C)=O)cc2)C1=O	11635629	JYVDFJWKJNILCM-GFCCVEGCSA-N	351.453	2.222	10	10	FECE	
COC(=O)CCN1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)SC1=S	206296518	LEZMHGMCUSCRLM-FMIVXFBMSA-N	365.432	2.238	10	10	FECE	
C[C@@H](O)[C@@H](C(=O)O)N1C(=O)/C(=C\c2cc(Cl)ccc2O)SC1=S	1858596436	TUBVRSSLFPCFRC-ISBBERDDSA-N	373.839	2.081	10	10	FECE	
O=C(c1ccc(O)c(O)c1)N1CC[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1	2185521884	LQMVIZQXTGWXCC-YLJYHZDGSA-N	368.433	2.213	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1[C@@H](CN)c1ccc(N(C)C)cc1	2194859389	JEEBUDAYZSKADO-XPKDYRNWSA-N	372.435	2.284	10	10	FECE	
COCC1(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CN(C(=O)OC(C)(C)C)C1	2060619907	SKPURSRPQZLNHT-GFCCVEGCSA-N	353.423	2.029	10	10	FECE	
CN(CC(=O)N(C)c1ccc(N)cc1)CC1CN(C(=O)OC(C)(C)C)C1	2106767236	RSUMOXZSBVDQPQ-UHFFFAOYSA-N	362.474	2.030	10	10	FECE	
CO[C@@H](C(=O)N1CC(N=[N+]=[N-])C1)C1CCN(C(=O)OC(C)(C)C)CC1	2067704491	DHIHKWRLYRGGPD-CYBMUJFWSA-N	353.423	2.170	10	10	FECE	
COc1ccc(N2CC[C@@H](CO)[C@@H](NC(=O)OC(C)(C)C)C2)c(OC)c1	2226807144	VEQJFULNYIEVHP-ZFWWWQNUSA-N	366.458	2.416	10	10	FECE	
O=C(O)CN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S	2297186827	BSZLOMZFCOIGIW-UHFFFAOYSA-N	374.237	2.441	10	10	FECE	
Cc1ccc(-n2c(C)cc(C=CC(=O)NCCOCC(N)=O)c2C)cc1	2299692973	RMTVSOJLSSPPAH-UHFFFAOYSA-N	355.438	2.034	10	10	FECE	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(O)c(O)cc2C1	2318654420	KTPXTSBAXGNZIP-CYBMUJFWSA-N	350.415	2.286	10	10	FECE	
Cc1ccc(CNCCS(=O)(=O)C(F)F)c(O)c1Br	2352947644	TWTRNRIFZWVNCO-UHFFFAOYSA-N	358.204	2.190	10	10	FECE	
COc1cc(Cl)c(CNC=C2C(=O)OC(C)(C)OC2=O)cc1OC	100428575	JIMXIPQWYZLICB-UHFFFAOYSA-N	355.774	2.167	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)C2CCN(Cc3nccn3C)CC2)c1	170900690	XZWWLNLKPDKFLR-AWEZNQCLSA-N	372.469	2.224	10	10	FECE	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCS[C@@H](C)C2)c1	171604822	BTLOEVWKOQROMO-AWEZNQCLSA-N	364.511	2.364	10	10	FECE	
CC(=O)c1cc(F)cc(CN(C)CC2CCN(C[C@@H](C)O)CC2)c1O	175648325	ZBBILFVLFDDPOM-CYBMUJFWSA-N	352.450	2.259	10	10	FECE	
O=S1(=O)CCC(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)CC1	213025318	PTKSDBBKQHTDSC-UHFFFAOYSA-N	374.267	2.018	10	10	FECE	
O=S(=O)(C(F)F)[C@H]1CCN(Cc2cc(Br)ccc2O)C1	2368708801	CUJBQVPEDXWTBK-JTQLQIEISA-N	370.215	2.366	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)N2CCc3cc(O)c(O)cc3C2)C1	2366902491	IABLOMVXPDRPII-JLTOFOAXSA-N	374.437	2.240	10	10	FECE	
Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nn1C1CCOCC1	528995590	IAUGFNGNSIFTTJ-LBPRGKRZSA-N	359.426	2.315	10	10	FECE	
O=C(C[C@H]1CCCS(=O)(=O)C1)NCc1c(O)ccc2c1CCCC2	293718638	OBXZBNCLJUXDPD-CYBMUJFWSA-N	351.468	2.102	10	10	FECE	
CO[C@@H]1CC[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	829255980	YBNHDTXGKCUXQC-GDBMZVCRSA-N	350.434	2.218	10	10	FECE	
COC[C@H](C)n1ccc(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)n1	822811469	FUJSNRUEMIXSMI-GJZGRUSLSA-N	373.457	2.500	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc2nc(CO)[nH]c12	906853864	BXUKJVPLAXYYSD-UHFFFAOYSA-N	352.394	2.160	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@H](C)C(C)(C)O)cc2F)C[C@@H](C)O1	738975793	NVEMIZRWAOWTBG-MGPQQGTHSA-N	367.465	2.398	10	10	FECE	
CN(C)c1ccc([C@@H](N)CNC(=O)c2cnn(CCC(F)(F)F)c2)cc1	832284683	MATRBCJVNUMHKY-HNNXBMFYSA-N	369.391	2.331	10	10	FECE	
O=[N+]([O-])c1cc(Cl)cc(CN2CCC(Cn3cnnc3)CC2)c1O	846055741	KHGNCAHXVDIXCI-UHFFFAOYSA-N	351.794	2.458	10	10	FECE	
Fc1cc(CN2CCn3c(CC4CC4)nnc3C2)ccc1N1CCOCC1	846014100	OTXUALHPZYKQNY-UHFFFAOYSA-N	371.460	2.222	10	10	FECE	
COc1cc(Br)cc([C@H](C)NC[C@@]2(O)CCO[C@H]2C)c1O	848549762	SWIBFYGLFVQREY-YHAQOWFVSA-N	360.248	2.354	10	10	FECE	
CN1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1=O	765409626	PORNGXCTFFPANV-UHFFFAOYSA-N	351.366	2.299	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cccc([S@](C)=O)c3)CC2)cc1	770211610	GMPPLNKLKCHDPY-VWLOTQADSA-N	358.463	2.395	10	10	FECE	
O=C(Cc1ccc(F)cn1)NCc1ccc(N2CCC(CO)CC2)cc1	773977735	IQXASUQVVBEGKH-UHFFFAOYSA-N	357.429	2.288	10	10	FECE	
O=C1OCC[C@@H]2CN(Cc3cc(Br)cc(F)c3O)CCN12	894094102	JTFDMDWWKRZGSM-LLVKDONJSA-N	359.195	2.320	10	10	FECE	
COC(=O)c1c(CN2CCCC3(C2)OCCO3)c2cc(F)ccc2n1C	894425499	WNQCWCOVRAAVHB-UHFFFAOYSA-N	362.401	2.443	10	10	FECE	
CSc1c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cnn1C	790514859	VAXLJIRKGHAXLE-ZDUSSCGKSA-N	360.483	2.470	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H](C(=O)O)N1Cc1ccccc1	688953990	JIXSWVYGYKFCIT-ROUUACIJSA-N	368.433	2.468	10	10	FECE	
Cc1cc(C(=O)COC(=O)c2cnnn2C)c(C)n1-c1ccc(F)cc1	798796442	CQIPECRGTHCTEA-UHFFFAOYSA-N	356.357	2.401	10	10	FECE	
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1Cc2cccc(O)c2C1	1302788650	ZYVRSSZEPZAKDG-IBGZPJMESA-N	363.417	2.463	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCCN4CCC[C@H]4C3)C2)cc1	1327731504	CXBJBFDKBROMTH-AEFFLSMTSA-N	358.486	2.154	10	10	FECE	
COCC[S@@](=O)Cc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1	1444160992	VOBDPZRXMIJECZ-RUZDIDTESA-N	363.435	2.174	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c(C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1	1510675590	SWMRJJKMDPDZGJ-DLBZAZTESA-N	371.441	2.123	10	10	FECE	
Cc1ccc(O)c(CNC(=O)/C=C/C(=O)Nc2ccc3n[nH]cc3c2)c1	1453646587	AYFLAHPLMWQTFX-VOTSOKGWSA-N	350.378	2.388	10	10	FECE	
Nc1ccc(CS(=O)(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)cc1	1915215624	DNKMCMUHRGLCKM-LJQANCHMSA-N	360.479	2.372	10	10	FECE	
CN(C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1)C(=O)OC(C)(C)C	1293201979	SGSDREXSHGJKGR-CQSZACIVSA-N	364.442	2.356	10	10	FECE	
O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCc1ccc(O)cc1O	1299570498	JQQJQWCFVKWWDS-UHFFFAOYSA-N	362.769	2.366	10	10	FECE	
C[C@@H]1Nc2ccnn2[C@@H](C)[C@H]1CCC(=O)NCCc1ccc(O)c(O)c1	1528038026	SXZNMKGKQUXVHD-YDHLFZDLSA-N	358.442	2.425	10	10	FECE	
Cc1cc(CC(=O)N[C@H](CO)Cc2cnc[nH]2)c(C)n1-c1ccccc1	1471340693	DNIHGVNNCLZRCU-SFHVURJKSA-N	352.438	2.080	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)[C@@H](O)CCc2ccccc2)N(C)C)cc1	1472280551	GFCQLQQLHINHHN-RTWAWAEBSA-N	369.509	2.465	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@H]1CCCCN1C(=O)c1ccccc1	1471661351	OFKANAMIFXEKSY-QGZVFWFLSA-N	354.406	2.409	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)c1cc2n(n1)CCC[C@H]2O	1625969442	ANWCWNLAUQNWDI-GOSISDBHSA-N	372.494	2.194	10	10	FECE	
CC[C@@H]1C[C@H]1C(=O)N(C)[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1	1718173159	NANAXMWGUFVYIE-YWPYICTPSA-N	359.430	2.472	10	10	FECE	
CCN(C)c1ccc(CN2CCN(C(=O)C(=O)OC(C)(C)C)CC2)cc1	1559896288	HJUCZYXLKYJMKO-UHFFFAOYSA-N	361.486	2.129	10	10	FECE	
Cc1cccc([C@@H]2C(=O)NCCN2C(=O)/C=C\c2ccc(O)c(O)c2)c1	1557637801	DOIQXAXEZUUOCD-MONCILHSSA-N	352.390	2.119	10	10	FECE	
O=C(NCc1ccc(O)cc1O)[C@@H](O)c1cccc(Br)c1	1570463276	LCDIETVXUYVYQC-AWEZNQCLSA-N	352.184	2.210	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](CO)c2ncc[nH]2)CCCC1	1652792104	VPNVREIEBDLULA-MRXNPFEDSA-N	368.437	2.102	10	10	FECE	
CC(C)N(C)C[C@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1683054717	IAVFQTNXZDRQLS-QFBILLFUSA-N	363.550	2.383	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H]3C[C@H](SC)C3)CC2)c(OC)c1	1683119638	DSLZNHHWHYUEOV-CTYIDZIISA-N	365.499	2.429	10	10	FECE	
C[C@H](c1ccccc1)N1C[C@H](C(=O)NCCc2ccc(O)c(O)c2)CC1=O	157821617	CYUZBAIRNXLOGN-RHSMWYFYSA-N	368.433	2.366	10	10	FECE	
CCOc1ccc(O)c(CNC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1	897691784	IBMRFDKKGWRXKD-LJQANCHMSA-N	366.458	2.252	10	10	FECE	
Nc1ccc(NC(=O)CN2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1	705893930	ADOSROUCLXETSH-ROUUACIJSA-N	350.466	2.271	10	10	FECE	
CN1CCN(CCNCc2cc(Cl)cc(Br)c2O)CC1	708072678	ICWCEHBXLJQOCU-UHFFFAOYSA-N	362.699	2.145	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](CF)(NC(=O)Cc2ccc(N)cc2)C1	2044230144	FKJFEFDYXPKDOU-GOSISDBHSA-N	351.422	2.277	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](Nc2c(N)cccc2C(N)=O)[C@@H](F)C1	2046520065	FOKUGVOKFLLOPU-AAEUAGOBSA-N	352.410	2.127	10	10	FECE	
C[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)c1c(O)cccc1O	2069357680	PXZDOFQBIHHVNB-XUJVJEKNSA-N	352.431	2.119	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](NC(=O)COc3ccc(N)cc3)C[C@H]21	2106264546	HYIVJODHUFDQEJ-BZUAXINKSA-N	361.442	2.162	10	10	FECE	
CN(C[C@@H](O)COc1ccc(N)cc1)C(C)(C)CNC(=O)OC(C)(C)C	2106689860	HMJVBRXAORRNCQ-OAHLLOKOSA-N	367.490	2.244	10	10	FECE	
Nc1ccc(OCCN2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cc1	2097695597	HVGMIAMKHKYSHA-RTWAWAEBSA-N	353.466	2.233	10	10	FECE	
COC[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(Cc2cc(N)ccc2O)C1	2273809781	KJSGUUGXUQYQDX-CZUORRHYSA-N	365.474	2.336	10	10	FECE	
COc1cccc(C=C2C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)c1	2296740180	JJRXBXVWWHOSTL-UHFFFAOYSA-N	352.346	2.370	10	10	FECE	
COc1ccc(C2=NN(CCO)C(=O)C2=Cc2ccccc2C(=O)O)cc1	2297502135	OGBJOOBANMFACM-UHFFFAOYSA-N	366.373	2.016	10	10	FECE	
COc1cccc(CNC(=O)CCNC(=O)c2ccc(F)cc2F)c1O	105652069	OYMZAMDNIKATRF-UHFFFAOYSA-N	364.348	2.115	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H]3[C@@H]3CCCOC3)C2)cc1	1346506832	MUHHTOHTTNOYPA-GJYPPUQNSA-N	359.470	2.484	10	10	FECE	
C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)C(=O)N2Cc3cccc(O)c3C2)C1	1348641607	YFVGLMXOYFBHLX-OVLVRJBISA-N	372.465	2.023	10	10	FECE	
CN(c1ccc(CN)cc1Br)[C@@H]1CC[C@H](S(C)(=O)=O)C1	2361592407	FEHRPBLOZNTJGM-NEPJUHHUSA-N	361.305	2.310	10	10	FECE	
Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)c(O)c1O	248414082	MEWCJXNUXLFJOP-PBHICJAKSA-N	355.438	2.442	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])CC2)cc1	269312350	GGAQJKDWSPXRLZ-UHFFFAOYSA-N	373.413	2.412	10	10	FECE	
Cc1ccc(CNC(=O)c2csc(CN)n2)c(O)c1Br	2380737245	LTWBNHHMHPNCGR-UHFFFAOYSA-N	356.245	2.308	10	10	FECE	
CC(C)C(=O)NCCCNC(=O)NCc1cc(Br)ccc1O	805231741	MBEUUANZAYBCDI-UHFFFAOYSA-N	372.263	2.116	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C	808515369	OJYXCQJFJQPWDL-RDBSUJKOSA-N	353.415	2.256	10	10	FECE	
Cc1ccc(OC[C@@H](O)CNCc2ccc(N3CCOCC3)cc2)cc1	818973250	OGXWUMIAPUZJGK-FQEVSTJZSA-N	356.466	2.361	10	10	FECE	
COc1ccnc(N2CCN(C/C=C/c3ccc(N(C)C)cc3)CC2)n1	835026118	QAJJZRPMFYZLFV-SNAWJCMRSA-N	353.470	2.387	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)N1C(=O)N[C@@H](c2ccnn2C)C1=O	843309350	OROUQJMBBMVHRY-DYVFJYSZSA-N	355.442	2.019	10	10	FECE	
CCN1CCN(c2ccc(C(=O)Nc3ccc(O)cc3C(=O)O)cc2)CC1	910369228	BAINTCKGRRQFFG-UHFFFAOYSA-N	369.421	2.485	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NCC[C@@]2(O)CCOC2)cc1F	844963569	IZIZGLLFKOHLLL-GOSISDBHSA-N	353.438	2.013	10	10	FECE	
COC(=O)/C=C/c1ccc(N2C[C@H](SC)[C@H](N(C)C)C2)c([N+](=O)[O-])c1	759278258	MXYQKFRNNQZHRV-DODUIYEKSA-N	365.455	2.263	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cccc(-n4cncn4)c3)C2)cc1	855232039	PYWMDHAASKDXJE-MRXNPFEDSA-N	363.421	2.285	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCC[C@H]2CCC(F)(F)C2)cc1F	929801922	IBAGBNWQMBMJKN-GFCCVEGCSA-N	371.403	2.450	10	10	FECE	
O[C@H](CNCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1ccccn1	853104764	XHUYULHTERDKGY-JOCHJYFZSA-N	366.509	2.437	10	10	FECE	
Cc1cc(CNC(=O)N2CCn3nncc3C2)c(C)n1-c1ccccc1	858907071	TXNGLFSROKCSRC-UHFFFAOYSA-N	350.426	2.411	10	10	FECE	
CN1C(=O)c2ccccc2[C@@H]1CNCc1ccc(N2CCOCC2)cc1	858284313	ZWYVRHNFYWJSBN-FQEVSTJZSA-N	351.450	2.440	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H]3CCN(C4CC4)C3)C2)cc1	852182265	MLMOSPUFGCWSAE-JKSUJKDBSA-N	358.486	2.057	10	10	FECE	
O=C(O[C@H]1CCNC1=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	769951247	ULCVHCWTOKYBKG-ZDUSSCGKSA-N	369.760	2.161	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NCc1cc(F)cc(F)c1O	708536002	SKDLIKSVDRTGCW-ZGMNHVEMSA-N	370.396	2.441	10	10	FECE	
Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc(O)c3O)C2)n1	1141906055	YSHIWAFQVJVMSO-ZDUSSCGKSA-N	355.394	2.292	10	10	FECE	
CN(C)c1ccc([C@](C)(O)[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1	1917208892	JXUGSYSOCAMGNI-XLIONFOSSA-N	372.421	2.340	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)c3cc(C4CC4)on3)cc2)CC1	1155603451	ACTKSIDJBNIKEH-UHFFFAOYSA-N	368.437	2.184	10	10	FECE	
COc1ccc(O)c([C@H](C)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)c1	2126903048	RLYAQXNMMRQSOG-XGWLTEMNSA-N	366.458	2.422	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2124503146	IANOOPABAAPZSF-CHWSQXEVSA-N	363.422	2.147	10	10	FECE	
CNc1cc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)ccn1	1351612069	JKZCCWGEJSUWLP-GOSISDBHSA-N	370.501	2.291	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)[C@@H]3C[C@@H]3[C@H]3C[C@H]3C)CC2)cc1	1442475416	RLONYSGPXGASKC-XWPNQZOQSA-N	357.498	2.226	10	10	FECE	
O=C(NCCNC(=O)c1cccs1)NCc1cccc(Cl)c1O	1679552184	HQIAPHREWVKQDR-UHFFFAOYSA-N	353.831	2.336	10	10	FECE	
Cc1cc(Br)cc(CN2CCN(CCN(C)C)CC2)c1O	167138998	CXIHSPBRAMVSIZ-UHFFFAOYSA-N	356.308	2.142	10	10	FECE	
CCOC(=O)[C@@H]1CCCN(C(=O)CCNCc2cc(Cl)ccc2O)C1	1857864943	OHWLVXVURGLJAT-CYBMUJFWSA-N	368.861	2.327	10	10	FECE	
COCCOC(=O)CNCc1cc(Cl)cc(Br)c1O	1857873125	RHJFKWMQJXVUFE-UHFFFAOYSA-N	352.612	2.087	10	10	FECE	
O=C(N[C@H]1COCC[C@H]1NCc1ccc(O)c(O)c1)OCc1ccccc1	1943954469	IAEPNFIAFQOQLQ-SJORKVTESA-N	372.421	2.271	10	10	FECE	
OCc1nnc(CNCc2cc(Cl)cc(Br)c2O)s1	1877559337	XTSUIQATBIWLIH-UHFFFAOYSA-N	364.652	2.442	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)COCCNC(=O)OC(C)(C)C	1968790723	MTCXTYQENIAMRT-CYBMUJFWSA-N	352.431	2.453	10	10	FECE	
Nc1ccc(CS(=O)(=O)N2CCCN(Cc3ccccc3)CC2)cc1	323338053	ORJHELMPSVYVTN-UHFFFAOYSA-N	359.495	2.307	10	10	FECE	
CN(C(=O)CN1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1)c1ccc(N)cc1	705901210	XKPQEQRPSNVKAM-KDURUIRLSA-N	364.493	2.295	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Cc2ccc(N)cc2)[C@H](F)C1	2044211599	GASBSOXFEANTPJ-HUUCEWRRSA-N	351.422	2.275	10	10	FECE	
Cc1cccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c1O	2052720338	JWRBZPMKUZYODX-HZPDHXFCSA-N	350.459	2.408	10	10	FECE	
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCc1ccccc1O	2060486529	ZWMFVORNHVJASA-WFASDCNBSA-N	350.415	2.033	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCCN(c2cc3c(cc2N)OCC(=O)N3)C1	2106718344	QZTNMGXXZDKCEU-LLVKDONJSA-N	362.430	2.093	10	10	FECE	
CCN1CCc2cc([C@@H](N)C3(O)CC(NC(=O)OC(C)(C)C)C3)ccc21	2106848896	OGCOEFWQFZEEHP-RYZJOYRSSA-N	361.486	2.487	10	10	FECE	
CN(C)c1ccc([C@@H](N)[C@H](NC(=O)OC(C)(C)C)c2cn(C)nn2)cc1	2110394597	OWJPNPCLCQRHEF-HZPDHXFCSA-N	360.462	2.147	10	10	FECE	
CN(CCn1cnc(C(=O)NCCCN=[N+]=[N-])c1)C(=O)OC(C)(C)C	2218301110	JONZVCWKIXCQOJ-UHFFFAOYSA-N	351.411	2.180	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@H](O)C[C@@H](F)C3)ccc(N)c2C1	2226307937	XCJKWSLXXQTVID-CHWSQXEVSA-N	365.449	2.471	10	10	FECE	
CC(C)(C)OC(=O)NCCOCCOCC[C@H](N)c1ccccc1O	2256283882	WGIIGEMVKYDNCX-HNNXBMFYSA-N	354.447	2.340	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](CC(=O)C(=O)C[C@H]2C[C@H](N)C2)C2(CC2)C1	2261063041	YLAMSBJMBPCVHB-IHRRRGAJSA-N	350.459	2.289	10	10	FECE	
COc1ccc(C=C2C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1	2296079325	IRGZLCWXCFXCLU-UHFFFAOYSA-N	354.337	2.496	10	10	FECE	
Cc1cc(C=C2SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)ccc1F	2323831429	LMQHFSVYTPYIPX-SNVBAGLBSA-N	369.395	2.263	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C(=O)C(=O)C[C@H]3C[C@H](N)C3)C[C@H]21	2311792436	QCFGFWCEQSTBIY-BXLXJSPXSA-N	350.459	2.191	10	10	FECE	
CN(Cc1cnn(C)c1)C(=O)c1cccc2c1C(=O)c1ccccc1C2=O	175284041	VAATVNNGUKTALH-UHFFFAOYSA-N	359.385	2.468	10	10	FECE	
COC(=O)Cc1nnc(NC(=O)c2cc(C)n(-c3ccccc3)c2C)[nH]1	118661913	DDYANEPYLYLWFJ-UHFFFAOYSA-N	353.382	2.180	10	10	FECE	
C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc2c(c1)OCO2	182280277	PCXJWHDGHVSGOS-CQSZACIVSA-N	355.438	2.448	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)c1	74612906	NEPUAENVVSTVIL-ZIAGYGMSSA-N	373.457	2.164	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C(C(=O)N3CCc4cc(O)c(O)cc4C3)[C@H]2C1	2366909535	JSXVVVAJXBRESX-KBPBESRZSA-N	374.437	2.095	10	10	FECE	
CCn1ccnc1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	298113266	MZUWDPKXEARYDO-MRXNPFEDSA-N	358.442	2.499	10	10	FECE	
CCOc1cc(O)ccc1NS(=O)(=O)c1c(C)nn(COC)c1C	818049861	ZMNMQCSQWFFQKF-UHFFFAOYSA-N	355.416	2.009	10	10	FECE	
C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)CC1=O	817958963	NUSAENOCFZPAQP-DIOULYMOSA-N	370.478	2.055	10	10	FECE	
COc1cc(N2CC[C@@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])cc1OC	829304931	DSDBCBROZMQZJG-OQPBUACISA-N	350.293	2.362	10	10	FECE	
Cc1cc(CN(C)CCN2CCCS2(=O)=O)ccc1N1CCCCC1	827957498	NHCCKUOUMKPNIM-UHFFFAOYSA-N	365.543	2.453	10	10	FECE	
Cc1ccc(C(=O)N2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)s1	588405633	DUONIRJJBDQLQV-DAXSKMNVSA-N	372.446	2.466	10	10	FECE	
Cn1cc(C(=O)N2CC[C@H](C(N)=O)c3ccccc32)c(-c2cccnc2)n1	677642852	LGOZMWVNQJEICQ-HNNXBMFYSA-N	361.405	2.102	10	10	FECE	
COc1cc(Br)cc([C@H](C)NCC2(CC(N)=O)CC2)c1O	848553765	QQBPLDMJFDZNLQ-VIFPVBQESA-N	357.248	2.470	10	10	FECE	
Cc1cc(C(=O)CN2CC[C@@](C)(O)C2)c(C)n1-c1ccc2c(c1)OCO2	748833310	SGHQVXLCGNOURR-HXUWFJFHSA-N	356.422	2.462	10	10	FECE	
COC(=O)[C@H](CNC(=O)N1Cc2cccc(O)c2C1)Cc1ccccc1	924963271	IBWSTBFHHKMICN-INIZCTEOSA-N	354.406	2.449	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc4c(c3)NC(=O)CO4)C2)cc1	855230804	YNCVXABNWZPQIO-CQSZACIVSA-N	367.405	2.035	10	10	FECE	
CCOc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)nc1C	856286327	MEHJDOZYFWDMIX-UHFFFAOYSA-N	365.411	2.118	10	10	FECE	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1	751319021	QXWXKDDWHZIBKE-MRVPVSSYSA-N	358.397	2.410	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN(C)Cc3ccc(C)o3)CC2)cc1	754001812	WBFMGHLTCFZWJK-IBGZPJMESA-N	373.497	2.212	10	10	FECE	
CN1CC[C@](Cc2ccccc2)(C(=O)NCc2c(O)cccc2F)C1=O	928705694	LCSAZVXUBNUVNO-FQEVSTJZSA-N	356.397	2.239	10	10	FECE	
C[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccnn1C	869176614	JROGHISHOXFGOB-HNNXBMFYSA-N	371.485	2.189	10	10	FECE	
O=C(NCCCSc1nccs1)N1C[C@H]2[C@H]3CC[C@@H](CN3)[C@H]2C1	861609249	GMSYBVHJCZDSKB-REWJHTLYSA-N	352.529	2.265	10	10	FECE	
CC[S@](C)(=O)=NS(=O)(=O)N(Cc1ccccc1O)C1CCCC1	866842937	GRJGFHUUMYRJQO-QFIPXVFZSA-N	360.501	2.499	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3ccc4nc[nH]c4c3F)cc2)CC1	899211279	JOWBSYZVUHDOJL-UHFFFAOYSA-N	367.428	2.384	10	10	FECE	
COc1cc(NS(=O)(=O)c2ccc(NC(C)=O)cc2F)ccc1O	797819256	BYRMKCZIZUSSPA-UHFFFAOYSA-N	354.359	2.299	10	10	FECE	
Cc1cccnc1/C=C/C(=O)NCc1ccc(N2CCN(C)CC2)cc1	893606733	ACOFSCCAFUGLNS-MDZDMXLPSA-N	350.466	2.471	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1	1142658875	HQQBWCMBSOLPFJ-MSOLQXFVSA-N	352.434	2.373	10	10	FECE	
CC(=O)[C@H]1CC(C(=O)NCc2c(O)cccc2F)=NN1c1ccccc1	1156170546	PIXCVZSTEJUGPB-QGZVFWFLSA-N	355.369	2.371	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C1	2124507890	CYKLAMAJLIIURR-KBPBESRZSA-N	366.466	2.277	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2124538419	JLHPEGLMBHTUOV-ZIAGYGMSSA-N	367.450	2.296	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)c1cc(C(N)=O)ncn1	1185736084	OGTGDEVJEAYWDI-UHFFFAOYSA-N	351.204	2.070	10	10	FECE	
COc1cc(NC(=O)Cc2ccc(O)c(O)c2)ccc1N1CCCC1=O	1440777735	DAUJECASXGBRIC-UHFFFAOYSA-N	356.378	2.414	10	10	FECE	
Cc1cc([N+](=O)[O-])cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n1	1463774436	CNSLRHJRWDQVBG-UHFFFAOYSA-N	370.409	2.407	10	10	FECE	
CC[C@@H]1C[C@H]1C(=O)NC/C=C\CNC(=O)c1ccc(N=NC(N)=O)cc1	1705068329	ZERLFEXWABCLLK-NSYHSVNVSA-N	357.414	2.297	10	10	FECE	
COc1ccc(CNC(=O)C[S@@](=O)c2ccc(Cl)cc2)c(O)c1	1556354867	XGDCUZJICQJLQL-HSZRJFAPSA-N	353.827	2.478	10	10	FECE	
CCOC(=O)C[C@@H](CO)NC(=O)c1cc(C)ccc1-n1c(C)ccc1C	1636839230	WYFHMQMPCMCLOZ-INIZCTEOSA-N	358.438	2.446	10	10	FECE	
CN1C(=O)c2ccccc2[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1	1587313155	KFWGKXRGVBUZER-HNNXBMFYSA-N	351.366	2.406	10	10	FECE	
O=C(O)Cc1ccc(/N=N/N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1	1860481407	XMOWKNLEQXLZII-FMQUCBEESA-N	370.369	2.438	10	10	FECE	
COC(=O)c1c(NC(=O)[C@H]2C[C@H](O)CN2)sc(C)c1-c1ccc(C)cc1	1866042172	QWLOHZVGIPHJKL-UONOGXRCSA-N	374.462	2.480	10	10	FECE	
C[C@H](N)c1ccc(N(C)C2CC(S(C)(=O)=O)C2)c(Br)c1	716099387	AFWOCQGZPRRNRO-GCVQQVDUSA-N	361.305	2.481	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2060617990	UIZHXPYWSLPXJZ-YNEHKIRRSA-N	353.423	2.048	10	10	FECE	
C[C@](NC(=O)C(F)(F)F)(C(=O)N1CCC[C@@H]1CN=[N+]=[N-])C(F)(F)F	2060639617	KADAXAADYQKABA-MUWHJKNJSA-N	361.246	2.287	10	10	FECE	
CCc1cccc(CNCC2(CO)CN(C(=O)OC(C)(C)C)C2)c1O	2081956049	VFULFDHVTLVICH-UHFFFAOYSA-N	350.459	2.274	10	10	FECE	
CN(C(=O)CN1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1ccc(N)cc1	2106655380	PBXZRABKWVUCBA-MRXNPFEDSA-N	362.474	2.221	10	10	FECE	
C[C@H](CN(C)C(=O)OC(C)(C)C)N(C)CC(=O)N(C)c1ccc(N)cc1	2111823067	RNBDHBSSYUSFIL-CQSZACIVSA-N	364.490	2.419	10	10	FECE	
CCN[C@H]1C(=O)Nc2cc(N(CC(N)=O)Cc3ccccc3)c(Cl)cc21	2095891854	KYQUHNPDVGNWFJ-GOSISDBHSA-N	372.856	2.435	10	10	FECE	
CCCN(CCS(C)(=O)=O)Cc1ccc(Br)cc1O	2113786462	KKBWKJRIKBZTHG-UHFFFAOYSA-N	350.278	2.411	10	10	FECE	
O=C(O)CCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S	2293031043	PNDTVNYIGWIIRZ-UHFFFAOYSA-N	351.405	2.481	10	10	FECE	
CSCC[C@H](C(=O)O)N1C(=O)C(=Cc2ccncc2)SC1=S	2296882463	VWFQQYPZLQVCJJ-SNVBAGLBSA-N	354.478	2.489	10	10	FECE	
CC[C@@H](C)N1C(=O)C(=CNc2cc(OC)ccc2OC)C(=O)NC1=S	2296944639	BKUIQXQNHLKIHX-SNVBAGLBSA-N	363.439	2.041	10	10	FECE	
COC(=O)[C@H](C)N1C(=O)/C(=C2\C(=O)Nc3c(C)cccc32)SC1=S	102603883	ZOBMVMWWXJULOJ-HWFBOZJMSA-N	362.432	2.080	10	10	FECE	
NC(=O)c1c(NS(=O)(=O)c2cnc(Cl)s2)sc2c1CCC2	40691064	XHCKVQSUXKRZBU-UHFFFAOYSA-N	363.873	2.246	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1	2163047083	DQSHFHHVLCDUPN-KFWWJZLASA-N	374.485	2.395	10	10	FECE	
COCC[C@@H](COC)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	812576033	RFWNSEBDCIJDRV-IRXDYDNUSA-N	366.458	2.134	10	10	FECE	
C[C@H](N)[C@H]1COCC[C@H]1NCc1ccc(N2CCN(CC3CC3)CC2)cc1	817918515	ZWSWOTMOPDKALP-MTNREXPMSA-N	372.557	2.061	10	10	FECE	
Cc1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)c(C)n1-c1ccccn1	820459430	RTZKAKYXSAONRL-OALUTQOASA-N	368.481	2.424	10	10	FECE	
CN(C)c1ccc(/C=C\CNCCc2ccc(S(N)(=O)=O)cc2)cc1	835042149	DODKHXOQJVHHRQ-ARJAWSKDSA-N	359.495	2.246	10	10	FECE	
COC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1	839548758	UGJWBARFYQLLDJ-ZWKOTPCHSA-N	374.481	2.101	10	10	FECE	
COc1ccc(N2CCC(NC(=O)/C=C(/C)CN3CCOCC3)CC2)cc1	900506966	AFIDZHAMRWHQES-ICFOKQHNSA-N	373.497	2.059	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1(N2CCOCC2)CCC1	839919072	FFOHDRKVRCCYOH-QGZVFWFLSA-N	359.514	2.363	10	10	FECE	
CC[C@H](C)NC(=O)CN1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1	835026304	UQJNPKFHMNHTNY-DKFQHHCZSA-N	358.530	2.298	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)[C@H]1CCc2cncn2C1	844138998	HRBWFELQAPYUKU-JTQLQIEISA-N	350.216	2.230	10	10	FECE	
CCN1CCC[C@H]1CNC(=S)N[C@@H]1CCN(c2ccc(OC)cc2)C1	849271486	LEWTWCSZWDNSPB-WBVHZDCISA-N	362.543	2.222	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)NCc1cc(Cl)ccc1O)C2	845271640	ZIXCHISDAIEEHF-BPNCWPANSA-N	367.833	2.464	10	10	FECE	
O=C1N[C@]2(C(=O)NCc3ccc(N4CCCCC4)cc3)C[C@H]3C[C@@H]1[C@H]2C3	845312061	LTBUGHJJZBTKDQ-NWUWZPLHSA-N	353.466	2.208	10	10	FECE	
COC(=O)CN(Cc1nnc(OC)s1)Cc1cc(Cl)ccc1O	929977037	QUWRKIYZOHCRTP-UHFFFAOYSA-N	357.819	2.081	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCc2nnn(C)c2C1	927858757	TYEKFXMKZCNADC-OAHLLOKOSA-N	357.458	2.390	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@](C)(O)c3ccccc3)C2)cc1	852453188	HANAFPFCYQYFBV-UTKZUKDTSA-N	369.465	2.481	10	10	FECE	
O=C(Cc1cc(C2CC2)no1)NCc1ccc(N2CCC(O)CC2)cc1	856209474	PADDECOJKGHWMJ-UHFFFAOYSA-N	355.438	2.372	10	10	FECE	
CN1CCN(c2ccc(CNC[C@@H]3CCC4(CCOCC4)O3)cc2)CC1	922810606	NZAPQOOEAYGHIP-FQEVSTJZSA-N	359.514	2.256	10	10	FECE	
Cc1c(C(=O)NCCCSc2nccs2)cccc1S(N)(=O)=O	754025472	SSAMEWVRXRXDCK-UHFFFAOYSA-N	371.509	2.011	10	10	FECE	
C[C@H](NS(=O)(=O)c1cccnc1OCC(F)F)c1ccccc1O	867836398	RNZRRDDWBOEJSZ-JTQLQIEISA-N	358.366	2.471	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)NCC(=O)N=S(C)(C)=O	868952843	TYNUVJZRGUBMGM-UHFFFAOYSA-N	353.469	2.140	10	10	FECE	
CC(=O)c1cn(C2CN(Cc3c(O)cccc3Br)C2)nn1	897940806	BVSDNHKPYASKMB-UHFFFAOYSA-N	351.204	2.006	10	10	FECE	
C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1cc2cc(O)c(O)cc2s1	897734516	HHBCWWJGUOSFCK-DGCLKSJQSA-N	362.451	2.248	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](CO)[C@@H]3CCOC3)ccc21	1137913713	IGJUPXXIABCBGA-AEFFLSMTSA-N	360.454	2.032	10	10	FECE	
C[C@@H](O)CN(CCNCc1ccc(F)c(F)c1O)C(=O)OC(C)(C)C	700697673	PWLFISAQIUQARO-LLVKDONJSA-N	360.401	2.378	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C[C@H]3NC(=O)c4ccccc43)C2)cc1	898580429	KLBQKFWYFTUIQV-IFXJQAMLSA-N	365.433	2.265	10	10	FECE	
CN[C@H](C)c1ccc(N2CCS(=O)(=O)[C@H](C)C2)c(Br)c1	707162265	IXBDEMHOIQKOOH-GHMZBOCLSA-N	361.305	2.353	10	10	FECE	
CCc1nc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(C)o1	795397422	QGZDBUGISZBUHP-HNNXBMFYSA-N	370.453	2.177	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CCC2)n1C[C@H]1COCCO1	1314753598	SDOLKDCUFYMBRT-INIZCTEOSA-N	358.442	2.303	10	10	FECE	
C[C@@H]1[C@@H](C(=O)NCc2c(O)cccc2O)CCN1C(=O)OC(C)(C)C	1178912249	RJHUMQFCXIUVGK-NEPJUHHUSA-N	350.415	2.360	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C	2124152709	BVRYGYUDFGCWIR-KCQAQPDRSA-N	364.442	2.282	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1	2124540034	BXBLOBXOLFWMTN-CXAGYDPISA-N	367.450	2.297	10	10	FECE	
C[C@@H]([C@@H](O)c1ccc2c(c1)CCN2C)N1CC(NC(=O)OC(C)(C)C)C1	2131764867	CMVKLKJRUOTDLH-SCLBCKFNSA-N	361.486	2.310	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)NC1([C@H]2CCCO2)CCC1	1527426444	RGLAFDMEGLLBGS-GOSISDBHSA-N	359.470	2.424	10	10	FECE	
O=C(CCNC(=O)c1cc2ccccc2[nH]1)NCc1ccc(O)cc1O	1469160947	WUFWTJOSXPUDCT-UHFFFAOYSA-N	353.378	2.015	10	10	FECE	
COc1ccc(N(C)CCN(C)C[C@H](O)CC2(CO)CCCC2)cc1	1473609634	FQMRRYNYVAOCOT-GOSISDBHSA-N	350.503	2.367	10	10	FECE	
CN(C(=O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N)cc1	2136207611	VOQXGXCOAMHTHE-UHFFFAOYSA-N	363.458	2.384	10	10	FECE	
COc1cc(N2CCO[C@@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC	1612084683	RGHRERLDEMQTEQ-OAHLLOKOSA-N	368.386	2.159	10	10	FECE	
CC(C)(C)[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1	1491393099	JIADFCVOGBPZST-ZIAGYGMSSA-N	359.430	2.377	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)COc1ccccc1[N+](=O)[O-]	1634938572	DOTZYYLMVIIOMQ-UHFFFAOYSA-N	351.355	2.481	10	10	FECE	
COC(=O)[C@@H](O)CCNC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C	1649030540	VYZXSIPXULSAGK-SFHVURJKSA-N	358.438	2.365	10	10	FECE	
Cc1ccc(C(=O)NCc2c(O)cccc2F)cc1NS(C)(=O)=O	1646028692	LTNUXAFDSZUEBN-UHFFFAOYSA-N	352.387	2.141	10	10	FECE	
CC(=O)Nc1ccccc1C(F)(F)C(=O)NCc1c(O)cccc1O	1597574471	MDVUJOVBKADQHG-UHFFFAOYSA-N	350.321	2.464	10	10	FECE	
CC(C)N(C)C[C@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1683054716	IAVFQTNXZDRQLS-LPHOPBHVSA-N	363.550	2.383	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1cccc(C)c1O	2139761439	YGBRZURGIZWCBQ-GJZGRUSLSA-N	364.442	2.199	10	10	FECE	
O=C(O)[C@@H](CO)N1C(=O)/C(=C\c2cccc3ccccc23)SC1=S	1858595562	CSPBQXXXINBVQG-SJWLEHQBSA-N	359.428	2.487	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C[C@@H](O)CN1C(=O)c2ccccc2C1=O	1989687465	KPFBOLSOGOEARF-UONOGXRCSA-N	354.406	2.042	10	10	FECE	
NCc1ccc(N2CCC[C@@]23CCS(=O)(=O)C3)cc1Br	2158461112	ASEDUAJZZGNEJX-AWEZNQCLSA-N	359.289	2.065	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1	2049787494	YVMILERIJIHYPM-IPVBOJNNSA-N	350.459	2.288	10	10	FECE	
CC(C)(C)OC(=O)N1[C@@H](CNCc2ccc(O)c(O)c2O)COC1(C)C	2103037646	WIACNSXLMGYQAQ-LBPRGKRZSA-N	368.430	2.265	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)COc2ccc(N)cc2)C1(C)C	2106231942	ULLMQDFIPRQXEY-GJZGRUSLSA-N	363.458	2.456	10	10	FECE	
C[C@](NC(=O)C(F)(F)F)(C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-])C(F)(F)F	2218746682	XYDCJMHLABKICH-MYINAIGISA-N	361.246	2.334	10	10	FECE	
CN(CCn1cc(C(=O)N2CC[C@H](N=[N+]=[N-])C2)cn1)C(=O)OC(C)(C)C	2225242422	YDZGMAVCTSSHOY-ZDUSSCGKSA-N	363.422	2.275	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](NC(=O)COc2ccc(N)cc2)C1	2226266231	SZGPDESSPOJTQN-GXTWGEPZSA-N	367.421	2.111	10	10	FECE	
C[C@H]1CN(Cc2cc(Cl)cc(Br)c2O)CC2(CNC2)O1	2288581376	CBVZSFVPFZQFJC-VIFPVBQESA-N	361.667	2.371	10	10	FECE	
CCO[C@@H]1CN(Cc2cc(N)ccc2O)C[C@H]1CNC(=O)OC(C)(C)C	2329486122	PIXDJYPQEBQQNX-RHSMWYFYSA-N	365.474	2.336	10	10	FECE	
CCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cn1	176563549	JMPGEDJJSMNLMV-UHFFFAOYSA-N	368.437	2.335	10	10	FECE	
COC(=O)[C@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)CC(C)C	172649713	GVTPEUOVKPLNEP-YOCVDRLZSA-N	374.481	2.488	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCCN(C2CC2)CC1	171711354	SPOYBGWIUIOXKK-RUDMXATFSA-N	355.482	2.233	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccnc(OCC(F)F)c1	181309958	MCCINTGAQIQQKG-DUXPYHPUSA-N	350.321	2.466	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3C[C@@H]4OCCC[C@@H]43)CC2)cc1F	187898693	DKAMUKONOWWEAD-KYJSFNMBSA-N	363.433	2.233	10	10	FECE	
c1nc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)c2nc[nH]c2n1	91676902	MDSUJMCKCPFVLQ-UHFFFAOYSA-N	363.469	2.497	10	10	FECE	
CC[C@@H](N[C@H]1CCC(=O)N(C)C1=O)c1cc(Br)ccc1O	90025993	BHSWYUXZUBDHBX-NEPJUHHUSA-N	355.232	2.343	10	10	FECE	
CCON(C)C(=O)CNC(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2	846509428	MQBWUBBQVVWJHN-UHFFFAOYSA-N	373.453	2.055	10	10	FECE	
CC(C)[C@@H]1COCC[C@@H]1NCc1ccc(N2CCS(=O)(=O)CC2)cc1	925055135	LCPWFZXBLYWUCD-OALUTQOASA-N	366.527	2.072	10	10	FECE	
COc1ccc(N2CC[C@@H](NCc3cnc(N4CCCC4)nc3)C2)cc1	850345829	LUNYXRLIVWCVAS-QGZVFWFLSA-N	353.470	2.454	10	10	FECE	
COC(=O)[C@H]1COCCN1CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	752311483	MHGJJBUUWQXFAC-GOSISDBHSA-N	374.412	2.290	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccccc3F)C2)cc1	852451705	AXGLAACKLFYTMX-IFXJQAMLSA-N	373.428	2.446	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3csc(NC(C)=O)n3)C2)cc1	855231776	MAPIJHSIAVCJDT-GFCCVEGCSA-N	360.439	2.119	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3N)C2)cc1	855232685	WZMRBTQUHPDKBV-GFCCVEGCSA-N	356.382	2.194	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CN1CCN(C2CC2)C1=O	854949450	VWERVHUCSIUXQB-OAHLLOKOSA-N	358.486	2.008	10	10	FECE	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccn(CCF)n1	864577123	SUOCSASSVAEGNG-UHFFFAOYSA-N	352.753	2.180	10	10	FECE	
COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1cc(Cl)cc(F)c1O	775741024	XLYDLHHHQRVCDX-SYQHCUMBSA-N	371.792	2.110	10	10	FECE	
Nc1ccc(CCNC(=O)C(=O)N2CC[C@](F)(c3ccccc3)C2)cc1	1348606642	XJZNBGVHQOIMIC-HXUWFJFHSA-N	355.413	2.025	10	10	FECE	
Cc1cc(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)cnn1	786207522	YAYFJTWXOBQXSF-UHFFFAOYSA-N	365.481	2.247	10	10	FECE	
COc1ccc(N2CCCN(C(=O)c3cncc4nc[nH]c34)CC2)cc1	895808720	AEQRBFADMSNZBP-UHFFFAOYSA-N	351.410	2.319	10	10	FECE	
COC(=O)[C@@H]1CCCN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)C1	1315075014	AFUDWCPSCGHVAK-QGZVFWFLSA-N	371.485	2.399	10	10	FECE	
O=C(N[C@H]1C[C@H]2CC[C@H]1C2)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	1329064137	YNJPCUYFMWJEHC-ONIAQPFYSA-N	372.465	2.205	10	10	FECE	
Oc1ccc(CNC[C@]23CN(Cc4ccccc4)C[C@H]2CCO3)c(O)c1	2118580598	FEZBVILBBHWAHZ-NQIIRXRSSA-N	354.450	2.479	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)NCC2(CN=[N+]=[N-])CC2)CN(C(=O)OC(C)(C)C)C1	2124532693	LPUGKWSHFMJMKO-CHWSQXEVSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NCc2cccc(Cl)c2O)C1	1180410200	LVSVTMRBQNMXLA-LBPRGKRZSA-N	354.790	2.148	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]1NC(=O)CCOc1ccc(N)cc1	2128653272	VMPBVYNZZXNNFF-CJNGLKHVSA-N	363.458	2.457	10	10	FECE	
COC[C@H](F)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1O	1518754674	XWTIXNJICWWRNQ-CQSZACIVSA-N	372.404	2.062	10	10	FECE	
CCC[C@@H](O)[C@@H](CO)NC(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2	1299167012	QMBKRZQFFDMWOB-YLJYHZDGSA-N	374.481	2.167	10	10	FECE	
CN(C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1)C(=O)OC(C)(C)C	1293201977	SGSDREXSHGJKGR-AWEZNQCLSA-N	364.442	2.356	10	10	FECE	
Cc1ccc(C(=O)N2CCC(NC(=O)Cc3ccc(O)c(O)c3)CC2)cc1	1464753342	QUWAWPOMOCEBKQ-UHFFFAOYSA-N	368.433	2.370	10	10	FECE	
COc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)nc1Cl	1533682194	ATBKRJYIRGHNSO-UHFFFAOYSA-N	374.872	2.425	10	10	FECE	
Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NCc1cc(Cl)ccc1O	1469875104	UNFTYYWPGUBTTP-INIZCTEOSA-N	371.828	2.441	10	10	FECE	
Cn1cc(C(=O)NCc2c(O)ccc3ccccc23)c(=O)c2cnn(C)c21	1472085229	NBDNQOOPYPUPNM-UHFFFAOYSA-N	362.389	2.061	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](Cc1ccccc1)c1nc(O)n[nH]1	1557910558	DSQRYRWWVTVDND-LEJCZOIISA-N	366.377	2.035	10	10	FECE	
O=C(N[C@@H]1CN(c2ccccc2)C1=O)c1cc2cc(O)c(O)cc2s1	1632747566	OIMINTCYGJZCFG-GFCCVEGCSA-N	354.387	2.458	10	10	FECE	
Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)NCc1cccc(Cl)c1O	1637226972	HHTSCILUZKENPT-UHFFFAOYSA-N	372.805	2.071	10	10	FECE	
CCOC(=O)[C@@H](F)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1	1570809494	WWZGNGIGMUSJCX-AAEUAGOBSA-N	350.350	2.212	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)cc1	1585443828	IJEKDLLXVBRHJX-MRXNPFEDSA-N	361.486	2.094	10	10	FECE	
CC[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1O	1763364309	BBSMHBIXNHFQEE-LJQANCHMSA-N	368.441	2.238	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCc1nnc(O)n1C1CC1	1684768834	LZZQKJDWQLTIER-UHFFFAOYSA-N	370.457	2.260	10	10	FECE	
CCOc1cccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)c1O	1858590487	SVZMRFRSJOKFLY-DHZHZOJOSA-N	353.421	2.467	10	10	FECE	
CCN[C@@H](c1ccccc1O)[C@H]1Cn2cnnc2CN1C(=O)OC(C)(C)C	2146242774	WPAHBHVSACFTLL-PBHICJAKSA-N	373.457	2.454	10	10	FECE	
CC(C)(C)OC(=O)N1CCS(=O)(=NCc2cc(N)ccc2O)CC1	1999482583	CGRJYISAXGAQCJ-UHFFFAOYSA-N	355.460	2.193	10	10	FECE	
CC[C@H](NCCCCS(N)(=O)=O)c1cc(Br)ccc1O	312585140	WBJMJEYMRXOVOD-LBPRGKRZSA-N	365.293	2.264	10	10	FECE	
CN(c1cc2c(cc1N)OCC(=O)N2)[C@@H]1CCN(Cc2ccccc2)C1	388589830	LQQSLZPVPDVYJI-OAHLLOKOSA-N	352.438	2.310	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H](N=[N+]=[N-])C1)C1(O)CCC1	2067740130	NPUYFGDQFXLEMA-NWDGAFQWSA-N	353.423	2.096	10	10	FECE	
CN1CCc2cc([C@@H](N)C3(O)CCN(C(=O)OC(C)(C)C)CC3)ccc21	2106850759	LXFZCEXXJAGELX-QGZVFWFLSA-N	361.486	2.441	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](NC(=O)c2cccc(O)c2O)C1	2219126508	WRXBTVYKZWUHPD-WDEREUQCSA-N	354.378	2.175	10	10	FECE	
COC(=O)c1ccc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1	2297298437	YSPYZOSZFJRGIJ-UHFFFAOYSA-N	364.357	2.448	10	10	FECE	
Cc1nc([C@H](NC(=O)C=Cc2ccc(O)c(O)c2)c2ccccc2)n[nH]1	2308000915	ZIFUOBCBHDYTMJ-GOSISDBHSA-N	350.378	2.443	10	10	FECE	
C[C@H](c1nccs1)N1CCN(C(=O)C=Cc2ccc(O)c(O)c2)CC1	2309350602	WXJQXYUTTDKKSC-CYBMUJFWSA-N	359.451	2.473	10	10	FECE	
Cc1cc(C=C2SC(=S)N([C@@H](C(=O)O)[C@H](C)O)C2=O)ccc1F	2323823377	BGQCMIOJYAXTMR-QPUJVOFHSA-N	355.412	2.169	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])CO1	2312333952	HITGUMZWTYGBAO-FDYHWXHSSA-N	353.423	2.358	10	10	FECE	
CC(C)(C)OC(=O)N(CCCO)CCC(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-]	2319869445	AEVKSRJWBAQLIY-STQMWFEESA-N	355.439	2.344	10	10	FECE	
Ic1cnc(CNCc2ccc3c(c2)CCO3)nc1	2353148802	DPFLUFSOVIHFQS-UHFFFAOYSA-N	367.190	2.306	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3CCC(n4cncn4)CC3)ccc21	102010902	STBYZEOEMCKXFH-UHFFFAOYSA-N	354.458	2.207	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc(-c2cnn(C)c2)s1	183478935	PPGQTLHJOGFWTL-JTQLQIEISA-N	358.423	2.316	10	10	FECE	
COc1ccc(N2CCN(C(=O)Nc3ccc(C(N)=O)cc3)CC2)cc1	43714219	DITIZWWGZWDCKW-UHFFFAOYSA-N	354.410	2.148	10	10	FECE	
CCO[C@@H]1COCC[C@@H]1NC(=O)NCc1cc(Br)ccc1O	805281291	WJUOUNQUGDETAN-GXTWGEPZSA-N	373.247	2.148	10	10	FECE	
CC[C@H](CO)N1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)CC1	294919650	IJBDEDVEPJSOCY-LJQANCHMSA-N	361.530	2.190	10	10	FECE	
COC(=O)C1(CS(=O)(=O)Nc2ccc(O)c(OC)c2)CCCCC1	291869593	HGUOWJCNKPQROF-UHFFFAOYSA-N	357.428	2.266	10	10	FECE	
CC1=S=C(C(=O)Nc2ccc(N=S(C)(C)=O)cc2)C=C1[N+](=O)[O-]	820373082	HMMFCALTEACTRM-UHFFFAOYSA-N	353.425	2.256	10	10	FECE	
COCC1(CCNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1	825727708	IQSFRJYQOBFQKH-UHFFFAOYSA-N	365.449	2.278	10	10	FECE	
CO[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCCC1	822687994	JGDLXLBUCJNBDX-SFHVURJKSA-N	350.434	2.484	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=S)NCCN2CCOCC2)cc1	730596706	VDAHLNBKQXKDDA-UHFFFAOYSA-N	364.559	2.171	10	10	FECE	
COC(=O)c1cnc(SC[C@H](O)COc2ccc3c(c2)OCO3)s1	834382122	CTFWJLROLYWDLR-SECBINFHSA-N	369.420	2.190	10	10	FECE	
C[C@H]1CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C[C@H](C)O1	838744596	NIDQBFKWVBKNJS-STQMWFEESA-N	369.412	2.120	10	10	FECE	
C[C@@H](NC(=O)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(N2CCOCC2)cc1	914401038	ZVXIGMDHTABQRM-QEEHTWDDSA-N	371.481	2.475	10	10	FECE	
CCOC(=O)c1cccc(N(CC)C(=O)c2ccnc3c2CC(=O)N3)c1	596879970	PNBWGJLFNITDSS-UHFFFAOYSA-N	353.378	2.420	10	10	FECE	
CN(c1ccc(CNC(=O)c2cnc(O)n(C)c2=O)cc1)C1CCCCC1	751464243	QFOFILJLTKKYTL-UHFFFAOYSA-N	370.453	2.185	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc(-c4nc[nH]n4)cc3)C2)cc1	855227928	RUKAZIJPSWYZAN-MRXNPFEDSA-N	363.421	2.489	10	10	FECE	
OC1CCN(c2ccc(CNCC3(C4(O)CCOCC4)CC3)cc2)CC1	922594424	HIMIGJREYMMMBI-UHFFFAOYSA-N	360.498	2.059	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)Cc1cc(C2CC2)no1	850153785	GSZUQTKWUGJGGA-UHFFFAOYSA-N	371.437	2.362	10	10	FECE	
C[C@H](NC(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1)c1ccc(N(C)C)cc1	854005104	ZWEOKZGPODOHSV-YDHLFZDLSA-N	353.488	2.079	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3cnn4ccccc34)C2)cc1	852322524	LOZUZWJUXXOIAH-MRXNPFEDSA-N	365.437	2.421	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)cc1	855229381	JOMZLUQHSRDVIA-KBPBESRZSA-N	363.458	2.303	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c(C)nn(C)c1-n1ccnc1C	935947922	HWSSERAZLNDHAF-UHFFFAOYSA-N	374.441	2.344	10	10	FECE	
Cc1nn(C)c2c1N(C(=O)C1=CC[C@H](NC(=O)OC(C)(C)C)C1)CCO2	866517513	LPPFTXPMWJGMTP-ZDUSSCGKSA-N	362.430	2.067	10	10	FECE	
CO[C@H]1CCn2cc(C(=O)NCc3ccc4cccnc4c3O)nc2C1	868937865	OCKVOFDKSAVPDQ-AWEZNQCLSA-N	352.394	2.028	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]21	935944872	BGLUKQWYRNGGRJ-MJBXVCDLSA-N	351.443	2.189	10	10	FECE	
CN(C)c1ncccc1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	761024719	CPFSNVYTZSUJPP-UHFFFAOYSA-N	374.828	2.471	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCn4cc(C)nc4C3)C2)cc1	862158412	GTEXHYXXJRHBJO-HOTGVXAUSA-N	354.454	2.158	10	10	FECE	
Cc1occc1C(=O)NC1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1	768450278	JICBTOVEMYGHRF-GOSISDBHSA-N	372.421	2.114	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1cccc(O)c1	781015856	YSBVRXMWOTYJJO-UHFFFAOYSA-N	363.797	2.496	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccnn1C1CCCC1	785295460	VOTZVJOXXYGVJT-LBPRGKRZSA-N	372.425	2.095	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)C3(C(F)(F)F)CC3)cc2)CC1	894597893	QZKPLRUVCYFJIA-UHFFFAOYSA-N	369.387	2.347	10	10	FECE	
CC(C)(C)OC(=O)NC1(CNC(=O)Cc2ccc(O)c(O)c2)CCC1	1137756005	IEWBTEMAYHRGDA-UHFFFAOYSA-N	350.415	2.204	10	10	FECE	
CCCONC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	1163234409	UBXPFZOGINLLAT-UHFFFAOYSA-N	356.425	2.326	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)NCC2(CO)CCCC2)N(C)C)cc1	1313413024	LJFHBALPQJXHGS-SFHVURJKSA-N	362.518	2.207	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CC2)n1CCCN1CCOC1=O	1314753729	XNNRYJHQFWVHSI-UHFFFAOYSA-N	371.441	2.340	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC1CC2(COC(C)(C)C2)C1	1332867103	QMGARLGDUFSUMJ-UHFFFAOYSA-N	373.497	2.141	10	10	FECE	
CCN(C(=O)C1=C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)c1cccc(O)c1	2131518306	AMWIIAUGILNHNB-HOTGVXAUSA-N	362.426	2.329	10	10	FECE	
CC(C)NC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1O	1509752545	JXHGCVZVJOVFCC-UHFFFAOYSA-N	368.441	2.140	10	10	FECE	
COc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1S(C)(=O)=O	1299414003	JQOMYVLLJWRTIJ-YWEYNIOJSA-N	363.391	2.162	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)c1cncc2nc(C(F)(F)F)[nH]c12	1465981249	GIUYYBJUCBEWTF-UHFFFAOYSA-N	366.299	2.360	10	10	FECE	
C[C@H](C(=O)NCc1cccc(Cl)c1O)N1C(=O)c2ccccc2C1=O	1472316722	FFJXAFKBCMWFBD-SNVBAGLBSA-N	358.781	2.347	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)[C@@H]2COCCN2CC(F)F)cc1	1544580749	RUKMQWQJGUISTK-INIZCTEOSA-N	355.429	2.115	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(S(C)(=O)=O)ccc1N	1623386308	CVDGKKWVOKJBGU-UHFFFAOYSA-N	361.467	2.011	10	10	FECE	
CSc1ccc(N2C[C@@H](C(=O)NCc3c(O)cccc3O)CC2=O)cc1	1639288947	CDVUXYMRLYQCTP-LBPRGKRZSA-N	372.446	2.489	10	10	FECE	
Cc1ccc(O)c(CNC(=O)Cc2ccnc(O)c2Br)c1	1640796978	UJYYALPKPIYJKZ-UHFFFAOYSA-N	351.200	2.423	10	10	FECE	
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCc2cc(O)ccc2O)cc1	1651222988	VOXMJMISUJCBCB-KRWDZBQOSA-N	354.406	2.214	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)NC(C)(C)CNS(C)(=O)=O)cc1	1584935373	ZDRBUYYHOGSHIN-UHFFFAOYSA-N	363.483	2.152	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)N[C@H](CO)CC3CCCC3)cc2)CC1	1684874768	VBAWFCZEGAWYQZ-IBGZPJMESA-N	374.529	2.179	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H]2C[C@H](O)CCN2C(=O)OC(C)(C)C)c1O	2139761494	HWDLFKXBADQTST-CABCVRRESA-N	364.442	2.077	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)NCc2cccc(C)c2O)N(C(=O)OC(C)(C)C)C1	2139741701	ODOZYYBEGOBLSH-HUUCEWRRSA-N	364.442	2.341	10	10	FECE	
C[C@@H]1CCc2c(sc(NC(=O)c3cc(O)c(O)c(O)c3)c2C(N)=O)C1	1865876550	SDMBQAIQMZUVMG-SSDOTTSWSA-N	362.407	2.341	10	10	FECE	
CN(C)c1ccc([C@@H](NC(=O)c2ccc(N)c(O)c2)c2nccn2C)cc1	1866096440	OVAHBQITYMDIFU-GOSISDBHSA-N	365.437	2.293	10	10	FECE	
CCOc1cccc(CNCCC(=O)NCCCCN2CCCC2)c1O	1857860018	QZDOOMAALAGCJB-UHFFFAOYSA-N	363.502	2.263	10	10	FECE	
C[C@@H](NCCN1CCN(C(=O)OC(C)(C)C)CC1)c1cc(O)ccc1O	311313217	XEEFNRJCCSGNKO-CQSZACIVSA-N	365.474	2.301	10	10	FECE	
CN1C(=O)[C@@H](N)c2ccc(N(C)[C@H]3CCN(Cc4ccccc4)C3)cc21	381865205	MTVVWVQNJMPJOJ-PXNSSMCTSA-N	350.466	2.374	10	10	FECE	
COc1ccc(O)c(CNC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)c1	394440623	XJIVFYGASMBGRY-OAHLLOKOSA-N	365.474	2.042	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)CCOC1	2060640525	WHEMQZULOQZPQY-WBMJQRKESA-N	353.423	2.219	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1	2060620144	WWJHSIVILIYSNI-CHWSQXEVSA-N	353.423	2.029	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CN(C(=O)CCOc3ccc(N)cc3)C2)C1	2106691097	RUJUQPZANVOMGD-UHFFFAOYSA-N	361.442	2.117	10	10	FECE	
CC(C)(C)OC(=O)NC1[C@H]2C[C@H]1CN(C(=O)COc1ccc(N)cc1)C2	2106703191	MMFRDNXHXQISBB-STQMWFEESA-N	361.442	2.019	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)[C@H](O)[C@@H](C)CNC(=O)OC(C)(C)C	2106849863	BLRNKRJGZWJEAC-MORSLUCNSA-N	363.502	2.461	10	10	FECE	
CC(C)(C)OC(=O)N1CCOCC[C@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2257618250	BMYFBIZSKLGDPH-LBPRGKRZSA-N	353.423	2.219	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-])[C@@H]1CCOC1	2259903823	YDZKAJREOHBNDP-UPJWGTAASA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(c1cc3c(cc1N)OCCO3)C2	2272652643	AZJYWKPJKPWGRX-CWTRNNRKSA-N	361.442	2.391	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@]2(NCc3ccc(F)cc3O)CO[C@H]1C2	2312836092	LVRZPDJWOJDQNS-DHSIGJKJSA-N	352.406	2.446	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@]12CCOC[C@H]1CN(C(=O)OC(C)(C)C)C2	2337777441	SWJHJZMPNGKOTM-CXAGYDPISA-N	367.450	2.419	10	10	FECE	
CSCCN(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	119174060	IWQLKPQVUMUBMN-UHFFFAOYSA-N	355.479	2.291	10	10	FECE	
NC(=O)[C@@H]1CCCN(C(=O)CNc2ccccc2C(=O)c2ccccc2)C1	175597333	JPNIEUSEQJZBFU-MRXNPFEDSA-N	365.433	2.053	10	10	FECE	
Nc1ccc(CC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)cc1	178410874	LWVDLGQTEUGYIQ-UHFFFAOYSA-N	352.843	2.055	10	10	FECE	
CCN(CCO)C(=O)CCCN1C(=O)/C(=C/c2ccco2)SC1=S	35640806	KGJSFAYTTYNRPY-QBFSEMIESA-N	368.480	2.102	10	10	FECE	
COc1ccc(N2CCC(NC(=O)Cc3cccc(OC)n3)CC2)cc1	187065280	KWOIDGWCOZQQPN-UHFFFAOYSA-N	355.438	2.427	10	10	FECE	
COc1cc(Br)cc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)c1O	120583196	TXUWSAPPSDFVOX-VXGBXAGGSA-N	373.291	2.050	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCc3ccc(CO)c(F)c3)CC2)cc1	194909963	HWRZIHRUVMKXTE-UHFFFAOYSA-N	373.428	2.358	10	10	FECE	
CC[C@H]1CN2CCC[C@H]2CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1	246673705	VGBFWYYIXPEPFQ-ICSRJNTNSA-N	358.530	2.270	10	10	FECE	
CCOC(=O)c1cnc2c(N=Nc3cccc(OC)c3)c(N)nn2c1N	252620006	LVVZCABWPGGNND-UHFFFAOYSA-N	355.358	2.494	10	10	FECE	
C[C@H](NC(=O)C(=O)N1CC[C@@H](c2ccccn2)C1)c1ccc(N(C)C)cc1	807674605	NSIFZPCQKMDDBR-DOTOQJQBSA-N	366.465	2.341	10	10	FECE	
CC(=O)C(=O)COC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C	808493747	NLBFFKJJQDIWGN-UHFFFAOYSA-N	357.391	2.320	10	10	FECE	
Cc1ncc(NC(=O)C(=O)NCc2cc(Br)ccc2O)s1	807386841	LWPZOKNCBBJLKE-UHFFFAOYSA-N	370.228	2.175	10	10	FECE	
Cc1c(Cl)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)nn1C	817707841	PAYBJDQSTQCCTL-TWGQIWQCSA-N	359.860	2.448	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)NCCCc3ncn(C)n3)cc2)CC1	825957984	SYAMMOZUCGQUGL-UHFFFAOYSA-N	370.501	2.483	10	10	FECE	
CN(CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)Cc1cc[nH]n1	733996741	IYAZZDHMMAFIMD-UHFFFAOYSA-N	374.400	2.256	10	10	FECE	
COc1ccccc1N1CC[C@@H](NC(=O)NCc2c(O)cccc2F)C1=O	921426353	RVBOYJXTNGXJRE-CQSZACIVSA-N	373.384	2.145	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC[C@H]1c1ccc(O)nn1	859891938	KHXAYHDEHJFEOG-SFHVURJKSA-N	369.469	2.044	10	10	FECE	
C[C@@]1(C(=O)NCc2cc(NC(=O)[C@]3(C)CCCO3)ccc2O)CCCO1	923119557	LWOZILQUHRURKA-OALUTQOASA-N	362.426	2.085	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cnn(C)c3C(F)F)C2)cc1	855229115	HSTYTTJDAFYEGV-LLVKDONJSA-N	350.369	2.375	10	10	FECE	
CCOc1cccnc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1	856211265	KLOHHJAFWNBIPI-UHFFFAOYSA-N	355.438	2.371	10	10	FECE	
C[C@@]12COC[C@H]1CN(C(=O)NCc1ccc(N3CCSCC3)cc1)C2	851992083	YNJVYQYHSLFJRY-VQIMIIECSA-N	361.511	2.418	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CNC(=O)Nc3ccccc3)C2)cc1	855228576	DCWCIQZBZSTOOK-MRXNPFEDSA-N	368.437	2.212	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)NCC(=O)N=S(C)(C)=O)c1C	868954159	DQADGMLELDPWAN-UHFFFAOYSA-N	361.467	2.387	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cc3ccc(OC)c(O)c3)CC2)cc1	864469755	CELDKYNDIIAWLV-UHFFFAOYSA-N	356.422	2.301	10	10	FECE	
CN(Cc1cccs1)c1ccc(CN2CCO[C@@H](CC(N)=O)C2)cc1	862535690	WJQRZIIUSCZGKG-KRWDZBQOSA-N	359.495	2.461	10	10	FECE	
O=C(c1ccc(CNC(=O)C(F)(F)F)o1)N1Cc2cccc(O)c2C1	871206981	HJGDUTMXEGLCPW-UHFFFAOYSA-N	354.284	2.320	10	10	FECE	
COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)NCc2cccc(OC)c2O)C1	776239933	NUYVJESEOQLARP-GXTWGEPZSA-N	365.430	2.067	10	10	FECE	
Cc1cc(CCNC(=O)N2C[C@H](C)O[C@H](CO)C2)c(C)n1-c1ccccc1	786689964	PXDHMQYOVUAUML-JXFKEZNVSA-N	371.481	2.428	10	10	FECE	
CC(C)(C)OC(=O)[C@@]1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCOC1	1300414336	KLYPYFOCRITSOR-QGZVFWFLSA-N	362.386	2.080	10	10	FECE	
O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	1329064134	YNJPCUYFMWJEHC-CWLKWCNXSA-N	372.465	2.205	10	10	FECE	
C[C@@H](NC(=O)c1c[nH]nc1I)c1ccccc1O	1171723469	RUJXUJOAIVAFID-SSDOTTSWSA-N	357.151	2.211	10	10	FECE	
Cn1cc(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])nc1CNC(=O)OC(C)(C)C	2124539852	ZXUWASBZKHHUGO-LLVKDONJSA-N	363.422	2.360	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c(C)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1	1510675610	SWMRJJKMDPDZGJ-IRXDYDNUSA-N	371.441	2.123	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)Cc1ccc(O)c(O)c1	1446996847	USJPXZWTOKDMIA-QWHCGFSZSA-N	364.442	2.497	10	10	FECE	
CCc1ncc(Cl)c(C(=O)NCc2ccc(N3CCOCC3)cc2)n1	1542302041	GEVMTKPEQCBLCO-UHFFFAOYSA-N	360.845	2.459	10	10	FECE	
Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(O)cc3O)CC2=O)cc1C	1557084991	XLGHUDYLLWPWQH-HNNXBMFYSA-N	354.406	2.384	10	10	FECE	
C[C@H]1C[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1O	1726483598	HJEMNXOLLYLCKW-HOCLYGCPSA-N	369.469	2.399	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1cnn2c(-c3cccnc3)ccnc12	1643882197	QDSZPOLQKPVKPM-UHFFFAOYSA-N	361.361	2.133	10	10	FECE	
Cc1cc(C(=O)N2CC[C@H](c3nncn3C)C2)c(C)n1-c1ccccn1	1644721106	LYBYAIJEFJFZRW-HNNXBMFYSA-N	350.426	2.247	10	10	FECE	
CN1CCN(Cc2ccc(C(=O)N3Cc4cccc(O)c4C3)s2)CC1	1587933396	UPROJMKHZXZWAY-UHFFFAOYSA-N	357.479	2.357	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCn2ncc(Br)c2C1	1179687244	QOTQXQUEHRIFNJ-DUXPYHPUSA-N	364.199	2.112	10	10	FECE	
C[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]1(O)[C@@H](N)c1ccc2c(c1)CCCN2C	1887683376	INDAFYLTVFWDGY-ROOHIHILSA-N	361.486	2.439	10	10	FECE	
COC(=O)[C@@]1(NCCCN=[N+]=[N-])CN(Cc2ccccc2)[C@]2(CCOC2)C1	2156296502	PAUMYPQGXNKSTP-MOPGFXCFSA-N	373.457	2.253	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H]2C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1	2049784825	RDDYZBHPNPWRGT-WFTHSTBKSA-N	350.459	2.289	10	10	FECE	
CCO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NCc1ccccc1O	2060479515	OXIYXQJIDDTBFZ-AWEZNQCLSA-N	352.431	2.328	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2218735782	RQMVEUGZWBYTMG-RNJOBUHISA-N	353.423	2.264	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@@]3(O)CN(C(=O)OC(C)(C)C)CC34CC4)ccc21	2236362324	WWJWNMBOUWIOOT-UTKZUKDTSA-N	373.497	2.441	10	10	FECE	
COCCCN1C(=O)C(=Cc2ccc(C(=O)OC)cc2)C(C(=O)OC)=C1C	2294082123	DSKKOVDMSUZWBN-UHFFFAOYSA-N	373.405	2.182	10	10	FECE	
CCOC(=O)CNC(C)=C1C(=O)N(c2nc3ccccc3s2)N=C1C	2294216526	VLQCDZIGMLQYMX-UHFFFAOYSA-N	358.423	2.446	10	10	FECE	
Cc1nc(Cc2noc(C=Cc3ccc(N4CCOCC4)cc3)n2)no1	2297515462	OYDAAZLCMUVDHA-UHFFFAOYSA-N	353.382	2.359	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N1CC[C@@H](CN2CCCC2)C1	2297621391	JJUNMFOOIYEPKW-FQEVSTJZSA-N	369.509	2.481	10	10	FECE	
CN(Cc1cc2c(cc1O)OCO2)[C@@H]1CCN(c2ccccc2F)C1=O	112332298	LJDKUZOBTOPTAQ-OAHLLOKOSA-N	358.369	2.497	10	10	FECE	
COc1ccc(N2CCN(C(=O)COc3cc(F)cc(C=O)c3)CC2)cc1	184929476	YUIUPUOQGVVEBW-UHFFFAOYSA-N	372.396	2.374	10	10	FECE	
COc1cc(/C=C2\C(=O)NN(c3ccc(C)cc3)C2=O)cc([N+](=O)[O-])c1O	36108074	LSPXELCXNCFDKU-NTUHNPAUSA-N	369.333	2.079	10	10	FECE	
Cc1cccc(CN2CCN(C[C@@H](O)COc3ccccc3)CC2)c1O	180132368	GFALXNJSTOPIKJ-LJQANCHMSA-N	356.466	2.258	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(-c3ncon3)c2)cc1	77692129	DHRIXQALQZUCBH-UHFFFAOYSA-N	365.393	2.058	10	10	FECE	
CO[C@](C)(CCN)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	1951991793	CSDDBAFZZXAOKZ-MAUKXSAKSA-N	354.447	2.288	10	10	FECE	
C[C@@H](NC[C@@]1(CO)COCC2(CCC2)N1C)c1cc(Cl)ccc1O	527957083	RSLSQSJXQFIKNJ-FZKQIMNGSA-N	354.878	2.312	10	10	FECE	
CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cc(F)cc(C(C)=O)c1O	372283223	RSAVAHKPCDZVPO-CABCVRRESA-N	353.390	2.276	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1F)CCNC2=O	284718951	ARHCGIXEBHINNI-SNVBAGLBSA-N	373.384	2.276	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@@H](c2cccnc2)C2CC2)cc1F	803664374	LPYQIXCZZGQLRY-GOSISDBHSA-N	370.428	2.170	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@@H]1C[C@H](N)CCO1	1952118547	GXGQUWVTZSJLOJ-IOASZLSFSA-N	352.431	2.040	10	10	FECE	
CN(CC(=O)NC(C)(C)C)C(=O)c1csc(Cc2ccc(N)cc2)n1	817906839	IRGBZMSWHJLGAR-UHFFFAOYSA-N	360.483	2.303	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)Nc3ccc(=O)n(C)c3)C2)cc1	818090713	HJBKPBMCMQKNLM-CQSZACIVSA-N	356.426	2.042	10	10	FECE	
CCOc1ccc(CN2CCc3sc(S(N)(=O)=O)cc3C2)c(O)c1	827770053	WHJZLYUWSSYFSX-UHFFFAOYSA-N	368.480	2.058	10	10	FECE	
CN1CCN(c2ccc(CN3CCOc4ccc(N)cc4C3)cc2)CC1	903943831	CQSXVALCBHYKKM-UHFFFAOYSA-N	352.482	2.415	10	10	FECE	
Cc1ncc(/C=C\C(=O)N(C)c2ccc(S(=O)(=O)N(C)C)cc2)s1	588602234	PFHARIJSWJRKAT-YFHOEESVSA-N	365.480	2.378	10	10	FECE	
O=Cc1c(Br)nc2n1CCO/C2=C\c1cn(C2CCC2)nn1	901575950	UWPDOWMJKLTEKD-SDQBBNPISA-N	364.203	2.303	10	10	FECE	
CN(C)c1ccc(/C=C\CNC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1	835054020	QWYWJHJAYFBPHH-LOYZYROESA-N	365.543	2.463	10	10	FECE	
CCN1CCC[C@H]1CNC(=S)N[C@H]1CCN(c2ccc(OC)cc2)C1	849271485	LEWTWCSZWDNSPB-RDJZCZTQSA-N	362.543	2.222	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CCCC[C@@H]2[C@@H]2C[C@H](N)CCO2)c1O	844912624	UXNPSPJDJOOHAM-FMKPAKJESA-N	365.430	2.170	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CC[C@@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])c1	840378398	RTXAKDIJQYWMIP-RYWCDNDXSA-N	357.370	2.201	10	10	FECE	
CN1CCN(c2ccc(CN[C@H]3CCCN4CCSC[C@@H]34)cc2)CC1	922522712	GACRTJBVAHBOMG-PMACEKPBSA-N	360.571	2.108	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)Nc1cnns1	755345578	AFQSVFYAFOKCCE-UHFFFAOYSA-N	372.498	2.392	10	10	FECE	
Cc1cc(C)c([C@@H](C)N[C@H]2CCN(c3ccc4nncn4n3)C2)c(O)c1	858490132	UNGCMBNLJGJPJD-CABCVRRESA-N	352.442	2.376	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3nnc(C4CC4)o3)C2)cc1	854296076	BKDUTFSNDHVYTF-CYBMUJFWSA-N	357.414	2.034	10	10	FECE	
COc1ccc(N2CCC(NC(=O)NCCc3cncc(C)n3)CC2)cc1	852608267	WTBDENHGXUKCFK-UHFFFAOYSA-N	369.469	2.304	10	10	FECE	
O=C(NCCCSc1nccs1)NC[C@@H]1CCN1C1CCOCC1	921447336	FYFZBXJRWHTBCY-AWEZNQCLSA-N	370.544	2.178	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	865027204	JGVIKIRGHZOVRI-CABCVRRESA-N	360.376	2.447	10	10	FECE	
C[C@@H](NC(=O)[C@H]1CCCN(C2CC2)C1=O)c1ccc(N2CCOCC2)cc1	930743078	BWZCBOWGTOXSPY-DNVCBOLYSA-N	371.481	2.101	10	10	FECE	
CNCCOCCN(C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	861573399	GVYHQBMVLGWXFK-UHFFFAOYSA-N	362.518	2.300	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3n[nH]cc3C(F)(F)F)C2)cc1	869228470	JLGGOJZPWLQKSO-JTQLQIEISA-N	354.332	2.446	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)[C@H]2CNC(=O)c3ccccc32)cc1	862128302	FBJBPNNPGCRSGM-IBGZPJMESA-N	367.449	2.117	10	10	FECE	
Cc1cc(C(=O)CN2CC[C@]3(CNC(=O)C3)C2)c(C)n1-c1ccccc1	789359125	WTQZXWQXHBGBIA-NRFANRHFSA-N	351.450	2.489	10	10	FECE	
C[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@H]1COc2ccccc21	785422610	OWLJATZVKDYNDP-RDTXWAMCSA-N	367.449	2.050	10	10	FECE	
O=C(COc1ccc(CO)cc1)NCc1cccc(Br)c1O	1156791901	KMGAFBGIGOARAU-UHFFFAOYSA-N	366.211	2.342	10	10	FECE	
C[C@H](NC(=O)c1cc(S(C)(=O)=O)ccc1N)c1ccc(N(C)C)cc1	1154667971	ASPIPUKGJHCNFK-LBPRGKRZSA-N	361.467	2.229	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCN[C@@H](Cc2ccc(F)cc2)C1	1301668125	PBQBCIDPSQVMBL-LYLYKKCESA-N	356.397	2.293	10	10	FECE	
Cc1ccc(N2C[C@@H](C(=O)NCc3c(O)cccc3O)CC2=O)cc1F	1304051642	ZOBFFHMYRDLVCQ-LBPRGKRZSA-N	358.369	2.215	10	10	FECE	
COc1ccc(CCC(=O)NCc2cc(O)ccc2O)c(OC)c1OC	1176748692	ZTZNVUYMVVKTSR-UHFFFAOYSA-N	361.394	2.373	10	10	FECE	
CN(C)c1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2CO)cc1	2116264432	FGFFUCMQRYHQHK-SJLPKXTDSA-N	363.502	2.460	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1CC(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2124509961	ZNMXGBOVTBDQEJ-MELADBBJSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C1	2124532040	IFZMFJRFVBYVTG-GUYCJALGSA-N	367.450	2.440	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](CNCc2ccc(O)c(O)c2)OCC12CC2	2129223030	WGFUXHPOZBLBBF-AWEZNQCLSA-N	364.442	2.356	10	10	FECE	
CCOCc1nnc(N2CCOCC2)n1CCCSc1nccs1	1503128042	JYSSGKBAJRFFMR-UHFFFAOYSA-N	369.516	2.290	10	10	FECE	
CCOCc1nnc(N(C)Cc2ccccc2O)n1Cc1nnc(C)s1	1503018656	XCLOUTHRMCDCEE-UHFFFAOYSA-N	374.470	2.365	10	10	FECE	
CCc1nnc(N2CCCOCC2)n1Cc1ccc2c(c1)CCCN2C	1293072703	RVVZYOMZYLNRHH-UHFFFAOYSA-N	355.486	2.498	10	10	FECE	
C[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@H](C)CCO1	1527716119	QTLQVMCIHGJXDI-HZPDHXFCSA-N	361.486	2.357	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1Cc2cccnc2C1	1521014061	BGXJZQXFTJSEPJ-LJQANCHMSA-N	365.477	2.322	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc([N+](=O)[O-])cc(C)n1	1469230240	IEABBNJKQUUAEH-UHFFFAOYSA-N	373.365	2.209	10	10	FECE	
COC[C@@]1(C(=O)OC)CCCCN1Cc1cc(F)cc(C(C)=O)c1O	1473671546	GPIKCOOBUCHNND-GOSISDBHSA-N	353.390	2.278	10	10	FECE	
CS(=O)(=O)c1ccc(F)c(CNC(=O)NCc2c(O)cccc2F)c1	1478517798	USNRJFMFSBHORE-UHFFFAOYSA-N	370.377	2.073	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1ccc(O)nn1	1628197185	FMOJHIYRSFCTKE-UHFFFAOYSA-N	350.378	2.332	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1cc(N2CCNC2=O)ccc1Cl	1558175001	XGZPIYIDPKZMDZ-UHFFFAOYSA-N	361.785	2.211	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C	1556157888	MFKOWOKXZLBKAR-UBHSHLNASA-N	364.442	2.306	10	10	FECE	
O=C(CCN1CCN(c2ccccc2)CC1)NCc1c(O)cccc1F	1652295711	QCYXLJFAQUCPBH-UHFFFAOYSA-N	357.429	2.360	10	10	FECE	
CC[C@H](C)N1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC1	1683701641	FYQGUCOMBGMKQH-SFHVURJKSA-N	373.545	2.064	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(Cc2c(O)cccc2F)C1	1964724401	MOJZSXRHJWUVGL-QGZVFWFLSA-N	354.378	2.085	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(CCC(=O)NCc2ccccc2O)CCOC1	1964891973	YJERVOYKCTYMBU-LJQANCHMSA-N	364.442	2.472	10	10	FECE	
NCc1cnn(Cc2cc(Cl)ccc2O)c1I	2070410552	FGHMMYVJHXQNOK-UHFFFAOYSA-N	363.586	2.354	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N(C)[C@H](C)c1ccccc1O	2060430269	MYHKAXYRCNOUIH-YWPYICTPSA-N	352.431	2.186	10	10	FECE	
COc1cc(N)c(N2CCC(CNC(=O)C(F)(F)F)CC2)cc1OC	2106842601	ZXKJOYXVOZXIAT-UHFFFAOYSA-N	361.364	2.181	10	10	FECE	
C[C@H](CNCc1cccc(O)c1O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1	2230089422	AFVOZKDOOYVNPJ-BFUOFWGJSA-N	366.458	2.195	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(CC(=O)Nc1ccc(N)cc1)C2	2272655442	PGXILZIRSYHYMM-BFUOFWGJSA-N	360.458	2.054	10	10	FECE	
CNC(=O)c1cncc(C=CC(=O)N2CCCN(C)c3ccc(F)cc32)c1	2297626286	WEIVDTRJHODYNA-UHFFFAOYSA-N	368.412	2.467	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2312334124	MENLOMNZXNJVQS-NDBYEHHHSA-N	353.423	2.216	10	10	FECE	
CN[C@H](c1ccccc1O)[C@@]1(O)C[C@@H](OC)CN(C(=O)OC(C)(C)C)C1	2344425849	YUSFZEUBEPQLKL-VVFCZOMOSA-N	366.458	2.040	10	10	FECE	
COc1cc(/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1O	20356254	CJRDTIOOZAQISO-PKNOWDFQSA-N	371.422	2.073	10	10	FECE	
COc1ccc([C@H]2CC(=O)NC(NC(=O)c3cccc(N(C)C)c3)=N2)cc1	20924740	JAZFTFPOCVJKGS-QGZVFWFLSA-N	366.421	2.108	10	10	FECE	
COc1ccc(O)c(CNCCN(C[C@@H](C)O)C(=O)OC(C)(C)C)c1	305881167	AXUOUTUMUFGOOP-CYBMUJFWSA-N	354.447	2.108	10	10	FECE	
Cn1cc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccc1=O	194807232	OZPYLBFAUKIGPM-MRXNPFEDSA-N	357.410	2.304	10	10	FECE	
O=C(c1cc(O)nc(O)c1)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1	238866066	LUPNNBZRCNVADU-NSHDSACASA-N	369.299	2.200	10	10	FECE	
Cc1cnc(CCN(C)C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1	807676541	HJHMXONUDBYVOT-CQSZACIVSA-N	374.510	2.396	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@H]34)cc2)C1	902758206	DSAGVYQAAHFEJH-QZTKYZJBSA-N	369.509	2.291	10	10	FECE	
Cn1nccc1[C@@H](NCc1cc([N+](=O)[O-])ccc1O)C(=O)OC(C)(C)C	830689390	KPNXJTMFGZPANJ-OAHLLOKOSA-N	362.386	2.207	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[C@H]2C1)c1ccc(N2CCOCC2)cc1	834664596	FHRNNZCYABYBKB-XOYOTBSWSA-N	371.481	2.005	10	10	FECE	
C[C@H](NC(=O)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21)c1ccc(N(C)C)cc1	836405576	IBBCWTVYEIMHPA-JQFCIGGWSA-N	365.499	2.175	10	10	FECE	
CO[C@H]1COCC[C@H]1CC(=O)NCc1cc(Br)ccc1O	831932969	OSFNDVWUMNVUJF-HZMBPMFUSA-N	358.232	2.213	10	10	FECE	
COc1cc(Br)cc([C@H](C)NC[C@H](O)CN2CCCC2)c1O	848524850	XWMXCMJKXQDCES-AAEUAGOBSA-N	373.291	2.271	10	10	FECE	
CN(c1ccc(CNC(=O)N2CCOC3(CNC3)C2)cc1)C1CCCCC1	841760606	UBESBPCEKBXJCC-UHFFFAOYSA-N	372.513	2.339	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)C(C)(C)c3nccs3)cc2)CC1	918829684	FGYOSWZWJRXJGT-UHFFFAOYSA-N	358.511	2.489	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2nn3c(c2C)OCCC3)cc1	844857187	RMGVKSSFMRINLF-UHFFFAOYSA-N	358.442	2.191	10	10	FECE	
C/C(=C\c1cccnc1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21	846793246	ZGBYHNAMZXWJCO-SDNWHVSQSA-N	371.462	2.325	10	10	FECE	
CC[C@@H](C(=O)OC(C)(C)C)N(C)CC(=O)NCc1ccc(N(C)C)cc1	844474294	NKTHEJQVRNWVDW-KRWDZBQOSA-N	363.502	2.421	10	10	FECE	
O=C1N(Cc2ccc(N3CCC(O)CC3)c(F)c2)C(=O)[C@]23C[C@H]2CCCN13	924486816	DUIHICCSAQMHEF-VLIAUNLRSA-N	373.428	2.104	10	10	FECE	
COCc1ccc(OC)c(S(=O)(=O)NCc2c(O)cccc2F)c1	921452024	APLLUHWCSIMRSM-UHFFFAOYSA-N	355.387	2.165	10	10	FECE	
COc1ccc(CNC(=O)NCCc2cccc3c2OCCO3)c(O)c1	927553397	HZUXOSLSMDNBTM-UHFFFAOYSA-N	358.394	2.214	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)Cn3ccnc3C)C2)cc1	853589537	UOEQRMRHYXVIHL-RDJZCZTQSA-N	371.485	2.414	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(F)(F)C3CCOCC3)C2)cc1	855226056	PWJCWAFDRRSTGO-CQSZACIVSA-N	354.397	2.452	10	10	FECE	
O=C(Nc1ccc(O)c(CNC(=O)[C@H]2CCCCO2)c1)[C@@H]1CCCCO1	923121801	LBJJHBVWAUKXOD-SJORKVTESA-N	362.426	2.085	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCN3C(C)(C)C)C2)cc1	852414581	RFWCZFGKJOGYAE-DOTOQJQBSA-N	360.502	2.446	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/COC1CCOCC1	864634281	JQICUQGGMKQSNZ-NSCUHMNNSA-N	374.481	2.233	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccnc1N1CCC(CO)CC1	862263258	UDZCZGRBDHKADI-XQRVVYSFSA-N	369.421	2.353	10	10	FECE	
CC(=O)N1CCc2ccc(S(=O)(=O)N3Cc4cccc(O)c4C3)cc21	867691546	ZPGYVMSWEJDCEK-UHFFFAOYSA-N	358.419	2.006	10	10	FECE	
CCC1(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)COC1	768910545	FOMCYCUIHSJFLF-UHFFFAOYSA-N	357.498	2.261	10	10	FECE	
C[C@H](O)CN(CCN[C@H](C)c1ccc(O)cc1O)C(=O)OC(C)(C)C	394138300	PSYMALIFDGDDAW-QWHCGFSZSA-N	354.447	2.366	10	10	FECE	
CCS(=O)(=O)c1ccc(CC(=O)NCc2ccc(OC)cc2O)cc1	794381622	QJHWGJBTQXDPLV-UHFFFAOYSA-N	363.435	2.053	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNCc2ccc(F)c(F)c2O)C[C@H]1O	2116208946	OUWQWRAZNMMBAM-ZLKJLUDKSA-N	372.412	2.424	10	10	FECE	
C[C@@H](C(=O)N1CC[C@H](CN=[N+]=[N-])C1)N1CCN(C(=O)OC(C)(C)C)CC1	2124513666	QWMVBVAQBIBTKH-UONOGXRCSA-N	366.466	2.086	10	10	FECE	
Nc1ccc(CS(=O)(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)cc1	1915215622	DNKMCMUHRGLCKM-IBGZPJMESA-N	360.479	2.372	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)c3cccc4ncnn34)CC2)cc1	1466208859	SNAZWOMRHFOGGJ-UHFFFAOYSA-N	351.410	2.090	10	10	FECE	
C[C@H](NC(=O)N[C@@H]1CC[C@@H]2CN(C)C[C@H]21)c1ccc(N2CCOCC2)cc1	1520714487	FSGLGMMHIVWNCV-JQERWDHBSA-N	372.513	2.224	10	10	FECE	
C[C@H](NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1cc(O)ccc1O	1918959936	DNEWKYALWWSBCC-SGTLLEGYSA-N	352.431	2.120	10	10	FECE	
CC(C)C[C@@H](CO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1471548161	QWYLGBZJXVHKOR-WMZOPIPTSA-N	350.507	2.062	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1(c2cccnc2)CC1	1543233198	GMFYLHWBYLOZCU-UHFFFAOYSA-N	355.413	2.405	10	10	FECE	
COCCNC(=O)CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1	1641965540	SQDPWTYUNPJJEQ-UHFFFAOYSA-N	357.366	2.000	10	10	FECE	
COc1ccc(CNC/C=C\CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cc1C	1699306697	GKODOHNFHNTVQT-WFRZBGSESA-N	368.481	2.303	10	10	FECE	
NC(=O)c1ccccc1NC1=NC(=O)/C(=C\c2ccc(O)c(O)c2)S1	208333972	KYMJCEFFYOWHEL-RIYZIHGNSA-N	355.375	2.279	10	10	FECE	
CC[C@H](C(=O)NCCc1ccc(O)c(O)c1)n1cnc2ccccc2c1=O	1860186733	VPVXKLODFDBKOM-MRXNPFEDSA-N	367.405	2.118	10	10	FECE	
O=C(OCc1ccccc1)N1CCOC[C@H](NCc2ccc(O)c(O)c2)C1	1946791906	GSNXOWOVVKTOBW-QGZVFWFLSA-N	372.421	2.225	10	10	FECE	
C[C@H](N)c1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@H]32)cc1Br	2151274471	LLPDLZGQDNLPLH-IMSIIYSGSA-N	359.289	2.092	10	10	FECE	
Nc1cc2c(cc1N1CC(NC(=O)OCc3ccccc3)C1)CCC(=O)N2	1999522730	DEDJJWKQAUPGTI-UHFFFAOYSA-N	366.421	2.269	10	10	FECE	
CCOC(=O)[C@@]1(NCCN=[N+]=[N-])CN(Cc2ccccc2)[C@]2(CCOC2)C1	2156294976	DUUBRWPDALPARH-MOPGFXCFSA-N	373.457	2.253	10	10	FECE	
COc1cccc(C=C2SC(=S)N(CCN3CCOCC3)C2=O)c1	2040494983	BLZGRFZDUKPSIA-UHFFFAOYSA-N	364.492	2.229	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@H](NCc2ccc(O)c(O)c2)CCO1	2036666046	GFGRWNLMMLZJMG-ZIAGYGMSSA-N	352.431	2.260	10	10	FECE	
CP1(=O)CCN(c2cc3c(cc2Br)[C@@H](O)C(=O)N3)CC1	2171995922	IELFNKLIIGYMBY-GFCCVEGCSA-N	359.160	2.248	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC(N=[N+]=[N-])CC2)CCCOC1	2060616425	ALNUYFUWNJONNX-MRXNPFEDSA-N	353.423	2.362	10	10	FECE	
CO[C@@H](C(=O)N1CCC[C@@H](N=[N+]=[N-])C1)C1CN(C(=O)OC(C)(C)C)C1	2060633464	OCLLLIYYQIPVFK-CHWSQXEVSA-N	353.423	2.170	10	10	FECE	
CN(C(=O)C1=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1	2080948256	SHCQNRQPOLDFJT-CABCVRRESA-N	350.390	2.373	10	10	FECE	
CN(C)C[C@H](O)CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21	2106608695	VZEBVFHWDZJKHP-KRWDZBQOSA-N	363.502	2.386	10	10	FECE	
CC(C)(C)OC(=O)N1CCOCCN1CCC(=O)Nc1ccc(N)cc1	2106739167	WSDASVASRCZSMX-UHFFFAOYSA-N	364.446	2.082	10	10	FECE	
O=C(O)[C@@]1(CO)CCCN1Cc1cc(Cl)cc(Br)c1O	2201056821	RULJBTFWRAWBTB-ZDUSSCGKSA-N	364.623	2.220	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])C1	2218746511	XJAFGKWNHPOQNA-MKBNYLNASA-N	353.423	2.096	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])C1	2218746610	RDFPXPZDOUFVIK-FRRDWIJNSA-N	353.423	2.360	10	10	FECE	
COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)NCc1cccnc1	2294317212	XMPXXCUXWFOKQB-UHFFFAOYSA-N	364.405	2.411	10	10	FECE	
O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1coc2ccccc2c1=O	2297350853	TVYQVRFFMXCNOC-UHFFFAOYSA-N	360.325	2.459	10	10	FECE	
Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccccc3C(=O)O)C2=O)cc1	103790217	BGURZFCNUXRMND-GXDHUFHOSA-N	365.345	2.272	10	10	FECE	
CCN1CCN(C(=O)/C=C/c2cncc(C(=O)NC)c2)c2ccccc21	171892499	XYEXMMMXVJZYMZ-CMDGGOBGSA-N	350.422	2.328	10	10	FECE	
CCN[C@H]1C(=O)Nc2cc(N(C)CC(C)(C)O)c(Br)cc21	118775027	HWZMJYKTQKRIAR-CYBMUJFWSA-N	356.264	2.259	10	10	FECE	
Cc1cc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1F	73755466	AGMZAKSELFWLFV-CQSZACIVSA-N	364.442	2.492	10	10	FECE	
O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\NCc1ccccc1	254747205	VIOSOYUANNSSKW-QBFSEMIESA-N	355.394	2.247	10	10	FECE	
CC(C)(C)N1C[C@@H](NC(=O)/C=C\c2ccc(N3CCOCC3)cc2)CC1=O	255311504	PDGSSNHFYDLPQU-SKHCZCESSA-N	371.481	2.052	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N(C)[C@@H]3CCN(C4CC4)C3)C2)cc1	824692509	DTCYEVBIXTZSRG-QFBILLFUSA-N	372.513	2.400	10	10	FECE	
CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1	730077917	JBWLAVHTGOBKAB-MLGOLLRUSA-N	367.490	2.456	10	10	FECE	
Cc1cc(CC(=O)N[C@H](C)[C@@H]2CN(C)CCO2)c(C)n1-c1ccccc1	830627432	IGTFPWDAODFODW-UZLBHIALSA-N	355.482	2.472	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3CCC([C@@H]4COC(=O)N4)CC3)ccc21	915390779	PWBVIEQOVVXGRD-KRWDZBQOSA-N	372.469	2.099	10	10	FECE	
CCN(OC)C(=O)CNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C	844072263	XOZWDFRIIHUNSW-UHFFFAOYSA-N	359.426	2.242	10	10	FECE	
COC(OC)[C@@H](C)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	923676659	UEYMPBZWSOOMMR-UKRRQHHQSA-N	352.431	2.090	10	10	FECE	
CN1CCCc2cc(CN3C(=O)N[C@H](CC4CCOCC4)C3=O)ccc21	924544375	WKUVUAKKMBLDPP-QGZVFWFLSA-N	357.454	2.306	10	10	FECE	
CC(C)=CC[C@H]1NC(=O)N(Cc2ccc(N3CCN(C)CC3)cc2)C1=O	925080284	UFUREYUPRVVJCO-GOSISDBHSA-N	356.470	2.215	10	10	FECE	
Cc1cc(CN2C[C@@H](C(=O)O)C[C@H](c3cnn(C)c3)C2)ccc1N(C)C	923263339	DCKWTWRJGYIMQR-IRXDYDNUSA-N	356.470	2.485	10	10	FECE	
COc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c1	853736576	GWHZSHWYYHKIMF-RHSMWYFYSA-N	358.442	2.345	10	10	FECE	
COc1cc(Br)cc([C@H](C)NC[C@@H]2COCCN2C)c1O	858522895	KYSUHZGLZGDLIR-CMPLNLGQSA-N	359.264	2.145	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CCCC(F)(F)[C@H]3O)C2)cc1	854297034	IMUOENMQRPEXJO-WQVCFCJDSA-N	369.412	2.122	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NCC1(OCCO)CCC(F)(F)CC1	862743496	SHJFPONCJHEDGM-RQOWECAXSA-N	371.380	2.184	10	10	FECE	
CC(=O)OCCN(C)c1ccc(/C=C2/N=C(c3cccnc3)OC2=O)cc1	764414081	PPUUTBMQSASMDY-LDADJPATSA-N	365.389	2.425	10	10	FECE	
CO[C@@H]1CN2C(=O)N([C@H](C)Cc3ccc(N(C)C)cc3C)C(=O)[C@]2(C)C1	865311843	KTWLIRJFUHDQHA-LIVBEALHSA-N	359.470	2.434	10	10	FECE	
C[C@@H]1OCCO[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	931202057	BVJWCJTUMWOOLV-IPELMVKDSA-N	362.470	2.064	10	10	FECE	
CC(=O)C1CCN(C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1	872812413	IYIFWUPHPZOQJP-UHFFFAOYSA-N	371.481	2.071	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N(C)c2cc(OC)cc(OC)c2)c1	786672045	RSZPFKALGLPDTB-WAYWQWQTSA-N	355.394	2.135	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCC[C@@H](N3CCNC3=O)C2)c1	781902233	OXSXSQNSTYCRJZ-CYBMUJFWSA-N	368.275	2.453	10	10	FECE	
Cc1ccc(C(=O)NC[C@H](CO)Cc2ccc(F)c(F)c2)c(O)c1O	791493308	LEDQVZYYENQUAW-GFCCVEGCSA-N	351.349	2.265	10	10	FECE	
Nc1ccc(CS(=O)(=O)NCc2cncc(Br)c2)cc1	703102761	MFHBLYMEHOKNDE-UHFFFAOYSA-N	356.245	2.046	10	10	FECE	
O=C(NCCCSc1nccs1)c1cccc(Nc2nn[nH]n2)c1	1136661795	PSPCRFDSANFCLK-UHFFFAOYSA-N	361.456	2.312	10	10	FECE	
Nc1ccc(OCC(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1	705976962	UZYDUPITSZECAV-ROUUACIJSA-N	351.450	2.238	10	10	FECE	
CC(C)(C)OC(=O)NCC[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1	1304264215	RTGCXLNGRCAFIH-ZDUSSCGKSA-N	364.442	2.404	10	10	FECE	
C[C@H](N[C@H](C)c1cc(O)ccc1O)C1(O)CN(C(=O)OC(C)(C)C)C1	1918672106	QWYWYXMYVPYJQO-NEPJUHHUSA-N	352.431	2.119	10	10	FECE	
COC1(C)CN(c2nnc(C)n2Cc2ccc(N3CCSCC3)cc2)C1	1315259881	ITCDIICQQXIIHP-UHFFFAOYSA-N	373.526	2.413	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](CC(=O)N2CCC(CN=[N+]=[N-])CC2)[C@@H](O)C1	2124533766	FVWFOYXMPKVPJY-KBPBESRZSA-N	367.450	2.153	10	10	FECE	
COc1cccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)c1O	1445963258	BDMYQDDYQYABOY-ZDUSSCGKSA-N	358.369	2.209	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N(Cc1ccc(-n2cncn2)cc1)C1CC1	1617553274	SXCMAONOEBTOAU-UHFFFAOYSA-N	364.405	2.412	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)NCc2cc(O)ccc2O)C1	1633598937	IKOZNKAUOJJTBI-QGZVFWFLSA-N	354.378	2.063	10	10	FECE	
COc1ccc(CNC[C@H](NC(=O)[C@@H]2CCN(C)[C@@H]2C)C2CC2)cc1C	1569302926	FQOBOBHCBDEQET-LZQZEXGQSA-N	359.514	2.328	10	10	FECE	
Cc1cc(CN2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)ccc1N(C)C	1643812030	ZTCCHDFQERQCCF-UKRRQHHQSA-N	364.433	2.468	10	10	FECE	
C[C@H](NC(=O)CSc1ccc(S(N)(=O)=O)cc1)c1ccccc1O	1643745320	KYQMSKMDAVHGNM-NSHDSACASA-N	366.464	2.009	10	10	FECE	
Cc1ccc(-c2nnn(CC(=O)NCc3cc(Cl)ccc3O)n2)cc1	1640920371	PJHUDDLHUXAOHY-UHFFFAOYSA-N	357.801	2.324	10	10	FECE	
O=C(CCn1nnc2ccccc2c1=O)NCc1c(O)ccc2ccccc12	1652705518	ILZNNGHEMNCXNO-UHFFFAOYSA-N	374.400	2.357	10	10	FECE	
O=C(NCCCSc1nccs1)N1CCN(Cc2ccon2)CC1	154676242	ZHMSCLFXPIHJPS-UHFFFAOYSA-N	367.500	2.141	10	10	FECE	
Cc1ccc(O)c(CNCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1	1860720519	GEVIEWVAUOOKPB-UHFFFAOYSA-N	368.481	2.181	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)C2CCNCC2)N2CCCCC2)cc1	1865871899	VCBQWWRTNRCSTK-HXUWFJFHSA-N	358.530	2.395	10	10	FECE	
CN1CCc2cc([C@@H](CN)N3CC[C@H](NC(=O)OC(C)(C)C)C3)ccc21	1881145642	KFXHSEBGVOREIE-FUHWJXTLSA-N	360.502	2.278	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)C1CN(C(=O)OCc2ccccc2)C1	1963596164	WMLYTBMYJSNACL-UHFFFAOYSA-N	370.405	2.025	10	10	FECE	
COc1ccc(Br)c(CNCC(C)(C)S(C)(=O)=O)c1O	1964619738	WMXSOPFJEMICHJ-UHFFFAOYSA-N	366.277	2.076	10	10	FECE	
Nc1ccc(CC(=O)N[C@H]2CCN(C(=O)OCc3ccccc3)C2)cc1	1977672670	OLJZSPUMUIQEEZ-SFHVURJKSA-N	353.422	2.339	10	10	FECE	
C[C@H](O)c1ccc(N2CC[C@H]3CS(=O)(=O)C[C@H]32)cc1Br	2151273733	QGXPYACMRWRHLC-PKFCDNJMSA-N	360.273	2.126	10	10	FECE	
CCCN(C[C@H](O)CN1C(=O)c2ccccc2C1=O)c1ccc(CN)cc1	2025439347	BTHJSKTVZANRJF-KRWDZBQOSA-N	367.449	2.019	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1	866597156	ONEFTKVLMLYBCH-LJQANCHMSA-N	364.442	2.377	10	10	FECE	
C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)COc1ccc(N)cc1	2106259110	IIBVGAQFGSKCOC-BBRMVZONSA-N	363.458	2.409	10	10	FECE	
COc1ccc(Br)c(CN[C@@H](CO)c2cscn2)c1O	2236054045	DKBAINVUMUMGBH-JTQLQIEISA-N	359.245	2.443	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2(C(=O)NCCCCN=[N+]=[N-])C1	2264328752	UCDKCRIPVQLRCH-LRDDRELGSA-N	353.423	2.219	10	10	FECE	
C[C@H](NCc1cccnc1-n1cncn1)c1ccc(N2CCOCC2)cc1	178047848	KEOZRGNKVAZPME-INIZCTEOSA-N	364.453	2.350	10	10	FECE	
CC1=NN(c2ccc3nncn3n2)C(=O)/C1=C\Nc1ccc(Cl)cc1	36359016	UZDFGHJGFGYXLD-JYRVWZFOSA-N	353.773	2.496	10	10	FECE	
COc1cc(Br)cc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c1O	120583349	TXUWSAPPSDFVOX-NWDGAFQWSA-N	373.291	2.050	10	10	FECE	
Cc1ccc(-n2c(C)cc(C(=O)CN3C[C@@H](O)C[C@@H]3CO)c2C)cc1C	184741789	MVMUXFQMYZXWAI-MOPGFXCFSA-N	356.466	2.321	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCCN1CCOCC1	46751024	IYIWOUJLDHEDPT-UHFFFAOYSA-N	362.518	2.397	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(=O)N(C)Cc3ccccc3)CC2)cc1	244136488	UMRZGTYJKGAUEE-UHFFFAOYSA-N	367.449	2.002	10	10	FECE	
O=C1/C(=C/c2cccc(F)c2F)SC(=S)N1CCN1CCOCC1	264492815	PWNIGONLHQZPGG-RAXLEYEMSA-N	370.446	2.498	10	10	FECE	
CCN1CC[C@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)[C@@H](C)C1	269708021	QXQWPLHAPRSICH-PXNSSMCTSA-N	374.529	2.395	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)CO[C@H](C)c3nccn3C)C2)cc1	819589072	CCDIWDIZCFFZCP-HZPDHXFCSA-N	372.469	2.149	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1	837626401	KLAXNUFIXMRTGE-MISYRCLQSA-N	373.497	2.358	10	10	FECE	
COC(=O)C1CCC(S(=O)(=O)NCc2cc(Cl)ccc2O)CC1	916704300	JKVGDBLSCYWWDQ-UHFFFAOYSA-N	361.847	2.197	10	10	FECE	
Cc1cc(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c(C)n1-c1ccccn1	742889491	KJPOFJFZYLJLHL-SRCQZFHVSA-N	352.438	2.228	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)c3cn(C)nn3)ccc21	845112198	OUJZNLRWAJJPBI-UHFFFAOYSA-N	370.409	2.073	10	10	FECE	
COc1ccc(N(C)CCN(C)c2nnc([C@@]3(C)CCCO3)n2C)cc1	846296769	VNJHCOKOYFGTLD-LJQANCHMSA-N	359.474	2.422	10	10	FECE	
C[C@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c2ncnn21	849359908	VWSCLRFEXLSIQX-JOYOIKCWSA-N	361.789	2.107	10	10	FECE	
CC1(C)C[C@@H](S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CO1	859001735	ZFSSSTWKNDJSEJ-HZPDHXFCSA-N	369.483	2.271	10	10	FECE	
C[C@H]1C[C@H](NC(=O)NCc2cc(Br)ccc2O)c2ncnn21	852477914	NIRFBWUAKRWLSQ-KWQFWETISA-N	366.219	2.251	10	10	FECE	
CN(C)c1ccc(CNC[C@@H]2CN(Cc3ccncc3)CCO2)cc1F	858306300	LJDHQARLPBMBQI-GOSISDBHSA-N	358.461	2.277	10	10	FECE	
CC(=O)Nc1cccc(NC(=O)[C@@H](C)OC(=O)c2cccc(O)c2O)c1	758555968	AORZOJBJVZYQMB-SNVBAGLBSA-N	358.350	2.240	10	10	FECE	
C[C@H](NC(=O)NCc1ccnc(N2CCN(C)CC2)c1)c1ccccc1O	868055796	BZPVDSGOKJPVLO-HNNXBMFYSA-N	369.469	2.099	10	10	FECE	
COc1ccc(N2CCN(c3nccc4c(O)ncnc34)CC2)c(OC)c1	866137947	FWSFOANCMQVMCG-UHFFFAOYSA-N	367.409	2.074	10	10	FECE	
O=C(COC(=O)c1cc(N2CCCC2=O)ccc1F)c1ccc(O)c(O)c1	783856018	QYKIIVHZWQSMDF-UHFFFAOYSA-N	373.336	2.403	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N(C)C[C@H](O)COCc1ccccc1	1916365616	ZKTARROIEXJPGQ-BEFAXECRSA-N	357.454	2.105	10	10	FECE	
Cc1cc(C(=O)NCc2nc(CO)n[nH]2)c(C)n1-c1ccc(Cl)cc1	1453808489	QZDQAZJSMRSWKF-UHFFFAOYSA-N	359.817	2.288	10	10	FECE	
C[C@@H](NCC(=O)NCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1O	1473722996	UXKBCOUGJGBWNO-LLVKDONJSA-N	363.364	2.076	10	10	FECE	
C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)NCCc1ccccc1	1624208991	CPALUASHXWUDQN-ZDUSSCGKSA-N	367.409	2.326	10	10	FECE	
CN(Cc1ccccc1O)C(=O)NCCc1cnc2c(Cl)cnn2c1	1635562126	PQBIRLWOIPVPEU-UHFFFAOYSA-N	359.817	2.472	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H](O)c3ccccc3OC)CC2)cc1	1631277381	QPSSLPMNUDZMAT-LJQANCHMSA-N	356.422	2.086	10	10	FECE	
C[C@H](C(=O)NCc1c(O)cccc1O)N1CCN(c2ccc(F)cc2)CC1	1645361128	XNMZJDOPUWLKFG-CQSZACIVSA-N	373.428	2.064	10	10	FECE	
CCOCCN1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H]1C	155717018	ZYWIQEWVQVFODS-GOSISDBHSA-N	372.513	2.315	10	10	FECE	
Nc1ccc(CCC(=O)NC[C@H]2COCCN2Cc2ccccc2)cc1	1880809850	IUMVTQYTOPAQSE-FQEVSTJZSA-N	353.466	2.219	10	10	FECE	
CCN(CCC(=O)NCCc1ccc(O)c(O)c1)C(=O)OC(C)(C)C	1963688420	UDJKSFUBTGFZAU-UHFFFAOYSA-N	352.431	2.404	10	10	FECE	
COCCOCCN(Cc1ccccc1)c1ccc2c(c1)N(C)C(=O)[C@H]2O	2152214158	AVEPMUUPANHLOI-FQEVSTJZSA-N	370.449	2.366	10	10	FECE	
C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1CNC(=O)OC(C)(C)C	870370348	MZBRXJFAKZMKGX-NWDGAFQWSA-N	350.415	2.331	10	10	FECE	
CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2060633116	KBHGYGJCQNQJOS-CHWSQXEVSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@@H](N=[N+]=[N-])C2)OCC12CC2	2064049127	CDVATCPVCALKEF-VXGBXAGGSA-N	351.407	2.066	10	10	FECE	
CO[C@H](CCNC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccccc1O	2072472105	VYUMGHADRXLVSL-IUODEOHRSA-N	352.431	2.499	10	10	FECE	
CC(C)(C)OC(=O)NC1[C@@H]2CN(c3cc4c(cc3N)NC(=O)CC4)C[C@@H]12	2107819892	IUPPQMFQDLYQPP-VXGBXAGGSA-N	358.442	2.113	10	10	FECE	
C[C@@H]([C@@H](C)N(C)c1ccc(CO)cc1Br)S(C)(=O)=O	2114228386	PBCSAXVKYDJOQA-ZJUUUORDSA-N	350.278	2.199	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-]	2218737380	HBOKLNZZXAAWQR-MKBNYLNASA-N	353.423	2.096	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2OCCC[C@@]2(C(=O)NCCCN=[N+]=[N-])C1	2221344270	ZNTQQYYWFNZOQY-MLGOLLRUSA-N	353.423	2.219	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2c2ccc3c(c2)OCCO3)C1	2226759172	GVHNCUXMUJTFKW-CQSZACIVSA-N	362.426	2.018	10	10	FECE	
COc1ccc(N2CC[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)C2)cc1OC	2226800446	SXNFMZLEBUIOBB-DZGCQCFKSA-N	366.458	2.416	10	10	FECE	
CC(C)(C)OC(=O)N(CCO)CCC(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2319825367	VUVARBWYQGZYLX-CYBMUJFWSA-N	355.439	2.297	10	10	FECE	
Cc1noc([C@@H](C)N2CCN(C(=O)NCc3ccc(N(C)C)cc3)CC2)n1	111416353	ITTXIZZJPILWST-CQSZACIVSA-N	372.473	2.032	10	10	FECE	
Cc1ccc(-n2c(C)cc(/C=C\C(=O)N3CCO[C@@H](C(N)=O)C3)c2C)cc1	211330927	GGDQTDLSIVWAPH-WMHRWZGDSA-N	367.449	2.128	10	10	FECE	
COc1ccccc1C(=O)N1CCN(c2ccc3c(c2)OCCO3)CC1	41380029	FYUHEFLBJKYKDZ-UHFFFAOYSA-N	354.406	2.429	10	10	FECE	
O=C(NCC1CCN(C[C@@H](O)c2ccccc2)CC1)c1cccc(O)c1O	193126889	IQVAENIIKGGHQC-LJQANCHMSA-N	370.449	2.273	10	10	FECE	
COc1cc(N2CCC[C@H](c3ccnc(N)n3)C2)c([N+](=O)[O-])cc1OC	193533956	ZUZNGVPESXJZMV-NSHDSACASA-N	359.386	2.368	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H](c2nncn2C2CC2)C1	272493929	SACOIFLBZJWUNU-YOIVXCQUSA-N	354.410	2.444	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N[C@H]2Cc3cncn3C2)CCCC1	623255095	MMMZPOXCTQCKNI-AWEZNQCLSA-N	364.449	2.466	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](c3nc(=O)[nH][nH]3)C2)c1O	289554643	XLRZJQOPDBGNKJ-SNVBAGLBSA-N	350.806	2.039	10	10	FECE	
O=C(N=c1cc[nH]cc1[N+](=O)[O-])NCc1cc(Br)ccc1O	806380317	PCPSFYHBTYVXQM-UHFFFAOYSA-N	367.159	2.202	10	10	FECE	
COc1ccnc(CC(=O)NCc2cc(Br)ccc2O)c1	804740342	DUBRAZLQSSCQOW-UHFFFAOYSA-N	351.200	2.417	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](CN1CCOCC1)c1ccccc1	588403482	KCMOCFDTDABMRS-YPLUBFQTSA-N	368.433	2.301	10	10	FECE	
CO[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CCC1	829263168	ITKPBEDYTVKSHF-SFHVURJKSA-N	350.434	2.218	10	10	FECE	
COC(=O)c1cn([C@@H]2CCCN(C/C=C/c3ccc(N(C)C)cc3)C2)nn1	835047720	VBRADESNONWRID-MJICGBHWSA-N	369.469	2.481	10	10	FECE	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1C[C@@H]2C[C@H]1CS2	838742249	QFIOIUHDHKCUQA-STQMWFEESA-N	369.437	2.201	10	10	FECE	
CN1CCCc2cc(CNC(=O)NC[C@H]3CCN3C3CCOCC3)ccc21	915390862	SUFNQTRHMFTGEM-LJQANCHMSA-N	372.513	2.122	10	10	FECE	
C[C@H]1CN([C@H](C)CNC(=O)NCc2ccc(N(C)C)c(F)c2)C[C@@H](C)O1	847303476	SOHDZAMHTCSSBY-KFWWJZLASA-N	366.481	2.189	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCC(c3nnc4n3CCC4)CC2)cc1	918777778	QVFXQIQQDOOURT-UHFFFAOYSA-N	368.485	2.380	10	10	FECE	
COCc1cc(O)ccc1NS(=O)(=O)c1sc(NC(C)=O)nc1C	840915094	JWQDIOULZDOQOG-UHFFFAOYSA-N	371.440	2.063	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(O)n3)C2)cc1	923186841	KCISZLMIJCKKFL-HNNXBMFYSA-N	356.426	2.216	10	10	FECE	
C[C@@H]1CCc2nc(C(=O)NCc3ccc(N4CCOCC4)cc3)cn2C1	857919352	LRXQQDZJLJCVCV-OAHLLOKOSA-N	354.454	2.232	10	10	FECE	
CO[C@@H]1CCC[C@@H]([C@H](CO)NC(=O)NCc2ccc(N3CC=CC3)cc2)C1	852138914	WAIATKIZBKYGGB-RLLQIKCJSA-N	373.497	2.428	10	10	FECE	
COC(=O)C[C@@H]1COCCN1C(=O)Cc1cc(C)n(-c2ccccc2)c1C	854473475	OZGHCHSFBJJGAJ-LJQANCHMSA-N	370.449	2.427	10	10	FECE	
Cc1ccc(C(=O)Nc2cccnc2N2CCC(CO)CC2)c(O)c1O	862263488	YLTSVBWBBYUFEV-UHFFFAOYSA-N	357.410	2.262	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc2c(c1)COB2O	863870157	YLWGZTZCZOLAGT-UHFFFAOYSA-N	364.254	2.167	10	10	FECE	
CN(C)c1cc(F)c(CNCc2nc(C3CCOCC3)n[nH]2)cc1F	865686109	DPQLBLNKQSAXOG-UHFFFAOYSA-N	351.401	2.333	10	10	FECE	
CCOc1ccc(O)c(CNCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1	1116488647	SYSBAQUHCABNDB-HXUWFJFHSA-N	369.421	2.135	10	10	FECE	
CCc1nc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)no1	775377912	PDUHRXCUPYMUKW-TXEJJXNPSA-N	362.405	2.315	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H](Cn2ccnn2)C1	897165460	WSJVWEUTTPJAGG-LLVKDONJSA-N	358.423	2.456	10	10	FECE	
COc1ccc(O)c(CNS(=O)(=O)c2ccccc2Cn2ccnc2)c1	799776271	OVESMXPTJOKYRY-UHFFFAOYSA-N	373.434	2.124	10	10	FECE	
C[C@H](NC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O)c1ccccc1O	1302538336	NWENZUMPKSGSDY-NSHDSACASA-N	369.352	2.071	10	10	FECE	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(C(=O)O)cc1	1084353202	FLETWBTWPVSQOI-ZROIWOOFSA-N	354.293	2.190	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3cccc(O)c3O)C[C@@H]2C1	2118159494	GFSYZPANZXKLHJ-STQMWFEESA-N	362.426	2.427	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CCO[C@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2124510618	YWSRGBDWNQULCW-ZIAGYGMSSA-N	367.450	2.465	10	10	FECE	
C[C@H](N=c1nc(CN(C)C(=O)OC(C)(C)C)[nH][nH]1)c1cc(O)ccc1O	2128847742	PFFXCBKFHKBUIZ-JTQLQIEISA-N	363.418	2.178	10	10	FECE	
O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1	2132404487	SFNOONYULJBXCQ-ZBFHGGJFSA-N	354.406	2.150	10	10	FECE	
CC[S@@](=O)CCn1c(CC2CC2)nnc1N(C)Cc1ccccc1O	1516871750	IAITTXKUXHVPOU-RUZDIDTESA-N	362.499	2.341	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)c3ccc4ncn(C)c4n3)CC2)cc1	1466210001	ACRXJPAVLUMRKV-UHFFFAOYSA-N	365.437	2.329	10	10	FECE	
COc1ccc(CN[C@@H]2CC[C@H](CNC(=O)Cc3cnn(C)c3)C2)cc1C	1707104041	RBSFDEOZCDCABT-PKOBYXMFSA-N	370.497	2.354	10	10	FECE	
Cc1cc(CC(=O)NCc2cc(=O)c(O)cn2C)c(C)n1-c1ccccc1	1627881514	TUHWFSAWCCUDBD-UHFFFAOYSA-N	365.433	2.357	10	10	FECE	
COC(=O)N1CC(NC(=O)Cn2c3c(c4cc(OC)ccc42)CCCC3)C1	1556267457	ZWIXKJOZZHMFJN-UHFFFAOYSA-N	371.437	2.096	10	10	FECE	
O=C(O)CCOc1ccc(/C=C2\SC(=S)N(CCCO)C2=O)cc1	16937831	NJKODFRVNPAANQ-RAXLEYEMSA-N	367.448	2.124	10	10	FECE	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC(Cn2ccnn2)CC1	154699720	YBQXPWVFRPEXDA-UHFFFAOYSA-N	364.409	2.394	10	10	FECE	
COC(C[C@@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1)OC	1881483252	OLJAVGLXJLKDLF-INIZCTEOSA-N	367.490	2.484	10	10	FECE	
C[C@H](N[C@H]1COCC[C@@H]1NC(=O)OC(C)(C)C)c1cc(O)ccc1O	2031531514	CBZINESWEDFOIO-CQDKDKBSSA-N	352.431	2.431	10	10	FECE	
CN(Cc1ccccc1)C[C@@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1	702371280	OFFCFEPTTAYPRD-HXUWFJFHSA-N	354.498	2.170	10	10	FECE	
CNC(=O)c1nn(Cc2cc(C)ccc2O)c(C(F)(F)F)c1[N+](=O)[O-]	2079177240	GJFBRIWDXVEIRA-UHFFFAOYSA-N	358.276	2.232	10	10	FECE	
COc1ccc(N2CC(CCNC(=O)OC(C)(C)C)(OC)C2)c(N)c1	2044716140	VDEYQQZWFXEDBS-UHFFFAOYSA-N	351.447	2.397	10	10	FECE	
COC1(C(=O)N[C@@H](C)c2ccccc2O)CN(C(=O)OC(C)(C)C)C1	2072481758	KPKCVRIHLNYJFO-LBPRGKRZSA-N	350.415	2.205	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)Nc1ccc(N)cc1	2106287244	YEWYVEKZCCOBEU-CABCVRRESA-N	364.446	2.415	10	10	FECE	
C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1c1cc2c(cc1N)OCC(=O)N2	2106713891	XLQQGRBSRGILDG-JQWIXIFHSA-N	362.430	2.092	10	10	FECE	
C[C@H](CN(C)C(=O)OC(C)(C)C)N(C)C[C@H](O)COc1ccc(N)cc1	2111822607	NKZXYVWCVMUFJM-ZBFHGGJFSA-N	367.490	2.196	10	10	FECE	
Cc1cc(O)cc(C)c1NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O	2212518971	CXBFGBLOBOOISP-UHFFFAOYSA-N	374.418	2.047	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC[C@H]1[C@H]1CNC(=O)C1	121578925	PPYBQSASEGLTEA-AEFFLSMTSA-N	358.486	2.261	10	10	FECE	
CCCN(CCC)C(=O)CC(=O)N1CCN(c2ccc(OC)cc2)CC1	243407024	MQJCFYXCDMMZQW-UHFFFAOYSA-N	361.486	2.383	10	10	FECE	
CC[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@]2(CCOC2)O1	365413965	YLUUMKVSTRSDMH-KXBFYZLASA-N	365.449	2.371	10	10	FECE	
COc1ccc(N2CC[C@@H](CNS(=O)(=O)N3CCC[C@H](C)C3)C2)cc1	819889599	FQOFOKQVFLHBHC-HOTGVXAUSA-N	367.515	2.088	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC[C@@H](n3ccnn3)C2)c([N+](=O)[O-])c1	819946264	KCHZLSUJNBCANT-HZRUHFOJSA-N	357.370	2.214	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)NCCNC(=O)c2ccccc2)c1	728944023	IHDDXUMUYXGCNY-ZDUSSCGKSA-N	357.410	2.191	10	10	FECE	
COCC1(CCNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1	827188391	XBFUMZFQMVPDKN-UHFFFAOYSA-N	361.486	2.481	10	10	FECE	
COc1ccc(N(C)Cc2nc(-c3cc(OC)ncn3)no2)c(OC)c1	828474283	FQMLSCDUQMDCEB-UHFFFAOYSA-N	357.370	2.189	10	10	FECE	
C[C@@]1(C(=O)NCc2ccc(N3CCCCC3)cc2)CCCS1(=O)=O	906435005	SZSQNMFKNJJFMC-SFHVURJKSA-N	350.484	2.260	10	10	FECE	
CC(C)(C)/C=C/C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	735036353	AMUWCFNMSLDGON-CMDGGOBGSA-N	350.484	2.140	10	10	FECE	
Cc1ccncc1S(=O)(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	830599397	NNKCPYBZELGZIC-INIZCTEOSA-N	362.451	2.466	10	10	FECE	
COc1ccc(N2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)cc1	588406007	DUXGMVIRWLIQCU-OQFOIZHKSA-N	354.406	2.468	10	10	FECE	
COC(=O)C1CCC(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)CC1	913860491	MAEBZKSZAWFSRD-UHFFFAOYSA-N	368.499	2.246	10	10	FECE	
Cc1cc([C@H]2CN(C(=O)C(=O)Nc3ccc(N)cc3)CCO2)ccc1F	841076762	ONZJBDMPCAOVFE-QGZVFWFLSA-N	357.385	2.255	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NCC2(CC(N)=O)CC2)c1O	848553764	QQBPLDMJFDZNLQ-SECBINFHSA-N	357.248	2.470	10	10	FECE	
O=C(NCC[C@H]1CCNC1)C(=O)N(Cc1ccccc1O)C1CCCCC1	842231845	AQAAFDUMIRPPKD-MRXNPFEDSA-N	373.497	2.169	10	10	FECE	
COc1cc(C2(CN)CCN(C(=O)OC(C)(C)C)CC2)cc(O)c1O	1952660215	NBKITXCHPKVUJE-UHFFFAOYSA-N	352.431	2.334	10	10	FECE	
COC1CCN(c2ccc(CN3CCC(N4CC[C@H](O)C4)CC3)cc2)CC1	852708040	OWSVHFFDUQBRDK-NRFANRHFSA-N	373.541	2.333	10	10	FECE	
CCc1nc([C@H](C)NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)n[nH]1	854298392	CDJCPCFOUKTZIT-STQMWFEESA-N	358.446	2.015	10	10	FECE	
O=C(NCCN1C[C@H]2CCCCN2C1=O)NCc1cc(Cl)ccc1O	852652229	QHJRQCDHYJWJCE-CQSZACIVSA-N	366.849	2.135	10	10	FECE	
CCc1cc(CC(=O)NC2CCN(c3ccc(OC)cc3)CC2)n(C)n1	931578048	IQBHGKGZADUPDS-UHFFFAOYSA-N	356.470	2.319	10	10	FECE	
CCN(CC)c1ccc(CN2CCC[C@H](CS(=O)(=O)NC)C2)cc1	862551624	OXYIRVIIMOZXOQ-KRWDZBQOSA-N	353.532	2.294	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1	863357282	ZHBNRFPIBLRIQX-FZNQNYSPSA-N	353.422	2.243	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@]3(CNC(=O)C3)C2)c1	861403444	WLQSHZCXZXDCTP-NRFANRHFSA-N	365.433	2.259	10	10	FECE	
Cc1cn(C2CCOCC2)nc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	867302252	MHYBCTGSPPBSPD-ZDUSSCGKSA-N	359.426	2.315	10	10	FECE	
C[C@H](NC(=O)Cc1nn(C)c(=O)c2ccccc12)c1ccc(N(C)C)cc1	772997028	UWHFGKAPMKLVME-AWEZNQCLSA-N	364.449	2.419	10	10	FECE	
C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@H](O)c1ccc2c(c1)OCO2	787743966	VCQZYBXYRFYDSU-NYJLXIHSSA-N	357.362	2.078	10	10	FECE	
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	897807490	AGNQFSXYWMLFJY-XIVBQZFQSA-N	353.466	2.087	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-c2ccncc2)nn1C	1138152907	SOFKGYYKIUUHSH-LBPRGKRZSA-N	352.394	2.254	10	10	FECE	
C[C@@H]1CN(c2ccc3c(c2)N(C)C(=O)[C@H]3N)CCN1Cc1ccccc1	396657752	WYJRRHXWNDWRBA-QRWLVFNGSA-N	350.466	2.374	10	10	FECE	
COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)ccc1O	797820184	KHKAVJYOMZGPSZ-UHFFFAOYSA-N	354.340	2.118	10	10	FECE	
CCOc1ccccc1N1C[C@@H](C(=O)NCc2cc(O)ccc2O)CC1=O	1176748395	RFPIBFMRXKOHGA-AWEZNQCLSA-N	370.405	2.166	10	10	FECE	
CCOC(=O)c1cc(C(=O)N2CCN(c3ccc(OCC)cc3)CC2)on1	1344114300	WMXYQEXOWUUPST-UHFFFAOYSA-N	373.409	2.212	10	10	FECE	
C[C@@H]1Nc2ccnn2[C@H](C)[C@@H]1CCC(=O)NCCc1ccc(O)c(O)c1	1528038021	SXZNMKGKQUXVHD-GZBFAFLISA-N	358.442	2.425	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CC(=O)NCc1ccc(O)cc1O)C1CC1	1451767172	LMVHVLWKCVKNHV-AWEZNQCLSA-N	350.415	2.407	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cnc(C)nc1C	1466398766	SCNCSPLADYVKTO-UHFFFAOYSA-N	363.801	2.268	10	10	FECE	
COc1ccc(O)c(CNCC2(O)CCN(C(=O)OC(C)(C)C)CC2)c1	1918913750	VYFPFZGUYZRZEV-UHFFFAOYSA-N	366.458	2.252	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)N2CCCc3c(O)ncnc32)C1	1535579184	DSXKVZXESMCFAY-GFCCVEGCSA-N	360.414	2.075	10	10	FECE	
COC(=O)[C@H]1CN(C(=O)/C=C\c2cncc(F)c2)c2ccc(F)cc2O1	1530901999	PCNOODQLFIAPGX-SVERHTFXSA-N	360.316	2.340	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)c1cc(Cl)ccc1-n1cncn1	1545669251	RGNZDKFPVGWJQT-UHFFFAOYSA-N	358.785	2.304	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)[C@H]2CC[C@@H]3CCCCN32)N(C)C)cc1	1637004931	WEJPPPPAJGWRTG-ZCNNSNEGSA-N	358.530	2.488	10	10	FECE	
CC[C@H]1CN(CC)CCN1C(=O)NCc1ccc(N2CCN(C)CC2)cc1	1565272817	CIGJMIPQZNLNJM-IBGZPJMESA-N	373.545	2.064	10	10	FECE	
CN1CCCc2cc(CNC(=O)CN3CSCCSC3)ccc21	1631322633	MMTRXJSLBDUPLM-UHFFFAOYSA-N	351.541	2.382	10	10	FECE	
O=C(NCc1ccc(N2CCOC2=O)cc1)NCc1c(O)cccc1F	1680910321	XNSWZVADZPDOMF-UHFFFAOYSA-N	359.357	2.487	10	10	FECE	
N[C@H](c1ccccc1O)[C@@H](O)c1ncc(I)s1	1943691217	QKBQHPBPWGTZIH-NXEZZACHSA-N	362.192	2.187	10	10	FECE	
CP1(=O)CCN(c2cc3c(cc2Br)[C@H](O)C(=O)N3)CC1	2171995923	IELFNKLIIGYMBY-LBPRGKRZSA-N	359.160	2.248	10	10	FECE	
C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)CCOc1ccc(N)cc1	2162990526	XJXSABAKIQPYKO-YPMHNXCESA-N	373.375	2.096	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])CO1	2060610373	HEVRUBPMKLBTKL-AVGNSLFASA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)COc2ccc(N)cc2)C1	2106232076	RQNFQJXXCNZNJB-CQSZACIVSA-N	363.458	2.411	10	10	FECE	
CN(C(=O)CN(C)C1CC(NC(=O)OC(C)(C)C)C1)c1ccc(N)cc1	2106689788	GXCFVEBHJBKDTJ-UHFFFAOYSA-N	362.474	2.219	10	10	FECE	
COC(=O)[C@H](CCN[C@@H](C)c1ccc(O)cc1O)NC(=O)OC(C)(C)C	2088543015	NWSIYYVOAJDLPZ-FZMZJTMJSA-N	368.430	2.205	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Nc1c(N)cccc1C(N)=O	2108835856	YJBFBSQFXHGMQH-FDRIWYBQSA-N	360.458	2.471	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H](NCc2ccc(O)c(O)c2O)C1	2219139759	BFKMEXJNQVGTAK-RYUDHWBXSA-N	356.394	2.241	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2331230641	XEWHYBCPECKCPY-MCIONIFRSA-N	367.450	2.296	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N(C)Cc3cnccn3)CC2)cc1	172285560	QLXHSBNUZOXEMQ-UHFFFAOYSA-N	355.442	2.296	10	10	FECE	
CN(Cc1ccccc1O)C(=O)CN1CCN(Cc2ccccc2)CC1	77258382	XXXWXFSYVOXMAY-UHFFFAOYSA-N	353.466	2.168	10	10	FECE	
CNC(=O)[C@H]1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1	421648408	AVMUGSUFFNRLLV-INIZCTEOSA-N	357.454	2.113	10	10	FECE	
CN1CCCc2cc(CNC(=O)N[C@H]3CCO[C@@H]3c3cnn(C)c3)ccc21	190157232	DJPJOUGWBKFSHB-PKOBYXMFSA-N	369.469	2.132	10	10	FECE	
CC(C)[C@@H](NC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2)C(N)=O	435857367	TYWDQPRYJFJKDQ-HXUWFJFHSA-N	370.497	2.034	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3C(=O)NC3CCCC3)CC2)cc1	240790416	AYKLTFOEBRNYTC-MOPGFXCFSA-N	371.481	2.039	10	10	FECE	
CN(c1cc2c(cc1Br)[C@H](N)C(=O)N2)[C@H]1CCCC[C@@H]1O	252915221	AMGVLRQRZOODCC-UBHSHLNASA-N	354.248	2.141	10	10	FECE	
COc1cc(N2CCN(C(=O)NC[C@@H]3C[C@@H]3C)CC2)cc(OC)c1OC	273920612	IPHRFTVMSCZZRL-KBPBESRZSA-N	363.458	2.200	10	10	FECE	
CN1CCc2cc([C@@H](O)Cn3cc(CNC(=O)OC(C)(C)C)nn3)ccc21	2163064370	UIMAZLGQADGXIU-KRWDZBQOSA-N	373.457	2.029	10	10	FECE	
CC(C)[C@@H](C)CNC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	807271720	KLYFEADSNVNQJE-RDJZCZTQSA-N	362.470	2.308	10	10	FECE	
COC(C)(C)CS(=O)(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	290660679	FRCNNTAWVFJZGR-OAHLLOKOSA-N	357.472	2.128	10	10	FECE	
COCc1n[nH]c(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)n1	821178768	YVMNEEXLTWFLQM-UHFFFAOYSA-N	371.397	2.162	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3CCO[C@@H](C4CC4)C3)C2)cc1	823726862	YJLKGKZVNYHINB-HNAYVOBHSA-N	359.470	2.342	10	10	FECE	
Cc1[nH]nc(Cl)c1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	900899757	IMHGNLVORGHZDP-UHFFFAOYSA-N	366.824	2.402	10	10	FECE	
CCOC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(N2CCOCC2)cc1	588392575	CUHVYJOARAXROZ-IEODJVTJSA-N	358.438	2.091	10	10	FECE	
CO[C@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)[C@@](C)(C(=O)O)C1	910262586	IEYLBHORLFEYND-AUUYWEPGSA-N	357.410	2.193	10	10	FECE	
COc1ccc(N(C)CCN(C)c2nnc(C)n2C[C@@H]2CCCO2)cc1	846330407	XHODCBOAJCVECG-SFHVURJKSA-N	359.474	2.347	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)[C@@H]1COC(C)(C)C1	859191740	CTJBSLBDHFZTKU-YOEHRIQHSA-N	354.516	2.479	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccn(CC(F)F)n3)C2)cc1	855223230	DGWWUERELKXOPO-LBPRGKRZSA-N	350.369	2.166	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@H](Cn2ccnn2)C1	854176363	FRCCRUMFRZFCBZ-SJORKVTESA-N	370.501	2.315	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3nc(C(C)C)n[nH]3)C2)cc1	854099730	YEEYMLBLYKGPDM-CYBMUJFWSA-N	358.446	2.015	10	10	FECE	
Cc1cc(CC(=O)OCC(=O)N2CCO[C@H](C)C2)c(C)n1-c1ccccc1	853933546	FUWIERAGCWKUGB-MRXNPFEDSA-N	370.449	2.427	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)c3ccc(F)cc3)C2)cc1	852449642	VKHVTXSMVVKNNK-QFBILLFUSA-N	373.428	2.446	10	10	FECE	
COc1ccc(N2CCC(NC(=O)[C@H]3CCCN(C4CC4)C3=O)CC2)cc1	931578494	WQAYUSIFVSUXRU-LJQANCHMSA-N	371.481	2.181	10	10	FECE	
CNS(=O)(=O)c1ccc(CCN[C@@H](C)c2cc(OC)ccc2O)cc1	866578115	JOQQRTFIKZKYCD-ZDUSSCGKSA-N	364.467	2.202	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c[nH]nc1[C@H]1CCCO1	864634251	ILAKXEQBALDRJS-GOSISDBHSA-N	370.453	2.370	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@H]2[C@H]3CC[C@@H](NC3)[C@H]2C1	861590605	URVCRJAQRYWVMG-FRYIKTPZSA-N	352.482	2.202	10	10	FECE	
O=C(COC(=O)c1csc(-c2ncccn2)n1)c1ccc(O)c(O)c1	783055499	KBVFVPCZSKXIBH-UHFFFAOYSA-N	357.347	2.051	10	10	FECE	
CN(C)c1ccc(CN(C(=O)C2CN(C3CCOCC3)C2)C2CC2)cc1	895632967	JYTUPCXSKPDBAK-UHFFFAOYSA-N	357.498	2.354	10	10	FECE	
CCNC(=O)C(C)(C)CNCc1c(C(=O)OC)n(C)c2ccc(F)cc12	894358521	HDYYJVUVLYWLSP-UHFFFAOYSA-N	363.433	2.356	10	10	FECE	
COC(=O)C[C@@H]1CSCCN1C(=O)c1cc2cc(O)c(O)cc2s1	897214784	FEDCFUJZPOHFAS-SNVBAGLBSA-N	367.448	2.433	10	10	FECE	
COc1ccc(CNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(O)c1	794383907	SJOICMWKBQREHV-UHFFFAOYSA-N	369.826	2.144	10	10	FECE	
Cc1ccn([C@H](C)CC(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)n1	1327158906	TTXRRHPEGUXFKO-MRXNPFEDSA-N	372.469	2.410	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@H]1CCN1C1CCCC1	1331276981	DFQCQVWOHQWBKI-HXUWFJFHSA-N	372.513	2.339	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1CC(=O)N1CC[C@H](CN=[N+]=[N-])C1	2124509957	ZNMXGBOVTBDQEJ-HZSPNIEDSA-N	367.450	2.465	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)NC[C@]3(C)CC3(C)C)CC2)cc1	1332827018	UKZKSSFFHGOENJ-NRFANRHFSA-N	373.497	2.333	10	10	FECE	
Cn1ncc(C(=O)N2CCC(CN=[N+]=[N-])CC2)c1I	1912157707	ULGJGZNXFOZPNH-UHFFFAOYSA-N	374.186	2.187	10	10	FECE	
CC[C@H](O)Cn1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)nn1	1445638572	KJOQAWTWHROOEN-HNNXBMFYSA-N	370.409	2.190	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H](CO)[C@H]1CCOC1	1295798271	JLWQQENNOVROSR-YJBOKZPZSA-N	356.422	2.034	10	10	FECE	
C[C@H]1COCCN1C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1	1298699853	OJBPLPBLARBRMX-ZDUSSCGKSA-N	359.430	2.174	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3cc(C)nc(C)c3)CC2)cc1	1464536781	BRKXXNINWSWPJB-UHFFFAOYSA-N	368.481	2.259	10	10	FECE	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)C1=CS(=O)(=O)CCC1	1468657241	PLXUGDIKKUCGSE-UHFFFAOYSA-N	368.418	2.427	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CN(C(=O)c1cccc(O)c1O)C2	2136557201	YWGUNPRRMJIOML-CWTRNNRKSA-N	362.426	2.475	10	10	FECE	
COC(=O)[C@]1(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)CCOC1	1628011977	HENJNQFTGIYHOY-FQEVSTJZSA-N	356.422	2.404	10	10	FECE	
O=C(NCc1c(O)ccc2ccccc12)c1cn(C[C@@H]2CCOC2)nn1	1647791343	OKIMGWLCZDJCLH-ZDUSSCGKSA-N	352.394	2.103	10	10	FECE	
CC[C@@H]1SC(=S)N(CCC(=O)Nc2ccc(C(=O)OC)cc2)C1=O	11635856	JCBJFLVVFDEZTR-LBPRGKRZSA-N	366.464	2.441	10	10	FECE	
CCC[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)N(C)C	156624373	LUKWNIJXAVNEAZ-GOSISDBHSA-N	351.466	2.133	10	10	FECE	
COc1cccc(CN[C@@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)c1O	2031528207	NMKXDLWKAYJKJT-UONOGXRCSA-N	352.431	2.173	10	10	FECE	
COCCN(CCNCc1cc(OC)ccc1O)C(=O)OC(C)(C)C	378911088	SNSPFSNISNPCIQ-UHFFFAOYSA-N	354.447	2.374	10	10	FECE	
COc1ccc(O)c([C@H](C)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1	866493596	WUGHDTMACRRESK-YLQAJVPDSA-N	366.458	2.422	10	10	FECE	
CNCc1ccc(N(CCS(C)(=O)=O)C2CC2)c(Br)c1	2170153219	QBPXIZUHPGBZDN-UHFFFAOYSA-N	361.305	2.182	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)(C(=O)NCc2ccccc2O)C1	1294925862	SWTMLSMIJBRBCW-AUUYWEPGSA-N	364.442	2.471	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNCc1c(O)cccc1F	2042604202	YZJVQUJKTDZDAL-CYBMUJFWSA-N	353.438	2.172	10	10	FECE	
C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)c1cc(O)ccc1O	2052722815	RTLQFNRIFOJVET-HZUKXOBISA-N	352.431	2.119	10	10	FECE	
CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2060618861	FIVFQIJBSXKWLV-CHWSQXEVSA-N	354.455	2.133	10	10	FECE	
CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N=[N+]=[N-])CC1	2060610705	KUDVHHRPWMDWQG-ZDUSSCGKSA-N	354.455	2.133	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1CC(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2067684071	FGHCYCXMRSDUIB-YNEHKIRRSA-N	353.423	2.075	10	10	FECE	
C[C@H]1CN(CC(=O)N(C)c2ccc(N)cc2)C[C@H]1NC(=O)OC(C)(C)C	2106661476	DKRYKJRKGMRAOA-XJKSGUPXSA-N	362.474	2.077	10	10	FECE	
CC(C)(C)OC(=O)N1CCC2(CN(C(=O)COc3ccc(N)cc3)C2)C1	2106690084	JKPWFXJLYFSDPM-UHFFFAOYSA-N	361.442	2.117	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](O)(CCNC(=O)Nc2ccc(N)cc2)C1	2230135934	IRWFTGRJZYGOJY-GOSISDBHSA-N	364.446	2.152	10	10	FECE	
CN(C[C@@]1(O)CCCN(Cc2ccccc2)C1)C(=O)c1cccc(O)c1O	2286348379	JCASENBPXUORNP-NRFANRHFSA-N	370.449	2.197	10	10	FECE	
COC(=O)CCN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S	2296779157	CNGOIPKGVXLCSY-UHFFFAOYSA-N	352.393	2.359	10	10	FECE	
COC(=O)CN1C(=O)C(=Cc2cc(OC)ccc2OC)SC1=S	2297306439	RDWUOKHXLKJEDM-UHFFFAOYSA-N	353.421	2.078	10	10	FECE	
Cc1noc(C)c1CN1CCN(C(=O)C=Cc2ccc(O)c(O)c2)CC1	2307986299	LUIKFUMVECIPSK-UHFFFAOYSA-N	357.410	2.060	10	10	FECE	
O=C(O)C[C@H](C(=O)O)N1C(=O)C(=Cc2cccc(Cl)c2)SC1=S	2314927407	FHBUGXAKHPJJIY-SECBINFHSA-N	371.823	2.469	10	10	FECE	
CC(C)(C)OC(=O)N[C@]12C[C@](C(=O)NCCc3ccc(O)c(O)c3)(C1)C2	2344187361	BJUVIPDFNXUUTK-KDURUIRLSA-N	362.426	2.204	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1C[C@H](F)C1	2352486985	XYIGNGHOOUOFAW-AVGNSLFASA-N	368.405	2.150	10	10	FECE	
CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1	101653790	AKCQYSSRNRFWOF-RVDMUPIBSA-N	360.366	2.304	10	10	FECE	
COc1ccc(O)c(CNC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)c1	114543406	FDXLKCNSQBGOLV-INIZCTEOSA-N	374.462	2.312	10	10	FECE	
COC(=O)COc1ccc(N(C)Cc2cc(-c3cnn(C)c3)no2)cc1	185060203	KHEOZCAEBPQMBY-UHFFFAOYSA-N	356.382	2.263	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-n2cncn2)c(F)c1	186422891	GZEOIHKLEKMLDA-LLVKDONJSA-N	356.357	2.179	10	10	FECE	
CCc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(N3CCOCC3)c(F)c1)CC2	180631875	IUMPWDFSBVCSSA-HOCLYGCPSA-N	373.476	2.482	10	10	FECE	
CCS(=O)(=O)N1CC(CN[C@H](C)c2cc3c(cc2O)CCCC3)C1	190677873	KTSBEERRYFFHJM-CYBMUJFWSA-N	352.500	2.203	10	10	FECE	
C[C@@H](CO)[C@@H](C)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92283919	UJGQWMXBZQYXKZ-DLBZAZTESA-N	374.529	2.035	10	10	FECE	
COc1ccc(N(C)CC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)c(OC)c1	255216827	SECDRKMSEIQFIE-CYBMUJFWSA-N	358.442	2.368	10	10	FECE	
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1cc(Br)ccc1O	805035759	PMULHWYJSZOCEP-NXEZZACHSA-N	372.263	2.257	10	10	FECE	
COC(=O)N(C)CCCC(=O)NCc1cc(Br)ccc1O	804735669	CRFNZAFYWJBOEL-UHFFFAOYSA-N	359.220	2.249	10	10	FECE	
Cc1nc(N)nc(C)c1C(=O)NCc1cc(Br)ccc1O	804740180	AVTVUSMGBMZAOI-UHFFFAOYSA-N	351.204	2.074	10	10	FECE	
CCNC(=O)c1ccc(NC[C@H]2CCN(c3ccc(OC)cc3)C2)nn1	819935083	JZBRLEGTCBRPNC-CQSZACIVSA-N	355.442	2.173	10	10	FECE	
CCOC(=O)c1cc(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)on1	819590638	LPZDTAYXWNHVEH-CYBMUJFWSA-N	373.409	2.116	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)Cc3cn(C)nc3Cl)C2)cc1	819591993	ZDXMZBXTKZICHJ-CYBMUJFWSA-N	362.861	2.267	10	10	FECE	
COC[C@@](C)(O)CCNC(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2	652379512	RCSDCOOXRWZRJD-NRFANRHFSA-N	374.481	2.432	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N[C@@H](CO)c3cncn3C)c2C)cc1	912614040	IXXYBRQYHPMYQF-SFHVURJKSA-N	368.437	2.300	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC[C@@H]2CCC(=O)N2)C1	845157064	YRPKFUCMISJEIC-HNNXBMFYSA-N	369.465	2.230	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NCCNC(=O)C2CC2)c1O	848513927	IWQZWFPYRFEOLA-SECBINFHSA-N	357.248	2.340	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@@H](CO)c1cccnc1	840485006	RGMBJQLUAGTRSV-APWZRJJASA-N	370.497	2.462	10	10	FECE	
C[C@H](NC(=O)NCCc1ccccc1S(C)(=O)=O)c1ccccc1O	926333265	UIRVLTCZNMVHNX-ZDUSSCGKSA-N	362.451	2.399	10	10	FECE	
O=C(NCc1c(O)cccc1F)NC1CCN([C@@H]2CCCC[C@@H]2O)CC1	921534192	VAWAHLIWPKDLAS-AEFFLSMTSA-N	365.449	2.098	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](CO)c3cccc(F)c3)C2)cc1	852456685	ZYSKBCQELCWVHZ-APWZRJJASA-N	373.428	2.446	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC[C@@H](O)CN3CCN(C)CC3)c2C)c1	863582279	FLAISDCNLKCSJA-JOCHJYFZSA-N	370.541	2.100	10	10	FECE	
O=C1C[C@H](C(=O)NCc2ccc3cccnc3c2O)[C@H]2CCCC[C@H]2N1	862025287	RRCULPFHTYOVSY-OWCLPIDISA-N	353.422	2.252	10	10	FECE	
CCC(=O)N[C@H](CCSC)C(=O)NCc1ccc2cccnc2c1O	862028185	SOMTWSMRCDTOML-CQSZACIVSA-N	361.467	2.205	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CC3(CCOCC3)CO2)c1	869031013	BZEPSAOIGCUDRQ-UKRRQHHQSA-N	364.442	2.347	10	10	FECE	
COC(=O)N1CCC[C@H]([C@H](C)NCc2ccc(N3CCOCC3)cc2)C1	775348744	IUZPDLNIQAVPKL-WMZOPIPTSA-N	361.486	2.480	10	10	FECE	
COC(=O)[C@H]1[C@H](CN(C)Cc2ccc(N3CCOCC3)cc2)C1(F)F	893911110	QDAGRRJTPATOMD-JKSUJKDBSA-N	354.397	2.009	10	10	FECE	
COCCOc1ncccc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	797623030	FUMKCVWAZATIQB-GFCCVEGCSA-N	361.398	2.271	10	10	FECE	
COc1cc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)ccc1O	797820261	NXGOOLOUMHXSSV-UHFFFAOYSA-N	368.798	2.350	10	10	FECE	
C[C@H]1CO[C@H](C(F)(F)F)CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1	796304820	LMLKADWBCKDHHQ-BBRMVZONSA-N	373.419	2.363	10	10	FECE	
COC(=O)c1cc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)no1	798246774	QGQVGRJPWVOMPU-UHFFFAOYSA-N	363.333	2.423	10	10	FECE	
COc1cc(NS(=O)(=O)c2cc(C(=O)O)cc(C)c2F)ccc1O	797819353	GWYMGRUKLWHIFY-UHFFFAOYSA-N	355.343	2.347	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1ccncc1C	1325192010	UWNHVXULTVQUKW-YERXGYGTSA-N	370.405	2.105	10	10	FECE	
CN1CCN(c2ccc(CN3CC[C@@H](C(F)(F)F)[C@@H](N)C3)cc2F)CC1	1334054073	DJVNATHMWPXVNI-ZBFHGGJFSA-N	374.426	2.289	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc(O)c(O)c(O)c2)C1	2132405197	XNBWPKPFJNHEPO-LBPRGKRZSA-N	366.414	2.275	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCC2(CCC2)O1	1350526098	CPNKOQUDZJCINZ-MRXNPFEDSA-N	360.454	2.349	10	10	FECE	
COC(=O)C1(NCc2cc(Cl)ccc2O)CN(C(=O)OC(C)(C)C)C1	1913925940	JMRNTYUCVOEKAJ-UHFFFAOYSA-N	370.833	2.298	10	10	FECE	
C[C@@H](O)C(C)(C)CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	1519419994	IQZCFAGBRDSKLK-GFCCVEGCSA-N	371.428	2.008	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)NCc1c(O)cccc1O	1456232970	CUQPDRSOPSNNRP-SNVBAGLBSA-N	360.357	2.263	10	10	FECE	
CC[C@H](C)c1nnc(N2CCNC(=O)C2)n1Cc1ccc(N(C)C)cc1C	1291650568	SPZKXIIIUPIJGD-AWEZNQCLSA-N	370.501	2.151	10	10	FECE	
CN[C@H](C)c1ccc(N2CCS(=O)(=O)C[C@@H]2C)c(Br)c1	228764327	AZCPHHKOPORMDK-WDEREUQCSA-N	361.305	2.353	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C1	2060640596	WSIRWUBUQONQBY-CHWSQXEVSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H](N=[N+]=[N-])CC1)C1COC1	2060637942	QDXYAIRXFREAMB-STQMWFEESA-N	353.423	2.218	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@H]1C[C@H]2OCC[C@H]2N1C(=O)OC(C)(C)C	2060611236	QWKOPJYJCADKCZ-FRRDWIJNSA-N	353.423	2.312	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)[C@H](CO)CNC(=O)OC(C)(C)C	2067732894	IAMIAZTZRPZCJL-STQMWFEESA-N	352.431	2.045	10	10	FECE	
CN(CC(=O)CCN1C(=O)c2ccccc2C1=O)Cc1ccccc1O	2210624465	VRZRJSQGGDXTJJ-UHFFFAOYSA-N	352.390	2.079	10	10	FECE	
Cc1cccc(O)c1CNC1(C(N)=O)CCN(C(=O)OC(C)(C)C)CC1	2104513461	VTSYTEDEHNNVLH-UHFFFAOYSA-N	363.458	2.045	10	10	FECE	
COc1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1	2297318007	YNDMTRVZLCOKAM-UHFFFAOYSA-N	355.325	2.413	10	10	FECE	
COc1cccc(C(C)=C2SC(=S)N(CCS(=O)(=O)O)C2=O)c1	2297478245	YBHSNLWNTKPEGT-UHFFFAOYSA-N	373.477	2.174	10	10	FECE	
COC(=O)C=Cc1ccc(N(C)C[C@@H]2CCN(C(C)=O)C2)c([N+](=O)[O-])c1	2303835660	OCGGTWWQASEMIO-HNNXBMFYSA-N	361.398	2.086	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CCO[C@H]2C[C@@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2331228100	IDFTWZSDDAKGLN-FQUUOJAGSA-N	365.434	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCc3cc(O)c(O)cc3C2)C1	2341198221	WEIRBEKLIHRUHG-ZDUSSCGKSA-N	362.426	2.240	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC[C@H]1Cn1ccnc1	177795649	GSRSEUVOEVMGJU-FKIZTMCRSA-N	366.465	2.424	10	10	FECE	
Cn1cc(C(N)=O)cc1C(=O)N(Cc1ccco1)Cc1ccccc1O	133250056	NXPQQXUQGMEINK-UHFFFAOYSA-N	353.378	2.265	10	10	FECE	
CC[C@@H]1CO[C@H](C)CN1c1cc2c(cc1Br)[C@@H](N)C(=O)N2	221242133	YJJPNKCNELSZDD-RFXMVYNHSA-N	354.248	2.405	10	10	FECE	
C[C@H](C(=O)NC1CCCC1)N1CCN(Cc2ccc(N(C)C)cc2)CC1	93077495	ONEDPWHVENYTBZ-QGZVFWFLSA-N	358.530	2.318	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3C[C@H]4OCCC[C@@H]34)CC2)cc1F	251535415	DKAMUKONOWWEAD-YXJHDRRASA-N	363.433	2.233	10	10	FECE	
CCN1CC[C@H]2OCCN(Cc3cc(Cl)cc([N+](=O)[O-])c3O)[C@H]2C1	293644898	MNJVMMPZDXGTJR-LSDHHAIUSA-N	355.822	2.249	10	10	FECE	
CCc1nc(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)c(C)o1	803162722	UYJNWQWXEPRHPI-UHFFFAOYSA-N	370.453	2.144	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1	808540953	LLZYZOINJJGMHV-BONVTDFDSA-N	372.204	2.214	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CO1	826823237	YEYSRXPJVAEZFI-APWZRJJASA-N	372.513	2.195	10	10	FECE	
COC(=O)[C@H](NCc1ccc(N2CCC(OC)CC2)cc1)c1ccnn1C	830369590	NKEIAHZFQDAURJ-LJQANCHMSA-N	372.469	2.039	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](CN2CCOC2=O)C1	838477732	GWROLYXUUYKMSG-OAHLLOKOSA-N	360.458	2.045	10	10	FECE	
CS(=O)(=O)C[C@@H](O)CN[C@@H](CCc1ccccc1)c1ccccc1O	927026846	RCPHOYCZRARBDL-WMZOPIPTSA-N	363.479	2.061	10	10	FECE	
Cc1cn(C)nc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	850367445	JEZIMQGLDUBUIO-UHFFFAOYSA-N	369.469	2.220	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCN(C4CCC4)CC3)C2)cc1	854300903	CVRNPVQTVQYFDU-MRXNPFEDSA-N	358.486	2.154	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)NCC3CCC(O)CC3)C2)cc1	854188230	YYQFTQJSLHWVGT-UPTPFMHGSA-N	361.486	2.372	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC[C@H]2COC(=O)O2)C1	769665974	YRHPFNFSTVRPOV-AWEZNQCLSA-N	372.421	2.486	10	10	FECE	
Cc1ccc(C(=O)N2CCO[C@H]([C@H](C)O)C2)cc1-n1c(C)cc(C=O)c1C	862005182	UWVLIUJGGGMENA-JXFKEZNVSA-N	370.449	2.437	10	10	FECE	
Cc1cc(CCN2C(=O)[C@H]3[C@@H](O)CCCN3C2=O)c(C)n1-c1ccccc1	760969390	JEUYKAOXBVOUPQ-RBUKOAKNSA-N	367.449	2.424	10	10	FECE	
C[C@H](NC(=O)C(=O)N1CCC(c2ccon2)CC1)c1ccc(N(C)C)cc1	1118631425	JWWYVGACHHEFPM-AWEZNQCLSA-N	370.453	2.324	10	10	FECE	
O[C@H](CNc1ccccc1OC[C@@H]1CCCCO1)CC1(O)CCOCC1	872210838	ONCNSKVAGWNCET-IRXDYDNUSA-N	365.470	2.339	10	10	FECE	
CN1CCN(c2ccc(CN3CCCC[C@H]3CN3CCOCC3)cc2)CC1	775678462	DTTSAYYZOBUSQE-QFIPXVFZSA-N	372.557	2.125	10	10	FECE	
CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2cnc3n2CCC3)cc1	772450905	CNMIMXKBTWYDFC-UHFFFAOYSA-N	360.483	2.249	10	10	FECE	
C=CC(=O)NCCC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	772779773	XBORYBCWLBISIJ-UHFFFAOYSA-N	357.376	2.336	10	10	FECE	
COC(=O)[C@@H]1[C@H](CNC(=O)c2cc(C)n(-c3ccccn3)c2C)C1(F)F	881820915	QEQHWQIMLHGTIE-ZFWWWQNUSA-N	363.364	2.273	10	10	FECE	
COC(=O)[C@@H]1[C@@H](CNCc2ccc(N3CCSCC3)cc2)C1(F)F	894191960	SYKIMPYQHOJNCO-CABCVRRESA-N	356.438	2.384	10	10	FECE	
COC(=O)[C@@H](C[C@@H]1CCCO1)NCc1ccc(OC)c(Cn2cccn2)c1	895864905	PDWWLTDRMRXNFU-ZWKOTPCHSA-N	373.453	2.140	10	10	FECE	
COc1ccc(CNC(=O)C(=O)Nc2cccc([C@@H](C)OC)c2)c(O)c1	797389498	LAIHACBZRKUQCY-GFCCVEGCSA-N	358.394	2.363	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1	2124137294	PHHIVFXADPAEGR-ZDUSSCGKSA-N	364.442	2.141	10	10	FECE	
C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1	2132399566	GRNBIPXWKXSQCG-CMPLNLGQSA-N	366.414	2.179	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)CC3CCN(OC)CC3)CC2)cc1	1350969494	ZIXYHKXOSYOVEY-UHFFFAOYSA-N	361.486	2.397	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CSCC(=O)N1CCCCC1	1297563072	VPAQGTVOSVIETK-UHFFFAOYSA-N	371.499	2.240	10	10	FECE	
Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NCc1c(O)cccc1F	1456094376	RDGFOQZARKVRBI-INIZCTEOSA-N	373.363	2.066	10	10	FECE	
CN1C(=O)COc2cccc(NC(=O)c3ccc(N=NC(N)=O)cc3)c21	1558094161	BGDLFTMPAJTZIE-UHFFFAOYSA-N	353.338	2.457	10	10	FECE	
Cc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCCSc1nccs1	1751940827	ARYTWAOMKIMQAG-YPMHNXCESA-N	353.517	2.433	10	10	FECE	
COc1ccc(CNC(=O)NCC2(NC(=O)OC(C)(C)C)CC2)c(O)c1	1684380113	UXWVTDHVIYRFGR-UHFFFAOYSA-N	365.430	2.257	10	10	FECE	
COc1cc(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)ccc1CO	2139690384	YREPOIYOZLYVDU-OAQYLSRUSA-N	356.466	2.261	10	10	FECE	
COCCCN1C(=O)/C(=C/c2ccc(O)c(OC)c2)C(C(=O)OC)=C1C	5825885	ZRNDXMMGJCUUJB-GXDHUFHOSA-N	361.394	2.110	10	10	FECE	
C[C@H]1CC[C@H](C)N1CCN1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1	154529452	ZTOGSUMDTHAIHE-HOTGVXAUSA-N	362.474	2.291	10	10	FECE	
CCNC(=O)N1CC[C@H](NC(=O)c2cc(C)n(-c3ccccn3)c2C)C1	154687114	QSOCYCYSOJPECA-HNNXBMFYSA-N	355.442	2.023	10	10	FECE	
CN(C)c1ccc([C@@H](CN)N2CCC23CN(C(=O)OC(C)(C)C)C3)cc1	1881638795	RYOXNAWEMBMYHM-QGZVFWFLSA-N	360.502	2.448	10	10	FECE	
CNCc1ccc(N(C)C[C@H]2CCCS2(=O)=O)c(Br)c1	694111436	DOSFMGUFQHPUKD-GFCCVEGCSA-N	361.305	2.182	10	10	FECE	
C[C@@H]1C[C@H](CNC(=O)c2ccc(O)c(O)c2)CN1C(=O)OC(C)(C)C	2054419511	FAZSJOLKEWJLQR-VXGBXAGGSA-N	350.415	2.473	10	10	FECE	
C[C@H]1C[C@@H](CNC(=O)c2ccc(O)c(O)c2)CN1C(=O)OC(C)(C)C	2054419510	FAZSJOLKEWJLQR-RYUDHWBXSA-N	350.415	2.473	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)CCOc2ccc(N)cc2)C1	2106238718	DSCHLZLVQNKZQJ-OTVXOJSOSA-N	363.458	2.457	10	10	FECE	
CC(C)(C)OC(=O)NCCCN1CCN(CCc2ccc(N)cc2)CC1	2226066705	XFJMBPIQYRPDFB-UHFFFAOYSA-N	362.518	2.344	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC=C(F)F	2269126584	YWFOVPMMFNXCOT-NSHDSACASA-N	372.368	2.430	10	10	FECE	
O=C(O)C=Cc1ccc(O)c2c1[C@H](C(=O)O)[C@H](c1ccc(O)c(O)c1)O2	2297749131	GJHXGOBGPWPCCK-HOTGVXAUSA-N	358.302	2.203	10	10	FECE	
C[C@@H](NC(=O)[C@@H]1COCC[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O	2332172608	HRMKLQNSSPWFDC-YUELXQCFSA-N	364.442	2.499	10	10	FECE	
COc1cccc(CN[C@]23CO[C@H](C2)[C@H](NC(=O)OC(C)(C)C)C3)c1O	2334236222	DUMNAMBMAMBRAL-MUKKUYKPSA-N	364.442	2.315	10	10	FECE	
CN1CCCc2cc(CNC(=O)NCCC(=O)NC3CCCC3)ccc21	58572488	ONQMJIWRRNVRCA-UHFFFAOYSA-N	358.486	2.317	10	10	FECE	
Cc1cc(C(=O)NCCc2nnc3n2CCCC3)c(C)n1-c1ccccn1	184095457	NQCUMQCOZJFADI-UHFFFAOYSA-N	364.453	2.389	10	10	FECE	
COc1ccc(N2CCCN(S(=O)(=O)[C@H](C)C(F)(F)F)CC2)cc1	184241903	ZWGBKDQNVKTOOD-GFCCVEGCSA-N	366.405	2.488	10	10	FECE	
O=C(CN1CCC[C@@H]1C1CC1)NCc1ccc(N2CCOCC2)c(F)c1	363384124	GIKRSVTVGRUTLV-GOSISDBHSA-N	361.461	2.153	10	10	FECE	
COc1cc(Br)cc(CN2CC(F)(F)C[C@@H]2CO)c1O	372635820	CSGVANLBIITOFV-SNVBAGLBSA-N	352.175	2.365	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)N[C@H](c1cnn(C)c1)C(F)(F)F	281037387	NPTYXPMGFXDOQG-LKFCYVNXSA-N	372.347	2.365	10	10	FECE	
CCN(CC)c1ccc(CN2CCC(CNS(C)(=O)=O)CC2)cc1	289374769	LVIDUIOVWNGKJZ-UHFFFAOYSA-N	353.532	2.294	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cnc(C2CC2)nc1	294239663	CEZYDTYZFQXSSW-UHFFFAOYSA-N	352.438	2.463	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@H](c2cccnc2)C2CC2)cc1F	803664375	LPYQIXCZZGQLRY-SFHVURJKSA-N	370.428	2.170	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N[C@H](CCO)c1ccco1	588488274	NXKPGJGXJBDZAJ-GNJLHFKMSA-N	356.422	2.369	10	10	FECE	
COc1ccc(N2CCCN(C(=O)/C=C(\C)CN3CCOCC3)CC2)cc1	900294882	ZZHKFFTUOJMRRR-FBMGVBCBSA-N	373.497	2.012	10	10	FECE	
Cc1ncc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c(C2CC2)n1	839464845	ZYFHRCIQISJDOV-UHFFFAOYSA-N	367.453	2.326	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@H](O)[C@H]3CCCN3C(=O)OC(C)(C)C)ccc21	1892332248	NYTULLNDCJGEHU-KZNAEPCWSA-N	361.486	2.439	10	10	FECE	
CN(C)c1ccc(/C=C/CN[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1	835049844	MQEPHXSDLXAYHI-WXFDERKXSA-N	351.516	2.073	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)CCc3ccccc3)C2)cc1	849416626	UEGYZDIPQQSSRX-KRWDZBQOSA-N	360.479	2.436	10	10	FECE	
CN1CCN(c2ccc(CNCc3nc4c(s3)COCC4)cc2)CC1	922958542	JPBKNTXQCDOAGO-UHFFFAOYSA-N	358.511	2.257	10	10	FECE	
O=C1CCc2cc(S(=O)(=O)Nc3ccc(O)cc3)cc3c2N1CCC3	758148069	NXGLJQJMAVPCMF-UHFFFAOYSA-N	358.419	2.418	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3c(C)cccc3F)C2)cc1	850536742	JMZONSNQYZWDHP-CQSZACIVSA-N	371.412	2.476	10	10	FECE	
C[C@H](NC(=O)c1cnccc1N(C)C)c1ccc(N2CCOCC2)cc1	759603976	YCPBMEMQXZEJBB-HNNXBMFYSA-N	354.454	2.475	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@@](C)(C4CC4)C3)C2)cc1	852449657	VNOFDDPCUAWOAR-OXJNMPFZSA-N	359.470	2.484	10	10	FECE	
C[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@](C)(C(F)F)O1	852781865	WJNAQXWROPQPAY-LIRRHRJNSA-N	369.456	2.456	10	10	FECE	
Cc1cc(CN2CCN(S(C)(=O)=O)[C@H](C)C2)c(O)c(C(C)(C)C)c1	853564643	QZJXGVFDEXYRLO-CQSZACIVSA-N	354.516	2.464	10	10	FECE	
Cc1cc(O)c(CN2CCC(N3C(=O)O[C@H]4CNC[C@H]43)CC2)c(Cl)c1	863643703	TUZWHENZRKSABW-WBVHZDCISA-N	365.861	2.111	10	10	FECE	
O=C1/C(=C/c2cn(C[C@@H]3CCOC3)nn2)SC(=S)N1c1cccnc1	865215232	LWBSZSQTSPGQLD-RZBIUYHXSA-N	373.463	2.115	10	10	FECE	
CO[C@H](C)CS(=O)(=O)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	764215052	CQYKJAHEFDUFHY-CQSZACIVSA-N	364.467	2.497	10	10	FECE	
COC(=O)C1C[C@H](C)N(CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C1	860189698	VZWMILCUZDQSCM-GJZGRUSLSA-N	361.486	2.031	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CCN3C(=O)OCC[C@@H]3C2)c1O	763313052	FNPAQMMDMQEWKR-CQSZACIVSA-N	370.405	2.359	10	10	FECE	
COCCOC(=O)c1c(C)[nH]c(C(=O)N2Cc3cccc(O)c3C2)c1C	871201150	QDQLVBWLCUTAOW-UHFFFAOYSA-N	358.394	2.296	10	10	FECE	
O=C(O)c1cc(O)ccc1NS(=O)(=O)c1cnn(Cc2ccccc2)c1	776433082	MTAMZOLIGGLQBY-UHFFFAOYSA-N	373.390	2.136	10	10	FECE	
COCCN(Cc1ccnn1C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	787316874	FKZNORUWYBBPKZ-OAHLLOKOSA-N	359.474	2.405	10	10	FECE	
Cc1cc(CC(=O)N[C@H]2CS(=O)(=O)C[C@H]2C)c(C)n1-c1ccccc1	894451049	ZGSQXIANOJSVMD-ACJLOTCBSA-N	360.479	2.186	10	10	FECE	
CNC(=O)C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccccc1	795603065	FNRAFIRIMIWFNX-NRFANRHFSA-N	366.509	2.405	10	10	FECE	
COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)c1sccc1-n1c(C)ccc1C	1171819692	UOEDPYUCESKDNN-UKRRQHHQSA-N	362.451	2.464	10	10	FECE	
C[C@H]1C[C@@]1(CNC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	2124299508	OHCSIBRTAWXGGV-BUXKBTBVSA-N	364.442	2.307	10	10	FECE	
CCN1CCC[C@@H]1CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1256235942	BDQVJBIOHYGEBF-MOPGFXCFSA-N	361.534	2.139	10	10	FECE	
C[C@@H](NC(=O)C(=O)NCC[C@@]1(C)CC1(F)F)c1ccc(N(C)C)cc1	1330518956	CTAOCNPMDSGYSB-PXAZEXFGSA-N	353.413	2.481	10	10	FECE	
CCc1onc(C)c1CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	1334162753	UQCNMXHBBCCXAE-LBPRGKRZSA-N	358.442	2.105	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)COc3ccc(N)cc3)C[C@@H]21	2132357323	QFWGZZQHOHLULT-CJNGLKHVSA-N	361.442	2.115	10	10	FECE	
COC[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1O	1504573583	VFQHXCWNTKMCRN-CQSZACIVSA-N	370.457	2.303	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc(OC)c(F)c3N)C2)cc1	1453211016	FNACBUUJNWKIMO-LBPRGKRZSA-N	359.401	2.434	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(F)nc1	1466398270	LPJHPCJZLYRXQL-UHFFFAOYSA-N	352.749	2.395	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2nnc(S)n2C)c1	1627335854	AGIDBGFDMBKQHK-UHFFFAOYSA-N	369.450	2.254	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3cc4c(cn3)OCCC4)cc2)CC1	1625145579	OPHUBGDLTAKCIT-UHFFFAOYSA-N	366.465	2.088	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)NCC[C@H]3C(=O)NN=C3C)c2C)cc1	1628270612	XGNIONJBCQVQOG-QGZVFWFLSA-N	368.437	2.345	10	10	FECE	
Cc1nn(C)c(C)c1[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(F)(F)F	1630408845	ZSHNKFAKCJUZRR-OAHLLOKOSA-N	357.332	2.410	10	10	FECE	
O=C(NC1(C(=O)NCc2c(O)cccc2O)CC1)OCc1ccccc1	1635847859	UOFAUKPEIKZSMJ-UHFFFAOYSA-N	356.378	2.173	10	10	FECE	
NC(=O)CCSCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1644133768	LIGYABDXSSHPSR-UHFFFAOYSA-N	368.414	2.009	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1	1593869630	VYPHTFNIIVECGF-AWEZNQCLSA-N	374.824	2.416	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1CC1([S@](C)=O)CCC1	1764722267	CWOVFPWJKMOTGZ-VWLOTQADSA-N	362.499	2.484	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c(C)nnc1N1CCC[C@H](CC(N)=O)C1	1761697325	CLPXKGSOKDXYGY-MRXNPFEDSA-N	370.501	2.101	10	10	FECE	
COc1cc(CN2CCN(c3ccc(CN(C)C)cn3)CC2)c(O)cc1C	160259380	XDLZCCSBPPFTEJ-UHFFFAOYSA-N	370.497	2.488	10	10	FECE	
Cn1nccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCN=[N+]=[N-]	1963732037	FSRNOQJKLCUDPF-LBPRGKRZSA-N	351.411	2.193	10	10	FECE	
COc1ccc(Br)c(CNCCCCS(C)(=O)=O)c1O	1964052414	PWCCJKMRHLBLGS-UHFFFAOYSA-N	366.277	2.078	10	10	FECE	
COC(=O)[C@]1(NCCCN=[N+]=[N-])CN(Cc2ccccc2)[C@]2(CCOC2)C1	2156296505	PAUMYPQGXNKSTP-RTBURBONSA-N	373.457	2.253	10	10	FECE	
CCNC(=O)CN(C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2	311576943	SIYBTEKKAWVQTD-UHFFFAOYSA-N	362.474	2.134	10	10	FECE	
CN(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)COc1ccc(N)cc1	2044620744	MQIUKMWJYYMNNX-UHFFFAOYSA-N	351.447	2.409	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NC(=O)Cc2ccc(N)cc2)C1	2044644435	OXTZEAPVDVMCGA-HWRSSNJWSA-N	367.471	2.103	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCC(CN=[N+]=[N-])CC2)CCOC1	2060640068	PEKRRWUBNOMUFL-INIZCTEOSA-N	353.423	2.219	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]12CC[C@@](CNCc3ccc(O)c(O)c3)(C1)OC2	2104911055	NDHMXAFLYSWCAF-OALUTQOASA-N	364.442	2.404	10	10	FECE	
CCOC(=O)[C@](N)(CSc1nccs1)C1(Br)CC1	2085659469	LFLMAULTQOZXHG-LLVKDONJSA-N	351.291	2.423	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)Nc1ccc(N)cc1	2106287246	YEWYVEKZCCOBEU-HUUCEWRRSA-N	364.446	2.415	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CN(CC(=O)Nc2ccc(N)cc2)CC12CC2	2106756425	HHKSDIIKOKVHCF-OAHLLOKOSA-N	360.458	2.196	10	10	FECE	
COC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2218742631	RKDASPJGLZVTKS-QNGPIJNLSA-N	353.423	2.406	10	10	FECE	
CC(C)(C)OC(=O)NCc1ncc(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])cn1	2225793537	XWLAUOKIWFAFDN-NEPJUHHUSA-N	361.406	2.463	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccc(O)c2O)C(F)(F)C1	2264446940	JFSLXFYPFSDFAJ-LBPRGKRZSA-N	372.368	2.472	10	10	FECE	
COc1ccc(C=C2C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1O	2293771885	MDHSRDYBVXITEE-UHFFFAOYSA-N	372.377	2.371	10	10	FECE	
COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OC)c1O	2296732973	ICEFRACOOZHSPS-UHFFFAOYSA-N	368.345	2.076	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CC(=O)NCCc1ccc(O)c(O)c1	2335798657	IHNCAUANWSYPFH-KGLIPLIRSA-N	364.442	2.307	10	10	FECE	
CN(C)c1ccc(CNC2(C(=O)O)CC(NC(=O)OC(C)(C)C)C2)cc1	2345083585	SBMRSUOHKKNPDF-UHFFFAOYSA-N	363.458	2.353	10	10	FECE	
COCCCN(Cc1cc(Cl)cc(C)c1O)[C@@H]1CCS(=O)(=O)C1	179605990	JKMFFGPCLXEFDD-OAHLLOKOSA-N	361.891	2.380	10	10	FECE	
Cc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3)CC2)c(O)c1O	181822925	MTVZHHBBRAESIO-UHFFFAOYSA-N	354.406	2.441	10	10	FECE	
Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)c(C)n1-c1ccccn1	190002187	MJJOHIBKNPIGTI-PKOBYXMFSA-N	365.437	2.483	10	10	FECE	
COc1ccc(N2CCN(c3nc(C)cc(C(=O)NC(C)C)n3)CC2)cc1	242862577	GGEVXEHKIRXROW-UHFFFAOYSA-N	369.469	2.258	10	10	FECE	
C[C@H]1CCCN1S(=O)(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	248760035	UJWUCIGHFQTTGN-GOEBONIOSA-N	354.472	2.102	10	10	FECE	
COc1ccc(N2CCN(c3ccc(NC(=O)NC4CC4)nn3)CC2)cc1	240772787	AWFOGPXQSYHFKR-UHFFFAOYSA-N	368.441	2.096	10	10	FECE	
COc1ccc(N2CCN(C(=O)CC(=O)N(C)c3ccccc3)CC2)cc1	243500073	NUZIQHWIPLTAHB-UHFFFAOYSA-N	367.449	2.397	10	10	FECE	
COc1cccc(CN2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c1O	368144455	ZHJKLUKZBYAIBY-JKSUJKDBSA-N	368.433	2.410	10	10	FECE	
COc1ccc(N2CCCN(c3ccnc(N4CCOCC4)n3)CC2)cc1	363973413	ONMAEYPUGULXQW-UHFFFAOYSA-N	369.469	2.039	10	10	FECE	
Cc1cc(Cl)cc(CN2CCN(c3ccc(C(N)=O)cn3)CC2)c1O	271715994	IJWXALPCKBCQHU-UHFFFAOYSA-N	360.845	2.170	10	10	FECE	
C[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1ccc(N2CCOCC2)c(F)c1	378406291	UTPSJWRAWRZQON-QRCPMIHRSA-N	361.461	2.322	10	10	FECE	
Cc1cc(CC(=O)NCCN2CCN(C)CC2)c(C)n1-c1ccccc1	820110204	SZEGJVXXFWIZCX-UHFFFAOYSA-N	354.498	2.000	10	10	FECE	
Cc1cc(CC(=O)N[C@@]2(CC(=O)O)CCOC2)c(C)n1-c1ccccc1	826139843	QAHJEBDXQSCXDB-HXUWFJFHSA-N	356.422	2.387	10	10	FECE	
CN1CCC2(CC1)CN(C(=O)NCCCSc1nccs1)CCO2	826693022	QBWIBXAZLRGAAB-UHFFFAOYSA-N	370.544	2.132	10	10	FECE	
Nc1cccc(OCCCOn2c(=O)c(=O)oc3ccc(Cl)cc32)c1	821297120	NBZGWQTYTPYCFS-UHFFFAOYSA-N	362.769	2.088	10	10	FECE	
O=S1(=O)C[C@@H](CNCc2c(O)cccc2Cl)Oc2ccccc21	842723131	XTOMRDJSYRRGTM-LLVKDONJSA-N	353.827	2.370	10	10	FECE	
Cc1cc(O)c(CN2CCN(c3ccc(C(N)=O)cn3)CC2)c(Cl)c1	840910447	MSBFCAGMTROQIW-UHFFFAOYSA-N	360.845	2.170	10	10	FECE	
C[C@H](COC1CCCC1)CS(=O)(=O)Nc1ccc(O)cc1C(=O)O	844782532	BLJOJIRIGHJGMY-LLVKDONJSA-N	357.428	2.427	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NC[C@]2(OCCO)CCOC2)c1	855405406	IBTZFUQROISPOP-OAQYLSRUSA-N	372.465	2.300	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3c(C4CC4)cnn3C)C2)cc1	852450357	KJNQJVURPGMQLB-OAHLLOKOSA-N	369.469	2.384	10	10	FECE	
CCOC(=O)CN1C(=O)/C(=C/c2c[nH]c(C(=O)OC)c2)c2ccccc21	755411319	PLZDEIZYJFFXBS-RIYZIHGNSA-N	354.362	2.252	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)NCC3(N)CCOCC3)cc2)CC1	861573174	CTEPMQCRTBWYRH-UHFFFAOYSA-N	360.502	2.230	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N[C@H](C)c3ccnn3C)CC2)cc1	869178285	HFTKCRJSJHXZFW-CQSZACIVSA-N	357.458	2.458	10	10	FECE	
COc1ccc(N2CCN(C(=S)NCc3cc(C)on3)CC2)cc1F	865233597	JIBJQEGFWCGQRG-UHFFFAOYSA-N	364.446	2.327	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)c1	786958660	HYKUFFOUOMERKQ-UFTRBMGRSA-N	369.461	2.338	10	10	FECE	
CCOC(=O)[C@H](C[C@@H]1CCCO1)NCc1ccc(N2CCOCC2)cc1	895866215	WZOFQPZVXLURNE-OALUTQOASA-N	362.470	2.114	10	10	FECE	
CCn1nccc1CN(CCO)C(=O)c1cc(C)n(-c2ccccn2)c1C	794058038	VIZPHYMNJQDKAD-UHFFFAOYSA-N	367.453	2.340	10	10	FECE	
CN1CCC(CNC(=S)NCc2cc(Br)ccc2O)CC1	795154962	KLARRCSNUWIPHE-UHFFFAOYSA-N	372.332	2.461	10	10	FECE	
CN1CCN(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)CC1	1084288042	KXAVIQOVXPBMMW-JLHYYAGUSA-N	364.452	2.048	10	10	FECE	
Cc1nnc(N2CCc3oncc3C2)n1Cc1ccc(N(C)C)c(F)c1	1304831359	PUPGPKNOPJMASB-UHFFFAOYSA-N	356.405	2.391	10	10	FECE	
Nc1ccc(CCNC(=O)C(=O)NCC2CC(c3ccccc3)C2)cc1	1331476023	NWCUCWSZQLVYJS-UHFFFAOYSA-N	351.450	2.238	10	10	FECE	
CCO[C@@H](C(=O)N1CCN(c2ccc(OC)cc2OC)CC1)C(C)C	1438187263	ZCDFKNLCNFFCTC-GOSISDBHSA-N	350.459	2.414	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@H]2CCOC2)n1CCN1CCCC1	1517146873	HLJZNZMRZWSGBK-KRWDZBQOSA-N	371.485	2.220	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)c2cc3cccn3cn2)N(C)C)cc1	1539234786	GKYVVIATLJGHQW-LJQANCHMSA-N	351.454	2.433	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[C@@H]1CCCS(=O)(=O)C1	1531695108	ZEXBZDKPXJHWPL-KRWDZBQOSA-N	364.511	2.460	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CC2)n1CCc1ccn(C)n1	1617940331	NBNGFRAEWUZDRE-UHFFFAOYSA-N	352.442	2.474	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(F)(C(=O)NCc2c(O)cccc2O)CC1	1472063523	LRGIWQQAVUZNBR-UHFFFAOYSA-N	368.405	2.453	10	10	FECE	
O=C(NC[C@H](CO)Cc1cccnc1)c1cc2cc(O)c(O)cc2s1	1626913275	ILRFBTZAEYTGCM-GFCCVEGCSA-N	358.419	2.289	10	10	FECE	
COc1ccc(-n2nnc(C(=O)N3Cc4cccc(O)c4C3)c2C)cc1	1632703876	RDIIZRTUULRUCF-UHFFFAOYSA-N	350.378	2.446	10	10	FECE	
Cc1cccc(=O)n1C[C@](C)(O)C(=O)NCc1c(O)ccc2ccccc12	1652709304	ZDQQZQDZDUVXHW-NRFANRHFSA-N	366.417	2.083	10	10	FECE	
COc1ccc(CNC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2cncn2C)cc1C	1669668682	KCMIRVVPTINRKV-USXIJHARSA-N	356.470	2.135	10	10	FECE	
C[C@H](NC(=O)[C@@H]1C[C@H](O)CN(C(=O)OC(C)(C)C)C1)c1ccccc1O	1877573904	QEMGEXRHFRJLJL-MJBXVCDLSA-N	364.442	2.187	10	10	FECE	
C[C@@H](NC(=O)[C@@]1(CO)CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O	1877570882	TUMJRNLAEKIJQT-YJYMSZOUSA-N	364.442	2.189	10	10	FECE	
O=C(O)CN1CCN(Cc2cc(Cl)cc(Br)c2O)CC1	708074743	DKUWYJNUEDYMHA-UHFFFAOYSA-N	363.639	2.010	10	10	FECE	
COc1ccc([C@H](C)n2ncc(CN)c2I)c(O)c1	2070398458	STSUBSAJNJLHAX-QMMMGPOBSA-N	373.194	2.270	10	10	FECE	
CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(Cc2cc(N)ccc2O)C1	2044652133	GISGYIXIUZKXCB-GJZGRUSLSA-N	351.447	2.088	10	10	FECE	
Cc1cccc(CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2CO)c1O	2052718882	ZYDBMAYCPBTHNZ-CVEARBPZSA-N	350.459	2.408	10	10	FECE	
Nc1cc(S(=O)(=O)NCc2ccccc2O)ccc1Br	2191708463	UJNZOLLLRPNTAY-UHFFFAOYSA-N	357.229	2.215	10	10	FECE	
Nc1ccc(NC(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cc1	2097696029	KUZNABYLKUMCIZ-RTBURBONSA-N	352.438	2.386	10	10	FECE	
COc1ccc(N2C[C@@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c(F)c1F	2219771329	MYVQPRMXVZAVKE-QWRGUYRKSA-N	358.385	2.438	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(CNCc2cccc(O)c2O)C1	2229487549	WEEGLNJYNMGBJI-AUUYWEPGSA-N	364.442	2.213	10	10	FECE	
CC(C)N1C[C@H](C)[C@@H](NC(=O)C=Cc2ccc(N3CCOCC3)cc2)C1	2298534766	UNGYCYURNAFWAC-PXNSSMCTSA-N	357.498	2.381	10	10	FECE	
C[C@H]1C[C@H](NC(=O)C=Cc2ccc(O)c(O)c2)C(=O)N1c1ccccc1	2307987990	WGRZEGJZYWBDMS-BBRMVZONSA-N	352.390	2.421	10	10	FECE	
Cc1cc(C=CC(=O)N2CC[C@@H](CO)[C@@H](O)C2)c(C)n1-c1ccccc1	2312495543	OSPKYUIGDQBLHP-ICSRJNTNSA-N	354.450	2.309	10	10	FECE	
NC(=O)c1ccc(NCC(=O)NCc2c(O)ccc3c2CCCC3)cc1	178293915	ACGAEFQQKPFIPF-UHFFFAOYSA-N	353.422	2.098	10	10	FECE	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)cc1F	131315316	CCVOBKWKTXSVLS-DZGCQCFKSA-N	350.438	2.125	10	10	FECE	
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)Cc1ccccc1O	136948041	RBDHRJMVKXXLDU-LBPRGKRZSA-N	357.366	2.077	10	10	FECE	
O=C(c1c(F)ccc(O)c1O)N1CCCN(Cc2cscn2)CC1	276509487	AXABKWMUICCOPJ-UHFFFAOYSA-N	351.403	2.042	10	10	FECE	
Cn1nccc1CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	284248765	VLOOKPRHVKWEBB-UHFFFAOYSA-N	370.453	2.103	10	10	FECE	
CC(C)Cn1ccnc1CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	807389840	POHPDFCGGCKJGX-HNNXBMFYSA-N	371.485	2.099	10	10	FECE	
Cc1cnc(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)o1	813816943	SGZCXJWJXMQYKR-UHFFFAOYSA-N	354.454	2.445	10	10	FECE	
CN(C)c1ccc([C@@H](N)CN[C@H](c2ccc(F)cc2)c2cnn[nH]2)cc1	817943340	UOHDRDMLKPPHPI-PKOBYXMFSA-N	354.433	2.389	10	10	FECE	
Cc1ccc(CN(CC(=O)NC(N)=O)c2ccc3c(c2)OCCO3)s1	727150560	VQMAYNAAIBWPSJ-UHFFFAOYSA-N	361.423	2.029	10	10	FECE	
C[C@@H]1CO[C@H](C(F)(F)F)CN1CC(=O)NCc1ccc(N(C)C)cc1	839601576	SQOIFEGDMHEGTN-DOMZBBRYSA-N	359.392	2.020	10	10	FECE	
COc1ccccc1[C@H](O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	900387103	QNTFAICAKCOUKD-YWZLYKJASA-N	370.449	2.443	10	10	FECE	
CCOC[C@@H](C)CS(=O)(=O)NCc1cc(Br)ccc1O	831521473	AEQLBJRZBVVUCX-SNVBAGLBSA-N	366.277	2.247	10	10	FECE	
COc1ccc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1O	748202470	MMCOSCBKAYIZHA-UHFFFAOYSA-N	372.421	2.282	10	10	FECE	
O=C(O)/C=C\c1ccc(N2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c([N+](=O)[O-])c1	844215043	CRNCRVJYDIGSEO-DMZMFWNWSA-N	362.382	2.059	10	10	FECE	
CCN(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCOC1	844896499	BBZHCSOHTARUQX-MRXNPFEDSA-N	365.449	2.373	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)C2)cc1	855232354	QKFSRGCIKXTBFC-GJZGRUSLSA-N	359.470	2.037	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)C=C3CCNCC3)cc2F)C[C@H](C)O1	852859967	GBVWYQLZUKHHFG-GJZGRUSLSA-N	361.461	2.365	10	10	FECE	
NC(=O)c1ccc(CC(=O)NCc2ccc(N3CCCCC3)cc2)cn1	858837331	NYMQWGPSTRTOMV-UHFFFAOYSA-N	352.438	2.030	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Cc3ccc(O)c(OC)c3)C2)cc1	855223483	APWUMARMGZVYPR-OAHLLOKOSA-N	356.422	2.347	10	10	FECE	
CCS(=O)(=O)NCCOC(=O)Cc1cc(C)n(-c2ccccc2)c1C	853933824	KBTPPQKKKHVJCE-UHFFFAOYSA-N	364.467	2.119	10	10	FECE	
Cn1ccnc1[C@@H](NCc1ccc(N2CCOCC2)cc1)C(C)(C)CO	930902468	STOLCKSUWQNVIP-GOSISDBHSA-N	358.486	2.106	10	10	FECE	
C[C@H](NCC[S@](=O)C(F)(F)F)c1ccc(N2CCOCC2)cc1	930209774	IJPYEMNEAAPJFY-MYODQAERSA-N	350.406	2.442	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3C3CCOCC3)cc2)CC1	881854547	GCXNQOVYTIHHED-VQTJNVASSA-N	357.498	2.117	10	10	FECE	
COC(=O)c1c(CN[C@H]2CCn3ccnc3C2)c2cc(F)ccc2n1C	894493721	LDJFKFUTVFGIFB-ZDUSSCGKSA-N	356.401	2.405	10	10	FECE	
C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)C(=O)NCCCSc1nccs1	897730337	LVKOLSOAXQPFOL-NDBYEHHHSA-N	353.513	2.150	10	10	FECE	
COc1ccc(N2CCCN(C(=O)/C=C\[C@H]3COC(C)(C)O3)CC2)cc1	1141985085	FJWDPOHZOCTJCD-LPADLIQXSA-N	360.454	2.442	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)[C@H](OCC)[C@@H]3CCOC3)CC2)cc1	1329379440	RMJDBXFJWOHRKQ-VQIMIIECSA-N	362.470	2.176	10	10	FECE	
CN1CCc2cc([C@H](N)[C@]3(O)CC[C@@H]3CNC(=O)OC(C)(C)C)ccc21	2117892973	SDZUSHIWCHVYBQ-SYNHAJSKSA-N	361.486	2.345	10	10	FECE	
CCOC(=O)CN(Cc1nc([C@H](C)OCC)no1)Cc1ccccc1O	1171390887	RULVMEZXUJJXKS-ZDUSSCGKSA-N	363.414	2.438	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3cccc(OC)n3)C2)cc1	1327703996	WCBIYPSEDSGNDO-OAHLLOKOSA-N	356.426	2.177	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NC2C[C@@H]3[C@@H](C2)C3(F)F)cc1	1334016553	OCJDZFZFLUCSRE-HZPDHXFCSA-N	365.424	2.309	10	10	FECE	
CN1CCc2cc(CNC[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)ccc21	1918981188	MHFSDZLCRXYLBM-HXUWFJFHSA-N	361.486	2.140	10	10	FECE	
CCS(=O)(=O)c1ccccc1CCNC(=O)c1c(F)ccc(O)c1O	1472617543	KFDZUNABTDNCKZ-UHFFFAOYSA-N	367.398	2.003	10	10	FECE	
COCCN(C)c1nnc(C2CC2)n1Cc1ccc(N2CCOCC2)cc1	1619868097	UDFDDEUNXWTRLN-UHFFFAOYSA-N	371.485	2.123	10	10	FECE	
C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1ccc(O)c(O)c1	1624377429	PKJKBANFDOEUBA-CYBMUJFWSA-N	352.394	2.441	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H](CC)N(CC)CC	1570514551	GSWXCXCKFFFFKE-INIZCTEOSA-N	350.459	2.404	10	10	FECE	
O=C(CNC(=O)c1ccc(F)cc1F)NCc1cc(Cl)ccc1O	1583821253	WUNUBRBVRYGYRE-UHFFFAOYSA-N	354.740	2.370	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1ccc(S[C@H]2CCOC2=O)cc1	1593873138	JTHJWILZAZOSGC-INIZCTEOSA-N	359.403	2.435	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCO[C@]3(CCO[C@H]3C)C2)c([N+](=O)[O-])c1	1773002575	YRVWYBICQWFCTO-FPSANXDJSA-N	362.382	2.165	10	10	FECE	
CCOC(=O)c1ccccc1NC(=O)CN1C(=O)[C@H](CC)SC1=S	11635707	KRWPPULFSIAPMC-LBPRGKRZSA-N	366.464	2.441	10	10	FECE	
COc1ccc(O)c(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)c1	155951082	CFTSERBLIBNUIA-SJORKVTESA-N	360.454	2.446	10	10	FECE	
COC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(N)cc2)cc(C(=O)OC)c1	1860078855	RCVFMIQMWYYKEX-NSHDSACASA-N	372.377	2.248	10	10	FECE	
C[C@H](NC(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1O	1877573237	ISIDHILMRUPHSB-ZDUSSCGKSA-N	364.442	2.331	10	10	FECE	
C[C@H](NC(=O)[C@@H]1COC[C@@H]1N(C)C(=O)OC(C)(C)C)c1ccccc1O	1877568701	VKIAOEZOAKPMNV-CFVMTHIKSA-N	364.442	2.451	10	10	FECE	
C[C@H](N)c1ccc(N(C)C[C@@H]2CCCS2(=O)=O)cc1Br	694120928	TWIUTUAZKSGEHM-JQWIXIFHSA-N	361.305	2.482	10	10	FECE	
Nc1ccc(-n2ccc(C(=O)NC[C@H]3CCN3Cc3ccccc3)n2)cc1	716245049	UDRZOMSKWHDMCA-LJQANCHMSA-N	361.449	2.459	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)c2cccc(O)c2O)C1	790664241	BMIOVAYGDFYDME-GFCCVEGCSA-N	350.415	2.475	10	10	FECE	
COc1ccc(O)c(Cn2ncc(OC)c2I)c1	2070309916	PLPYNDNRVRILCC-UHFFFAOYSA-N	360.151	2.259	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N2CCC(N=[N+]=[N-])CC2)C1	2060640268	SDVWTZXBDWKZRH-ZDUSSCGKSA-N	353.423	2.314	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2060617640	PFCVIMMAGJYIPJ-YNEHKIRRSA-N	353.423	2.027	10	10	FECE	
C[C@@H](NC(=O)COc1ccc(N)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	2106268638	OIELINKYRMIPMA-ZIAGYGMSSA-N	363.458	2.409	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2NC(=O)COc1ccc(N)cc1	2106264547	HYIVJODHUFDQEJ-OAGGEKHMSA-N	361.442	2.162	10	10	FECE	
CN1CCc2cc([C@H](O)c3nn(C)cc3I)ccc21	2121115477	VMEGPKFDZRBOSQ-AWEZNQCLSA-N	369.206	2.099	10	10	FECE	
CC(C)(C)OC(=O)NC1CCN(CC(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])CC1	2225791221	BTSUZEGLIPOPKP-KGLIPLIRSA-N	366.466	2.323	10	10	FECE	
CC(C)(C)N1C[C@H](NC(=O)C=Cc2ccc(N3CCOCC3)cc2)CC1=O	2297759260	PDGSSNHFYDLPQU-QGZVFWFLSA-N	371.481	2.052	10	10	FECE	
COC(=O)C=Cc1ccc(N2CCCN(C(=O)C3CC3)CC2)c([N+](=O)[O-])c1	2310501159	OFUOIOZJNIOIPW-UHFFFAOYSA-N	373.409	2.230	10	10	FECE	
CN(C)c1ccc(CNC(=O)NCCCNC(=O)OC(C)(C)C)cc1	103502283	ASPSCGOSBNHZEG-UHFFFAOYSA-N	350.463	2.467	10	10	FECE	
CC(=O)N1CC[C@@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1	85709674	UDRNKJWTMQRYLN-CYBMUJFWSA-N	362.385	2.269	10	10	FECE	
COc1ccc(CNC(=O)N[C@@H](C)c2nnc3n2CCCCC3)c(O)c1	377080168	FDBFYAUKCVYIAC-LBPRGKRZSA-N	359.430	2.279	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@@]2(CCCOC2)C1	286612067	LZWHPMHNPROMED-FQEVSTJZSA-N	359.470	2.378	10	10	FECE	
O=C(CCc1ncc[nH]1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	807183806	IKLKQPRZWYGYFV-UHFFFAOYSA-N	367.497	2.191	10	10	FECE	
COC(=O)c1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)o1	819973997	GYVHQFSJWITDGJ-UHFFFAOYSA-N	372.421	2.483	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)C2	819485282	ROXLGZMOVPAIKF-BEAPCOKYSA-N	362.426	2.012	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)NCCNC(=O)c2ccccc2)c1	728944022	IHDDXUMUYXGCNY-CYBMUJFWSA-N	357.410	2.191	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccn(C2CCOCC2)n1	825341224	CVUBIYCLZMVEEK-LBPRGKRZSA-N	360.414	2.399	10	10	FECE	
COC(=O)[C@H](COC(C)C)N(C)C(=O)c1cc2cc(O)c(O)cc2s1	901117597	MAHOEKYCCONDRW-NSHDSACASA-N	367.423	2.351	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)c1nnc([C@@]2(C)CCCO2)n1C	834918977	DDMDKPWYYYBJGX-HXUWFJFHSA-N	371.485	2.314	10	10	FECE	
C[C@@H](C(=O)NC1CC1)N1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1	835026357	VPRNQUXJIMUZKQ-CHYADLBTSA-N	356.514	2.051	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@@]34CCC[C@@H]3C4)cc2)C1	914292389	ULJSPVCFYNVIJR-LZJOCLMNSA-N	370.497	2.378	10	10	FECE	
COCCN(C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)[C@@H]1CCOC1	840484819	PZCNHXRJAMVJKX-QFBILLFUSA-N	363.502	2.439	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3CCCCN(C)C3)C2)cc1	858599215	KHKHYZXXJMMKGD-IAGOWNOFSA-N	360.502	2.305	10	10	FECE	
Cc1oc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1S(C)(=O)=O	858199113	BBHLURQSJNIZDW-UHFFFAOYSA-N	350.440	2.330	10	10	FECE	
CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N[C@@H](C)c1ccccc1O	827969625	QCTOISXTBDQSPS-STQMWFEESA-N	352.431	2.499	10	10	FECE	
O=S1(=O)CCN(Cc2c(O)cccc2Br)[C@H]2CCC[C@H]21	862388078	WTUPPTIBTONISC-GXTWGEPZSA-N	360.273	2.306	10	10	FECE	
COCc1ncc2c(n1)CCN(c1cc(OC)c(OC)cc1[N+](=O)[O-])C2	865991516	AQEGPMHMJHWRBK-UHFFFAOYSA-N	360.370	2.111	10	10	FECE	
CO[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(O)cc1	765983955	WZHSQMPDSQVPIF-LJQANCHMSA-N	374.412	2.372	10	10	FECE	
CCO[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CCOC1	864919504	XHHSHEDWWMYIMZ-FUHWJXTLSA-N	364.511	2.298	10	10	FECE	
C[C@]1(NCc2cc(Cl)cc(Br)c2O)CCS(=O)(=O)C1	708138122	IAFFWNWCACVOBZ-LBPRGKRZSA-N	368.680	2.475	10	10	FECE	
O=C(O)CCN(Cc1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	692407754	GDYUUOTUCDKPBJ-UHFFFAOYSA-N	371.349	2.407	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc(O)c2O)[C@@H](F)C1	1649069107	HUAZHACXUGJYAO-NWDGAFQWSA-N	354.378	2.175	10	10	FECE	
COC(=O)/C=C\c1ccc(N(CC(=O)OC)CC(C)C)c([N+](=O)[O-])c1	1253782625	HQQKMIPBLZZXBF-VURMDHGXSA-N	350.371	2.416	10	10	FECE	
C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cc(O)c(O)c(O)c1	2132402045	WXEXOMBYTSHGOY-PWSUYJOCSA-N	366.414	2.321	10	10	FECE	
Cc1sc(S(N)(=O)=O)cc1C(=O)N(C)Cc1ccc(N(C)C)cc1	1347271152	BXCNZOJHSQKMMI-UHFFFAOYSA-N	367.496	2.042	10	10	FECE	
CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1	1449077577	QWAKIVRMZRXVBK-HNNXBMFYSA-N	364.442	2.500	10	10	FECE	
C[C@H](NCc1cccc(O)c1O)C1(O)CCN(C(=O)OC(C)(C)C)CC1	1918979480	YAXWUJXXBYJFBQ-ZDUSSCGKSA-N	366.458	2.338	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC[C@@H](c3cn(C)nn3)C2)c([N+](=O)[O-])c1	1613060004	BYOHNBHTXFRCCF-IZPAUZPXSA-N	371.397	2.294	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1nc(-c2cnccn2)no1	1623549419	ABAZHIKREQVYSM-UHFFFAOYSA-N	364.409	2.399	10	10	FECE	
COC(=O)c1nc(CNC(=O)NCc2c(O)cccc2F)ccc1Cl	1636800980	MIXICZPXHBAERL-UHFFFAOYSA-N	367.764	2.366	10	10	FECE	
O=C(C[C@H](c1ccccc1)N1CCOC1=O)NCc1cc(O)ccc1O	1633595219	MPTDVAFHTTZADW-MRXNPFEDSA-N	356.378	2.298	10	10	FECE	
Cc1cnn(-c2cc(C(=O)NCc3ccc(O)cc3O)c(N)cc2F)c1	1643103843	HOIMECXHWFFBPA-UHFFFAOYSA-N	356.357	2.243	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCCCCS(C)(=O)=O	1683482843	DKOYCNZDWORKBX-UHFFFAOYSA-N	367.515	2.253	10	10	FECE	
COc1ccc(OC)c(NC(=O)CCN2C(=O)[C@H](C)SC2=S)c1	11636005	FVPSDJYWFIELNH-VIFPVBQESA-N	354.453	2.281	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2O)[C@H](C(=O)O)C1	1964703536	PLVLMKRYUZLUCP-ZDUSSCGKSA-N	354.378	2.037	10	10	FECE	
Nc1ccc(OCC(=O)N[C@H]2CC[C@H]2NC(=O)OCc2ccccc2)cc1	1999146390	KFZVPMYTXJNCML-ZWKOTPCHSA-N	369.421	2.221	10	10	FECE	
CCN(c1cc(Br)c(CN)cc1F)[C@@H](C)CS(C)(=O)=O	2170426036	WURFZMLLVNEHTK-VIFPVBQESA-N	367.284	2.306	10	10	FECE	
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)C(=O)C[C@H]1C[C@H](N)C1	2049782506	JSOPFJGFVIXUEF-IHRRRGAJSA-N	350.459	2.289	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)OC[C@@H]2C(=O)NCCCCN=[N+]=[N-]	2060634598	BSKYRPKSEJQAEA-AGIUHOORSA-N	353.423	2.075	10	10	FECE	
CO[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2060611024	OMEKQWSPDDPEBG-AGIUHOORSA-N	353.423	2.312	10	10	FECE	
CC1(NC(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)CC1	2080887978	NVFYKPIJFPSBPY-LBPRGKRZSA-N	350.415	2.202	10	10	FECE	
CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@@H]1[C@H](N)c1ccccc1O	2084658870	BYFJWRDQVDSBSJ-KLHDSHLOSA-N	352.431	2.041	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)Nc1ccc(N)cc1	2106287245	YEWYVEKZCCOBEU-GJZGRUSLSA-N	364.446	2.415	10	10	FECE	
C[C@H]1CN(C(=O)COc2ccc(N)cc2)C[C@@H]1CNC(=O)OC(C)(C)C	2106693618	DVDVSVRFBKLLEM-KBPBESRZSA-N	363.458	2.267	10	10	FECE	
CC(C)(C)OC(=O)N[C@]12CC[C@H]1CN(CC(=O)Nc1ccc(N)cc1)C2	2106758601	ZHCSVGCSKIZVEX-DJJJIMSYSA-N	360.458	2.196	10	10	FECE	
CC(C)(C)OC(=O)NCCN(CC(=O)Nc1ccc(N)cc1)CC(F)F	2106743017	SRHYCLQUEMEJKM-UHFFFAOYSA-N	372.416	2.299	10	10	FECE	
COCC[C@@H](CNC(=O)Nc1ccc(N)cc1)NC(=O)OC(C)(C)C	2218567278	JVAFARNFKVMIHT-AWEZNQCLSA-N	352.435	2.320	10	10	FECE	
COc1ccc(N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C2)c(OC)c1	2219648332	YRYYZUPXHKGQLR-QWHCGFSZSA-N	352.431	2.168	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](COc3ccc(N)cc3)O[C@H]2C1	2253907061	SZZKLVLFYMGXSL-PMPSAXMXSA-N	350.415	2.051	10	10	FECE	
COc1ccc(N(C)CC2(O)CN(C(=O)OC(C)(C)C)C2)cc1OC	2259119609	BGEWRXAYBUVKCV-UHFFFAOYSA-N	352.431	2.122	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N1CCC[C@@H]1Cn1ccnc1	2297805089	GSRSEUVOEVMGJU-HXUWFJFHSA-N	366.465	2.424	10	10	FECE	
CCOc1c(C=C2SC(=S)N(CC(=O)O)C2=O)cccc1OC	2313728174	VZODGZACDXCZMB-UHFFFAOYSA-N	353.421	2.380	10	10	FECE	
C[C@H](NC[C@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(O)cc1O	2330273747	DFWZAHXGBQRYOM-SAUZDDAKSA-N	366.458	2.413	10	10	FECE	
COc1cc(O)c(CN(C)[C@H]2CCCN(c3cccnn3)C2)cc1OC	180079097	ASBGOOCRYSCVQV-HNNXBMFYSA-N	358.442	2.300	10	10	FECE	
CN(C)c1ccncc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	183524437	HAJIJWKSXJZOOF-UHFFFAOYSA-N	358.417	2.053	10	10	FECE	
CCN(CC)c1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])nc2)cc1	195114125	CTYQAEANZXEZIE-UHFFFAOYSA-N	364.427	2.315	10	10	FECE	
CCN[C@H]1C(=O)Nc2cc(N(C)CC[C@@H](C)O)c(Br)cc21	135567762	YQCYBRCBPZETDO-YMTOWFKASA-N	356.264	2.259	10	10	FECE	
CCN(CC)C(=O)c1cnc(N2CCN(c3ccc(OC)cc3)CC2)cn1	244367824	XXCPRCUWXWBRPH-UHFFFAOYSA-N	369.469	2.294	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CC3(CCOCC3)CC[C@@H]2CO)c1O	528642831	WSSUKEWFMAIBRE-MRXNPFEDSA-N	351.418	2.487	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)NCCC(=O)N1CCCCC1	255386208	JFILDTBLXSLUHF-TWGQIWQCSA-N	371.481	2.055	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N[C@@H]1c2ccccc2C[C@@H]1O	255392873	BKDMPDSOKPOMHE-XTWPOXJWSA-N	364.445	2.311	10	10	FECE	
COc1cc(-c2noc(-c3nnsc3N)n2)ncc1Br	2381016692	GYBZJFWSRUMBPW-UHFFFAOYSA-N	355.177	2.003	10	10	FECE	
CC(=O)C(=O)COC(=O)CSc1nc2ccccc2nc1N1CCCC1	808527177	ABTCWZVWFWWYFO-UHFFFAOYSA-N	373.434	2.023	10	10	FECE	
C[C@@H](NC(=O)N1[C@H]2CC[C@H]1[C@H](CO)C2)c1ccc(N2CCOCC2)cc1	812015417	PLBXZLGBJOOSDO-XIVBQZFQSA-N	359.470	2.139	10	10	FECE	
CN(C)CCC[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CCO1	827856112	LTRHSYZLOXKVMQ-AWEZNQCLSA-N	357.838	2.496	10	10	FECE	
CC1(C)OC[C@H]2C[C@]21C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	829264362	PPJGJOZFBCCDMJ-JLTOFOAXSA-N	362.445	2.218	10	10	FECE	
COC(=O)C1CC2(C1)CN(Cc1cc(Cl)ccc1O)C[C@H]2C(=O)O	903693811	JJPHCGJBWLAIAT-XKZABGERSA-N	353.802	2.131	10	10	FECE	
COc1ccc(N2CCC(NS(=O)(=O)[C@H]3CCO[C@H](C)C3)CC2)cc1	830352342	LMWOGMILVZRTHM-KDOFPFPSSA-N	368.499	2.151	10	10	FECE	
O=C(O)c1ccnc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	911096434	MMRAVFVUJBNJLZ-HNNXBMFYSA-N	356.378	2.307	10	10	FECE	
O=C(NCC[C@@H]1CCNC1)C(=O)N(Cc1ccccc1O)C1CCCCC1	842231840	AQAAFDUMIRPPKD-INIZCTEOSA-N	373.497	2.169	10	10	FECE	
CO[C@@H](c1ccc(O)c(O)c1)[C@H](NC(=O)OCc1ccccc1)C(=O)O	1952305902	FSFZFMLTOQGLCG-HOTGVXAUSA-N	361.350	2.165	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCC[C@@]2(C)C[C@]2(F)Cl)cc1F	846727298	SECMIIVAVHYQSD-DLBZAZTESA-N	373.831	2.329	10	10	FECE	
COC(=O)[C@H](NCc1cc(C)cc(Br)c1O)c1ccnn1C	843429601	HQDDOZASDZZGSJ-CYBMUJFWSA-N	368.231	2.201	10	10	FECE	
C[C@H](NC[C@@H]1CN(Cc2ccncc2)CCO1)c1cc([N+](=O)[O-])ccc1O	858565471	QKGSQKKOYRWKLP-WMLDXEAASA-N	372.425	2.247	10	10	FECE	
COc1ncc(/C=C/C(=O)N2C[C@@H](N(C)C)CCc3ccccc32)cn1	857926567	HTGKAGCKYICXRQ-YRYLYKBFSA-N	352.438	2.408	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H]3CCN(C)C[C@H]3C)C2)cc1	854300730	YZEBUQAKZJRTEF-JTDSTZFVSA-N	360.502	2.256	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCO[C@@H]3C(=O)O)c2C)cc1	851616483	PFDOPBPOWVXYPF-SJORKVTESA-N	358.394	2.075	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3[C@@H]3C[C@H]3C)cc2)CC1	867681477	XYNQNPPXPDCZIA-LMFCIFFHSA-N	355.482	2.263	10	10	FECE	
CCN(CC)c1ccc(CN2CCN(c3nccn(C)c3=O)CC2)cc1F	769466986	RUFHPAQQSPLYCA-UHFFFAOYSA-N	373.476	2.088	10	10	FECE	
Cn1nc(C2CC2)cc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2	1117783336	YJBBOJBIWWQLAT-UHFFFAOYSA-N	368.437	2.137	10	10	FECE	
C[C@@H]1Cc2cc(C(=O)N3Cc4cccc(O)c4C3)ccc2N1S(C)(=O)=O	871197944	ARMIERCYTPYDKC-GFCCVEGCSA-N	372.446	2.259	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CC[C@H](Nc3ncccn3)C2)c([N+](=O)[O-])c1	1118124762	JFZLBYIWGLZDGV-SDQPKGBYSA-N	369.381	2.262	10	10	FECE	
CC(=O)C(C)(C)CCC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	773287723	XSXIZRLTVJREPC-QGZVFWFLSA-N	373.497	2.400	10	10	FECE	
Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773991649	ZPJSROLDTAXTTB-NSHDSACASA-N	367.496	2.261	10	10	FECE	
Cn1nnnc1C1CCN(Cc2cc(Br)cc(F)c2O)CC1	895470598	LZDCGVIHYHACDA-UHFFFAOYSA-N	370.226	2.197	10	10	FECE	
C=CC(=O)Nc1ccc(O)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1	1138152459	IEEFUIPPPKLZFT-LLVKDONJSA-N	356.378	2.289	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@]3(c4ccccc4)C[C@H](O)C3)C2)cc1	1146950268	LUNCPDZUSJOSJA-LQBOVUBWSA-N	366.461	2.483	10	10	FECE	
CON(C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N2CCOCC2)cc1	1302344956	UYLKUFRDNNKOAP-UHFFFAOYSA-N	368.441	2.156	10	10	FECE	
COc1cccc(O)c1CN[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO	2116272328	CBYABMRRYDLIAK-HIFRSBDPSA-N	366.458	2.108	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)NCc1ccccc1O	2124102725	FMMMAUHJMABIDI-HUUCEWRRSA-N	364.442	2.280	10	10	FECE	
CO[C@H]1C[C@@H](C(=O)NCC2(CN=[N+]=[N-])CC2)CN(C(=O)OC(C)(C)C)C1	2124532694	LPUGKWSHFMJMKO-OLZOCXBDSA-N	367.450	2.465	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3C[C@H]4CCC[C@@H]43)CC2)cc1	1334615045	LDAIEMYAPXFMIZ-MDASCCDHSA-N	371.481	2.085	10	10	FECE	
Cc1ccc(C(=O)N[C@@H](C(=O)NCc2c(O)cccc2O)C(C)C)cc1	1456238591	ZZNGEFYEWHQUDZ-GOSISDBHSA-N	356.422	2.477	10	10	FECE	
O=C(NCc1ccc(O)cc1O)[C@H]1CCN(c2cccc(Cl)c2)C1=O	1299574963	UNQFGRPHYBOCMX-OAHLLOKOSA-N	360.797	2.421	10	10	FECE	
Cc1nnc(N(C)CC(F)(F)F)n1Cc1ccc(N2CCOCC2)cc1	1707858901	GOHDVHJBCQBLME-UHFFFAOYSA-N	369.391	2.470	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc2c(N(C)C)ncnc2n1C	1543310030	NBNPDJBLXMKLMM-UHFFFAOYSA-N	366.469	2.339	10	10	FECE	
C[C@H]1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CCS1(=O)=O	1558517650	LDAZYFIRKGFPHN-WCBMZHEXSA-N	355.437	2.008	10	10	FECE	
CCn1ncnc1-c1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1	1636022046	FESRIPCLDNVKEB-UHFFFAOYSA-N	352.394	2.349	10	10	FECE	
COC(=O)[C@](C)(Cc1ccc(F)cc1)NC(=O)Cc1ccc(O)c(O)c1	1589141909	OQEHZOFFWOFWEP-IBGZPJMESA-N	361.369	2.070	10	10	FECE	
Cc1cccc(CNC(=O)[C@@](C)(NC(=O)C(F)(F)F)C(F)(F)F)c1O	2139760805	UVPFGHRNYGWBGQ-GFCCVEGCSA-N	372.265	2.316	10	10	FECE	
COc1ccc(N2C(=O)/C(=C/c3ccccc3O)C(=O)NC2=S)cc1	208467674	FARHVGJLRUJNJW-GXDHUFHOSA-N	354.387	2.232	10	10	FECE	
CN[C@@H](c1ccccc1O)C1(O)[C@H]2COC[C@H]1CN(Cc1ccccc1)C2	2167762765	CUBLGWXKCMQLEH-OPYAIIAOSA-N	368.477	2.162	10	10	FECE	
CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(Cc2cc(N)ccc2O)C1	2044652132	GISGYIXIUZKXCB-CABCVRRESA-N	351.447	2.088	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NCc2c(O)cccc2F)C1	2052720158	IUNWQNFDXHCGPB-SWLSCSKDSA-N	354.422	2.239	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](CNCc2ccc(O)c(O)c2)C[C@H]2OCC[C@H]21	2090474002	VCCSDAKCPZDNEE-JJRVBVJISA-N	364.442	2.354	10	10	FECE	
CC(C)(C)OC(=O)NCCOCCOCCNCc1ccccc1O	2218553259	SHDWKUGRTNOZTG-UHFFFAOYSA-N	354.447	2.040	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)N1CCC[C@@H](N=[N+]=[N-])C1)[C@@H]1CCOC1	2259903944	ZKLLCQXVIFGMAF-CHWSQXEVSA-N	353.423	2.314	10	10	FECE	
C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C=Cc1ccc(N2CCOCC2)cc1	2297636519	PAIFARKDSXDWPD-PXNSSMCTSA-N	357.498	2.335	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)c1cc(=O)n2ccccc2n1	10810081	OHEUOHLCGQHZCR-UHFFFAOYSA-N	350.422	2.168	10	10	FECE	
COc1ccc(OC)c(N2C(=O)/C(=C/N3CCOCC3)SC2=S)c1	59397214	FBBQRYVMUDCCHD-UVTDQMKNSA-N	366.464	2.242	10	10	FECE	
CNC(=O)CCCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S	102428877	OFYNMGXTLZMYIC-JLHYYAGUSA-N	350.465	2.423	10	10	FECE	
CC(C)NS(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	62370892	QHTCKJJIHGZSQZ-SFHVURJKSA-N	368.547	2.112	10	10	FECE	
Cc1nn(C)c(C)c1CCNC(=O)NCc1ccc(N2CC=CC2)cc1	125408327	FHVXPIRNVXOWKX-UHFFFAOYSA-N	353.470	2.455	10	10	FECE	
COC(=O)Cn1ncc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1C	195150100	PVBZVXCPXNYNCD-AWEZNQCLSA-N	358.442	2.374	10	10	FECE	
C[C@]1(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CCCO1	92126041	GDIXSZKJXOCSSG-OAQYLSRUSA-N	357.498	2.404	10	10	FECE	
Cc1cc(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)ncn1	92126125	JPGYASPAELZJOM-UHFFFAOYSA-N	365.481	2.247	10	10	FECE	
CCN(CC)c1ccc(CN(C)c2nnc([C@@H]3COCCO3)n2C)cc1	800746338	SBCIWLBJMJSCKM-KRWDZBQOSA-N	359.474	2.386	10	10	FECE	
C[C@H](NC(=O)C1CN(CC(F)(F)F)C1)c1ccc(N2CCOCC2)cc1	806613879	CUQQZRKLSMLTNM-ZDUSSCGKSA-N	371.403	2.195	10	10	FECE	
COC(=O)c1cnc(SCC(=O)N2CCO[C@H]3CCCC[C@H]32)s1	295303220	MNGIJBDIVWPUTF-MNOVXSKESA-N	356.469	2.192	10	10	FECE	
C[C@H](NC(=O)N[C@@H]1CCc2nc[nH]c2C1)c1ccc(N2CCOCC2)cc1	811867626	PWGZRWNMUPTRKV-GOEBONIOSA-N	369.469	2.164	10	10	FECE	
O=S(=O)(NCc1ccc(N2CCSCC2)cc1)c1cscn1	827007724	ABWIGODPHOEZPU-UHFFFAOYSA-N	355.510	2.175	10	10	FECE	
COc1cc(N2CCN(Cc3cnn4c3CCC4)CC2)cc(OC)c1OC	825514637	QWFOAXQSBJSIQB-UHFFFAOYSA-N	372.469	2.177	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H](OC)C1CCC1	831706093	ACVZGLQNOAPAPC-INIZCTEOSA-N	355.818	2.362	10	10	FECE	
COC(=O)[C@@H]1CSCCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1	840353987	IIOCIBQHULTLRU-HIFRSBDPSA-N	365.499	2.361	10	10	FECE	
COc1cc(Br)cc([C@H](C)NC[C@H]2CN(C)CCN2C)c1O	848528204	KJWGFHLBPQAQEZ-AAEUAGOBSA-N	372.307	2.060	10	10	FECE	
CCN(CC(=O)NC)CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C	749846252	WOJGIOGCCIQETC-UHFFFAOYSA-N	371.437	2.073	10	10	FECE	
C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCCc2cc(CN)ccc21	843349646	HMJMLABSGMNAFJ-WMLDXEAASA-N	358.486	2.302	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)/C=C/CN(C)CC(F)(F)F)C2)cc1	855223554	BUUBHNBNBSCQAM-XGACYXMMSA-N	371.403	2.440	10	10	FECE	
COc1cc([C@H]2[C@H](C(=O)O)CCN2C(=O)OC(C)(C)C)cc(O)c1O	1952909741	JLLNXBRFGBPVAI-MFKMUULPSA-N	353.371	2.489	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccc([C@H]2CNCCO2)cc1	850765965	WEUGRIZTWSNNNR-GOSISDBHSA-N	357.410	2.123	10	10	FECE	
C[C@H](NC[C@@H](O)[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1Cl	858468011	BHUKFMPOLVUTAU-VHSSKADRSA-N	354.878	2.367	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCC(=O)N(C)C)C1	769664519	GFZAAJFGLXDHHP-UHFFFAOYSA-N	357.454	2.039	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(c3nccnn3)CC2)cc1	862434030	PRFDCLNHRQYPHW-UHFFFAOYSA-N	362.437	2.242	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CCO[C@@]3(CCOC3)C2)c1O	768906269	RPGXZRQUXGQRFL-FQEVSTJZSA-N	357.406	2.323	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c1O	879930848	IDSNKASTNCPLAP-WCQYABFASA-N	357.859	2.115	10	10	FECE	
CCc1onc(C)c1C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	772507951	FKHCWVUZDKRXHG-UHFFFAOYSA-N	372.469	2.106	10	10	FECE	
C[C@@H](NCCC1CS(=O)(=O)C1)c1cc(Br)c(F)cc1O	786951659	UBDMHVFUIUZLIA-MRVPVSSYSA-N	366.252	2.379	10	10	FECE	
O=C(NCC[C@H]1CCCO1)C(=O)N(Cc1ccco1)Cc1ccccc1O	786597380	GUDHPRPDAUGGNU-MRXNPFEDSA-N	372.421	2.199	10	10	FECE	
COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(O)c(OC)c1	797820335	SARNFBMZOVVTHB-UHFFFAOYSA-N	357.409	2.358	10	10	FECE	
CC1(F)CN(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1	792156011	DSUKJOIFSZXREK-UHFFFAOYSA-N	360.477	2.472	10	10	FECE	
Cn1nccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1O	2124155523	PFWZCQXOAUTHCO-OAHLLOKOSA-N	360.414	2.008	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(C(=O)NCC3(CN=[N+]=[N-])CC3)(CO1)C2	2124534341	SAORALDBJAEEFJ-UHFFFAOYSA-N	365.434	2.267	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(OC)n3)C2)cc1	1327703995	WCBIYPSEDSGNDO-HNNXBMFYSA-N	356.426	2.177	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2CC[C@H](O)[C@H](O)CC2)c1	1347836931	USGJCJMYDWSZAV-VJDPLVQDSA-N	370.449	2.301	10	10	FECE	
COc1ccc(CNC[C@@]2(C)CCN(C(=O)[C@@]34COC[C@@H]3C4)C2)cc1C	1278498713	PPEFNVAIVJBSKR-WMQCIHAUSA-N	358.482	2.368	10	10	FECE	
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCc2cccc(O)c2O)cc1	1352658428	VDTMXKWUDJTOSA-INIZCTEOSA-N	354.406	2.214	10	10	FECE	
CN1C(=O)[C@H](O)c2ccc(N(Cc3ccccc3)[C@H](CO)C3CC3)cc21	1915281160	KBUVDATWMACNAY-WOJBJXKFSA-N	352.434	2.474	10	10	FECE	
CNC(=O)c1cc(OC)ccc1NC(=O)c1ccc(N=NC(N)=O)cc1	1611129929	UHFLPVBCKFFPEX-UHFFFAOYSA-N	355.354	2.470	10	10	FECE	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccnc1OCCO	1629136776	LTJRAUYCCODDKF-UHFFFAOYSA-N	357.193	2.395	10	10	FECE	
O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCc1ccc(O)cc1O	1557084728	MDMNUAXSUSQYBJ-UHFFFAOYSA-N	357.362	2.148	10	10	FECE	
CC(C)C[C@@H](CO)N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1565452657	IRTZWORUWCGYKV-OALUTQOASA-N	364.534	2.404	10	10	FECE	
C[C@@H]1[C@@H](C(=O)NCc2cc(O)ccc2O)CCN1C(=O)OC(C)(C)C	1644753858	LHRAGAVPHVKGBP-RISCZKNCSA-N	350.415	2.360	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)c3ccnc4[nH]cnc34)CC2)cc1	1596732415	ACLHXUSXQJGPLV-UHFFFAOYSA-N	351.410	2.319	10	10	FECE	
COc1cc([C@H]2c3cc(O)c(O)cc3C(=O)CN2C)cc(OC)c1OC	24219166	SHFRVRFNJKKHIO-SFHVURJKSA-N	359.378	2.341	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)N3CCC[C@H](N=[N+]=[N-])C3)O2)C1	2140445965	OZUKNAYXVAOPEL-QWHCGFSZSA-N	365.434	2.456	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(CC(=O)C(=O)C[C@H]2C[C@H](N)C2)CCSC1	2003169424	KKVXKCRCDBJAAH-PRXAMGSTSA-N	356.488	2.043	10	10	FECE	
CN[C@H](C)c1ccc(N(C)[C@@H]2CCS(=O)(=O)C2)cc1Br	300520656	VYOZRRLXHYFPHZ-ZYHUDNBSSA-N	361.305	2.353	10	10	FECE	
CCN(c1ccc([C@@H](C)N)cc1Br)[C@H]1CCS(=O)(=O)C1	387327943	CPXCJWJAVRBQJA-PWSUYJOCSA-N	361.305	2.482	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NCc1ccc(N2CCOCC2)cc1	2182063454	FGTIIDBSQFDETN-REPLKXPHSA-N	373.497	2.478	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)CC1(C)C	2054397533	IWAPJTBRBSXZQW-CQSZACIVSA-N	350.415	2.473	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)N(C)CCCN=[N+]=[N-])CN(C(=O)OC(C)(C)C)C1	2060634251	XFICDKPMMHTIQF-QWHCGFSZSA-N	355.439	2.417	10	10	FECE	
CN1CCc2cc([C@H](N)[C@@H](O)C3(N(C)C(=O)OC(C)(C)C)CC3)ccc21	2107750035	UOVINXMUYMALOD-DLBZAZTESA-N	361.486	2.439	10	10	FECE	
CN[C@H](c1ccccc1O)[C@@]1(COC)CN(C(=O)OC(C)(C)C)CCO1	2090047583	LXAQYQKXQHREGB-APWZRJJASA-N	366.458	2.305	10	10	FECE	
COc1ccc(Br)c(CN(CCSC)CC(=O)O)c1O	2236043865	MXPDRVAKXXODBL-UHFFFAOYSA-N	364.261	2.413	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2253543046	BUGMRDHRBWWNOS-AVGNSLFASA-N	353.423	2.048	10	10	FECE	
COc1ccc(N2CC(O)(CNC(=O)OC(C)(C)C)C2)c(OC)c1C	2263595031	ICSCEQVKTPKRSB-UHFFFAOYSA-N	352.431	2.088	10	10	FECE	
CN1CCc2cc([C@H](N)C3(O)[C@H]4C[C@H]3CN(C(=O)OC(C)(C)C)C4)ccc21	2286195589	PVKVUQLYWCGPGE-BQFCYCMXSA-N	373.497	2.297	10	10	FECE	
COc1ccc(C=C2C(=O)N(C)C(=O)N(c3ccccc3)C2=O)cc1O	2297314397	MWEPPZIHWHJHRZ-UHFFFAOYSA-N	352.346	2.409	10	10	FECE	
CCCC[C@H](NC(=O)C=Cc1ccc(N2CCOCC2)cc1)C(=O)OC	2308903340	ZOUQSSOCVLJILE-SFHVURJKSA-N	360.454	2.384	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)c1cn(C)c(CNC(=O)OC(C)(C)C)n1	2315986344	CEWCOEISLABLCE-UHFFFAOYSA-N	351.411	2.217	10	10	FECE	
CC1=NN(c2ccc3nncn3n2)C(=O)/C1=C\Nc1c(F)cccc1F	36358128	GXXZAAUWDPFKSD-YFHOEESVSA-N	355.308	2.121	10	10	FECE	
C[C@@H](CCS(C)(=O)=O)N[C@@H](C)c1ccc(N2CCC(O)CC2)cc1	127131424	VLFDMDJSNOCOIK-GJZGRUSLSA-N	354.516	2.122	10	10	FECE	
COc1ccc(C(=O)NCC(=O)NCc2c(O)ccc3c2CCCC3)cc1	75159632	IXNRAQADUYOBKA-UHFFFAOYSA-N	368.433	2.326	10	10	FECE	
Cc1cc(/C=C/C(=O)N2CC[C@H](CO)[C@@H](O)C2)c(C)n1-c1ccccc1	192667706	OSPKYUIGDQBLHP-ZZHWGSSASA-N	354.450	2.309	10	10	FECE	
C[C@H](CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1)Cn1ccnc1	255920810	HPSWBCCNZFLXSL-DANOYGIBSA-N	354.454	2.185	10	10	FECE	
CN(C)c1ccc(C=c2sc3nc4nc5ccccc5c4nn3c2=O)cc1	254319272	XASUWSPUNHIFLV-UHFFFAOYSA-N	373.441	2.466	10	10	FECE	
COc1ccc(N2CCCN(C(=O)[C@@H]3CCCC34OCCO4)CC2)cc1	376610282	MFVSVFYOCRHIKN-SFHVURJKSA-N	360.454	2.277	10	10	FECE	
C[C@@H](C[C@H]1COCCN1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	817916197	CQNMIZSCCFTYOW-RXVVDRJESA-N	372.557	2.075	10	10	FECE	
C[C@H](NC(=O)N1CC[C@@H](Nc2ncccn2)C1)c1ccc(N(C)C)cc1	826532874	YSCXOJGDXVLBEA-GOEBONIOSA-N	354.458	2.500	10	10	FECE	
O=[N+]([O-])c1cc(Cl)cc(CN2CCS(=O)(=O)[C@@H]3CCC[C@H]32)c1O	825202887	WKNKBZWRDCSZRN-DGCLKSJQSA-N	360.819	2.105	10	10	FECE	
C[C@@H](C(=O)NC1CCCC1)N1CCN(Cc2cc3c(cc2O)CCC3)CC1	728906176	RKZKEMHCRZWRMU-INIZCTEOSA-N	371.525	2.446	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(-c2cc[nH]n2)n1C[C@@H]1CCCO1	829598379	BRGHBFNOTNQOAI-AWEZNQCLSA-N	354.414	2.189	10	10	FECE	
COc1cccc(N2C[C@H](NCc3cc([N+](=O)[O-])ccc3O)CC2=O)c1	725852982	MFSASAKDILLRTM-CYBMUJFWSA-N	357.366	2.204	10	10	FECE	
CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCc1c(O)ccc2c1CCCC2	830597570	OVUGUOCNIRIZQW-CDXJDZJCSA-N	358.482	2.420	10	10	FECE	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CCCSCC1	838746517	JHXSNHNNSCQAAN-UHFFFAOYSA-N	371.453	2.450	10	10	FECE	
CCc1onc(C)c1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	749229290	IBLMPHXUKYGYEB-UHFFFAOYSA-N	359.426	2.427	10	10	FECE	
COCCCOC1CN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1	840481198	GXIRIJMJZXLGCI-INIZCTEOSA-N	363.502	2.439	10	10	FECE	
O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1	926668726	KNWMFBMZTOVBJB-CDMKHQONSA-N	361.225	2.302	10	10	FECE	
O=C(Cn1cc(C(=O)NCc2c(O)cccc2F)cn1)NC1CCCCC1	928705293	IXGSSTYECQMZNP-UHFFFAOYSA-N	374.416	2.107	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CO[C@@H](C2CC2)C1	858154877	USRDGZVPIHNWGU-MAUKXSAKSA-N	363.433	2.029	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CN3CCCCC3)C2)cc1	852181167	CVFYDCGTKMMBSF-IRXDYDNUSA-N	360.502	2.448	10	10	FECE	
Nc1ccc(Cc2nc(C(=O)N3CCC4=C(CCC(=O)N4)C3)cs2)cc1	852837855	PYZKHHVZVQOAAL-UHFFFAOYSA-N	368.462	2.326	10	10	FECE	
C[C@H](NC(=O)N[C@H]1C[C@H](O)C12CCC2)c1ccc(N2CCOCC2)cc1	853487369	NQYFYVSIRUTNIU-WBAXXEDZSA-N	359.470	2.187	10	10	FECE	
CO[C@@](C)(CO)CNC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1	862139853	NJLXROREXIRZPW-HXUWFJFHSA-N	358.438	2.342	10	10	FECE	
COc1cccc([C@@H](C)NCc2ccc(CN3C(=O)CNC3=O)cc2)c1O	866524526	FXMPTCRLCQFYMD-CYBMUJFWSA-N	369.421	2.303	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)Cc3cnn4c3CCCC4)C2)cc1	868955675	OANZEPLCGLPAGN-MRXNPFEDSA-N	368.481	2.413	10	10	FECE	
O=C1C[C@@H](c2cccc(NC(=O)NCCc3ccc(O)c(O)c3)c2)CN1	772469216	GHLNYROQQOWCIL-CQSZACIVSA-N	355.394	2.066	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCC[C@H](N3CCNC3=O)C2)c1	781902234	OXSXSQNSTYCRJZ-ZDUSSCGKSA-N	368.275	2.453	10	10	FECE	
COC(=O)[C@H](O)C1CCN(Cc2cc(C)cc(Br)c2O)CC1	781906673	AHBZVZFCHVVWIX-OAHLLOKOSA-N	372.259	2.209	10	10	FECE	
C[C@@H](C(=O)NCc1cccc(O)c1O)C1CN(C(=O)OC(C)(C)C)C1	1123888695	JQJXTZLLJGZBFV-LLVKDONJSA-N	350.415	2.217	10	10	FECE	
CO[C@@](C)(CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1	1564823240	ZDMAGLKPSBSJEJ-ICSRJNTNSA-N	362.518	2.470	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(Cn2cnnc2)CC1	898277998	ZUJBRASRYXGUTH-UHFFFAOYSA-N	358.423	2.456	10	10	FECE	
O=C(COC(=O)c1cnn(-c2cccc(Cl)c2)n1)c1ccc(O)c(O)c1	784569173	ASLDPUKAPKYDAY-UHFFFAOYSA-N	373.752	2.372	10	10	FECE	
O=C(NCc1ccc(-n2cncn2)nc1)c1cc2cc(O)c(O)cc2s1	1136219838	FANMYCZMANZZLF-UHFFFAOYSA-N	367.390	2.218	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cnn(-c2ccncc2)c1	797630038	FPZVUNXCBOIMQR-GFCCVEGCSA-N	353.382	2.431	10	10	FECE	
NC(=O)c1ccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cn1	1141723021	MEQOWJAKQZKHIU-UHFFFAOYSA-N	358.361	2.143	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1	1303225943	TZUFFARSABPUGG-UHFFFAOYSA-N	354.322	2.122	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCc3ccnc(N)c3C2)c([N+](=O)[O-])c1	1307230706	VSTWZXDAUZAMTR-HWKANZROSA-N	354.366	2.321	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC(OC)(C(F)(F)F)C3)C2)cc1	1312995106	SFUXQKBJFJKEOE-GFCCVEGCSA-N	373.375	2.247	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2124531505	DOKYLBJHAVTTLV-XNJGSVPQSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1CC(=O)N1CC[C@H](CN=[N+]=[N-])C1	2124509962	ZNMXGBOVTBDQEJ-MGPQQGTHSA-N	367.450	2.465	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)NCCC3CC=CC3)CC2)cc1	1334735932	LVENXCRLMYOLKQ-UHFFFAOYSA-N	371.481	2.253	10	10	FECE	
CNc1cc(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccn1	1346256072	MNWVYDVEEMKMTQ-UHFFFAOYSA-N	373.432	2.098	10	10	FECE	
CC(C)OC1(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCC1	1262110643	JVLRZGNNWPCJGM-UHFFFAOYSA-N	373.497	2.352	10	10	FECE	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@@]1(CO)COCC2(CCC2)N1C	1348111017	QRJOETAFBJPJLA-VWKPWSFCSA-N	360.498	2.454	10	10	FECE	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(CO)nc2)cc1	1442610356	GWIJQMPJOHBVFD-HXUWFJFHSA-N	369.465	2.461	10	10	FECE	
CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)NCc1cccc(O)c1O	1471643847	KVWPGUXWANVQKR-QGZVFWFLSA-N	371.437	2.238	10	10	FECE	
COc1ccc(N2CCCN(C(=O)NCCN3CC[C@H](C)C3)CC2)cc1	1565427933	SKOVILLHVWMJSC-KRWDZBQOSA-N	360.502	2.259	10	10	FECE	
C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1O	1642831263	VENBTKAMZPRPPL-WCQYABFASA-N	373.365	2.375	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)NCc2cc(O)ccc2O)[C@H]2C[C@H]21	1593882575	ZCNRQYNLRQKZQL-LJISPDSOSA-N	362.426	2.263	10	10	FECE	
C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)NCc1c(O)cccc1F	1685751351	GJINCGXOMFGPJS-LBPRGKRZSA-N	370.384	2.129	10	10	FECE	
COc1ccc(/C=C2/SC(=S)N(CCN(C)C)C2=O)cc1OC	1858595601	DTACGZIJHWTYRK-GXDHUFHOSA-N	352.481	2.467	10	10	FECE	
O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(F)cc2F)SC1=S	1858596256	QXWVENMYTCFSSH-QKWZMYFISA-N	373.358	2.094	10	10	FECE	
C[C@@H](NC(=O)[C@]1(CO)CCCN1C(=O)OC(C)(C)C)c1ccccc1O	1877573443	KXCXSZVMGZSSDE-BFUOFWGJSA-N	364.442	2.331	10	10	FECE	
CCS(=O)(=O)[C@@H]1CCN(c2ccc([C@H](C)N)cc2Br)C1	2179894255	PTYJNTWPJYCQRV-CMPLNLGQSA-N	361.305	2.482	10	10	FECE	
Nc1ccc(OC[C@@H](O)CN2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1	705883281	YPBRREHMKWRWFP-ZVDOUQERSA-N	367.493	2.072	10	10	FECE	
COC[C@H](O)CN(C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2	388689679	RZPOQPPTFHLTLJ-CYBMUJFWSA-N	365.474	2.006	10	10	FECE	
COC[C@]1(C(=O)NCc2ccccc2O)CCCN1C(=O)OC(C)(C)C	830526983	UOBTWLAVZNLUHZ-IBGZPJMESA-N	364.442	2.425	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)Nc1ccc(N)cc1	2044246415	VDQVWRROQONHND-CQSZACIVSA-N	350.419	2.026	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2ccc(O)c(O)c2)C1	2054420202	PRVRJGPNFCEBGN-LBPRGKRZSA-N	350.415	2.475	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COC[C@@]1(C)C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060633816	RUESYGCSIFROLH-BFQNTYOBSA-N	353.423	2.218	10	10	FECE	
COc1c(I)ncnc1OCc1ccc(N)cc1	2064977114	GSTWSQYDCUSWOM-UHFFFAOYSA-N	357.151	2.251	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CCNC(=O)CCOc2ccc(N)cc2)C1	2106257583	LRWMBDGAWHIRSY-UHFFFAOYSA-N	363.458	2.411	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)COc2ccc(N)cc2)C1	2106779692	QNUZPLLSJCCNEO-KBPBESRZSA-N	363.458	2.409	10	10	FECE	
COC(=O)[C@H](CCN[C@H](C)c1c(O)cccc1O)NC(=O)OC(C)(C)C	2088543451	RJXJMPFZWSJALL-NEPJUHHUSA-N	368.430	2.205	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-])[C@H]1CCOC1	2259903828	YDZKAJREOHBNDP-YNEHKIRRSA-N	353.423	2.360	10	10	FECE	
CNC(=O)c1cncc(C=CC(=O)N(CC(F)(F)F)c2ccccn2)c1	2297521057	IBJMISCZWWJFSM-UHFFFAOYSA-N	364.327	2.445	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N1CCC[C@H]1Cn1ccnc1	2297805087	GSRSEUVOEVMGJU-FQEVSTJZSA-N	366.465	2.424	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H]2C[C@H]2c2ccccc2)c1	111646886	YVWDWYSZRMTEJL-HIFRSBDPSA-N	360.435	2.297	10	10	FECE	
Cc1ccc(C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c(O)c1O	177680061	SWPILIGBYUGPLD-HUUCEWRRSA-N	362.470	2.368	10	10	FECE	
COc1ccc(O)c([C@H](C)Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])c1	301214323	WVCSHDZVEPQICN-JTQLQIEISA-N	356.338	2.490	10	10	FECE	
C[C@H](N[C@H](C)c1ccc(N2CCC(O)CC2)cc1)c1nnnn1C1CC1	189139109	OWJSWEZZBFPPSR-KGLIPLIRSA-N	356.474	2.381	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C[C@H](N)C(C)(C)O	1951991925	CXOSWYYLMJSWAT-WFASDCNBSA-N	354.447	2.022	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@H]1C(=O)N1CCc2cc(O)c(O)cc2C1	2366907554	HDSPREJMEHLLLB-VBQJREDUSA-N	374.437	2.238	10	10	FECE	
NC(=O)N1CCC(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	130062173	ICINDZQDNWUPOV-CQSZACIVSA-N	368.428	2.390	10	10	FECE	
CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(N(C)C)c(F)c1	87252915	CYUBEHVKSRNIPD-CQSZACIVSA-N	360.437	2.380	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)c3cccn(C)c3=O)cc2F)C[C@@H](C)O1	264113824	PIJSONCZSKMXJQ-ZIAGYGMSSA-N	373.428	2.068	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCO[C@]2(CCCOC2)C1	287618016	ZYHQGANECHXDPP-HXUWFJFHSA-N	357.454	2.154	10	10	FECE	
CN(C)c1ccc(CNC(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)cc1	282673711	CNBRXVBYWKXLDI-AEFFLSMTSA-N	361.486	2.120	10	10	FECE	
CCn1ccnc1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	298113260	MZUWDPKXEARYDO-INIZCTEOSA-N	358.442	2.499	10	10	FECE	
CC(C)[C@H](C)CNC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	807271719	KLYFEADSNVNQJE-NVXWUHKLSA-N	362.470	2.308	10	10	FECE	
COC(=O)[C@@H]1C[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	728839031	VBVKIQUBEGECAB-UONOGXRCSA-N	358.360	2.453	10	10	FECE	
C[C@H](NCc1cc2c(cc1O)OCO2)c1cccc(NS(C)(=O)=O)c1	725849773	XJTKFEAYGXXFJZ-NSHDSACASA-N	364.423	2.343	10	10	FECE	
Cc1cc(CC(=O)N[C@H](C)CN2CCN(C)CC2)c(C)n1-c1ccccc1	826711970	CNPPMJNFDGXEGI-QGZVFWFLSA-N	368.525	2.389	10	10	FECE	
CO[C@H](CS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CC1	827019452	SPOZZZILNTXXDI-GOSISDBHSA-N	352.500	2.472	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N[C@H]2CCc3nnn(C)c3C2)cc1	914255096	XOOZWHUEXQCXSF-HNNXBMFYSA-N	356.474	2.018	10	10	FECE	
C[C@H](N)c1ccc(CNC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1	842268464	RUQMGTLZZQHRFB-HNNXBMFYSA-N	368.481	2.047	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(c2nncn2C)CC1	848305337	KWMHVKPPZRLYSM-UHFFFAOYSA-N	370.482	2.247	10	10	FECE	
COc1ccc(N2CCN(CCCNc3ncnc(C)c3OC)CC2)cc1	848642865	CRZLQQJMWXOASR-UHFFFAOYSA-N	371.485	2.426	10	10	FECE	
COc1ccc(N2CC[C@@H](N3C(=O)N[C@H](CC4CCOCC4)C3=O)C2)cc1	924977074	FVESFJQEAYSWIB-SJLPKXTDSA-N	373.453	2.011	10	10	FECE	
COc1ccc(N2CCN(CCN[C@@H]3CCCc4c[nH]nc43)CC2)cc1	857849119	GEADKANXAQTHBP-LJQANCHMSA-N	355.486	2.208	10	10	FECE	
O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CCN1C1CCOCC1	927633590	ODAJRYLYZFLHGT-OAHLLOKOSA-N	353.850	2.098	10	10	FECE	
Cc1cn(C)nc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1	850422949	JBUFONAPNRPUHL-UHFFFAOYSA-N	355.442	2.473	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Cc3ccc4c(c3)NC(=O)C4)C2)cc1	855226303	NPWAWMBWCRNZCT-MRXNPFEDSA-N	365.433	2.127	10	10	FECE	
C[C@H](NC(=O)N1C[C@H]2CC[C@H]1[C@H](CO)C2)c1ccc(N2CCOCC2)cc1	852012980	QQCFIJSQYOGXNM-DUPRYPCISA-N	373.497	2.387	10	10	FECE	
CCc1cc(CC(=O)N2CCCN(c3ccc(OC)cc3)CC2)n(C)n1	930309196	HGLCAJRZJUYPCS-UHFFFAOYSA-N	356.470	2.273	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)NC[C@@H](O)[C@H]3CCCO3)c2C)cc1	862652308	WVEFQNSJCOXADW-RTBURBONSA-N	358.438	2.372	10	10	FECE	
COC(=O)/C=C/c1ccc(N(C)CC(C)(C)S(C)(=O)=O)c([N+](=O)[O-])c1	764176058	QIVMKVAUAGQVFF-VQHVLOKHSA-N	370.427	2.040	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1cccnc1O	768912340	WZNSTNOCONRVOP-UHFFFAOYSA-N	366.465	2.249	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@]3(C2)CC3(F)F)cc1	1118348946	BXTBWSYANCBHNC-SFHVURJKSA-N	365.424	2.407	10	10	FECE	
COCCO[C@@H]1COCC[C@H]1NCc1cc(C)cc(Br)c1O	776812542	KAQXQSMHCNWGKK-HUUCEWRRSA-N	374.275	2.373	10	10	FECE	
Cc1oc(S(C)(=O)=O)cc1C(=O)Nc1c(Cl)ccc2nonc12	1128704536	OLIQFUVEYRGBFD-UHFFFAOYSA-N	355.759	2.433	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)NCCC3(C)CC3)CC2)cc1	792056481	FMMKSRHRNPEPCG-UHFFFAOYSA-N	360.502	2.307	10	10	FECE	
COC(=O)c1cc2c(cc1F)NC(=O)/C2=C/C1=S=CC(n2ccnc2)=C1	794744175	VQHRDDAZBOPHTL-WLRTZDKTSA-N	369.377	2.407	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)CN(C)CCNC(=O)OC(C)(C)C	2124223769	UZLBSQRJSATTHS-AWEZNQCLSA-N	365.474	2.368	10	10	FECE	
CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2124517723	ONSCJGNGLXDKRY-MELADBBJSA-N	367.450	2.417	10	10	FECE	
Cn1nccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2124516932	WZTGLDNKYZUYSX-WCQYABFASA-N	363.422	2.145	10	10	FECE	
CC[C@H](C)[C@](C)(O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1256232426	OTCGXHFJSCPRJT-QKYXUNIQSA-N	364.534	2.452	10	10	FECE	
Cc1ccc(CN2C[C@@H](C(=O)NCc3cccc(O)c3O)CC2=O)cc1	1350300703	WYGLHYXBNQQFTO-INIZCTEOSA-N	354.406	2.071	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C1SCCS1	1446816781	QTRDEDRACPDHHY-UHFFFAOYSA-N	361.872	2.353	10	10	FECE	
COC(=O)CCCOc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1	1444168606	GRTSRGBKIDBPTP-UHFFFAOYSA-N	373.405	2.289	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc(NC(C)=O)cn3)CC2)cc1F	1465930279	LKIYDBRQXPKNCR-UHFFFAOYSA-N	372.400	2.150	10	10	FECE	
C[C@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C[C@H](C)S1	1479185841	VGHGALZQNZAOJB-HOTGVXAUSA-N	362.543	2.474	10	10	FECE	
CON(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N(C)C)cc1C	1620121647	SHGBEXFKOZAUDV-UHFFFAOYSA-N	355.446	2.099	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(O)c(O)c2O)C12CC2	1925567369	BSSDQAKLVNDESE-ZDUSSCGKSA-N	350.415	2.435	10	10	FECE	
O=C(CCCOc1ccc2c(c1)CCC(=O)N2)NCc1ccc(O)cc1O	1630302354	YWEFBDYKVLOAJA-UHFFFAOYSA-N	370.405	2.458	10	10	FECE	
CC(=O)c1ccc(N2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)c(F)c1	1587408339	MIYHOCCUIATQJP-UHFFFAOYSA-N	372.396	2.331	10	10	FECE	
CCc1nn(C)c(OC)c1Cn1c(C)nnc1N(C)Cc1ccccc1O	1762811152	QIXBAJISJMUCBG-UHFFFAOYSA-N	370.457	2.281	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CC[C@H](C(=O)N3CCCC3)C2)c([N+](=O)[O-])c1	1773122238	XZJMNVFTQCJSQK-PKYBCLHXSA-N	373.409	2.230	10	10	FECE	
CCCCOc1nonc1C(=O)N1CCN(c2ccc(OC)cc2)CC1	1872675960	LMKUOUKZFLTIHC-UHFFFAOYSA-N	360.414	2.220	10	10	FECE	
CCNC(=O)NCCNCc1cc(Cl)cc(Br)c1O	708110303	BBFZCQQLWAJFQV-UHFFFAOYSA-N	350.644	2.217	10	10	FECE	
[N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)N2CC(OCc3ccccc3)C2)CC1	2043674553	YVMNOUYFDSIXBQ-OAHLLOKOSA-N	365.459	2.297	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NCc1ccc(F)c(F)c1O	2058689603	ZKIPPZPKIRECGI-QWHCGFSZSA-N	358.385	2.394	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)N1CC[C@@H](N=[N+]=[N-])C1	2060610991	OBWYREISNQGKHN-FRRDWIJNSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)CCCO1	2060636045	STCNNMGKOKHVAW-LRDDRELGSA-N	353.423	2.362	10	10	FECE	
Cc1ccc(O)c(CNCCOCCOCCNC(=O)OC(C)(C)C)c1	2225559145	LOSLIWIOIUGLCI-UHFFFAOYSA-N	368.474	2.348	10	10	FECE	
O=C(NN1C(=O)C(=Cc2ccc(O)cc2)SC1=S)c1ccncc1	2296701047	FELQHSPQNOADJS-UHFFFAOYSA-N	357.416	2.333	10	10	FECE	
Cn1cc(NC(=O)C=Cc2ccc(O)c(O)c2)cc(Br)c1=O	2307989604	FIWNHWNFUYBNJF-UHFFFAOYSA-N	365.183	2.211	10	10	FECE	
CC[C@@H](Oc1ccc(C=C2SC(=S)N(CCO)C2=O)cc1)C(=O)O	2314929629	PHQVOCLZOBMHRN-GFCCVEGCSA-N	367.448	2.122	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnc(N)c(Cl)c3)CC2)cc1F	177275246	RFEXORNBSMTWAB-UHFFFAOYSA-N	364.808	2.427	10	10	FECE	
COc1ccc([C@@H]2CC(=O)NC(NC(=O)c3cccc(N(C)C)c3)=N2)cc1	20924734	JAZFTFPOCVJKGS-KRWDZBQOSA-N	366.421	2.108	10	10	FECE	
CC1CCN(C(=O)CSc2nc(-c3ccco3)nc3cc(=O)[nH]n23)CC1	21537322	UQLHWQRYHYZSKR-UHFFFAOYSA-N	373.438	2.028	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]21	187914246	HBRGXCUCLHRQMB-QRVBRYPASA-N	359.470	2.232	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccnc(NC4CC4)n3)CC2)cc1	242646703	CQOXQMGZIWKJBB-UHFFFAOYSA-N	353.426	2.022	10	10	FECE	
Cc1cc(-c2nc(-c3nc[nH]n3)no2)ccc1NC(=O)C1=S=CC=C1	349650477	NSUWQIYLOWIFTJ-UHFFFAOYSA-N	352.379	2.046	10	10	FECE	
COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1Cc1cc(Cl)cc(C)c1O	272536327	OGAXXDNICMQTON-RISCZKNCSA-N	355.818	2.281	10	10	FECE	
COc1cc(N2CCN(C(=O)c3cccc(O)c3)CC2)cc(OC)c1OC	274190476	KRHYVCXAECTMHS-UHFFFAOYSA-N	372.421	2.380	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CN(c2cc3c(cc2N)OCC(=O)N3)CC12CC2	2163082715	IDDKTRDGBHKTLH-OAHLLOKOSA-N	374.441	2.093	10	10	FECE	
COC(=O)CC[C@@H]1CC[C@H](C(=O)N[C@@H](C)c2cc(OC)ccc2O)O1	821066436	YEJQOLBOTHESGV-MQIPJXDCSA-N	351.399	2.079	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](CO)[C@@H](O)c1cccnc1	913568648	XOPPPBFYYVVROW-WBVHZDCISA-N	371.462	2.375	10	10	FECE	
CCCNC(=O)CN1CCC(NC/C=C\c2ccc(N(C)C)cc2)CC1	835035548	JDXDCMJOBNQFEM-WAYWQWQTSA-N	358.530	2.346	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)NCC[C@H]3CNC(=O)C3)cc2)CC1	917523633	QFDXLFOYOHJFPT-QGZVFWFLSA-N	358.486	2.248	10	10	FECE	
COC(=O)c1cnc(CNC(=O)NCc2ccc(N(C)C)c(F)c2)s1	915366216	MXGOFTIIDSEPNQ-UHFFFAOYSA-N	366.418	2.134	10	10	FECE	
Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)C(=O)NCCc1ccc(N)cc1	842188257	JNLOFQVNVODMCP-ZDUSSCGKSA-N	371.485	2.065	10	10	FECE	
CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)NCc1ccc2c(c1)CCCN2C	840275989	VALNUTZMGSSIND-KRWDZBQOSA-N	358.486	2.268	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCN2C(=O)OCC[C@H]2C1	840481899	PQYVLTCHPKHLBN-YJBOKZPZSA-N	374.485	2.228	10	10	FECE	
COC(=O)c1ccc(CNC(=O)NCCc2ccc(N)cc2)nc1C1CC1	841960822	XQSAGLAWWNGOGT-UHFFFAOYSA-N	368.437	2.370	10	10	FECE	
Cc1cc(C(=O)N2CCC[C@@H]3CCNC(=O)[C@H]32)c(C)n1-c1ccccn1	922463708	SYQIALGOQPHAHP-QAPCUYQASA-N	352.438	2.230	10	10	FECE	
Cc1cc(C(=O)N[C@@H](C)CN(C)CCCN(C)C)c(C)n1-c1ccccn1	855346232	SMMQEVRNSMQMJB-INIZCTEOSA-N	371.529	2.491	10	10	FECE	
CNC(=O)Nc1cccc(NS(=O)(=O)c2cc(F)cc(F)c2O)c1	753018496	NLYCIWIVDHVURI-UHFFFAOYSA-N	357.338	2.223	10	10	FECE	
CCO[C@H](C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1CCOC1	865019396	SJWHHILPCMNHDD-SUMDDJOVSA-N	362.470	2.142	10	10	FECE	
Cn1cc(NC(=O)NCc2cccc(Br)c2O)ccc1=O	765260863	XAWULQQOUMVCBR-UHFFFAOYSA-N	352.188	2.175	10	10	FECE	
Cc1cc(C(=O)N2CCC[C@H](c3nc(O)n[nH]3)C2)c(C)n1-c1ccccn1	773651632	SZROKZQNJPOSOY-AWEZNQCLSA-N	366.425	2.333	10	10	FECE	
O=C(COC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2)c1ccc(O)c(O)c1	783861862	NRTVPZSXSXUTOA-KBPBESRZSA-N	370.357	2.399	10	10	FECE	
COC(=O)[C@@H]1[C@H](CN(Cc2ccccc2O)C[C@H]2CCCO2)C1(F)F	893879796	JKGFMNOHPDZXPP-YCPHGPKFSA-N	355.381	2.428	10	10	FECE	
COCCN1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1	896626565	ZYJKGKRPBKADCD-UHFFFAOYSA-N	350.440	2.107	10	10	FECE	
O=C(O)[C@@H]1CC[C@H](C(=O)NCc2ccccc2O)N1Cc1ccccc1	688953949	HYGKHMYWPAWXCR-SJORKVTESA-N	354.406	2.126	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)c3ccncc3NC(C)=O)CC2)cc1	1151503393	SJGHEISAKWMXKI-UHFFFAOYSA-N	368.437	2.401	10	10	FECE	
Cn1nc(CNC(=O)OC(C)(C)C)cc1C(=O)NCC1(CN=[N+]=[N-])CC1	2124505341	KLHJOWBCHMOJDK-UHFFFAOYSA-N	363.422	2.265	10	10	FECE	
Cc1cc(CNC(=O)c2coc(S(N)(=O)=O)c2)c(C)n1-c1ccccc1	1170859937	YZYRWMAEUFOEJM-UHFFFAOYSA-N	373.434	2.265	10	10	FECE	
CC(C)N1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1	1251500481	FMYANNWCAGYJEJ-LJQANCHMSA-N	361.534	2.091	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCOc1ccc(N)cc1	2130962831	YSUQWGYCEBGEIK-GJZGRUSLSA-N	361.442	2.258	10	10	FECE	
CC(C)(C)OC(=O)NC1(CCCNC(=O)c2cc(O)c(O)c(O)c2)CC1	2132412596	FQJJRDKZRSPGTD-UHFFFAOYSA-N	366.414	2.371	10	10	FECE	
CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(O)c(O)c3)cc2)CC1	1543803478	SFXXHRMUMUYBAP-UHFFFAOYSA-N	369.465	2.417	10	10	FECE	
CC[C@@H]1CN([C@H](CC)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CCO1	1624954635	KEZBCCMKZFWPFJ-NUEKZKHPSA-N	350.459	2.034	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)CN(C)[C@@H]2CCC[C@H]2O)cc1F	1627604776	RTYONQHTOIUUNP-QZTJIDSGSA-N	351.466	2.133	10	10	FECE	
CCc1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1CC1(O)CC1	1499100118	MLRUZOFDAMSETA-UHFFFAOYSA-N	371.485	2.091	10	10	FECE	
Cn1cc(CNc2ccc(C(=O)NCc3c(O)cccc3O)cc2)cn1	1635847715	SGEJTBBHIBASDJ-UHFFFAOYSA-N	352.394	2.373	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1ccc(CN2CCC(O)CC2)cc1	1633184015	CZLKPEXPCAODCP-UHFFFAOYSA-N	356.422	2.236	10	10	FECE	
O=C(Cc1ccc(NC(=O)C(F)(F)F)cc1)NCc1ccc(O)c(O)c1	1635960144	YEAFBUYSSRMNPS-UHFFFAOYSA-N	368.311	2.458	10	10	FECE	
Cc1cc(C(=O)Cn2nnn(C)c2=O)c(C)n1-c1ccc(F)c(Cl)c1	1644098346	PAFOLTUFIYFDRT-UHFFFAOYSA-N	363.780	2.060	10	10	FECE	
COc1ccc(Cn2c(C)nnc2N(C)Cc2ccccc2O)c(OC)n1	1770201290	UFZAFHUHZFVKKS-UHFFFAOYSA-N	369.425	2.389	10	10	FECE	
CN(C)CCNC(=O)c1cccc2c(N)c3ccc([N+](=O)[O-])cc3nc12	207105254	DDRZSMNHWDDVHB-UHFFFAOYSA-N	353.382	2.170	10	10	FECE	
COc1cccc(/C=C2/SC(=S)N(CCNC(C)=O)C2=O)c1OC	1858587095	NJTGEXJJFIIMSC-UKTHLTGXSA-N	366.464	2.041	10	10	FECE	
CCOc1cc(N2CCOCC2)c(OCC)cc1NN=NCC(=O)O	1860491875	XEFLBHDFONIWMW-UHFFFAOYSA-N	352.391	2.184	10	10	FECE	
COc1ccc(Br)c(CN(C)CCCS(C)(=O)=O)c1O	1964603870	CKMSXDWDCNXBTO-UHFFFAOYSA-N	366.277	2.030	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1	1964873218	FLZHSFSVLWAFMO-HOCLYGCPSA-N	364.442	2.423	10	10	FECE	
O=S1(=O)C[C@H]2CC(NCc3c(O)cccc3Br)C[C@@H]2C1	1974485338	XSDNUPLFGHOAEM-NXEZZACHSA-N	360.273	2.068	10	10	FECE	
Nc1ccc(NC(=O)CCN2CC(NC(=O)OCc3ccccc3)C2)cc1	1999440095	MSRADCODDGNZCF-UHFFFAOYSA-N	368.437	2.208	10	10	FECE	
CC(C)(C)OC(=O)N1CCS[C@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1	2010393402	RWGSSXJDSASMLV-RYUDHWBXSA-N	355.464	2.498	10	10	FECE	
CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2CC(N=[N+]=[N-])C2)C1	2010391746	AXAGTMOSPNPBJF-YJBOKZPZSA-N	373.413	2.324	10	10	FECE	
CC(C)(C)OC(=O)NCCc1nc(C(=O)N2CC(N=[N+]=[N-])C2)cs1	2010392726	IUHRVAVZCNNLGC-UHFFFAOYSA-N	352.420	2.345	10	10	FECE	
CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCCCN=[N+]=[N-]	2060617140	KGDBKQPVHWBFAU-CHWSQXEVSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060633950	UAOGTBMIGPUHGE-RWMBFGLXSA-N	353.423	2.218	10	10	FECE	
CO[C@H]1C[C@@H](C(=O)N2CCC(N=[N+]=[N-])CC2)N(C(=O)OC(C)(C)C)C1	2060610906	NCQZXRIEEHTZPB-STQMWFEESA-N	353.423	2.312	10	10	FECE	
CN(c1ccc(N)cc1)S(=O)(=O)c1cc(N)ccc1Br	2191763894	OEYMAVHHOFCFHB-UHFFFAOYSA-N	356.245	2.439	10	10	FECE	
CCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(C)c1O	2084058299	FFQQLYWXBIDTBA-CQSZACIVSA-N	352.431	2.247	10	10	FECE	
CN(Cc1nc(=NCc2ccc(F)cc2O)[nH][nH]1)C(=O)OC(C)(C)C	2084178011	XFXUFLOHXDRNQJ-UHFFFAOYSA-N	351.382	2.050	10	10	FECE	
Nc1ccc(CN2CCO[C@]3(CCCN(C(=O)C(F)(F)F)C3)C2)cc1	2106766410	PNHNZUIMMFJVSK-MRXNPFEDSA-N	357.376	2.025	10	10	FECE	
C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1CC(=O)Nc1ccc(N)cc1	2106763585	CZOCZRQUOSJRFG-ZIAGYGMSSA-N	362.474	2.442	10	10	FECE	
CC(C)(C)OC(=O)NC1(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])CCOCC1	2218743580	GIJJKCWTKBMSFU-NWDGAFQWSA-N	353.423	2.408	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(C(=O)N[C@H]3CCC[C@H]3N=[N+]=[N-])(CO1)C2	2225796115	UIYIEAYBRJEFJA-YKDGJLSTSA-N	365.434	2.408	10	10	FECE	
COC(=O)[C@@H](C)N(C(=O)C=Cc1ccc(N2CCOCC2)cc1)C1CCC1	2311651640	MQNMGKJQSUBZMI-MRXNPFEDSA-N	372.465	2.479	10	10	FECE	
CC[C@@H]1CN(C(=O)NCCCSc2nccs2)CCN1C[C@H](C)O	248489662	MYECQSCHYCFGBV-UONOGXRCSA-N	372.560	2.112	10	10	FECE	
CCN(CC(=O)Nc1nc(CC(=O)OC)cs1)c1ccc(OC)cc1	274086432	OOHMYXCICLHZIA-UHFFFAOYSA-N	363.439	2.332	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)NCc2cc(Br)ccc2O)CCN1C	805187849	YFNVQBWWTVXBHF-GWCFXTLKSA-N	356.264	2.437	10	10	FECE	
C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1ccn(-c2ccc(N)cc2)n1	2162522982	XEPYLBWWENTNGG-CYBMUJFWSA-N	373.457	2.440	10	10	FECE	
CN(C[C@H]1CC=CCC1)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C	803688171	WPFGKFPPYQACBI-INIZCTEOSA-N	355.482	2.500	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cnn(CC)n1	293348824	KSDNKJDFFWLXTQ-UHFFFAOYSA-N	353.220	2.428	10	10	FECE	
O=C(CNC(=O)c1cccnc1)NCc1cc(Cl)cc(Cl)c1O	807839454	DRQYZIJLKZRFGT-UHFFFAOYSA-N	354.193	2.140	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CCO[C@H](CC(F)(F)F)C2)c1O	827786673	KKOIABWGFINBNR-SNVBAGLBSA-N	350.293	2.462	10	10	FECE	
COc1ccc(O)c(CN[C@H]2COC3(C2)CN(C(=O)OC(C)(C)C)C3)c1	827064344	BNTPWMQBVOISQO-CQSZACIVSA-N	364.442	2.269	10	10	FECE	
c1cc(N2CCN(CC3CC3)CC2)ccc1CN[C@H]1CCO[C@@]12CCOC2	903131123	QNHUFGFXTAARRA-FCHUYYIVSA-N	371.525	2.256	10	10	FECE	
C[C@@]1(CNC(=O)NCc2cc(Br)ccc2O)CCCNC1	841972462	IETWBJJJBYOTAI-OAHLLOKOSA-N	356.264	2.344	10	10	FECE	
COC(=O)c1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1Cl	849244243	WOSQHWCFOFSQJG-UKTHLTGXSA-N	366.826	2.429	10	10	FECE	
C/C(=C/C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)CN1CCOCC1	910558173	LMGGRCKONFLJRR-XSVZSIDJSA-N	359.514	2.387	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=S)NCCc3ccccn3)C2)cc1	849270801	PJFKJZSZEQIICL-MRXNPFEDSA-N	356.495	2.376	10	10	FECE	
Fc1cc(CN[C@@H]2CCOC23CCOCC3)cc(F)c1N1CCOCC1	926559240	LJMMXMIOTNGWEV-QGZVFWFLSA-N	368.424	2.229	10	10	FECE	
CO[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[C@H]1CCOC1	857577809	DRNNQSOBFRKSBJ-FKIZINRSSA-N	365.385	2.452	10	10	FECE	
NC(=O)C1CCN(c2ccc(CN[C@@H]3CCNC34CCCC4)cc2)CC1	925778001	SLYUBWRFNNVHJO-LJQANCHMSA-N	356.514	2.153	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc4c(c3)OCC(=O)N4)C2)cc1	855229082	JZRANHDESYWMPR-AWEZNQCLSA-N	367.405	2.035	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)C2)cc1	855233069	WHQGABUCLMWXNG-IRXDYDNUSA-N	371.481	2.039	10	10	FECE	
CC(C)(C)OC(=O)C1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCOCC1	856392780	CANVBSIPZSNWBW-FNORWQNLSA-N	363.410	2.118	10	10	FECE	
COc1ccc(CNC(=O)N[C@H]2CCC[C@H]2Cc2cnn(C)c2)c(O)c1	852596301	JYZATADAEKQNGP-YOEHRIQHSA-N	358.442	2.345	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(Cn2ccnn2)o1	930205984	RAFIHEOZDPNEET-UHFFFAOYSA-N	351.410	2.450	10	10	FECE	
COc1ccc(N2CCCN(C(=O)c3cncc4ncn(C)c34)CC2)cc1	864948865	CDZRYDDGQVATRG-UHFFFAOYSA-N	365.437	2.329	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@]2(CCO)CCOC2)c1	860108354	ACKVVSYWAHDQRZ-NRFANRHFSA-N	370.449	2.426	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(N2CCOCC2)ncn1	865027089	GSSAHEPRIYQJEW-UHFFFAOYSA-N	369.469	2.042	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCC(F)(C2CC2)CC1	1119815655	BUPOQJGFVVVQAO-UHFFFAOYSA-N	371.456	2.420	10	10	FECE	
CN1CCN(c2ccc(CN3CCC[C@@H](C(=O)N4CCCC4)C3)cc2)CC1	775701877	OASNWMWJXDUAEI-HXUWFJFHSA-N	370.541	2.273	10	10	FECE	
COc1cc(NS(=O)(=O)c2ccc(N3CCOC3=O)cc2)ccc1O	797820301	QBQSABVVVVKTDH-UHFFFAOYSA-N	364.379	2.158	10	10	FECE	
CCc1c(C(=O)NCc2c(O)cccc2O)nnn1Cc1ccc(F)cc1	1304053779	RWYRGJLYTSPVNH-UHFFFAOYSA-N	370.384	2.369	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCC(O)(Cc3ccncc3)CC2)cc1	1156465064	IOHBFDNGNJXJPX-UHFFFAOYSA-N	367.409	2.454	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1	2124509023	KDJJILQRACDGHG-IGCXYCKISA-N	365.434	2.171	10	10	FECE	
C[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO)c1ccc(O)cc1O	2116265170	JPLPTYWJJQQCBS-XEZPLFJOSA-N	366.458	2.366	10	10	FECE	
CN[C@@H](C)CCNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	1348562628	QIRYVHPDZPQATA-KRWDZBQOSA-N	373.545	2.016	10	10	FECE	
C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)Cc1ccc(O)c(O)c1	1298467261	SVLXWYZFEGFYKN-LBPRGKRZSA-N	352.431	2.450	10	10	FECE	
C[C@@H]1CCCN(c2ccc(CNC(=O)CCn3cnnn3)cc2Cl)C1	1530424585	LSMSFTFCKVJGAA-CYBMUJFWSA-N	362.865	2.269	10	10	FECE	
COC(=O)[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1c1ccccc1	1469639483	LWPAXCVYUNRJGC-JKSUJKDBSA-N	355.390	2.056	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)[C@@H]3CSCC(=O)N3)c2C)c1	1544079436	HPJLJRAFTADSOP-KRWDZBQOSA-N	357.479	2.250	10	10	FECE	
CN(C)c1ccc(/C=C2\C(=O)NC(=S)N(Cc3ccco3)C2=O)cc1	1129749	VWZFRPBEGQPUFS-XNTDXEJSSA-N	355.419	2.173	10	10	FECE	
CCN(CC(=O)Nc1cccc(OC)c1)C(=O)Cc1ccc(O)c(O)c1	1543566600	ZACSEKQVBQADAH-UHFFFAOYSA-N	358.394	2.136	10	10	FECE	
COc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1O	1472281262	TYKUMDIUXBOQKK-QGZVFWFLSA-N	357.454	2.500	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc([N+](=O)[O-])[nH]1	1637243786	JFHSWBMHGUFORK-UHFFFAOYSA-N	367.745	2.097	10	10	FECE	
O=C(c1cnc2c[nH]nc2c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	1566686581	OGPFPDVOMSOCHE-HNNXBMFYSA-N	352.394	2.485	10	10	FECE	
CCOC(=O)CN1C(=O)/C(=C\c2ccc(OC)c(O)c2)SC1=S	6076260	DLAFGCMJKLDWBO-KPKJPENVSA-N	353.421	2.165	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNC(=O)c3ccc(O)c(O)c3)[C@@H]2C1	2138562001	WFMPVMSRACPWGM-MGPQQGTHSA-N	362.426	2.331	10	10	FECE	
Cc1cccc(CNC(=O)c2c(C)[nH][nH]c2=NC(=O)OC(C)(C)C)c1O	2139743000	GUEUKNUXZACBQU-UHFFFAOYSA-N	360.414	2.431	10	10	FECE	
CC(C)NCc1ccc(N2CCS(=O)(=O)CC2)cc1Br	232715099	QAZWBUNDOLWZDT-UHFFFAOYSA-N	361.305	2.182	10	10	FECE	
COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NCc2cccc(F)c2O)C1	1967840277	MEDGEDKCCZPFRS-KSMLVUNXSA-N	368.405	2.220	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNCc2c(O)cccc2Cl)C1	702818781	KTPONOCTZUQUKU-XHDPSFHLSA-N	356.850	2.363	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])CO1	2060608748	LNHVCUFTXFKUPU-FRRDWIJNSA-N	353.423	2.312	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@]1(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CCOC1	2060632992	ILHRGMHIPKKUNC-BLLLJJGKSA-N	353.423	2.171	10	10	FECE	
COCC[C@]1(C(=O)N(C)CCN=[N+]=[N-])CCN(C(=O)OC(C)(C)C)C1	2082285613	PLKABRJUOVLMHF-MRXNPFEDSA-N	355.439	2.419	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NC(=O)COc1ccc(N)cc1	2106233344	OIPFNRRXCPVABD-XJKSGUPXSA-N	363.458	2.457	10	10	FECE	
CO[C@H]1CCN(Cc2cc(N)ccc2O)[C@H](CNC(=O)OC(C)(C)C)C1	2106680948	IXZDCYCVUNFIBG-HOTGVXAUSA-N	365.474	2.479	10	10	FECE	
CCN(CCN(C)CC(=O)N(C)c1ccc(N)cc1)C(=O)OC(C)(C)C	2106649167	MZCVYOCJKDJWMS-UHFFFAOYSA-N	364.490	2.420	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C)CCN(c2cc3c(cc2N)OCC(=O)N3)C1	2106835325	CWDCNJMNSDDLOR-GOSISDBHSA-N	362.430	2.093	10	10	FECE	
COc1ccc(N2C(=O)NC(=O)C(=Cc3nc4ccccc4[nH]3)C2=O)cc1	2296110846	ZXDQRVIFTMJPTM-UHFFFAOYSA-N	362.345	2.238	10	10	FECE	
CCOCCCN1CC[C@H](NC(=O)C=Cc2ccc(O)c(O)c2)[C@@H](C)C1	2307987323	SHUKSGZBGYLOLR-RDJZCZTQSA-N	362.470	2.364	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N(CCN(C)C)c2ccccc2)c1	110257891	UMOATESQHLQPKI-MDZDMXLPSA-N	352.438	2.049	10	10	FECE	
Cc1cnn(CCNC(=O)NCc2ccc(N3CCSCC3)cc2)c1	118062071	ZAYIUFUSHNKCII-UHFFFAOYSA-N	359.499	2.244	10	10	FECE	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1F	69426247	LHICHXUBIIPSNF-QGZVFWFLSA-N	370.428	2.496	10	10	FECE	
CC[C@H](Nc1cnn(CC(N)=O)c1)c1cc(Br)ccc1O	36998628	XIYZUVSEGNALPZ-LBPRGKRZSA-N	353.220	2.400	10	10	FECE	
O=C(CCCOc1ccccc1)NCc1ccc(N2CCNC(=O)C2)cc1	41580854	WNYBJMSFNIGMRN-UHFFFAOYSA-N	367.449	2.098	10	10	FECE	
N[C@@H]1C(=O)Nc2cc(N3CCO[C@@H]4CCC[C@@H]43)c(Br)cc21	221245352	FUFDHPSLUWTEJB-YUTCNCBUSA-N	352.232	2.159	10	10	FECE	
CCCOc1ccc(CN2CCC(N(CC)S(C)(=O)=O)CC2)c(O)c1	93320763	MAHMAFVZAUSGDO-UHFFFAOYSA-N	370.515	2.427	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)c1noc2c1COCC2	527609475	KGEKVLACVZMBQA-UHFFFAOYSA-N	353.172	2.145	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)NCCCOC[C@H]1CCCO1	255031564	NZXSQSBOXMLJDP-QKWWCAPFSA-N	374.481	2.238	10	10	FECE	
COc1cccc(CNC(=O)[C@H]2CSCN2C(=O)c2ccccc2)c1O	264291982	VAODBDFHHNINKY-OAHLLOKOSA-N	372.446	2.232	10	10	FECE	
COC(=O)[C@H]1CCN(Cc2cc(Cl)c(F)cc2O)[C@@H](C(=O)OC)C1	293662606	PRHINPVUCFUPQZ-TVQRCGJNSA-N	359.781	2.111	10	10	FECE	
Cc1cc(Br)cc(CNC[C@H]2CCCCN2CCO)c1O	824583760	QBGHQFFKKSKPEK-OAHLLOKOSA-N	357.292	2.400	10	10	FECE	
CC[C@]1(C(=O)O)CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1	923470636	NNCXZVQJFYLXLZ-FQEVSTJZSA-N	361.486	2.288	10	10	FECE	
Cc1nc2sccn2c1C(=O)NCc1ccc(N2CCOCC2)cc1	858724774	STIJRCFSZXOXLM-UHFFFAOYSA-N	356.451	2.471	10	10	FECE	
COC(=O)[C@@H](CF)NC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1	861729535	YKQCIPOFJZMNNY-QGZVFWFLSA-N	360.385	2.076	10	10	FECE	
Cc1cc(C(=O)CN2C[C@@H](CO)O[C@H](C)C2)c(C)n1-c1ccc(F)cc1	787314234	CPAPYLNPVIQIOK-KDOFPFPSSA-N	360.429	2.498	10	10	FECE	
O=C(NCc1cccc(O)c1O)c1cccn2ncc(Br)c12	1303195501	VCHXIZUVJJEHAK-UHFFFAOYSA-N	362.183	2.438	10	10	FECE	
Oc1ccc(CNC[C@@]23CN(Cc4ccccc4)C[C@@H]2CCO3)c(O)c1	2118580597	FEZBVILBBHWAHZ-GHTZIAJQSA-N	354.450	2.479	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)NC[C@]3(C)CC3(C)C)C2)cc1	1333881225	MQKMYCHZLXUUOA-BTYIYWSLSA-N	373.497	2.190	10	10	FECE	
COc1cccc([C@@H](C)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)c1O	1349574519	WINNDQQYNBWQKQ-ODXCJYRJSA-N	369.421	2.306	10	10	FECE	
CCOCc1nnc(N(C)CCOC)n1Cc1ccc2c(c1)CCCN2C	1297078943	HNWAITFVKSQOKZ-UHFFFAOYSA-N	373.501	2.328	10	10	FECE	
NC(=O)COc1cccc2c1CCCN2C(=O)/C=C\c1cncc(F)c1	1522330123	RXLHZXBRDCRKFV-SREVYHEPSA-N	355.369	2.077	10	10	FECE	
CCOC(=O)[C@@H]1CC[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1	1544746483	WTBPMFJVIBJFII-JKSUJKDBSA-N	360.454	2.323	10	10	FECE	
C[C@H](NCC(=O)Nc1cc(S(C)(=O)=O)ccc1F)c1ccccc1O	1560075166	VERWXNLJRWZDCT-NSHDSACASA-N	366.414	2.224	10	10	FECE	
O=C(/C=C/C(=O)Nc1ccc2n[nH]cc2c1)NCc1c(O)cccc1F	1635360155	BHJOUKWAGWZOOD-VOTSOKGWSA-N	354.341	2.219	10	10	FECE	
Cc1nnc(N2CCN(CC3CC3)CC2)n1Cc1ccc(N(C)C)c(F)c1	1751934443	UXFPRAPTCJGSBZ-UHFFFAOYSA-N	372.492	2.372	10	10	FECE	
COc1ccc(N2CCC(NC(=O)NCC[C@H](C)[S@](C)=O)CC2)cc1	165793748	UAHKITBKKDKBAO-HWRSSNJWSA-N	367.515	2.120	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)NCc2c(O)ccc3c2CCCC3)c1	156358519	VHZNSGVNHDVZEA-RMKNXTFCSA-N	365.433	2.355	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C[C@@H](O)C1(C)C	1879107688	VEAKANHAOVCBAH-QFSBIZTOSA-N	367.450	2.342	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NCc3ccc(O)c(O)c3O)[C@@H]21	2033595133	DTONFXZVNBQJNZ-KWCYVHTRSA-N	350.415	2.291	10	10	FECE	
CCN(c1ccc(CNC)cc1Br)[C@H](C)CS(C)(=O)=O	2170421949	RXOXCBUIPKETJD-LLVKDONJSA-N	363.321	2.428	10	10	FECE	
CN(CC(=O)Nc1ccc(N)cc1)CC(C)(C)NC(=O)OC(C)(C)C	2044606379	CCAPEOOYZORPGL-UHFFFAOYSA-N	350.463	2.442	10	10	FECE	
CO[C@H](C(=O)N1CCC[C@H]1CN=[N+]=[N-])C1CN(C(=O)OC(C)(C)C)C1	2060634100	VIUXHQASUXGRLJ-STQMWFEESA-N	353.423	2.170	10	10	FECE	
Cc1ccc(O)c(CN2CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C2)c1	2081017020	IJZIBROSCUJCFV-SFHVURJKSA-N	350.415	2.254	10	10	FECE	
C[C@H]1CN(C(=O)COc2ccc(N)cc2)CCN(C(=O)OC(C)(C)C)C1	2106695291	WRDKEPBQEQWMHP-AWEZNQCLSA-N	363.458	2.363	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H](NC(=O)Cc2ccc(N)cc2)C1	2219134981	ODVFLNYWZHBOJK-ZFWWWQNUSA-N	351.422	2.275	10	10	FECE	
COc1ccc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)c(CO)c1	2227710242	CSFNHHSESGNRNR-SFTDATJTSA-N	354.450	2.277	10	10	FECE	
COc1ccc(N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C2)c(OC)c1C	2278061814	KTOLLWDXWAPWMH-UONOGXRCSA-N	366.458	2.477	10	10	FECE	
CCS(=O)(=O)c1c(N)nsc1NCc1cnc(SC)s1	2284699725	PFPTVPDCAUFGLU-UHFFFAOYSA-N	350.516	2.309	10	10	FECE	
O=C1NC(=S)SC1=CN1N=C(c2ccc(Cl)cc2)C[C@@H]1C(=O)O	2294778321	ZMVPMSNKPZGYHA-SNVBAGLBSA-N	367.839	2.192	10	10	FECE	
CCN(CC)CCCNC=C1C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O	2296931456	NWRYWOJOLJAFTE-UHFFFAOYSA-N	372.469	2.092	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](Cc1ccccc1)n1cnnn1	28495341	XBVDHRSXKSMAOS-LJQANCHMSA-N	364.453	2.182	10	10	FECE	
Nc1ccc(CC(=O)Nc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1	66153946	YQVAHBJRXOAFEY-SFHVURJKSA-N	353.422	2.359	10	10	FECE	
COC(=O)CCCCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	187554117	FPUKRHKLAOGIEZ-UHFFFAOYSA-N	362.470	2.245	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)c1cn(C[C@@H]2CCOC2)nn1	529306866	VCFWBNCZCSLOMW-HNNXBMFYSA-N	358.442	2.463	10	10	FECE	
COC(=O)C[C@H]1CCCN1C(=O)/C=C\c1ccc(N2CCOCC2)cc1	255386732	CKFCREXWAOADGP-OTIVFRFGSA-N	358.438	2.091	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N[C@@H]1Cc2ccccc2[C@@H]1O	255069798	HLIANXLMBBLRGR-GODSMEOCSA-N	364.445	2.311	10	10	FECE	
COc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)c1O	369035689	IPAXXUIJNZYHHV-HNNXBMFYSA-N	370.405	2.027	10	10	FECE	
COc1ccc(N2CCCN(c3nccn(C(F)F)c3=O)CC2)cc1	367449243	DQMRMQFOJONKLD-UHFFFAOYSA-N	350.369	2.364	10	10	FECE	
COc1ccc(COCC(=O)N2CCOc3cc(N(C)C)ccc32)cn1	625916399	SVANNHGBYZZDIV-UHFFFAOYSA-N	357.410	2.098	10	10	FECE	
O=C(NCCOC[C@H]1CCOC1)NCc1cc(Br)ccc1O	805098851	XZDWLMWAGMQTRQ-NSHDSACASA-N	373.247	2.007	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)c1cn(C)[nH]c1=NC(=O)OC(C)(C)C	2163129075	ZAENPELLAHTTLK-QGZVFWFLSA-N	371.485	2.490	10	10	FECE	
CCOC(=O)[C@@H](CNC(=O)c1c(F)ccc(O)c1O)Cc1ccccc1	825594486	DSCIABIKSIRMRB-CYBMUJFWSA-N	361.369	2.389	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCNC(=O)[C@@H]2CC(C)C)c([N+](=O)[O-])c1	588543519	LHDXYKJKOXQYJR-WRLNGNIRSA-N	361.398	2.132	10	10	FECE	
COc1ccc(O)c(CNC(=O)CN2CC[C@H](c3ccccc3)NC2=O)c1	830545284	WXRZUQCZWCRIJJ-QGZVFWFLSA-N	369.421	2.174	10	10	FECE	
Cc1ccnc(S(=O)(=O)NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1	733865476	URMKPXNNKWSMDL-UHFFFAOYSA-N	370.434	2.311	10	10	FECE	
C[C@H](NC(=O)NCc1cncc(O)c1)c1ccc(N2CCOCC2)cc1	914401017	ZQBVUOHAYRWVNU-AWEZNQCLSA-N	356.426	2.184	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cc3cn4c(n3)CCCC4)CC2)cc1F	845747278	BETBSBORICBVQG-UHFFFAOYSA-N	372.444	2.258	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC[C@H]1CC(=O)N(C)C1	922912358	FZDCDZSLKQPZQZ-HOTGVXAUSA-N	360.502	2.160	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](OC)C(F)(F)F)C2)cc1	852104982	HOFLHYFHMZJFCD-RISCZKNCSA-N	361.364	2.150	10	10	FECE	
COC(=O)c1cnc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cn1	859191088	VJVRNGUECDPLJH-INIZCTEOSA-N	357.410	2.150	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3CCN3C(C)(C)C)C2)cc1	852414582	RFWCZFGKJOGYAE-NVXWUHKLSA-N	360.502	2.446	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)COCc1ccnc(O)c1	862001772	CTMUBGHXLQNMOZ-OAHLLOKOSA-N	357.454	2.426	10	10	FECE	
Cc1cc(Cl)cc(CN[C@H]2CCN(c3ccc4nncn4n3)C2)c1O	862481196	CKTRFFSCLUXJSR-AWEZNQCLSA-N	358.833	2.160	10	10	FECE	
O=C([C@@H]1CSCN1C(=O)c1ccccc1)N1Cc2cccc(O)c2C1	871198773	OOUXPTSHSWVIAB-INIZCTEOSA-N	354.431	2.450	10	10	FECE	
Cc1cc(CC(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)c(C)n1-c1ccccc1	896530148	IRJLNNWRPODPCB-LAUBAEHRSA-N	368.525	2.387	10	10	FECE	
COc1cc(CN2CC(C3CS(=O)(=O)C3)C2)c(O)c(C(C)(C)C)c1	895424146	OXZHRSATRGONTO-UHFFFAOYSA-N	353.484	2.175	10	10	FECE	
Cc1cc(C(=O)N2CCC[C@@H](c3nnc(N)o3)C2)c(C)n1-c1ccccn1	1168471405	WOTUBBHOHPKJFM-CQSZACIVSA-N	366.425	2.474	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCC[C@H](CN=[N+]=[N-])C2)C1	2124532025	IDOOBXONWOJIPA-DYVFJYSZSA-N	367.450	2.297	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1(C)C	2132400449	MUXFDSMWJDWEKR-CHWSQXEVSA-N	366.414	2.225	10	10	FECE	
Cc1nc(CS(C)(=O)=O)sc1CC(=O)N[C@@H](C)c1ccccc1O	1263884951	HNYQTJUUWYLTAG-JTQLQIEISA-N	368.480	2.122	10	10	FECE	
CO[C@@H]1CC[C@H]1N(C)c1nnc(-c2sccc2O)n1C[C@H]1CCOC1	1345434871	WGKZVQKAUUWZLL-YRGRVCCFSA-N	364.471	2.362	10	10	FECE	
O=C(CNC(=O)c1cc2ccccc2[nH]1)NCc1ccc2cccnc2c1O	1469250977	VQDNXPHTXYRBIP-UHFFFAOYSA-N	374.400	2.468	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1Cc2cc(F)ccc2NC1=O	1466790062	AZZNONGNUOTASD-QMTHXVAHSA-N	358.369	2.095	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3C[C@@H](C)O[C@H]3C)CC2)c(OC)c1	1479112108	KCUNYDVPTAYOAM-IJEWVQPXSA-N	363.458	2.101	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[C@H]2NC(=O)OC(C)(C)C)c1	1545684395	VLURNFUTWODZGD-LEWSCRJBSA-N	350.415	2.491	10	10	FECE	
CC(C)Cc1nnc(NC(=O)CCC(=O)NCc2ccccc2O)s1	1545682029	NSYNZUHACIKHDY-UHFFFAOYSA-N	362.455	2.477	10	10	FECE	
O=C(NCCCSc1nccs1)[C@@H]1OCCO[C@@H]1C(F)(F)F	1616241908	SCLUMKUFZDQERW-BDAKNGLRSA-N	356.391	2.088	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCc2nc[nH]c2[C@@H]1c1cccnc1	1627528506	VNSIXBIOMOLUBM-MNBNYPOFSA-N	362.389	2.403	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CCCO1	1632680908	IFCHKWHRRSQNQQ-CWTRNNRKSA-N	365.426	2.036	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2ccc([N+](=O)[O-])cc2N)cc1	1632049321	KROXOZSHTSULNM-UHFFFAOYSA-N	358.398	2.394	10	10	FECE	
CO[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)C12CCC2	1636006222	MGVKMGYHLIWWAC-RBUKOAKNSA-N	372.513	2.195	10	10	FECE	
CCc1nnc(N(C)OC)n1Cc1ccc(N2CCC(CO)CC2)cc1	1727516704	DPCUCQCCWWWWEC-UHFFFAOYSA-N	359.474	2.095	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H](C)c1nnc(O)n1C	1643993902	CGHJCACADHGTFW-GFCCVEGCSA-N	367.409	2.232	10	10	FECE	
Cc1cc(C(=O)NCc2cc(=O)n3ccccc3n2)c(C)n1-c1ccccn1	1640632776	YVRPBFVEUALWTQ-UHFFFAOYSA-N	373.416	2.427	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3CCC([C@@H](C)O)CC3)CC2)cc1	158631218	DMPPAYAFIGUNJH-OAHLLOKOSA-N	361.486	2.466	10	10	FECE	
O=C1/C(=C\c2ccc(O)cc2)SC(=S)N1CCCN1CCOCC1	1858586548	AVCCFDSNSBBSLF-NTCAYCPXSA-N	364.492	2.316	10	10	FECE	
CN(C)c1ccc([C@@H](NC(=O)c2ccc(O)cn2)c2nccn2C)cc1	1865962565	ATXVRLJUFXMYKE-QGZVFWFLSA-N	351.410	2.106	10	10	FECE	
O=C(N[C@H]1COCC[C@@H]1NCc1cccc(O)c1O)OCc1ccccc1	1943956164	WLUZXCRBMOQJMQ-IRXDYDNUSA-N	372.421	2.271	10	10	FECE	
CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](O)C1(C)C)c1ccc(N)cc1	1879117688	GDWQMTMDJVZZMC-AUUYWEPGSA-N	363.458	2.286	10	10	FECE	
NC(=O)c1cccc(N)c1N[C@H]1CC[C@H]1NC(=O)OCc1ccccc1	1978874517	VHQOIGFYTHECLN-JKSUJKDBSA-N	354.410	2.237	10	10	FECE	
Cn1nc(CNCc2ccc(O)c(O)c2O)c(Br)c1Cl	2153060368	QCEXJGCMSNMSRH-UHFFFAOYSA-N	362.611	2.243	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)[C@@H](N)CC(=O)OCc1ccccc1	388582912	WSIHJOOBSWYIBC-PBHICJAKSA-N	356.422	2.372	10	10	FECE	
C[C@@]1(CNCc2cc(Br)ccc2O)CCCS(=O)(=O)C1	2194276374	JXRKPWNDTHEHCK-AWEZNQCLSA-N	362.289	2.459	10	10	FECE	
CC(C)(C)OC(=O)N1CC([C@H](F)CNC(=O)c2ccc(O)c(O)c2)C1	2054397117	BENAOIVDRWZNRS-GFCCVEGCSA-N	354.378	2.033	10	10	FECE	
CN(C)c1ccc([C@@H](N)c2nn(C)cc2I)cc1	2057532235	BFXRZXUJPCLQPV-GFCCVEGCSA-N	356.211	2.139	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@H]1CCOCC[C@H]1NC(=O)OC(C)(C)C	2060636753	BDWSHNKZVRCQLN-CHWSQXEVSA-N	355.439	2.465	10	10	FECE	
CO[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2060622040	UVKOCAQAEBXMMC-JHJVBQTASA-N	355.439	2.464	10	10	FECE	
Nc1ccc(CNS(=O)(=O)c2cc(Br)ccc2N)cc1	2191638348	RSPRREQVVOGHAE-UHFFFAOYSA-N	356.245	2.092	10	10	FECE	
Nc1ccc(CNC(=O)[C@@H]2CC[C@H](C(=O)O)N2Cc2ccccc2)cc1	2105909853	DIMCCWWHZSROFI-ZWKOTPCHSA-N	353.422	2.003	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCCN(c2cc3c(cc2N)OCC(=O)N3)C1	2106718345	QZTNMGXXZDKCEU-NSHDSACASA-N	362.430	2.093	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)[C@@H](O)[C@H]1CCN1C(=O)OC(C)(C)C	2106854115	YYXPJQZVAOVNNT-KURKYZTESA-N	361.486	2.310	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(CCC(=O)Nc1ccc(N)cc1)C2	2288266287	BGCRIKBBUHQWCS-XOBRGWDASA-N	374.485	2.444	10	10	FECE	
Cc1ccc(N2C(=O)NC(=O)C(=CNc3cccc(N)c3)C2=O)cc1C	2296939591	ZRJGDBKBPWDHIK-UHFFFAOYSA-N	350.378	2.464	10	10	FECE	
CC(C)(C)OC(=O)NCC[C@](C)(NCc1ccc2c(c1)CCO2)C(=O)O	2351449541	JXVWWDPGOSOYNK-IBGZPJMESA-N	364.442	2.469	10	10	FECE	
COc1cc(OC)cc(N2CC[C@H](CNC(=O)Cc3ccc(N)cc3)C2)c1	178853768	ZNBRUFZRJQADII-MRXNPFEDSA-N	369.465	2.471	10	10	FECE	
COc1cnccc1[C@H](C)NCC(=O)N(C)Cc1ccc(N(C)C)cc1	187067785	IYWDRRRVPFUPSJ-HNNXBMFYSA-N	356.470	2.465	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)Cc3ccc(N)cc3)cn2)C[C@@H](C)O1	237440875	VPZHDJXCLNHTOS-HUUCEWRRSA-N	354.454	2.136	10	10	FECE	
CCCN(C(=O)/C=C\c1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1	96543641	BGWDFLNLVHWTMN-JEZWAEDTSA-N	350.484	2.192	10	10	FECE	
CN(C)c1ccc(CNC(=O)NCc2cccnc2-n2ccnc2)cc1F	363665047	GMMIADAXSDKGSK-UHFFFAOYSA-N	368.416	2.472	10	10	FECE	
Cc1cc(C(=O)N2CC[C@](O)(C(N)=O)C2)c(C)n1-c1cccc(C(C)C)c1	803164734	WAXYLFBDSATAPQ-OAQYLSRUSA-N	369.465	2.280	10	10	FECE	
COc1nnc(NC(=O)NCc2cc(Br)ccc2O)s1	806447249	SFAYXNHCZVRGKY-UHFFFAOYSA-N	359.205	2.337	10	10	FECE	
COc1cc(Br)cc(CNC[C@H](CO)c2cccnc2)c1O	808431697	XPCDQLHNGDCPQE-CYBMUJFWSA-N	367.243	2.424	10	10	FECE	
Cc1cc(Br)cc([C@@H](C)N[C@H]2CCC(=O)N(C)C2=O)c1O	818360765	CFAPIJFMVPEPPQ-SKDRFNHKSA-N	355.232	2.261	10	10	FECE	
COC[C@](C)(O)CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	824559818	ZPPDNVNHTMJZLY-GOSISDBHSA-N	351.447	2.462	10	10	FECE	
CN(C)c1ccc(/C=C/CNC[C@H]2CCCCN2S(C)(=O)=O)cc1	835052835	HWNRFORQZZHOOI-IPLHWJFFSA-N	351.516	2.170	10	10	FECE	
COc1ccc(Br)c(CN[C@@H](C)CC[S@@](C)=O)c1O	1964051812	GWIYQLHZDCXBHG-ZRNGKTOUSA-N	350.278	2.410	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)c3c[nH]ccc3=N)cc2F)C[C@H](C)O1	844172178	AOUXARMVWWSGPM-STQMWFEESA-N	358.417	2.177	10	10	FECE	
O=C(O)c1cnn2c(O)cc(CN3CCC[C@@H]3Cc3cccc(F)c3)nc12	846241718	MJNQZTZJZHHUOQ-OAHLLOKOSA-N	370.384	2.479	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(CO)cc3)C2)cc1	854297399	RLWQDASBFPIYMJ-KRWDZBQOSA-N	355.438	2.266	10	10	FECE	
COC(=O)c1oc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1C	858723820	CKDFHTFWIJCPPW-UHFFFAOYSA-N	358.394	2.141	10	10	FECE	
CCON(CC)C(=O)CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	858542942	CZHUNKPFKSANDL-HNNXBMFYSA-N	364.490	2.091	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@]4(CCN(C)C4)C3)C2)cc1	852449145	PZTVOBVVOKHCOW-OXQOHEQNSA-N	358.486	2.011	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H](NC(C)C)C3)C2)cc1	854301859	VGTULFDRYIAIAH-IRXDYDNUSA-N	360.502	2.446	10	10	FECE	
CO[C@@H](CNC(=O)c1csc(Cc2ccc(N)cc2)n1)[C@H]1CCOC1	851639933	NGZSVMBQBNJMIL-BBRMVZONSA-N	361.467	2.097	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3ccccc3OC)C2)cc1	850535772	BGWCZYILKMUBRD-AWEZNQCLSA-N	369.421	2.037	10	10	FECE	
COc1ccc(N2CCCN(C(=O)[C@@H]3CCCN(C4CC4)C3=O)CC2)cc1	930309051	DOOGLQBMMOFPQR-IBGZPJMESA-N	371.481	2.135	10	10	FECE	
Nc1ccc(CCNC(=O)C(=O)N2[C@H]3CC[C@H]2CC2(C3)CC2(F)F)cc1	861777764	XRDYJJFBOSBBGU-GJZGRUSLSA-N	363.408	2.106	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3[C@@H]4C[C@@H]5[C@@H]3OC[C@@H]5C4)C2)cc1	868721130	RYMBPPSMHWYIKN-KDDNCGOXSA-N	371.481	2.244	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)c3cncc4ncn(C)c34)C2)cc1	868955664	NUDFYFOSQXMQKB-AWEZNQCLSA-N	365.437	2.233	10	10	FECE	
CCc1nc(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)no1	775403412	IEODNGKIWNCCDH-UHFFFAOYSA-N	369.469	2.094	10	10	FECE	
CC(=O)C(=O)COC(=O)c1nc(C(C)C)ncc1OCc1ccccc1	885810623	JRKXTAXEIYCYQY-UHFFFAOYSA-N	356.378	2.494	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@]3(O)CCc4ccccc4C3)CC2)cc1	785685765	CXWFBAYSPHVWCD-QFIPXVFZSA-N	366.461	2.264	10	10	FECE	
C[C@@H](NC(=O)C(C)(C)c1cnn(C)c1)c1ccc(N2CCOCC2)cc1	783933763	ROKJZKPPDCYBRN-OAHLLOKOSA-N	356.470	2.412	10	10	FECE	
COC(=O)N1CCC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1	896082054	RCJBSODGDFWFLX-SNVBAGLBSA-N	350.396	2.273	10	10	FECE	
COC(=O)c1c(CN2CCCN(C(C)=O)CC2)c2cc(F)ccc2n1C	893914707	LWVIWYPASMDWSO-UHFFFAOYSA-N	361.417	2.158	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1csc(Cl)n1	1329259620	AEMGCEQEHPSKIE-VIFPVBQESA-N	370.814	2.112	10	10	FECE	
CNc1cc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)ccn1	1351612070	JKZCCWGEJSUWLP-SFHVURJKSA-N	370.501	2.291	10	10	FECE	
C[C@H](O)CN(Cc1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	1914667889	PVNIHVLEABLDHG-LBPRGKRZSA-N	357.366	2.313	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)N3CC(C)(C)[C@H]4COC[C@H]43)cc2)CC1	1479185430	JSRDRPQPZNHRHS-RBUKOAKNSA-N	372.513	2.005	10	10	FECE	
COC(=O)c1cc(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)no1	1471421635	DXKZTHQHJBKXDD-HWKANZROSA-N	372.377	2.292	10	10	FECE	
CCN(CC)c1ccc(Cn2c(C)nnc2N2CC(=O)N(C)C[C@H]2C)cc1	1547442522	RBAMKEJUKVSZEW-OAHLLOKOSA-N	370.501	2.148	10	10	FECE	
CCCS(=O)(=O)Nc1ccccc1C(=O)NCc1cc(O)ccc1O	1471661721	ZVPOQICEJLPBNP-UHFFFAOYSA-N	364.423	2.180	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	1557084747	MPJDRXIOCCMXNG-UHFFFAOYSA-N	354.322	2.122	10	10	FECE	
Cc1nnc(N(C)CCn2cccn2)n1Cc1ccc(N(C)C)c(F)c1	1492786057	DLLJQKOFBTWORJ-UHFFFAOYSA-N	357.437	2.173	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2cccc(Cl)c2O)c1	1648606516	RGSYNBBVRKKYAB-UHFFFAOYSA-N	370.814	2.053	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCN(c2ccncc2)C1	1641192713	DTYUSNCOFPEKKU-SFHVURJKSA-N	366.465	2.061	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C)[C@@H](C(C)C)C3)C2)cc1	1674327223	PVDKKLDRYOLQPF-QFBILLFUSA-N	360.502	2.256	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCn2ccnc2C1	1693458472	NSSXIODXXHWHLH-OAHLLOKOSA-N	352.442	2.388	10	10	FECE	
CCC[C@H](NC(=O)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862298506	LWXLKXKVOWMAIZ-SFHVURJKSA-N	361.486	2.285	10	10	FECE	
CN(C)c1ccc([C@H](CN)N2CC3(CCN3C(=O)OC(C)(C)C)C2)cc1	1881407092	UGKSVLGVIJBHLL-KRWDZBQOSA-N	360.502	2.448	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CCC(C(N)=O)CC3)ccc(N)c2C1	383335008	OUNFRQRHVCNHIP-UHFFFAOYSA-N	374.485	2.264	10	10	FECE	
C[C@@H]1C[C@H](NS(=O)(=O)Cc2ccc(N)cc2)CN1Cc1ccccc1	398222156	SUYXTBVNOJBEAH-BEFAXECRSA-N	359.495	2.351	10	10	FECE	
CN(CC1(S(C)(=O)=O)CC1)c1ccc(CN)c(Br)c1F	2167824606	IWDRNWBWFJZAQL-UHFFFAOYSA-N	365.268	2.060	10	10	FECE	
CC(C)(C)OC(=O)NCCCOCCNC(=O)Nc1ccc(N)cc1	2044250276	QOHZFNIUWVPXRO-UHFFFAOYSA-N	352.435	2.322	10	10	FECE	
CCN(C(=O)OC(C)(C)C)C1CN(S(=O)(=O)Cc2ccc(N)cc2)C1	2044641970	PEXOBWVLNITSCN-UHFFFAOYSA-N	369.487	2.040	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2060615899	UIZHXPYWSLPXJZ-AVGNSLFASA-N	353.423	2.048	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)COc2ccc(N)cc2)C12CC2	2106257304	IRIKGXRUEZTACP-OAHLLOKOSA-N	361.442	2.306	10	10	FECE	
COC(=O)c1cccc(N)c1N[C@H]1COCC[C@@H]1NC(=O)OC(C)(C)C	2108839419	VKVRVHHGSNUJNS-KBPBESRZSA-N	365.430	2.150	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)[C@](O)(CF)CNC(=O)OC(C)(C)C	2265168317	OCIRWJRIHQXVEU-APWZRJJASA-N	367.465	2.165	10	10	FECE	
CC(C)c1noc(CCNC(=O)C=Cc2ccc(N3CCOCC3)cc2)n1	2297510905	PETMSMUXBUNYGY-UHFFFAOYSA-N	370.453	2.402	10	10	FECE	
CON(C)c1nnc(-c2sc3ncccc3c2O)n1C[C@@H]1CCOC1	1346507669	MDACJVYBVJRYLC-JTQLQIEISA-N	361.427	2.295	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](NC(C)=O)C2)cc1F	66927105	PGAIWERJYNJJKJ-MRXNPFEDSA-N	364.465	2.482	10	10	FECE	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCCSCC2)c1	123965838	DQXDBPSQCGEIHG-UHFFFAOYSA-N	364.511	2.366	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C(=O)N2CCc3cc(O)c(O)cc3C2)C1	2366902493	IABLOMVXPDRPII-XOBRGWDASA-N	374.437	2.240	10	10	FECE	
CC(C)(C)OC(=O)NC1CC(NC(=O)c2ccn(-c3ccc(N)cc3)n2)C1	2162516818	VIRCHJCLNOSWIN-UHFFFAOYSA-N	371.441	2.240	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NCc1ccc(F)c(F)c1O	700679847	ZKIPPZPKIRECGI-OLZOCXBDSA-N	358.385	2.394	10	10	FECE	
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1cc(Br)ccc1O	805035762	PMULHWYJSZOCEP-VHSXEESVSA-N	372.263	2.257	10	10	FECE	
CN(CC(C)(C)S(C)(=O)=O)c1cc(Br)c(CN)cc1F	713918627	VKAMKRLNYCDLQS-UHFFFAOYSA-N	367.284	2.306	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)C1(CF)CCOCC1	837860506	JSBKYJYECMEOBO-UHFFFAOYSA-N	366.433	2.021	10	10	FECE	
O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CNCCC1(F)F	842007680	ZLILEMWMCQZJEF-SNVBAGLBSA-N	354.184	2.495	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)c3ccnc(O)c3)C2)cc1	854093334	WZLYULJQSNFLNY-HIFRSBDPSA-N	356.426	2.435	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CCN(C)c3ccncc3)C2)cc1	855224974	HBPFOTKSFDWALM-MRXNPFEDSA-N	354.454	2.312	10	10	FECE	
CSc1nc(C)c(CCC(=O)NCc2c(O)cccc2F)c(O)n1	928709600	JWGJHSKXDPLEAH-UHFFFAOYSA-N	351.403	2.306	10	10	FECE	
Cn1nc(Cl)c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1Cl	858724400	PGJWTMGFSCSTBC-UHFFFAOYSA-N	369.252	2.494	10	10	FECE	
CN(C)c1ccc(CN(CC(=O)N2CCOC[C@@H]2C2CC2)C2CC2)cc1	766238917	CGQQAFFGUIJRAE-HXUWFJFHSA-N	357.498	2.354	10	10	FECE	
C[C@@H](NC(=O)NC[C@H]1CS(=O)(=O)c2ccccc21)c1ccccc1O	868657241	ZMAVWFZRLSCOHW-OLZOCXBDSA-N	360.435	2.324	10	10	FECE	
O=C1N[C@@H](C[C@H]2CCCOC2)C(=O)N1CCCSc1nccs1	863504616	USCNTXSDDMIXNZ-NEPJUHHUSA-N	355.485	2.362	10	10	FECE	
COC[C@H](C)OC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	867105634	RIFRTGHBCXPJPZ-ZDUSSCGKSA-N	368.430	2.006	10	10	FECE	
C[C@@H](CO)COC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	785414430	WUGWLNHPPTVEKR-JTQLQIEISA-N	371.436	2.040	10	10	FECE	
Cc1cc(CCNC(=O)NCCCOCCO)c(C)n1-c1ccccc1	780817783	RQIILUVLSLDMDS-UHFFFAOYSA-N	359.470	2.335	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CN(C)C[C@@H]1c1ccccc1	1138152381	GCYFTWNWVMHVBJ-OLMNPRSZSA-N	354.450	2.490	10	10	FECE	
CC[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H](C)S1(=O)=O	897760511	SSVQQLNNZRMCNC-GXSJLCMTSA-N	369.464	2.350	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1)C1COC1	2124537899	CXFQDPWRWBSWSJ-GXTWGEPZSA-N	367.450	2.465	10	10	FECE	
C[C@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2ccc(O)c(O)c2)C1	2118184910	PYRNPBXCRQUBPA-ONGXEEELSA-N	360.332	2.017	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H]1C[C@H]2C=C[C@H]1CC2	1335800603	RFXDBCQJYOWCSO-VDZJLULYSA-N	351.450	2.150	10	10	FECE	
O=C(NC1C[C@H]2C[C@@H]2C1)C(=O)N(Cc1ccco1)Cc1ccccc1O	1332068639	SVASZMSURVUGPS-HUUCEWRRSA-N	354.406	2.429	10	10	FECE	
COc1ccc(O)c([C@@H](C)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1	1337786304	WAUFOMPPOHBMOR-MPBGBICISA-N	369.421	2.306	10	10	FECE	
O=C(C(=O)N1Cc2cccc(O)c2C1)N1CCC(c2ccncc2)CC1	1330383334	CJQKOXSBHXYVGD-UHFFFAOYSA-N	351.406	2.036	10	10	FECE	
CN(Cc1nc(=N[C@@H]2CCc3cccc(O)c32)[nH][nH]1)C(=O)OC(C)(C)C	2128848367	WPORCSWCJNFHEP-GFCCVEGCSA-N	359.430	2.399	10	10	FECE	
COC1(c2nccn2C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1	1350266147	FIQBSNCTLPLWJH-UHFFFAOYSA-N	359.407	2.044	10	10	FECE	
Cc1cc(CN2CCC[C@@H]3OCCNC(=O)[C@H]32)ccc1N1CCCCC1	1460677024	NJKYGCXHHIFJDO-PMACEKPBSA-N	357.498	2.465	10	10	FECE	
CCOc1ncccc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1	1536523188	BGVGYYTZNGYJQJ-UHFFFAOYSA-N	354.454	2.162	10	10	FECE	
COc1ccc(N(C)CCN(C)CC(=O)N2C[C@H](C)OC(C)(C)C2)cc1	1473610980	WQNAOCCHXAGXQQ-INIZCTEOSA-N	363.502	2.089	10	10	FECE	
CC[C@@H]1C[C@H]1C(=O)N[C@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1	1701629931	DAPRSOHRVHGFTA-LALPHHSUSA-N	359.430	2.472	10	10	FECE	
CC[C@H]1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@@H]1C	1617360221	LYKIXLPAQVPDPS-WBVHZDCISA-N	363.477	2.399	10	10	FECE	
CC[C@](CNC(=O)Cc1ccc(O)c(O)c1)(C(=O)OC)c1ccccc1	1626336841	XEVGEGDOQALGMF-HXUWFJFHSA-N	357.406	2.278	10	10	FECE	
CCOCCn1c(C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1	1747354343	QFKUUUQCRQTIPF-UHFFFAOYSA-N	359.474	2.096	10	10	FECE	
CC(=O)NCCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S	1858594335	VKQWCPJLQYQPRJ-UKTHLTGXSA-N	365.436	2.322	10	10	FECE	
COc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccc(N)cc2)N(C)C)cc1	1860082704	RNKHVLHEIHOFJE-LIRRHRJNSA-N	357.454	2.464	10	10	FECE	
Nc1ccc(Oc2ccc(NC(=O)c3cnc4[nH]ncn4c3=O)cc2)cc1	1866225172	YKWNLXDCAOVLEV-UHFFFAOYSA-N	362.349	2.044	10	10	FECE	
C[C@H]1N(C(=O)OC(C)(C)C)C[C@@]1(O)[C@@H](N)c1ccc2c(c1)CCCN2C	1887683377	INDAFYLTVFWDGY-VOWSPCBNSA-N	361.486	2.439	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNCc2cccc(F)c2O)C[C@@H]1O	2052656369	HNHIHXGWEJICHN-GLQYFDAESA-N	354.422	2.285	10	10	FECE	
CN1CCc2cc([C@H](O)[C@](C)(NC(=O)OC(C)(C)C)C(=O)O)ccc21	2058196934	GXYFVMAIWCURLH-KSSFIOAISA-N	350.415	2.080	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2060634315	YBEVJFNYQXIKMQ-YNEHKIRRSA-N	353.423	2.027	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](C(=O)N1CC(N=[N+]=[N-])C1)C1CCOCC1	2060612571	HUNLDTFORBSLGS-CYBMUJFWSA-N	353.423	2.075	10	10	FECE	
CN(C(=O)CN1C[C@@H]2C[C@@H]2[C@H]1CNC(=O)OC(C)(C)C)c1ccc(N)cc1	2198986176	ZYXYWSSLPVYPFO-RRQGHBQHSA-N	374.485	2.077	10	10	FECE	
CCN(C(=O)OC(C)(C)C)C1CN(CC(=O)N(C)c2ccc(N)cc2)C1	2106759697	ISLLZTDULDZKPY-UHFFFAOYSA-N	362.474	2.173	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCCNc3ccccc32)=C[C@H]1O	2200988610	OWUGLMPNBGCAQO-NVXWUHKLSA-N	373.453	2.420	10	10	FECE	
CC(C)(C)OC(=O)NCCCC[C@@H](NCc1ccc(O)c(O)c1)C(=O)O	2274061691	IGQNHIJIYGEXBA-CYBMUJFWSA-N	368.430	2.336	10	10	FECE	
CSc1ncc(CNC(=O)[C@@H](N)[C@@H](C)OCc2ccccc2)s1	2243789310	CYFYXCATOZHTNB-RISCZKNCSA-N	351.497	2.414	10	10	FECE	
COc1ccc(Br)c(CN2CC(F)(F)C[C@@H]2CN)c1O	2296421969	WCMATNUGTNRKQO-MRVPVSSYSA-N	351.191	2.332	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@]3(O)C[C@@H]4C[C@H]3N(C(=O)OC(C)(C)C)C4)ccc21	2354609585	IXFPRWIMSMEBKZ-JBYCIGCPSA-N	373.497	2.439	10	10	FECE	
O=C1C[C@@H](c2ccc(Cl)cc2)N=C(NC(=O)c2ccc3c(c2)OCO3)N1	20924502	MRMULFNFCBEDRU-ZDUSSCGKSA-N	371.780	2.416	10	10	FECE	
CS(=O)(=O)[C@H]1CCC[C@H]1NCc1ccc(N2CCSCC2)cc1	182495044	FCKUUDATZXUXCR-SJORKVTESA-N	354.541	2.295	10	10	FECE	
O=C(c1[nH]nc2c1CNCC2)N(Cc1ccco1)Cc1ccccc1O	188907080	PGJXRLJIGQOYOR-UHFFFAOYSA-N	352.394	2.197	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](CC)c3nccs3)nc12	185048215	WYUAZGWPTSWJLR-LBPRGKRZSA-N	361.427	2.309	10	10	FECE	
CCOc1cc(C)nc(N2CCN(Cc3ccc(OC)cc3O)CC2)n1	121536574	FTRYWAIUFUBVJO-UHFFFAOYSA-N	358.442	2.220	10	10	FECE	
CC(C)CN1C(=O)/C(=C/N[C@H](C)c2ccc(F)cc2F)C(=O)NC1=S	255437754	XWFRCMLKPIJHFA-SRMXYGTFSA-N	367.421	2.399	10	10	FECE	
CCS(=O)(=O)[C@@H]1CCN(Cc2ccc(C)c(Br)c2O)C1	2380709388	WPVBLMVKOSHWSN-GFCCVEGCSA-N	362.289	2.472	10	10	FECE	
C[C@H](NC(=O)N1CCO[C@H](C(F)F)C1)c1ccc(N2CCOCC2)cc1	801001669	NRCKMPMXKNPBDN-BBRMVZONSA-N	369.412	2.260	10	10	FECE	
CN(C(=O)CN1CC(C2(NC(=O)OC(C)(C)C)CC2)C1)c1ccc(N)cc1	2163047460	HQFYBNMFEUVIDQ-UHFFFAOYSA-N	374.485	2.221	10	10	FECE	
Nc1cc2c(cc1N1CCC[C@H](CNC(=O)C(F)(F)F)C1)CCC(=O)N2	2163116190	OKKHJMGNHFREBW-SNVBAGLBSA-N	370.375	2.048	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccc(O)c(O)c1)C(F)(F)F	813489682	BVSPDHOUIARFOP-NSHDSACASA-N	364.320	2.170	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)NCc3ccc(C)cc3)C2)cc1	826627653	QUOPSCGZTQACJL-QGZVFWFLSA-N	367.449	2.015	10	10	FECE	
CO[C@@H](CS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CC1	827019453	SPOZZZILNTXXDI-SFHVURJKSA-N	352.500	2.472	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCN1C1CCOCC1	919080721	FRENOVARRSNIKT-LJQANCHMSA-N	360.502	2.114	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3nnc(-c4ccco4)o3)C2)cc1	912292705	PIKPAFOAFSXZQM-GFCCVEGCSA-N	354.366	2.347	10	10	FECE	
C[C@@H](NC(=O)N1CCOC[C@@H]1c1ccnn1C)c1ccc(N(C)C)cc1	845126122	WJDXLXJRITYJNQ-RDTXWAMCSA-N	357.458	2.330	10	10	FECE	
CN(C)c1ccc(CN(C)S(=O)(=O)C[C@@]23CCCN(CC2)C3)cc1	913860268	IRBMXCCQHFBMKY-SFHVURJKSA-N	351.516	2.000	10	10	FECE	
CC(C)(C)OC(=O)[C@@]1(C(=O)NCc2ccc3cccnc3c2O)CCCO1	911261133	AJXXRVQMNAAGFG-FQEVSTJZSA-N	372.421	2.448	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)c3c[nH]c4ncccc34)C2)cc1	849415528	BMLNBOXOAUNNTQ-CYBMUJFWSA-N	372.450	2.129	10	10	FECE	
COC(=O)CCNC(=O)CCN[C@H](C)c1cccc(C(F)(F)F)c1O	858541976	QQVVFCFPBLJYLS-SNVBAGLBSA-N	362.348	2.131	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)NC[C@]2(OC)CCSC2)cc1	925375145	BYGFTPXTRHEPHC-GOSISDBHSA-N	367.515	2.295	10	10	FECE	
COc1ccc(O)cc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1	856212347	JCKATHTYWZMWOW-UHFFFAOYSA-N	356.422	2.292	10	10	FECE	
C[C@H](NC(=O)N[C@H]1C[C@H](C)n2ncnc21)c1ccc(N2CCOCC2)cc1	852011811	AKJOOUZTYLSJEB-ZQIUZPCESA-N	370.457	2.181	10	10	FECE	
O=C(COc1ccc(O)cc1)NCc1ccc(N2CCC(O)CC2)cc1	856210953	CZDNPRNIAPRQJM-UHFFFAOYSA-N	356.422	2.049	10	10	FECE	
COC[C@H](CCNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)OC	852383661	HEFRUTVKQTYEFQ-QAPCUYQASA-N	351.491	2.343	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C3CC3)C(C)(C)CO)C2)cc1	854297775	WROJBJUCHQXJGT-QAPCUYQASA-N	361.486	2.370	10	10	FECE	
COC(=O)c1ccc(CC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1	855224450	GFYHROLMFWOEDR-QGZVFWFLSA-N	368.433	2.419	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3ccnc(O)c3)C2)cc1	854093336	WZLYULJQSNFLNY-ZFWWWQNUSA-N	356.426	2.435	10	10	FECE	
COC(=O)/C(=C/c1cc(F)c(N(C)C)cc1F)CN1CCC(=O)CC1	863188823	OQXWXJZCCCSGKC-MDWZMJQESA-N	352.381	2.252	10	10	FECE	
C[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccnn1C	869176082	NSNDDDYWGLADBI-OAHLLOKOSA-N	357.458	2.159	10	10	FECE	
Nc1ccc(CCNC(=O)C(=O)N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@H]32)cc1	1118866296	DZFUZVRQGLCRRO-RCCFBDPRSA-N	369.852	2.035	10	10	FECE	
CCOc1ccc(CN(CC(=O)N2CCCC2)C[C@H]2CCCO2)c(O)c1	769493485	TXRMTMNREVFSBK-GOSISDBHSA-N	362.470	2.394	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[C@H]1C=CS(=O)(=O)C1	1162113821	JXHNJYPMZYGXSO-LSDHHAIUSA-N	350.484	2.057	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C	2124151538	BVRYGYUDFGCWIR-GUTXKFCHSA-N	364.442	2.282	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)N2CCC[C@H](CN=[N+]=[N-])C2)C1	2124509837	PPIODWYFEIVDCC-ZIAGYGMSSA-N	366.466	2.134	10	10	FECE	
COC(=O)/C=C/c1ccc(N(CC(=O)OC)CC(C)C)c([N+](=O)[O-])c1	1253782297	HQQKMIPBLZZXBF-SOFGYWHQSA-N	350.371	2.416	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC(CNC(=O)c3cccc(O)c3O)C2)C1	2121060357	DUQODAUIOOFODI-UHFFFAOYSA-N	362.426	2.475	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@@H]3CC[C@H]4CN(C)C[C@H]43)CC2)cc1	1346660499	OJYOUFVGYSIIER-PWIZWCRZSA-N	372.513	2.257	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)CCCCC(=O)OC	1299699091	NYISAHTYTZLBDH-UHFFFAOYSA-N	351.399	2.017	10	10	FECE	
CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1	1293692226	UWVNSBPIMRWJIJ-GHMZBOCLSA-N	369.464	2.398	10	10	FECE	
CN(C)CCSc1nc(CC(=O)NCc2ccccc2O)cs1	1465990161	DEZIGGOTDZRURK-UHFFFAOYSA-N	351.497	2.361	10	10	FECE	
CCN[C@H](c1ccccc1O)[C@]1(O)COCCN(C(=O)OC(C)(C)C)C1	1922473871	AWRIAMUPJFYKQW-VQIMIIECSA-N	366.458	2.041	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COC(C)(C)[C@H]1NCCc1ccc(O)c(O)c1	2136996755	QFUZXIVOINTBOC-BBRMVZONSA-N	366.458	2.301	10	10	FECE	
C[C@@H]1CC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CS1(=O)=O	1639978139	URGJJICGJXDAEA-PSASIEDQSA-N	355.437	2.008	10	10	FECE	
O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)NC1=NCCS1	1236464	NMHCXYSQDOPRRW-DHZHZOJOSA-N	363.489	2.107	10	10	FECE	
CC(C)COC(=O)N1CCC(C(=O)NCc2c(O)cccc2O)CC1	1639289370	OVJNEGXBRJIXGA-UHFFFAOYSA-N	350.415	2.219	10	10	FECE	
COc1ccc(-c2cc(C(=O)NCc3cccc(O)c3O)n[nH]2)c(OC)c1	1644708919	VIIRBXMQKOFVMA-UHFFFAOYSA-N	369.377	2.435	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CC(=O)NCc1cccc(O)c1O)C(F)F	1651175611	FRFCBPZOSYDQHG-SNVBAGLBSA-N	360.357	2.263	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)NCC(C)(C)C(C)(C)O)N(C)C)cc1	1682545606	BEFWPYQKUIKLNJ-KRWDZBQOSA-N	364.534	2.452	10	10	FECE	
COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C/c1ccc(C(=O)O)cc1	5824023	BXYLTZUZKYRKJU-VGVSSDJJSA-N	371.389	2.236	10	10	FECE	
COCC1=CCN(c2cc3c(cc2Br)[C@H](N)C(=O)N3)CC1	167793966	BOPRUAGOSHNPSU-AWEZNQCLSA-N	352.232	2.184	10	10	FECE	
CCOc1ccc(-n2c(C)cc(C(=O)Cn3cc(CON)nn3)c2C)cc1	881039269	CXIWRLATYBRFLY-UHFFFAOYSA-N	369.425	2.358	10	10	FECE	
O=C1Nc2cc(N3CC(C(F)(F)F)C3)c(Br)cc2[C@H]1O	2152274942	YJSBQCYMOWFOCA-SNVBAGLBSA-N	351.122	2.433	10	10	FECE	
CN(C(=O)CN(C1CC1)C1CN(C(=O)OC(C)(C)C)C1)c1ccc(N)cc1	2163025423	AIOLZJLPCBEKTK-UHFFFAOYSA-N	374.485	2.315	10	10	FECE	
COc1ccc(CNC[C@H]2CN(C(=O)OC(C)(C)C)CCN2C)c(O)c1	394392438	QQGJHSQCUFBENG-HNNXBMFYSA-N	365.474	2.042	10	10	FECE	
CN[C@@H](CN1CC(CNC(=O)OC(C)(C)C)C1)c1ccc2c(c1)CCN2C	2169296865	HZWDIACPOUFTKL-SFHVURJKSA-N	374.529	2.396	10	10	FECE	
CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC(=O)N2CC(N=[N+]=[N-])C2)cc1	2180963423	XQSLVPVYVKVTRN-UHFFFAOYSA-N	374.401	2.285	10	10	FECE	
CO[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCc2ccccc2O)C1	1187405939	OFTNEENPYMWKGF-HUUCEWRRSA-N	364.442	2.423	10	10	FECE	
CCN[C@@H](c1ccccc1O)c1nn(C)cc1I	2057538475	ZCOARHAVZYIMMW-LBPRGKRZSA-N	357.195	2.429	10	10	FECE	
Cn1cc(C(=O)NCCCCN=[N+]=[N-])c(CNC(=O)OC(C)(C)C)n1	2060636742	AYSLHLHDIRPPIN-UHFFFAOYSA-N	351.411	2.265	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](CNCc2cccc(O)c2O)C[C@@H]2COC[C@H]21	2097563962	AETORRLYIBBGIE-QLFBSQMISA-N	364.442	2.212	10	10	FECE	
CCN(CC)c1ccc(C=C2C(=O)NC(=O)N(C[C@@H]3CCCO3)C2=O)cc1	2296732992	JMMZNRHHHLCSTO-INIZCTEOSA-N	371.437	2.174	10	10	FECE	
Cc1cc(C=C2SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)ccc1F	2323831428	LMQHFSVYTPYIPX-JTQLQIEISA-N	369.395	2.263	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@]1(COC)C=CCN1C(=O)OC(C)(C)C	2315986542	FIAGCBXEAZXBHB-MRXNPFEDSA-N	353.423	2.337	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)NCCCSc2nccs2)c1	114375330	FFYLZPNNCRABHQ-ONEGZZNKSA-N	362.480	2.210	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CCC[C@H](NC(C)=O)C2)c1O	77444327	CEDHAOFZWDAOQV-HNNXBMFYSA-N	356.422	2.433	10	10	FECE	
Cc1ccc(CN(C)C(=O)[C@H]2CSC(=O)N2)c(O)c1Br	2380774563	GDAVNJHUPUJAAJ-SECBINFHSA-N	359.245	2.247	10	10	FECE	
Cc1ccc(CNC2=C(Cl)C(=O)N(C)C2=O)c(O)c1Br	2381131374	MSXKZUFDUFXSKF-UHFFFAOYSA-N	359.607	2.002	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCCC12OCCO2	806506081	JISYKNNACUSVMQ-KRWDZBQOSA-N	362.495	2.399	10	10	FECE	
CC(=O)C(=O)COC(=O)c1nn(-c2ccc(F)cc2)cc1Br	808518844	ISWPYSSPFOTZIL-UHFFFAOYSA-N	369.146	2.089	10	10	FECE	
Cc1nc([C@@](C)(NCC(=O)N(C)Cc2ccc(N(C)C)cc2)C2CC2)no1	814671036	OMSQSKPFFJHNSW-FQEVSTJZSA-N	371.485	2.317	10	10	FECE	
Cc1c(Cl)c(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)nn1C	817707840	PAYBJDQSTQCCTL-RMKNXTFCSA-N	359.860	2.448	10	10	FECE	
Cc1cc(CC(=O)NCC2(C(N)=O)CCOCC2)c(C)n1-c1ccccc1	821785860	SASSJCHPCVNNKK-UHFFFAOYSA-N	369.465	2.035	10	10	FECE	
Oc1cc(Br)ccc1CN1CCC(N2CC[C@H](O)C2)CC1	827698649	ADTMYXPUBVOMRF-HNNXBMFYSA-N	355.276	2.186	10	10	FECE	
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)n1	588408028	WQEOLVRBKMHJGB-QKIRZYONSA-N	356.426	2.258	10	10	FECE	
Cc1nc(C)c([C@@H](C)N(C)Cc2cc(O)n3ncc(C(=O)O)c3n2)s1	738348303	HOMZPSSZOIVRKI-SECBINFHSA-N	361.427	2.399	10	10	FECE	
CC(C)N1C(=O)CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1(C)C	743858920	CDXKQXCBMBOIMS-UHFFFAOYSA-N	374.529	2.042	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NC[C@@H](O)c2cnn(C)c2)c1O	848529464	NWXDCUISQOHSPD-NOZJJQNGSA-N	370.247	2.281	10	10	FECE	
O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H]1CC[C@H](C(F)(F)F)O1	925178107	RUXJZMHYKCQAFK-WCQYABFASA-N	358.316	2.266	10	10	FECE	
C[C@@H](NC(=O)C(=O)N[C@@H](C1CCOCC1)C1CC1)c1ccc(N(C)C)cc1	846735332	QDUTYBXDMTUFSE-AUUYWEPGSA-N	373.497	2.251	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H](C)n4ccnc43)C2)cc1	852372487	CDIYLELMOHFRBT-ZQIUZPCESA-N	355.442	2.476	10	10	FECE	
C[C@H](NCC[C@H]1CNCCS1(=O)=O)c1cc(Cl)c(Cl)cc1O	925788569	KEOKEZPQPHTBBD-UWVGGRQHSA-N	367.298	2.126	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC[C@@H]2CC2(Cl)Cl)c1	857378591	IJUOROYAEIFKJH-MRVPVSSYSA-N	367.254	2.077	10	10	FECE	
CC[C@@H](C)N1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	854296109	BSLHGYINFVZCCK-SJORKVTESA-N	360.502	2.400	10	10	FECE	
Cn1nccc1[C@H]1COCCN1Cc1c(O)cccc1Br	862403088	VGQZXJPCDGVLIO-CQSZACIVSA-N	352.232	2.462	10	10	FECE	
CNC(=O)CCOC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	770286078	JDPOBKIQGXUEBY-UHFFFAOYSA-N	371.821	2.071	10	10	FECE	
COC[C@@](C)(NCC(=O)N(C)Cc1ccc(N(C)C)cc1)C(F)(F)F	782176007	MFLGXPAWTHTZCB-MRXNPFEDSA-N	361.408	2.268	10	10	FECE	
COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)c(OC)c2)c(C)cc1F	793429334	FRCDSHHCXVRACB-UHFFFAOYSA-N	369.370	2.436	10	10	FECE	
C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[C@H]1NC(=O)OC(C)(C)C	1147735623	UZUOFEHXNZGGJI-TZMCWYRMSA-N	364.442	2.402	10	10	FECE	
COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)c2ccc(C)c(O)c2O)C1	1147229832	ZESVTSRZZZTJOT-VHSXEESVSA-N	361.316	2.220	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCCc2nc3c(s2)COCC3)cc1	1157382833	YPGXDKJMGDYASN-UHFFFAOYSA-N	359.411	2.351	10	10	FECE	
Cn1ncc(C(=O)N2CCC(N=[N+]=[N-])CC2)c1CNC(=O)OC(C)(C)C	2124503869	QQXLDINBVGWTDU-UHFFFAOYSA-N	363.422	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H](F)[C@H](CO)C3)ccc(N)c2C1	2120625367	CYQPVTAMXGGPRA-SWLSCSKDSA-N	365.449	2.329	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1	1330352377	JCTXPSXJSSKVDN-ROUUACIJSA-N	368.433	2.040	10	10	FECE	
O=C(COCc1ccnc(O)c1)NCc1cccc(Br)c1O	1297438735	CGKDHZHKDJBPFP-UHFFFAOYSA-N	367.199	2.088	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CN(C)[C@@H]1CCC[C@H]1O	1539337545	XJBMIGBHPJWULS-WOJBJXKFSA-N	359.514	2.481	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2ccc(NC(C)=O)cn2)cc1	1616533310	IBGBOBJKKCTLCW-UHFFFAOYSA-N	356.426	2.257	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)[C@@H](O)c1cccc(Br)c1	1622664231	MJFBRGJPGDDDRM-AWEZNQCLSA-N	352.184	2.210	10	10	FECE	
COC(=O)CCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S	1297755	CNGOIPKGVXLCSY-FLIBITNWSA-N	352.393	2.359	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)c1cc2c(nc1O)CCC[C@@H]2O	1639624906	OUWVBCAHWZRODU-INIZCTEOSA-N	365.389	2.341	10	10	FECE	
CC(C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@]1(C)CN(C)C1=O	1723145355	YOLLSHPFGJKNJH-LJQANCHMSA-N	357.458	2.222	10	10	FECE	
COC(=O)[C@H]1c2ccccc2OCCN1C(=O)/C=C/c1ccc(O)c(O)c1	1648217054	HSFHUHXVUYULKW-QRBZPYHOSA-N	369.373	2.246	10	10	FECE	
CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NCc1c(O)cccc1O	1645363478	WRJAHKQJGURLOO-LLVKDONJSA-N	354.428	2.024	10	10	FECE	
CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1Cc1ncn(C)n1	1743567327	RRGSOQOGHOQZSU-CYBMUJFWSA-N	355.446	2.310	10	10	FECE	
COc1ccc(CNC(=O)/C=C/C(=O)N[C@H](C)c2ccccc2O)cc1	1587446912	BVJYEWIICPMVCJ-GCZGRYASSA-N	354.406	2.451	10	10	FECE	
C[C@H](NC(=O)c1cn(C)[nH]c1=NC(=O)OC(C)(C)C)c1ccccc1O	1877573078	GGQFZRGGJXEYOY-NSHDSACASA-N	360.414	2.386	10	10	FECE	
COCCOCCN(Cc1ccccc1)c1cc2c(cc1F)[C@@H](O)C(=O)N2	2152215191	PRNRKUBFNHOBRD-LJQANCHMSA-N	374.412	2.481	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N[C@@H](C)c1ccc(O)cc1O	2058681595	XOQUCCDDLJDPRR-SGIREYDYSA-N	352.431	2.383	10	10	FECE	
CN1CCc2cc([C@@H](CN)N3C[C@H]4C[C@H]3CN4C(=O)OC(C)(C)C)ccc21	2194787930	GLCJVFTYYFKAGH-YQVWRLOYSA-N	372.513	2.372	10	10	FECE	
CN(Cc1ccccc1)[C@]1(CNCc2ccc(O)c(O)c2O)CCOC1	2098950973	MTQRIZWLUZNNDV-FQEVSTJZSA-N	358.438	2.184	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-]	2218745717	NRTZNACDEODRQA-RWMBFGLXSA-N	353.423	2.360	10	10	FECE	
COc1ccc(N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c(CN)c1	2227673052	MIJBTSXNKMGJPG-NRFANRHFSA-N	355.482	2.227	10	10	FECE	
Cc1ccc(C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1	2296725963	CMEHPBNSDKSYTO-LBPRGKRZSA-N	353.490	2.383	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)NC1CCN(Cc2ccccn2)CC1	2307986190	FEYBUCQUGJKQCW-UHFFFAOYSA-N	353.422	2.287	10	10	FECE	
CN(C)CCOc1ccc(CNC(=O)C=Cc2ccc(O)c(O)c2)cc1	2308000786	RNVLEQMYCHNIMJ-UHFFFAOYSA-N	356.422	2.368	10	10	FECE	
COc1ccc(N2CCCN(S(=O)(=O)N3CCC[C@H](C)C3)CC2)cc1	56128655	MRTDQAYPAVLJGX-INIZCTEOSA-N	367.515	2.184	10	10	FECE	
COc1ccc(N2CCN(C(=O)Nc3ccc(C(N)=O)c(C)c3)CC2)cc1	171894042	CDKWRTJQFHHABL-UHFFFAOYSA-N	368.437	2.457	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC[C@H](CCC(N)=O)C2)c([N+](=O)[O-])c1	170710166	ICXMDVQEMLHPBZ-VIIAAUOXSA-N	361.398	2.263	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCCCN1C(=O)c1cccnc1	120245019	SIKZSXBCPZDTOC-KRWDZBQOSA-N	353.422	2.441	10	10	FECE	
CCCCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(N(C)C)cc1	40980462	MGHHSNLDXXTPJZ-MRXNPFEDSA-N	356.430	2.371	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCN(C/C=C/c2ccccc2)CC1	243148091	JMVGGWBJBZVFPY-UHFFFAOYSA-N	352.434	2.498	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1	364938483	COVDANHEQLKFLA-JYJNAYRXSA-N	368.437	2.342	10	10	FECE	
Cc1ccc(CN(C)CC2(S(C)(=O)=O)CC2)c(O)c1Br	2381142076	IJQDQFAMSZMINT-UHFFFAOYSA-N	362.289	2.472	10	10	FECE	
COC(=O)c1cnc(SCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)s1	295303227	MNGIJBDIVWPUTF-WDEREUQCSA-N	356.469	2.192	10	10	FECE	
CCCN(Cc1cc(C)cc(Br)c1O)[C@H]1CC(=O)N(C)C1=O	802656217	MACABHREEWUVSL-ZDUSSCGKSA-N	369.259	2.432	10	10	FECE	
CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)NCCCSc1nccs1	806958338	GTGZFWIQCIXMEL-RYUDHWBXSA-N	361.533	2.083	10	10	FECE	
O=C1COC[C@H](C[C@@H]2CN(C(=O)c3cc(O)cs3)c3ccccc32)N1	807800590	JIEHVODBJPIVTK-NEPJUHHUSA-N	358.419	2.103	10	10	FECE	
CN(C)c1ccc([C@H](N)[C@H]2Cn3cnnc3CN2C(=O)OC(C)(C)C)cc1	2163130145	FEPCBUWMQKWJJO-WBVHZDCISA-N	372.473	2.163	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CCOC[C@H]3CC3CCC3)nc12	815292903	VEBFEYUITFVTGP-OAHLLOKOSA-N	374.441	2.003	10	10	FECE	
CN(C[C@@H]1CCCCO1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	823559183	FFWRZBCPMBCCOD-IBGZPJMESA-N	361.486	2.358	10	10	FECE	
Oc1nc2cccc(N3CCN(Cc4cc5c(cc4O)OCO5)CC3)c2[nH]1	905744681	LQZZNSCOHKDXRQ-UHFFFAOYSA-N	368.393	2.025	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc([C@@H]2CCC(=O)N2)cc1	907275031	VHBJADOJLXRVRX-WBMJQRKESA-N	354.406	2.410	10	10	FECE	
Cc1cc(C(=O)CN2CCC[C@H]2CO)c(C)n1-c1ccc2c(c1)OCO2	749843772	FCJGTYMNNQHGOS-INIZCTEOSA-N	356.422	2.462	10	10	FECE	
C[C@@H]1CC[C@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CS1	848531167	ODRYUAMIZWILLN-ZBFHGGJFSA-N	354.541	2.295	10	10	FECE	
O=C(O)/C=C/c1ccc(N2CCC([C@H](O)c3ncc[nH]3)CC2)c([N+](=O)[O-])c1	844213776	LXJIUNRUWDNBIN-WVMJFEGXSA-N	372.381	2.366	10	10	FECE	
CCc1nccn1[C@@H](C)CC(=O)NCc1ccc(N2CCN(C)CC2)cc1	918838296	DTOPSGHOKVDITJ-KRWDZBQOSA-N	369.513	2.465	10	10	FECE	
COCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(O)cccc1F	928710305	JYEACKLKOQULCC-ZDUSSCGKSA-N	356.394	2.077	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC3CCN(C(C)C)CC3)C2)cc1	851924182	XUPHAOVODSDRJZ-QGZVFWFLSA-N	360.502	2.446	10	10	FECE	
COc1ccc(N2CCN(CCCN[C@H]3[C@H](C)COC[C@@H]3C)CC2)cc1	924580878	XQKKQZGVTOOVEQ-WGMWDUQUSA-N	361.530	2.468	10	10	FECE	
CN(C)c1ccc(CN(C(=O)N[C@@H]2CCc3nnn(C)c3C2)C2CC2)cc1	927851781	YIKTZWJMKCGSQX-OAHLLOKOSA-N	368.485	2.113	10	10	FECE	
COC(=O)/C=C/c1ccc(S(=O)(=O)N(C)Cc2ccccc2O)cc1	751238925	FXVJFDCAXZLKTP-FMIVXFBMSA-N	361.419	2.399	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCN(C[C@@H](C)O)CC1	859245738	BBTKVFMWJLBYIN-MRXNPFEDSA-N	369.465	2.045	10	10	FECE	
O=S(=O)(CC1CC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	751374500	YDRKQVNBTCKORC-OAHLLOKOSA-N	358.891	2.339	10	10	FECE	
CNS(=O)(=O)C[C@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1	860196840	KXIWBFJCZRQOSI-LBPRGKRZSA-N	374.890	2.009	10	10	FECE	
CCC1(NC(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)CCC1	778307900	RTULSIKFPPLTKQ-KTKRTIGZSA-N	371.481	2.349	10	10	FECE	
Cc1c(NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cccc1N(C)C	785302739	FPMCCRSNMLWMPJ-LBPRGKRZSA-N	371.437	2.158	10	10	FECE	
CC(=O)c1cn(C2CN(Cc3ccc(Br)cc3O)C2)nn1	897941392	ZNVIGOBGAQHHGT-UHFFFAOYSA-N	351.204	2.006	10	10	FECE	
Cn1ccnc1[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(O)c(O)c1	1144701606	GINWQQIYNJUNRZ-MRXNPFEDSA-N	351.406	2.474	10	10	FECE	
Cc1c(C(=O)NCc2cc(O)ccc2O)nnn1Cc1ccc(F)cc1	1153885080	KKMCRPUPQLLWRS-UHFFFAOYSA-N	356.357	2.115	10	10	FECE	
Cc1nnc(N(C)C[C@H]2CCCO2)n1Cc1ccc(N2CCOCC2)cc1	1304802100	LELWXSBWIUVBGR-LJQANCHMSA-N	371.485	2.087	10	10	FECE	
O=C(NCC(=O)N1CCCCc2ccccc21)c1c(F)ccc(O)c1O	1184394022	RQOVAAMZRGPGEN-UHFFFAOYSA-N	358.369	2.336	10	10	FECE	
CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N3CC[C@@H](CN=[N+]=[N-])C3)c21	2124512906	OVEURERPGOZERB-NSHDSACASA-N	361.406	2.411	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)C1(CNC(=O)OC(C)(C)C)COC1	2131489970	DIVFYIFPHSHBKT-QGZVFWFLSA-N	361.486	2.481	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)C(=O)c2ccc(F)cc2)N(C)C)cc1	1463285677	VKXZRQLGCQJZEX-SFHVURJKSA-N	357.429	2.494	10	10	FECE	
CCCCCCN(CCN1CCOCC1)C(=O)Cc1ccc(O)c(O)c1	1464530291	PNYLUFNHODAHNV-UHFFFAOYSA-N	364.486	2.381	10	10	FECE	
COc1ccc(O)c([C@@H](C)NCC2(O)CN(C(=O)OC(C)(C)C)C2)c1	1918693207	GCOGYBOQSKPZCO-GFCCVEGCSA-N	352.431	2.033	10	10	FECE	
Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)Cc3ccc(O)c(O)c3)C2)n1	1464323566	URGJIMACMCYHEW-HNNXBMFYSA-N	369.421	2.221	10	10	FECE	
CC[C@@H]1C[C@@H]1NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136257808	CMOBKLWVBOBNEC-RDBSUJKOSA-N	364.442	2.448	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CCS1(=O)=O	1558517649	LDAZYFIRKGFPHN-SCZZXKLOSA-N	355.437	2.008	10	10	FECE	
COC(=O)[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)c2ccccc2O1	1629353927	CXKSLMINKVNNOG-OAHLLOKOSA-N	368.349	2.430	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCc1c(O)ccc2ccccc12	1639388240	ZJQUJMMFCFLVLO-OAHLLOKOSA-N	360.410	2.047	10	10	FECE	
C[C@H](NC(=O)[C@H]1CC(C(=O)OC(C)(C)C)=NO1)c1ccc(N(C)C)cc1	1634447966	FLFUVKKWQJENIC-BLLLJJGKSA-N	361.442	2.416	10	10	FECE	
C[C@H]1CN=C(N2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC2)S1	1565742092	XQYYCNVNPVMMBA-NSHDSACASA-N	360.443	2.098	10	10	FECE	
COC(=O)c1ncn(CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)n1	1656249691	LCSSECQFFVVFDM-UHFFFAOYSA-N	373.800	2.404	10	10	FECE	
CCN(CC(=O)NCc1ccc(N(C)C)cc1)[C@@H](CO)c1ccccc1	1654616831	PAGDPPFJHITMOV-FQEVSTJZSA-N	355.482	2.424	10	10	FECE	
COC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)/C=C\c1scnc1C	1595590039	GTOILBNRLMTBGS-WAYWQWQTSA-N	357.391	2.237	10	10	FECE	
CSCC[C@H](N)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1865920879	XJDYSZAETQYVEH-AWEZNQCLSA-N	354.431	2.481	10	10	FECE	
CON(CCNCc1ccc(N2CCOCC2)cc1)C(=O)OC(C)(C)C	1963488129	IVCPXLAUCLWYPN-UHFFFAOYSA-N	365.474	2.411	10	10	FECE	
CC1(CNCc2cccc(Br)c2O)CCS(=O)(=O)CC1	1967871335	ZYYQKRJOHCCNOT-UHFFFAOYSA-N	362.289	2.459	10	10	FECE	
CN(Cc1cc(Cl)cc(Br)c1O)[C@H]1COC[C@@H]1C(=O)O	708089884	MROAQOCTQHGCQJ-ONGXEEELSA-N	364.623	2.340	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](CNCc2ccc3c(c2)CCCO3)[C@@H](O)C1	2087536398	RUPAPDSOGREVLR-IRXDYDNUSA-N	362.470	2.329	10	10	FECE	
CNC(=O)CN(Cc1ccccc1)c1cc2c(cc1Cl)[C@H](NC)C(=O)N2	2095920164	YWIGWPYJWRWEKI-SFHVURJKSA-N	372.856	2.305	10	10	FECE	
C[C@@H](NCCn1cc(I)cn1)c1cc(O)ccc1O	2097158713	OOPAWNMWOQKHEF-SECBINFHSA-N	373.194	2.250	10	10	FECE	
CC(C)S(=O)(=O)CCN(C)c1ccc(CO)c(Br)c1	2114069160	CESFWPIXVDKCIE-UHFFFAOYSA-N	350.278	2.201	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@]1(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])CCOC1	2218747529	XENPZPSCZVCVCI-XHBSWPGZSA-N	353.423	2.360	10	10	FECE	
CN[C@H](c1ccccc1O)[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1	2265106919	ANJCXGMGDMIHST-LTIDMASMSA-N	364.442	2.056	10	10	FECE	
O=C(O)CC[C@@H](C(=O)O)N1C(=O)C(=CC=Cc2ccco2)SC1=S	2296262882	JKZNDTLNXHXHKA-JTQLQIEISA-N	367.404	2.355	10	10	FECE	
COc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1O	2297327174	PDEGQMNSDGDECU-UHFFFAOYSA-N	352.346	2.376	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NCc3ccc(O)c(O)c3)C[C@H]21	2343109072	URGWYXSSYMJPHY-JJRVBVJISA-N	364.442	2.354	10	10	FECE	
COc1cccc(C(=O)N2CCN(c3ccc4c(c3)CC(=O)N4)CC2)c1	62575921	AAVNBKRIGVPFNR-UHFFFAOYSA-N	351.406	2.152	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)c1	74612908	NEPUAENVVSTVIL-KBPBESRZSA-N	373.457	2.164	10	10	FECE	
CCn1cc(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)cn1	92126464	PCNQRKMXCDJRNB-UHFFFAOYSA-N	367.497	2.365	10	10	FECE	
C[C@H]1CCCN(S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1	245775006	ABCXLVQSAYIHBG-DOTOQJQBSA-N	368.499	2.350	10	10	FECE	
CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H](C)c1cccnc1	271375784	ZVNWHLCJBNWRSA-LBPRGKRZSA-N	363.439	2.382	10	10	FECE	
CN(CCCCO)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	276379897	LCVRHADVTGZWBQ-UHFFFAOYSA-N	366.417	2.105	10	10	FECE	
CN1CCCc2cc(CNC[C@H](O)COc3ccc4c(c3)OCO4)ccc21	727644471	GDEACBAPTOMLOD-KRWDZBQOSA-N	370.449	2.327	10	10	FECE	
Cc1cc(CC(=O)N[C@]2(C)CCS(=O)(=O)C2)c(C)n1-c1ccccc1	820452733	WJSWXHZBIJQTGP-LJQANCHMSA-N	360.479	2.330	10	10	FECE	
O=C(O)/C=C\c1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)co1	901960887	LCKMAAWGOTZHSY-RQOWECAXSA-N	374.368	2.283	10	10	FECE	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2nnn(C)n2)cc1	900646597	FWPQMGWJTLBXQR-UHFFFAOYSA-N	366.425	2.132	10	10	FECE	
Cc1cnc(CCNC(=O)NCc2cc(Br)ccc2O)cn1	836686521	HECPNISBMDYICG-UHFFFAOYSA-N	365.231	2.295	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3[nH]ccc3C3CC3)CC2)cc1	837374097	QHCFRWBUJCUXFH-UHFFFAOYSA-N	368.481	2.453	10	10	FECE	
C[C@@H](NC(=O)C(=O)N[C@H]1CNc2ccccc2C1)c1ccc(N(C)C)cc1	846342768	HCGKESSWHABYDE-RHSMWYFYSA-N	366.465	2.083	10	10	FECE	
CCOCCCn1c(-c2cn[nH]c2)nnc1N(C)Cc1ccccc1O	859027927	JIUCVMYJCKVOSX-UHFFFAOYSA-N	356.430	2.437	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@H](O)CC34CCC4)C2)cc1	852449437	SQWYFJUOKUSRAY-WBVHZDCISA-N	359.470	2.363	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)NC(c2ccnn2C)c2ccnn2C)c1	858584657	VRZKPLRGIWAGSB-LBPRGKRZSA-N	369.425	2.086	10	10	FECE	
CCON1CCC(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1	854198114	DNAYFMADXKGKCY-UHFFFAOYSA-N	361.486	2.397	10	10	FECE	
C[C@H](NC(=O)N1CCCc2n[nH]cc2C1)c1ccc(N2CCOCC2)cc1	852970781	XWRVLYZDWYAIQT-HNNXBMFYSA-N	369.469	2.465	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3c(N)cccc3[N+](=O)[O-])C2)cc1	855225436	IXTIOAFUUXCEQR-LBPRGKRZSA-N	356.382	2.194	10	10	FECE	
CC(C)C1(S(=O)(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1	866543260	NSUAENOEJWROBV-UHFFFAOYSA-N	356.463	2.270	10	10	FECE	
COC(=O)c1c(CN[C@@H](C)[C@H](CO)SC)c2cc(F)ccc2n1C	894279813	AJVRPEKXTWROQY-BONVTDFDSA-N	354.447	2.306	10	10	FECE	
COc1ccc([C@H](C)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c(O)c1	2116262305	PYRTXVLRTVWULM-MJEQTWJJSA-N	366.458	2.422	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NCC[C@@H]2CC2(F)F)cc1	1334672280	GEZDAJBPSVHVMC-CQSZACIVSA-N	353.413	2.311	10	10	FECE	
CN(CCCOCc1ccccc1)C(=O)C(=O)N1Cc2cccc(O)c2C1	1332041913	RUQGGEWDSVKVNF-UHFFFAOYSA-N	368.433	2.300	10	10	FECE	
C[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)[C@H](C)CN1C(=O)OC(C)(C)C	2132404365	RFDKXKZFWIODDF-MNOVXSKESA-N	366.414	2.273	10	10	FECE	
C[C@@H](Cc1ccco1)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	1353733110	HUMXDPLBBDFIDW-HNNXBMFYSA-N	369.465	2.476	10	10	FECE	
CN1CCc2cc([C@H](O)[C@@H](NC(=O)OCc3ccccc3)C(=O)O)ccc21	1917195393	SAOACJICTIAFGN-MSOLQXFVSA-N	370.405	2.092	10	10	FECE	
C[C@H](N[C@H](C)c1c(O)cccc1O)C1(O)CN(C(=O)OC(C)(C)C)C1	1918670913	MYNLMXBSMGNADC-NEPJUHHUSA-N	352.431	2.119	10	10	FECE	
COC(=O)[C@@H]1CN(C)CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1	1557055831	DWLQVXONMOUKNU-GOSISDBHSA-N	369.465	2.271	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)OCCC(C)C	1633473306	MHXBXGYVIHKGFV-ZFWWWQNUSA-N	367.442	2.139	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)NCc2cccc(O)c2O)C1(F)F	1643812638	NHKAZKCEXOGKQW-ZYHUDNBSSA-N	372.368	2.120	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1COC[C@H]1OC	1683184858	LVOWXFICVYQQMO-GXTWGEPZSA-N	373.247	2.100	10	10	FECE	
CC[C@H]1SC(=S)N(CC(=O)Nc2cc(OC)ccc2OC)C1=O	11635657	AQYUQPABTYYPCI-GFCCVEGCSA-N	354.453	2.281	10	10	FECE	
COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1	6172127	ZALRTAMZVMDKLS-VGVSSDJJSA-N	372.377	2.446	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1	1860309572	GLEXCGSPQQQSDB-ZDUSSCGKSA-N	374.824	2.463	10	10	FECE	
CN1CCc2cc([C@H](CN)N3C[C@H]4C(NC(=O)OC(C)(C)C)[C@@H]4C3)ccc21	2195182430	AKNVEASFGKBPOL-NUJGCVRESA-N	372.513	2.134	10	10	FECE	
COC1CC(NC(=O)OC(C)(C)C)(C(=O)NCC2(CN=[N+]=[N-])CC2)C1	2060637056	GDFBTQVDQFBXHK-UHFFFAOYSA-N	353.423	2.265	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(CCC(=O)Nc2ccc(N)cc2)[C@@H]2C[C@H]21	2106763479	GKUXRQAFGGUIKK-HZPDHXFCSA-N	360.458	2.291	10	10	FECE	
CCN[C@@H]1C(=O)Nc2cc(N(CC(=O)NC)Cc3ccccc3)ccc21	2095917939	AHOHQLPQMRRDML-IBGZPJMESA-N	352.438	2.042	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-]	2218745348	MENLOMNZXNJVQS-ZDEQEGDKSA-N	353.423	2.216	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@]12CCO[C@@H]1CN(C(=O)OC(C)(C)C)C2	2264329055	UTQIEHHZRPXIKG-WBMJQRKESA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](CNCc2cc(F)ccc2O)N2CC[C@H]1C2	2342845045	DAGYDSROFLJOSE-JKSUJKDBSA-N	365.449	2.315	10	10	FECE	
C[C@H](NCCN1CCOCC1(C)C)c1ccc(N2CCC(O)CC2)cc1	178597188	RINNGFZARHFEBO-KRWDZBQOSA-N	361.530	2.409	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1	115280137	YHUKGDTZWKDBBU-ICSRJNTNSA-N	366.465	2.292	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)cc1	70871380	FHZDJDADHZQWSP-UHFFFAOYSA-N	357.366	2.271	10	10	FECE	
COC(=O)CCN1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC1=S	98031553	CKNQNUYNRAAFDB-YRNVUSSQSA-N	368.392	2.065	10	10	FECE	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCNC1	246525469	RPHHMDUCSDYBSG-UONOGXRCSA-N	353.413	2.373	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](COC)c3ccccc3)nc12	271844359	VFKMPMCSIWJJDE-INIZCTEOSA-N	370.409	2.089	10	10	FECE	
CCNC(=O)C[C@@H]1CCCCN1C(=O)NCc1ccc(N(C)C)c(F)c1	287096852	DJBJWWZETJBOHN-HNNXBMFYSA-N	364.465	2.482	10	10	FECE	
Cc1cc(-c2nnc(N3CCNC(=O)CC3)n2C)c(C)n1-c1ccccc1	290150064	ISVUKIAPVZRQEG-UHFFFAOYSA-N	364.453	2.216	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N(C)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21	2163019076	BAEQNXNLEMPFBT-KKBVYLPWSA-N	374.485	2.393	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CCCS(=O)(=O)C1	293323430	RFAFPAAEQGJIQT-MRXNPFEDSA-N	352.500	2.316	10	10	FECE	
COC[C@@H]1CCN1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	293260641	XCLYLUYDRMUZBI-FMKPAKJESA-N	365.449	2.370	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCc2ccc(O)cc2O)C1	827732658	AAELCIZDGNIYLK-ZDUSSCGKSA-N	350.415	2.361	10	10	FECE	
Cn1cc(C[C@@H]2CCC[C@H]2N2C(=O)CN(Cc3ccccc3O)C2=O)cn1	849363748	OSESCMLETCUPTP-DOTOQJQBSA-N	368.437	2.301	10	10	FECE	
CC1(C)CCCN[C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	844173737	UEISIYDYPWWXMH-LJQANCHMSA-N	359.514	2.290	10	10	FECE	
C[C@H]1CCNC[C@@H]1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	842266727	LUDPBZKNMCKGRD-YJBOKZPZSA-N	373.497	2.168	10	10	FECE	
Cc1cc(O)c(CN2CCC[C@H](N3CCCS3(=O)=O)C2)c(Cl)c1	840941332	XHTWDPNJEYDUIH-ZDUSSCGKSA-N	358.891	2.354	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](c3ccco3)N(C)C)C2)cc1	853233322	MEVXWQXFOXHLRD-YJBOKZPZSA-N	372.469	2.469	10	10	FECE	
CCc1c(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)[nH]c(C)c1C(N)=O	855233074	DXOJZZPBFYSANF-CYBMUJFWSA-N	370.453	2.002	10	10	FECE	
O=C1N[C@@H](CC2CCOCC2)C(=O)N1Cc1ccc(N2CC=CC2)cc1	924686926	UDFVTQFKRZABFJ-SFHVURJKSA-N	355.438	2.300	10	10	FECE	
Cn1c(=O)oc2ccc(CNCc3ccc(N4CCOCC4)cc3)cc21	858294473	NBUJLJCXOQNLNR-UHFFFAOYSA-N	353.422	2.258	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cccn3C3CCNCC3)C2)cc1	852844090	PSPFKYBMTZHJMM-INIZCTEOSA-N	368.481	2.430	10	10	FECE	
CNS(=O)(=O)c1ccc(CCN[C@H](C)c2cc(OC)ccc2O)cc1	866578114	JOQQRTFIKZKYCD-CYBMUJFWSA-N	364.467	2.202	10	10	FECE	
CN1CCN(Cc2cc(Cl)cc(Br)c2O)C[C@@H]1C(=O)O	708105643	MGNFDZSVZCXGPU-LLVKDONJSA-N	363.639	2.009	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCc1ccc(OCC(F)(F)F)nc1	1141688379	PQBYVVDTDXJFSZ-UHFFFAOYSA-N	356.300	2.293	10	10	FECE	
O=C(CCCOc1ccc2c(c1)CCC(=O)N2)NCc1cccc(O)c1O	1303194103	XLGBYGGJABBDMS-UHFFFAOYSA-N	370.405	2.458	10	10	FECE	
CS(=O)(=O)Nc1ccc(C(=O)NCc2c(O)cccc2O)c(Cl)c1	1178917053	IGCQRFXNRIHDBX-UHFFFAOYSA-N	370.814	2.053	10	10	FECE	
CCn1cnnc1Cn1c(C(C)C)nnc1N(C)Cc1ccccc1O	1313852773	NFXJDPINRNGSGZ-UHFFFAOYSA-N	355.446	2.403	10	10	FECE	
COc1cc(CCC(=O)NCc2cc(O)ccc2O)cc(OC)c1OC	1176747946	GAAMDEJGPGJQQA-UHFFFAOYSA-N	361.394	2.373	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCC(CN=[N+]=[N-])CC2)C[C@@H](O)C1	2124538837	OAMGHWBCYONLEE-UONOGXRCSA-N	367.450	2.153	10	10	FECE	
CC(C)(C)OC(=O)N1CCCC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1	2132414783	ZZMPNTCGJGAZOV-GFCCVEGCSA-N	366.414	2.323	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1	2132418543	LDLFYEKYKDXHCP-VXGBXAGGSA-N	366.414	2.369	10	10	FECE	
CC(C)(C)OC(=O)CC[C@H]1C[C@H](C(=O)NCc2ccc(O)c(O)c2)CO1	1445904814	YVJZNYJRXKRPQO-KBPBESRZSA-N	365.426	2.241	10	10	FECE	
COCCN1CCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)CC1	1443419097	KQUOPDBCCPTNJE-UHFFFAOYSA-N	355.482	2.427	10	10	FECE	
CC(=O)N1C[C@H](C(=O)NCc2cccc(Cl)c2O)Oc2ccccc21	1606860790	TYZJCVPTRMKLLU-MRXNPFEDSA-N	360.797	2.476	10	10	FECE	
COc1cc(C)cc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1O	1471566238	ZECQKTPTGMNZNR-UHFFFAOYSA-N	369.465	2.391	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H](C(C)C)N1CCOCC1	1612538479	YTELGUCKGAVTPD-GOSISDBHSA-N	373.501	2.285	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H](c1cncn1C)N(C)C	1624626989	ZWDUDOZPDYLITP-IBGZPJMESA-N	355.486	2.282	10	10	FECE	
Cc1cc(CCNC(=O)NC[C@H]2COCCN2C)c(C)n1-c1ccccc1	1637409833	CYQJLIWZEKAMMB-FQEVSTJZSA-N	370.497	2.266	10	10	FECE	
CCN(CCNCc1ccc(OC)c(C)c1)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1	1568749802	QVYKBBLRBBBSKV-IAGOWNOFSA-N	356.470	2.469	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(CC2CC2)n1C[C@@]1(O)CCSC1	1747753020	ATJYVLOHCGDWGJ-IBGZPJMESA-N	374.510	2.441	10	10	FECE	
CCOC(=O)CCN(Cc1cccnc1)C(=O)Cc1ccc(O)c(O)c1	1583458956	UQWNDSGBNYHHEA-UHFFFAOYSA-N	358.394	2.017	10	10	FECE	
COc1ccc(C(=O)N2CCC[C@H]2C(=O)NCc2cc(O)ccc2O)cc1	1651225347	GJEFNJZOZGTVGF-KRWDZBQOSA-N	370.405	2.027	10	10	FECE	
COC(=O)C1(NC(=O)OC(C)(C)C)CC(NCc2cccc(C)c2O)C1	1967849097	HEQDSTSWIPHFDI-UHFFFAOYSA-N	364.442	2.389	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNCc1ccc2c(c1)CCO2	394400111	HJWIZIOLKBSYAH-KRWDZBQOSA-N	361.486	2.262	10	10	FECE	
CC1(C)C[C@H](S(C)(=O)=O)CN1c1ccc(CO)c(Br)c1	2179920731	UDUCSPNICLVJMZ-LBPRGKRZSA-N	362.289	2.343	10	10	FECE	
C[C@@H]1CN([C@@H](CN)c2ccc(N(C)C)cc2)CC[C@H]1NC(=O)C(F)(F)F	2194810905	QWNUZAYNKSGERJ-WQVCFCJDSA-N	372.435	2.141	10	10	FECE	
CN(C(=O)CN1C[C@@H]2C[C@@H]2[C@@H]1CNC(=O)OC(C)(C)C)c1ccc(N)cc1	2198986174	ZYXYWSSLPVYPFO-JQFCIGGWSA-N	374.485	2.077	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](C2CC2)[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1	2049782897	OHFKNPQANJMDII-PCBIJLKTSA-N	350.459	2.288	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@](F)(CNC(=O)c2cccc(O)c2O)C1	2054419122	ZNIBQADFWHVPNI-UJYYRWPFSA-N	354.378	2.223	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2060619944	TULIMJCKEISFFA-VXGBXAGGSA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@H](Nc2c(N)cccc2C(=O)O)CCO1	2108837823	LTAQRBHKKUIYIY-VXGBXAGGSA-N	365.430	2.451	10	10	FECE	
CC(C)n1cnnc1CNC(=O)C=Cc1ccc(N2CCOCC2)cc1	2297544070	KIQNDVVMDRRVOJ-UHFFFAOYSA-N	355.442	2.025	10	10	FECE	
CCOC(=O)[C@H]1CCCN1C(=O)C=Cc1ccc(N2CCOCC2)cc1	2307536383	CUHVYJOARAXROZ-GOSISDBHSA-N	358.438	2.091	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)N[C@@H]3CCC[C@H]3N=[N+]=[N-])CO[C@H]1C2	2334200683	UPPSFSUWGGUPDF-WLEJMLQUSA-N	365.434	2.406	10	10	FECE	
CN1CCc2cc([C@H](O)c3cc(I)nn3C)ccc21	2335790839	AIEZTFHNKOBTKK-AWEZNQCLSA-N	369.206	2.099	10	10	FECE	
Cc1ccc(N2C(=O)/C(=C\NCc3ccccn3)C(=O)N=C2S)cc1	103115323	KBJUYKXHZKNDOT-PTNGSMBKSA-N	352.419	2.223	10	10	FECE	
NC(=O)c1ccc(F)c(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)c1	170997310	GYLJSSVZHJAGDM-FPYGCLRLSA-N	369.396	2.413	10	10	FECE	
CCCNc1nccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)n1	244374741	YAYAZITYUWUPOK-UHFFFAOYSA-N	355.442	2.270	10	10	FECE	
Cc1csc([C@@H](C)NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)n1	804502336	PVOAZDAARHAQGJ-CYBMUJFWSA-N	360.483	2.320	10	10	FECE	
CN[C@H](Cn1cc(CNC(=O)OC(C)(C)C)nn1)c1ccc(N(C)C)cc1	2163132548	CZFUSQPVPWQSOX-QGZVFWFLSA-N	374.489	2.330	10	10	FECE	
O=S(=O)(C[C@@H]1CCCC1(F)F)NCc1ccc(N2CCOCC2)cc1	296678014	HTJYYELSCZBNLW-HNNXBMFYSA-N	374.453	2.378	10	10	FECE	
COCc1nc([C@H]2COCCN2Cc2cc(Cl)c(F)cc2O)no1	816565383	NFTTZKWHJUXOOV-GFCCVEGCSA-N	357.769	2.288	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)CN3CC(C)(C)C3)cc2F)C[C@H](C)O1	816891337	PZWVNMSEEZBODH-GJZGRUSLSA-N	363.477	2.397	10	10	FECE	
CN(C[C@@H]1CCCO1)C(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	839213104	SXURKPPUXDBOCE-INIZCTEOSA-N	372.421	2.151	10	10	FECE	
COC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1	839580622	SBRVEKUPWWIPOY-HYVNUMGLSA-N	360.454	2.290	10	10	FECE	
CCCCn1c(N)c(N(CC)C(=O)/C(C)=C\c2cccnc2)c(O)nc1=O	846772834	BCZNPUYKZFFRJO-QBFSEMIESA-N	371.441	2.183	10	10	FECE	
Cn1nccc1[C@H]1COCCN1Cc1cccc(Br)c1O	846116906	YEPGVYGHSUARRG-CQSZACIVSA-N	352.232	2.462	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)CCC(=O)Nc1nnc(C2CC2)o1	747397310	KOOUYEVGWNIDBO-UHFFFAOYSA-N	371.441	2.357	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1C[C@H]2[C@H](C1)C2(F)F	844896525	CCNFNEOFUPJTPI-KBPBESRZSA-N	369.387	2.193	10	10	FECE	
CCC[C@H](C)[C@@H](CO)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	844898431	VPZTZXCGENNVNB-WMLDXEAASA-N	367.465	2.259	10	10	FECE	
C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CN(C)C(=O)N3)cc2Cl)C1	854344674	QFPWLWRBJMBOIK-IUODEOHRSA-N	364.877	2.216	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CO[C@H](C2CC2)C1	858154878	USRDGZVPIHNWGU-QAPCUYQASA-N	363.433	2.029	10	10	FECE	
CC(=O)NCc1ccc(CNC(=O)NCc2ccc(N(C)C)cc2)cc1	852440072	MESQEIYCACYNEF-UHFFFAOYSA-N	354.454	2.388	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CC[C@@H](N(C)C(=O)N(C)C)C2)c1O	852652631	AEDQTJATDPAZMZ-CQSZACIVSA-N	353.850	2.436	10	10	FECE	
COc1cncc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1C	864931402	LFUCUNACDDBMIV-UHFFFAOYSA-N	359.401	2.304	10	10	FECE	
CN(C)c1ccc([C@@H](N)CNS(=O)(=O)c2cccc(Cl)c2O)cc1	866757427	UGHIMILWMQMHMY-AWEZNQCLSA-N	369.874	2.090	10	10	FECE	
O=C(C1CCCCC1)N1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1	768441187	WYFVMQNCJIKXDT-SFHVURJKSA-N	360.454	2.043	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3cncc4ncn(C)c34)C2)cc1	868955665	NUDFYFOSQXMQKB-CQSZACIVSA-N	365.437	2.233	10	10	FECE	
Cc1cc(C(=O)O)c(NS(=O)(=O)c2cccc3nonc23)cc1F	776581074	CLMYFUJMTCXSJH-UHFFFAOYSA-N	351.315	2.169	10	10	FECE	
COCCN(C(=O)/C=C\c1cnccn1)c1cccc(Br)n1	776358348	DUVHUGNVOLDYHA-WAYWQWQTSA-N	363.215	2.327	10	10	FECE	
COc1cccc(CNC(=O)C(=O)Nc2cccc(N(C)C)c2C)c1O	776042822	BIOLBAJSWZDBDJ-UHFFFAOYSA-N	357.410	2.030	10	10	FECE	
CCn1nccc1CN(CCO)C(=O)NCCCSc1nccs1	793105042	UIHWAVKVDBIIBY-UHFFFAOYSA-N	369.516	2.046	10	10	FECE	
CN(C[C@@H](O)COCc1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCCO2	1917272585	MLUYBYJKZJUFIO-OAHLLOKOSA-N	374.393	2.380	10	10	FECE	
C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CCN1C1CCCC1	1176155377	XILUUPDHRAYOOA-QGZVFWFLSA-N	358.530	2.318	10	10	FECE	
CN(C)S(=O)(=O)c1cc(C(=O)NCc2c(O)ccc3ccccc23)co1	1179033051	SPLAJPOCYAHPMR-UHFFFAOYSA-N	374.418	2.319	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCOC[C@H]1NC(=O)OC(C)(C)C	2124304625	GHXHVKHDQKPOEA-HUUCEWRRSA-N	364.442	2.280	10	10	FECE	
CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(O)c(O)c(O)c1	2132413962	RQQJMVHBBTVLBU-LBPRGKRZSA-N	368.430	2.473	10	10	FECE	
CCC1(N2CCCC2)CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1	1261869347	LZRXZGDWABINJB-UHFFFAOYSA-N	371.481	2.101	10	10	FECE	
CN1C(=O)[C@@H](O)c2ccc(N(Cc3ccccc3)[C@@H](CO)C3CC3)cc21	1915281154	KBUVDATWMACNAY-PMACEKPBSA-N	352.434	2.474	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(-c2ccc[nH]2)n1C[C@@H]1COCCO1	1617940238	KXYKORVSWFETQQ-OAHLLOKOSA-N	369.425	2.031	10	10	FECE	
COC(=O)c1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)n(C)n1	1570027622	PSHZATGIWRRMLJ-UHFFFAOYSA-N	358.181	2.149	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1ccc(O)c(O)c1	1653281366	KHLXXSCDNNTWLY-MCIONIFRSA-N	362.426	2.297	10	10	FECE	
CNC(=O)[C@H]1CCCN1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	158305788	LBOYERZBQLRBJX-GOSISDBHSA-N	358.486	2.343	10	10	FECE	
CC(=O)OC1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1	152954214	HFUWTBMQROTMSR-QPJJXVBHSA-N	358.438	2.091	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)OC(C)(C)C)CC2)c(OC)c1	1236412075	QBFOZAQDEDRKPF-UHFFFAOYSA-N	365.474	2.351	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(Cc2cc(F)ccc2O)C1	1962852630	NQYIJWHJEIOPJI-QGZVFWFLSA-N	354.378	2.085	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C[C@H](O)CN1C(=O)c2ccccc2C1=O	1989687463	KPFBOLSOGOEARF-KBPBESRZSA-N	354.406	2.042	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](CNCc2ccc(O)c(O)c2)CO1	2041186662	IPXPMRXBTJEAAI-KBPBESRZSA-N	352.431	2.117	10	10	FECE	
CN1CCc2cc(CNC[C@H]3COCCN3C(=O)OC(C)(C)C)ccc21	311296977	FAZUWPKFBYKKTK-KRWDZBQOSA-N	361.486	2.404	10	10	FECE	
CC(=O)N[C@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1	380341281	YLSIANYFQUICTN-AWEZNQCLSA-N	374.485	2.277	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H]1COCCN(C(=O)OC(C)(C)C)C1	830141748	XQBDYYQFMLVVSQ-OAHLLOKOSA-N	364.442	2.234	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CC(n4ccnn4)C3)ccc(N)c2C1	2170202290	UJEPGWMOQNCCNN-UHFFFAOYSA-N	370.457	2.215	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2060613281	PNTIJCVIIDDPHJ-AVGNSLFASA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)NCCCCN=[N+]=[N-])C[C@@H]2OCC[C@H]21	2060622352	YXPKYONZKCACNP-AGIUHOORSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](C(=O)NCCCN=[N+]=[N-])C1CCOCC1	2060614169	ZFVZSXGBJSNAHF-CYBMUJFWSA-N	355.439	2.371	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@]1(C(=O)NCC2(CN=[N+]=[N-])CC2)CCOC1	2060632615	CWIFZUHUNQVVTO-INIZCTEOSA-N	353.423	2.219	10	10	FECE	
CN1CCc2cc([C@H](CN)N3C[C@@H]4C[C@H]3CN4C(=O)OC(C)(C)C)ccc21	2195097737	GLCJVFTYYFKAGH-LNLFQRSKSA-N	372.513	2.372	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NC(=O)COc3ccc(N)cc3)[C@@H]21	2106254600	AYSXDIQWETZOLA-HYVNUMGLSA-N	361.442	2.162	10	10	FECE	
CC(C)(C)OC(=O)NCCC1(O)CCN(Cc2cc(N)ccc2O)CC1	2106689258	BFMGVGMGOUUHTO-UHFFFAOYSA-N	365.474	2.216	10	10	FECE	
C[C@@H](CNCc1ccccc1O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1	2222493515	WZZZZVZKNDMJHH-IFXJQAMLSA-N	350.459	2.490	10	10	FECE	
CN1CCc2cc(N3C[C@H]4[C@@H](CO)N(C(=O)OC(C)(C)C)C[C@H]4C3)ccc21	2235549150	IQBWZQBLYXYKSO-SZVBFZGTSA-N	373.497	2.343	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(CNCc2cccc(O)c2O)C1	2229487552	WEEGLNJYNMGBJI-LIRRHRJNSA-N	364.442	2.213	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NCc3ccc(F)cc3O)CO[C@H]1C2	2255117395	LVRZPDJWOJDQNS-XUWXXGDYSA-N	352.406	2.446	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C[C@@H]2CCC[C@H]21	2260032665	KQYVPWUCQZPNEY-BXIXQQKLSA-N	350.459	2.336	10	10	FECE	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(O)c(O)c1	2293245153	DCBWSCLMCVJGBP-UHFFFAOYSA-N	358.737	2.418	10	10	FECE	
CC(C)OC(=O)[C@H](C)N(C)C(=O)C=Cc1ccc(N2CCOCC2)cc1	2299250773	AIUSBJLMBWPOOC-INIZCTEOSA-N	360.454	2.335	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@H](NC(=O)OC(C)(C)C)c1cnn(C)c1	2315986599	FZMXYAIDDVNGAU-GFCCVEGCSA-N	351.411	2.145	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2C[C@@H](N3CCOCC3)[C@H](C)C2)cc1	175697157	SWADYKAPLABFER-YLJYHZDGSA-N	374.529	2.395	10	10	FECE	
O=C(NCc1ccncc1)C1=C2CCCN2c2ccc(F)cc2S1(=O)=O	65239750	LRZKMCMJZLIQEJ-UHFFFAOYSA-N	373.409	2.136	10	10	FECE	
CN(C)c1noc([C@H]2CCCN(Cc3ccc(N4CCOCC4)cc3)C2)n1	194931832	CBXIOZUWXJJHQL-KRWDZBQOSA-N	371.485	2.352	10	10	FECE	
COc1ccc(N2CCN(C(=O)CNCc3ccccc3C)CC2)cc1	243073538	IMNTVVFAAMIMAK-UHFFFAOYSA-N	353.466	2.442	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(C)(C)C(=O)N3CCCCC3)CC2)cc1	243082253	IRKYNAJDBYZKSC-UHFFFAOYSA-N	373.497	2.383	10	10	FECE	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccn(C)c2=O)cc1	265083810	YCPFCEUKLPDDKI-GOSISDBHSA-N	369.465	2.273	10	10	FECE	
Cc1cc(Cl)cc(CN[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1O	272456180	XEXJLSQPEMCPBK-HOCLYGCPSA-N	359.875	2.180	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C	2162953294	VFGWPTKQFOXGPO-JTNHKYCSSA-N	372.391	2.127	10	10	FECE	
C[C@@H](CN(C)C(=O)c1ccn(-c2ccc(N)cc2)n1)NC(=O)OC(C)(C)C	2162996291	CTCUFICWVMNBJU-ZDUSSCGKSA-N	373.457	2.440	10	10	FECE	
O=C(CNCc1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1	701313017	JZKSFIDKPUFDIE-UHFFFAOYSA-N	357.429	2.068	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)C(=O)Nc1ccc2c(c1)CCCC2	297513754	VAQBYVLQMDALST-UHFFFAOYSA-N	354.406	2.274	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H](OC)C1CCC1	831706094	ACVZGLQNOAPAPC-MRXNPFEDSA-N	355.818	2.362	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N[C@H]3CCn4ccnc43)CC2)cc1	836515780	FNWGTEYHXKTQHN-KRWDZBQOSA-N	355.442	2.305	10	10	FECE	
O=C(NCc1cccc(C(=O)NC2CC2)c1)NCc1c(O)cccc1F	914229941	AWVAACPEQKTMLH-UHFFFAOYSA-N	357.385	2.423	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)CCC[C@H]3CCOC3)C2)cc1	849416998	GTIQIZNZADBOFG-HOTGVXAUSA-N	368.499	2.010	10	10	FECE	
CS(=O)(=O)c1ccccc1C(=O)N1CCS[C@H](C(F)(F)F)C1	928143327	YDWLRABIEDYVRZ-NSHDSACASA-N	353.387	2.210	10	10	FECE	
CCO[C@@]1(C)C[C@H]1NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	858530372	BVUZXIHNOHJRKH-QAPCUYQASA-N	369.412	2.168	10	10	FECE	
CC[C@H](N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(C)cc1O	858489620	IMYHFNLJWKQEPF-ZBFHGGJFSA-N	352.442	2.458	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)NC(=O)C3CCCC3)C2)cc1	855233316	XFIRTJLSERKXQS-GOEBONIOSA-N	359.470	2.085	10	10	FECE	
COc1ccc(O)c([C@H](C)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1	751999523	FTBWVSZSZNIDQZ-NSHDSACASA-N	366.395	2.490	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)CN2CCO[C@H](CC(N)=O)C2)c1C	860012122	FXOBBNMLNACYPX-QGZVFWFLSA-N	369.465	2.161	10	10	FECE	
Cc1nccnc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	1350277962	DGNZOHBFIMXDAA-UHFFFAOYSA-N	355.442	2.315	10	10	FECE	
COc1cccc(CNC(=O)NCC[C@H]2COc3ccccc3O2)c1O	767186209	SWMAAYMBKWJXGG-AWEZNQCLSA-N	358.394	2.430	10	10	FECE	
CCOC(=O)[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]1C(F)(F)F	874908371	YTENYYQPTQTOLV-WBIIUDBISA-N	373.327	2.311	10	10	FECE	
CCOC(=O)[C@]1(C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCO1	899172510	AKLCOKONGCFEHB-KRWDZBQOSA-N	365.407	2.107	10	10	FECE	
CCn1nc(C)c(CNCc2c(C(=O)OC)n(C)c3ccc(F)cc23)n1	895052001	VKFWQDKYVQQXKJ-UHFFFAOYSA-N	359.405	2.314	10	10	FECE	
C[C@@H](O)CN(CCN[C@H](C)c1ccc(O)cc1O)C(=O)OC(C)(C)C	394138293	PSYMALIFDGDDAW-CHWSQXEVSA-N	354.447	2.366	10	10	FECE	
O=Cc1ccccc1S(=O)(=O)NCc1cc(Br)ccc1O	796191552	XILVYNUYOSUOTE-UHFFFAOYSA-N	370.224	2.446	10	10	FECE	
CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nn1	793032813	JLGJJQLRXSXZDP-ZDUSSCGKSA-N	371.441	2.146	10	10	FECE	
O=C(NCc1ccc(O)cc1O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1	1142533689	QJTIVYYOYPJXKN-UHFFFAOYSA-N	371.368	2.032	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@H]1CCCN1c1ncnc2ccccc12	1156881250	VTSZXPIPZNFDGJ-MRXNPFEDSA-N	364.405	2.326	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)CC1	2126929333	BNMLPQKZXDMYRJ-ZDUSSCGKSA-N	367.450	2.297	10	10	FECE	
COc1cc(OC)c(S(=O)(=O)NCc2cc(C)ccc2O)c(OC)c1	1329239651	VXIUYLDOTYVXTI-UHFFFAOYSA-N	367.423	2.205	10	10	FECE	
Nc1ccc(CS(=O)(=O)N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)cc1	2132364598	MXQULQHHBCMOHC-UYAOXDASSA-N	371.506	2.305	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1	2132413182	KQWALTBLSPNXRH-NWDGAFQWSA-N	366.414	2.369	10	10	FECE	
C[C@H](NC(=O)Cn1nnnc1-c1ccccc1)c1ccc(N(C)C)cc1	1435952895	CPPPKMTXPKSCNL-AWEZNQCLSA-N	350.426	2.284	10	10	FECE	
CN(C)C(=O)CCn1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C	1503367037	JEKXLLWWZHSSGJ-UHFFFAOYSA-N	359.474	2.396	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(-c2nc(=O)o[nH]2)c1	1443811689	HDQDTQAWMKBFPE-UHFFFAOYSA-N	352.394	2.334	10	10	FECE	
COc1cc(O)ncc1C(=O)NCc1cccc(Br)c1O	1467764071	NYLYASRGXXYHEX-UHFFFAOYSA-N	353.172	2.194	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(OCC(F)(F)F)nn1	1641192157	OZPANIFKHWWKPM-DJWKRKHSSA-N	369.299	2.159	10	10	FECE	
Cc1cccc(CNC(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)c1O	2139758429	QZSRJMWOZSANGE-LSDHHAIUSA-N	364.442	2.389	10	10	FECE	
CN(C)c1ccc(CNCC(=O)Nc2nnc([C@H]3CCCO3)s2)cc1	1857852421	YOPCZGLQAZNJDV-CQSZACIVSA-N	361.471	2.184	10	10	FECE	
COC(=O)[C@H](CC(=O)N[C@H](C)c1ccccc1O)NC(=O)OC(C)(C)C	1877573590	MNZWUOXUOXRXRS-YPMHNXCESA-N	366.414	2.026	10	10	FECE	
COc1ccc(Br)c(CNC[C@H](CO)C(F)(F)F)c1O	1967741727	ADIJUXMEGZNYAS-SSDOTTSWSA-N	358.154	2.424	10	10	FECE	
COc1ccc(CNC[C@]2(NC(=O)OC(C)(C)C)CCOC2)c(O)c1	711192731	TZOIWFPKFIKLMO-GOSISDBHSA-N	352.431	2.174	10	10	FECE	
CN(CCCS(C)(=O)=O)Cc1cc(Br)cc(F)c1O	715803766	LCYHRDUXIWXXEO-UHFFFAOYSA-N	354.241	2.160	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2060635237	JVMHTVMBKQWBTB-OLZOCXBDSA-N	353.423	2.314	10	10	FECE	
CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2060610182	FIVFQIJBSXKWLV-STQMWFEESA-N	354.455	2.133	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)NCCCCN=[N+]=[N-])[C@@H](O)C(C)(C)C	2072688159	KDPRVVHUMCQRSW-NWDGAFQWSA-N	357.455	2.493	10	10	FECE	
CN[C@@H](c1ccc2c(c1)CCN2C)[C@@H](CN(C)C)NC(=O)OC(C)(C)C	2106857436	KUPRBOBUPGRAAL-AEFFLSMTSA-N	362.518	2.394	10	10	FECE	
COc1ccc(N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c(OC)c1C	2277976245	YEZJZIAKBOTAOA-ZIAGYGMSSA-N	366.458	2.477	10	10	FECE	
COC(=O)[C@H](CNC(=O)OC(C)(C)C)NCc1cnc(SC)s1	2243768439	KOGRBQORWPQGLQ-JTQLQIEISA-N	361.489	2.021	10	10	FECE	
CN(C)c1ccc([C@@H](N)[C@@]2(O)[C@H]3C[C@@H]2CN(C(=O)OC(C)(C)C)C3)cc1	2270725379	ISYMMDFIXWWHRD-MJEZEWASSA-N	361.486	2.370	10	10	FECE	
O=C1NC(=O)N(c2cccc(F)c2)C(=O)C1=Cc1ccc2c(c1)OCCO2	2294106468	KQTGYDMUIYBKPO-UHFFFAOYSA-N	368.320	2.263	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1	2288268274	ZXWIWGNLPCUSJR-CKNLXJGOSA-N	374.485	2.442	10	10	FECE	
CC(=O)N1CCN(N=Nc2ccc(I)cc2)CC1	2318776146	YUXMWODFCBSVJB-UHFFFAOYSA-N	358.183	2.454	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H]1C[C@H]2OCC[C@@H]2N1C(=O)OC(C)(C)C	2315987435	SQEGYAONSGKTSM-RWMBFGLXSA-N	353.423	2.312	10	10	FECE	
CC1CCN(CCNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1	108776798	KWQWVJYNNPEDGD-QPJJXVBHSA-N	357.498	2.385	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@@H]3CC[C@@H]4CN(C)C[C@H]43)CC2)cc1	1346660498	OJYOUFVGYSIIER-NSISKUIASA-N	372.513	2.257	10	10	FECE	
Cc1cc(Cl)cc(CN2CCN(c3ccc4nncn4n3)CC2)c1O	180081549	NUKHHGQPIRWZPC-UHFFFAOYSA-N	358.833	2.114	10	10	FECE	
CCN[C@H]1C(=O)Nc2cc(N(C)CC[C@H](C)O)c(Br)cc21	253037860	YQCYBRCBPZETDO-LKFCYVNXSA-N	356.264	2.259	10	10	FECE	
O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)N1CCOC[C@H]1C1CC1	372319382	SMBZIYMGVVPVLV-OALUTQOASA-N	374.481	2.011	10	10	FECE	
C[C@H](NC(=O)N1CC2(CCOCC2)C1)c1ccc(N2CCOCC2)cc1	813606524	SNDVTBUXHLNNHH-INIZCTEOSA-N	359.470	2.406	10	10	FECE	
O=C(/C=C/[C@@H]1CCOC1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	828259031	JCIIBEZPMIUTGJ-MUPIXQSSSA-N	369.509	2.428	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CCO[C@H](C2CC2)C1	839339303	KJPJFVABDOKYCV-SFHVURJKSA-N	360.454	2.158	10	10	FECE	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CSCC(=O)O)cc1	747808753	QTZYDMPJMZXVSU-INIZCTEOSA-N	366.483	2.078	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)c2ccc(-n3cnnn3)cn2)cc1	847304637	XOHKMVFCLRJVSP-UHFFFAOYSA-N	365.441	2.176	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC[C@@H]([C@@H]2CCOC2)C1	749557201	FFUGINBLEJNYNO-RTBURBONSA-N	359.514	2.460	10	10	FECE	
COc1cc(C)c(C)cc1NC(=O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	850432361	AKAROGZLGQIYKM-ZDUSSCGKSA-N	372.421	2.409	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)NCc2cc(Br)ccc2O)c2ncnn21	852477912	NIRFBWUAKRWLSQ-GZMMTYOYSA-N	366.219	2.251	10	10	FECE	
Fc1cc(CN[C@H]2CCCOC2)ccc1N1CCN(c2ncccn2)CC1	765276711	NKAHCADIMYVSRO-KRWDZBQOSA-N	371.460	2.211	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)c1cc(N2CCOCC2)ccn1	862028617	FXXHWLRXKAKHCX-UHFFFAOYSA-N	364.405	2.102	10	10	FECE	
COC(=O)N1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1	1119519288	GJBHZFRAPPQSTC-UHFFFAOYSA-N	350.396	2.227	10	10	FECE	
Cc1cc(C(=O)N2CCN(Cc3cc(F)cc(F)c3O)[C@H](C)C2)n[nH]1	894968503	AAFATTWHHBKLJD-LLVKDONJSA-N	350.369	2.048	10	10	FECE	
CN(C)S(=O)(=O)[C@H]1CCCN(Cc2cc3c(cc2O)CCCC3)C1	795656284	ILDFTAUQWAYQBP-KRWDZBQOSA-N	352.500	2.127	10	10	FECE	
C[C@@H](NC[C@]1(NC(=O)OC(C)(C)C)CCOC1)c1ccc(O)cc1O	688538179	UXOQEYVFNMUBHP-KZULUSFZSA-N	352.431	2.432	10	10	FECE	
CN(C)c1ccc(CN(C(=O)N[C@H]2CC(=O)N(CC3CC3)C2)C2CC2)cc1	1245994967	OUZYKQJQJIXCGV-KRWDZBQOSA-N	370.497	2.438	10	10	FECE	
C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@H](c2ccsc2)O1	1329414797	XFWJBUZRXXIWDR-SJKOYZFVSA-N	372.446	2.285	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)NCc2ccccc2O)OCC12CC2	2127535916	ROECHTMCOLORPP-OAHLLOKOSA-N	362.426	2.177	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)=C[C@H]1O	2131473387	FMXOZFKTYAETQG-MGPQQGTHSA-N	365.434	2.262	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@H]1CCNC(=O)c1cc(O)c(O)c(O)c1	2132410479	NIOGHRSMVBNTPW-LBPRGKRZSA-N	366.414	2.323	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1	2132406708	JYFLJTBLESMUIX-LBPRGKRZSA-N	366.414	2.275	10	10	FECE	
O=C(Cn1nc(-c2ccccc2)oc1=O)NCc1cccc(Cl)c1O	1472315660	BWWCXCLLUABQTF-UHFFFAOYSA-N	359.769	2.179	10	10	FECE	
CC(=O)Nc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)nc1	1618644158	TUYOZFHBBKEMGR-IBGZPJMESA-N	369.469	2.139	10	10	FECE	
O=C(C[C@@H]1COCCN1C(=O)Cc1ccc(O)c(O)c1)c1cccs1	1545223406	GQJWOBGJYAHQTN-CYBMUJFWSA-N	361.419	2.202	10	10	FECE	
C[C@@H]1C[C@]1(C)NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136257503	ZUCYRYKZQRTNKQ-AGMRTUQYSA-N	364.442	2.448	10	10	FECE	
C[C@@H](NC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1)c1ccccc1O	1557966990	SSCLMSJCVPRCRL-HPEXNQPKSA-N	358.419	2.274	10	10	FECE	
COc1ccnc(OC)c1C(=O)NCc1cccc(Br)c1O	1635839752	KYPSIBDNLGMQOA-UHFFFAOYSA-N	367.199	2.497	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CC(=O)NCc1ccc(O)c(O)c1)C(F)F	1635959224	GCXXCPJPEZXWBF-JTQLQIEISA-N	360.357	2.263	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1cccc(CN2CCC(CO)CC2)c1	1631600645	FZAPYGNMGFNBDF-UHFFFAOYSA-N	370.449	2.483	10	10	FECE	
Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1cc(Cl)cc(Cl)c1O	1641997245	KBBSJAJPJNKUIZ-UHFFFAOYSA-N	359.169	2.429	10	10	FECE	
CS(=O)(=O)c1cc(C(=O)NCc2ccc(O)cc2O)ccc1Cl	1643101209	YRIGOWKWIPMEIG-UHFFFAOYSA-N	355.799	2.085	10	10	FECE	
C[C@H](O)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2Cl)SC1=S	1858591901	CRTAVEAAMOKAPT-OMOYZJFYSA-N	357.840	2.375	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)O)N(Cc2cc(Cl)cc(Br)c2O)C1	1964721762	XQQVVBGYUXAFIN-MWLCHTKSSA-N	364.623	2.482	10	10	FECE	
CCCN(C[C@@H](O)CN1C(=O)c2ccccc2C1=O)c1ccc(N)cc1	1994842517	OORIOCUTXYETEE-MRXNPFEDSA-N	353.422	2.142	10	10	FECE	
C[C@@H]1CN(C[C@@H](O)COc2ccc(N)cc2)CCN1Cc1ccccc1	396483184	MVYXTLATAKSNSR-YLJYHZDGSA-N	355.482	2.215	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)N1C[C@@H](O)COc1ccc(N)cc1	2106735083	VVMGIMXSJZBBRD-HRCADAONSA-N	363.458	2.397	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])CO1	2218742735	HITGUMZWTYGBAO-LPWJVIDDSA-N	353.423	2.358	10	10	FECE	
CN1CCc2cc([C@H](N)[C@@]3(O)[C@H]4C[C@@H]3CN(C(=O)OC(C)(C)C)C4)ccc21	2286228722	PVKVUQLYWCGPGE-ONFYXGJMSA-N	373.497	2.297	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@]12CN(C(=O)OC(C)(C)C)C[C@H]1CCO2	2315988875	DOTMSFPKVUBYEN-WBMJQRKESA-N	353.423	2.171	10	10	FECE	
Cc1cc(O)cc(=O)n1[C@H](C)C(=O)NCc1ccc2c(c1)CCCN2C	178179432	JPYYVZQMPKWPCQ-CQSZACIVSA-N	355.438	2.122	10	10	FECE	
CN(C)CCNC(=O)c1cccc2c(N)c3cccc([N+](=O)[O-])c3nc12	27742564	XDQDEIIZJFPQEM-UHFFFAOYSA-N	353.382	2.170	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnn4ccc(C)nc34)CC2)cc1	68646710	HNHDTIKCAIJVJV-UHFFFAOYSA-N	351.410	2.009	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cccc(O)c2O)CC(F)(F)C1	1148218808	LXVPUMRMZTZBIS-JTQLQIEISA-N	372.368	2.472	10	10	FECE	
C[C@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1n1ccnc1	246680994	VVHHGEYCBKSPJS-FXAWDEMLSA-N	369.513	2.491	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N1CCS[C@@H]2COCC[C@@H]21	255319473	XLULWSAKULPAAK-UISOYYMSSA-N	374.506	2.269	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N(CC(F)(F)F)c2ccccn2)c1	255384911	IBJMISCZWWJFSM-WAYWQWQTSA-N	364.327	2.445	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CC(C)(C)O[C@@]3(CCOC3)C2)cc1F	280803597	HNHTVQHJFVVQRS-IBGZPJMESA-N	365.449	2.371	10	10	FECE	
COc1ccc(N2CCN(c3nnc([C@H]4CCCO4)n3C)CC2)cc1F	296103285	YZCBLUSWDDBNOY-MRXNPFEDSA-N	361.421	2.141	10	10	FECE	
CCN1CC[C@@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C1=O	802533987	OCRGHCAEUMCQNT-MRXNPFEDSA-N	357.410	2.318	10	10	FECE	
CCO[C@@H]1[C@H](C)[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	906859427	RNSYMKLKZTXHIV-NXOUGTEYSA-N	350.434	2.074	10	10	FECE	
COC(=O)[C@@H]1CC[C@H](C(=O)NCc2cc(Br)ccc2O)C1	839760925	CQSDVJIDMISAOG-VHSXEESVSA-N	356.216	2.360	10	10	FECE	
NC(=O)[C@H]1Cc2ccccc2N(C(=O)/C=C\c2cnc3ccccc3n2)C1	732737625	BUGIPEOETIFCBV-KVPUOBJLSA-N	358.401	2.334	10	10	FECE	
O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C1(F)CC1	843534468	FSNCUASIWSJIQE-UHFFFAOYSA-N	373.407	2.061	10	10	FECE	
C[C@H](NC(=O)C(=O)NCc1ccc([C@@H](C)N)cc1)c1ccc(N(C)C)cc1	842203918	YPKQOHRTJUMVRR-CABCVRRESA-N	368.481	2.266	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3Cc4ccccc4[C@H](C(=O)O)C3)cc2N1	852913144	VKLKYDFQZBLTHL-GFCCVEGCSA-N	369.333	2.114	10	10	FECE	
Cc1nc(NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c2cc[nH]c2n1	751224249	DHELGNJHDWUDMF-UHFFFAOYSA-N	371.466	2.113	10	10	FECE	
COc1cc(Br)cc([C@H](C)NC[C@@H](O)c2ccnn2C)c1O	927131749	QRFNTQJKCJUIPV-TVQRCGJNSA-N	370.247	2.281	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNC(=O)c3cc(O)cs3)O2)C1	855881549	AKFBPCJWWPYGMP-LBPRGKRZSA-N	368.455	2.352	10	10	FECE	
COc1ccc(N2CC[C@H](Nc3ccc4ncc([N+](=O)[O-])n4n3)C2)cc1	853759050	OBDWVGDIJOWSTK-LBPRGKRZSA-N	354.370	2.337	10	10	FECE	
COc1ccc(N2CCC(N[C@H]3CC[C@@H](C)S(=O)(=O)C3)CC2)cc1	850369472	KPSUSIQKJGVGFR-ZBFHGGJFSA-N	352.500	2.219	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1CCCn2nccc21	868130842	SQDFDDJONNHQFL-KRWDZBQOSA-N	355.442	2.054	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3c[nH]nc3[C@H]3CCCO3)C2)cc1	869229869	AKAUWLQZALAGIU-SUMWQHHRSA-N	356.426	2.279	10	10	FECE	
CCc1cccc(CNCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1O	1118400120	KKIFKOZQBUOKSZ-HXUWFJFHSA-N	353.422	2.299	10	10	FECE	
CC1(C)CCC[C@@H](CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)O1	1119736267	YRWZVZMDNOHNRB-SFHVURJKSA-N	371.481	2.143	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)OCCc3cnnn3C)ccc21	893769267	XUGCTRPKYPWVGK-UHFFFAOYSA-N	356.426	2.433	10	10	FECE	
CN1CCN(c2ccc(CNC3CC(n4cc([N+](=O)[O-])cn4)C3)cc2)CC1	895609013	XMCFJJQQOBMIBC-UHFFFAOYSA-N	370.457	2.036	10	10	FECE	
COc1ccc(CNC(=O)CCc2nc(-c3ccncc3)no2)c(O)c1	794388390	RPKNLEOBPABTRN-UHFFFAOYSA-N	354.366	2.095	10	10	FECE	
COCC[C@@H](CO)NC(=O)NCCc1cc(C)n(-c2ccccc2)c1C	798353902	GGLMLPYNNLIEAZ-SFHVURJKSA-N	359.470	2.333	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCC(N3CCCCC3=O)CC2)cc1	1149662674	RIIXGJNBDWRJKO-UHFFFAOYSA-N	357.414	2.466	10	10	FECE	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cn2nccc2N)cc1	1141518639	PXNFOCQFFBWBEP-UHFFFAOYSA-N	353.426	2.353	10	10	FECE	
Cc1c2c(cc(=O)n1CC(C)C)N[N@@H+](c1nc3ccccc3s1)C2=O	1082734829	LPBYHVIRGIEHMA-UHFFFAOYSA-O	355.443	2.120	10	10	FECE	
CCOc1ccccc1[C@H](CC(=O)NCc1c(O)cccc1O)NC(C)=O	1178910094	AAIMNNGRMAZBHT-INIZCTEOSA-N	372.421	2.380	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@H]1Cc2nc[nH]c2CN1C(=O)OC(C)(C)C	2124514959	WWWJWOJTOWSOKP-CYBMUJFWSA-N	363.422	2.230	10	10	FECE	
COc1cc(N2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c([N+](=O)[O-])cc1OC	1458615948	FWWHKNSOKHDYOU-DIFFPNOSSA-N	365.386	2.327	10	10	FECE	
COCc1nnc(-c2cccc(C(=O)NCc3ccc(O)cc3O)c2)o1	1469159435	JZCXYBXTEABXHR-UHFFFAOYSA-N	355.350	2.224	10	10	FECE	
CCc1nnc(N2CC(C)(OC)C2)n1Cc1ccc2c(c1)CCCN2C	1613943966	XLTQEBOPVAALEW-UHFFFAOYSA-N	355.486	2.496	10	10	FECE	
CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CCCN(c2ccccc2)C1=O	1627806957	TZLWMEAZKVVNOE-INIZCTEOSA-N	354.406	2.294	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O	1643879406	OHOHJFHVCQRMFS-OAHLLOKOSA-N	360.797	2.421	10	10	FECE	
COc1ccc(CNCCN(C)C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cc1C	1731957412	MXEDYIVNZKXWMC-ZWKOTPCHSA-N	356.470	2.089	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C(C)(C)C)n1CCn1cncn1	1747750048	JGBZDAXYJFPEDD-UHFFFAOYSA-N	355.446	2.209	10	10	FECE	
CSc1ncc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(O)n1	1583676812	QYWLWKDNUSYBPR-GFCCVEGCSA-N	374.466	2.232	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)c3ncccc3N)cc2F)C[C@@H](C)O1	1596695019	LWZXAGFFDFLOIC-CHWSQXEVSA-N	358.417	2.347	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNC(=O)Cc3ccc(N)cc3)[C@@H]2C1	2138811152	XLXWRTSLTROAHY-IXDOHACOSA-N	359.470	2.431	10	10	FECE	
COc1cccc(CNC(=O)NCc2cc3c(nc2O)CCCC3)c1O	1684714095	ISPWGJOAJKZHAL-UHFFFAOYSA-N	357.410	2.380	10	10	FECE	
C[C@@H](NC(=O)[C@]1(CO)CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O	1877570879	TUMJRNLAEKIJQT-BFUOFWGJSA-N	364.442	2.189	10	10	FECE	
Oc1cc2c(cc1CNC[C@H]1COCCN1Cc1ccccc1)OCO2	1880836491	ZUJXJXXUJBLSDW-KRWDZBQOSA-N	356.422	2.112	10	10	FECE	
CN1C(=O)[C@@H](O)c2ccc(N3C[C@H]4C[C@H]3CN(Cc3ccccc3)C4)cc21	2160692404	ZYHLHEJZXCGNHD-MDKPJZGXSA-N	363.461	2.407	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NCc2cccc(O)c2O)CCO1	2036666051	GHADIFJHWUOIML-UONOGXRCSA-N	352.431	2.260	10	10	FECE	
CC(C)(C)OC(=O)NC1(CC(=O)NCCc2ccc(O)c(O)c2)CC1	830532345	VJHZFNZJUKMKIQ-UHFFFAOYSA-N	350.415	2.204	10	10	FECE	
CC(C)(C)OC(=O)NCCOCCC(=O)N1CCC(CN=[N+]=[N-])CC1	2060635124	IGBBQSWAGDPYDI-UHFFFAOYSA-N	355.439	2.467	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)COc1ccc(N)cc1	2106773453	LKINFGYUVCVOGT-CABCVRRESA-N	361.442	2.258	10	10	FECE	
CC(C)(C)OC(=O)N1Cc2nccn2C[C@@H](NCc2ccc(N)cc2)C1	2107113632	GSPBDDOUIJOKEF-MRXNPFEDSA-N	357.458	2.374	10	10	FECE	
CCN=c1[nH]cc(Br)c(=NCc2cnc(SC)s2)[nH]1	2269300301	CTOMIGDHTTUSLR-UHFFFAOYSA-N	360.306	2.305	10	10	FECE	
O=C1NN(c2ccccc2)C(=O)C1=Cc1ccc(N2CCOCC2)s1	2296594481	HLVHMIBPZLPWJB-UHFFFAOYSA-N	355.419	2.046	10	10	FECE	
CN(C)c1ccc(C=CCN2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cc1	2297519274	QLDRRUFIMOGVEJ-HXUWFJFHSA-N	356.470	2.076	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2312334125	MENLOMNZXNJVQS-RNJOBUHISA-N	353.423	2.216	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@@H]2NCc1ccc(O)c(O)c1O	2318636327	CFBQDKVJDXZTIY-AVGNSLFASA-N	350.415	2.291	10	10	FECE	
CN(C(=O)c1cccc(O)c1O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F	2320528263	TVRSJWZXKMZHAK-VXGBXAGGSA-N	354.378	2.127	10	10	FECE	
COC(=O)[C@H]1C[C@@H](C)N(C(=O)c2cc(O)c(O)c(O)c2)c2ccccc21	170190729	LMQCWYAQHVBEDU-MFKMUULPSA-N	357.362	2.499	10	10	FECE	
O=C(NCCN1C(=O)CSC1=S)c1cccc(Br)c1	49755512	SWQMFWRWCFLHIO-UHFFFAOYSA-N	359.270	2.039	10	10	FECE	
CCOc1cccc(CN(CC(=O)N2CCCC2)C[C@H]2CCCO2)c1O	93666929	IHUCTKDRFIBQJH-QGZVFWFLSA-N	362.470	2.394	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)NCCCOC[C@@H]1CCCO1	255031563	NZXSQSBOXMLJDP-NSDNCLLMSA-N	374.481	2.238	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1C[C@@H]2OCCC[C@H]21	251842312	MVEPNLYLDWQWBR-ZCNNSNEGSA-N	373.497	2.262	10	10	FECE	
Cc1oc(S(C)(=O)=O)cc1C(=O)N1CCOc2cc(N(C)C)ccc21	625916514	XTYJUWBGHUDCBA-UHFFFAOYSA-N	364.423	2.097	10	10	FECE	
CC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)c1	392295983	SDEIKSYJAMCAAY-UHFFFAOYSA-N	364.379	2.158	10	10	FECE	
Cc1cc(C(=O)N2CCC(c3nc(N)n[nH]3)CC2)c(C)n1-c1ccccn1	819938815	BCZWDCFGHFSUOI-UHFFFAOYSA-N	365.441	2.209	10	10	FECE	
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	907102895	BUJQGRICBCVBGG-IXDOHACOSA-N	361.438	2.489	10	10	FECE	
O=C1N=C(N2CCOCC2)S/C1=C/c1nccn1Cc1ccccc1	734096043	WAEKBFVAZNXLLA-NTCAYCPXSA-N	354.435	2.234	10	10	FECE	
CN(C)Cc1cc(C[C@](C)(NC(=O)OC(C)(C)C)C(=O)O)ccc1O	1952279605	YKLVILXCUZAPGH-SFHVURJKSA-N	352.431	2.364	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@]2(C)C1=O	839953456	RDCKMNKNYRQVMB-STHPQGGCSA-N	353.466	2.339	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1ccc(C(N)=O)nc1	841672194	VASJQGYKGVZGLZ-ZDUSSCGKSA-N	355.442	2.308	10	10	FECE	
C[C@@H](NC(=O)N1CCC[C@]2(CCNC2)C1)c1ccc(N2CCOCC2)cc1	841739948	CPNCKKNSLPPQSV-DYESRHJHSA-N	372.513	2.369	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)[C@@H]1CCc2ncncc2C1	843885440	HBDDYNIGNFGIMY-SNVBAGLBSA-N	362.227	2.366	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC(NC(=O)OC)CC2)c([N+](=O)[O-])c1	853993119	HXIKQGDKENFQQH-XQRVVYSFSA-N	363.370	2.106	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1	859954213	IDUHTNHUVFESAP-HZPDHXFCSA-N	372.446	2.060	10	10	FECE	
C[C@@]1(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CCOC1	754413357	HIGZPTRSIYZUDL-OAQYLSRUSA-N	357.498	2.261	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCC(NC(C)C)CC3)C2)cc1	854300917	DGRATKRNQLXWOU-QGZVFWFLSA-N	360.502	2.446	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)cc1	855229382	JOMZLUQHSRDVIA-KGLIPLIRSA-N	363.458	2.303	10	10	FECE	
COC1(CS(=O)(=O)NCc2ccc(N3CCSCC3)cc2)CCC1	866533961	YACJZHSNFIKOLG-UHFFFAOYSA-N	370.540	2.228	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)[C@@H]1CC(=O)N(Cc2ccco2)C1	862028677	HLCPVBMBMIEIPZ-OAHLLOKOSA-N	365.389	2.198	10	10	FECE	
COC(=O)[C@@H](NCc1cc(OC)ccc1O)c1ccc(OC)cc1OC	779182182	VRGQLGKILAVMGY-SFHVURJKSA-N	361.394	2.422	10	10	FECE	
COc1cc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)ccc1F	788048170	XCCZZEVJJSVCQT-UHFFFAOYSA-N	374.415	2.007	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cc([C@H]4CCCN4C)[nH]n3)C2)cc1	898580153	CXXIHTSLSVUCFT-IFXJQAMLSA-N	369.469	2.194	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc2ncnc(O)c12	1136396857	LAADZFHPFPHOMN-UHFFFAOYSA-N	364.405	2.102	10	10	FECE	
CCN(CCCNC(=O)Cc1ccc(O)c(O)c1)C(=O)OC(C)(C)C	1136650919	PNUDHXUNFXHDCX-UHFFFAOYSA-N	352.431	2.404	10	10	FECE	
CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2c(Cl)cnn2C)cc1	797442551	COZUIWCXMDFLQZ-UHFFFAOYSA-N	368.890	2.493	10	10	FECE	
CC(C)(C)OC(=O)Nc1cnc(C(=O)NCc2ccc(O)cc2O)cn1	1142533889	VHOBNIDBHIFCSM-UHFFFAOYSA-N	360.370	2.165	10	10	FECE	
COc1cc(NS(=O)(=O)c2cc(C)c(F)c(C(=O)O)c2)ccc1O	797820130	HSGWVIKSTSIZOX-UHFFFAOYSA-N	355.343	2.347	10	10	FECE	
C[C@@H](c1ccccc1)N(CCO)CC(=O)NCc1ccc(N(C)C)cc1	1307597033	LNPLDRKHGFPTPW-KRWDZBQOSA-N	355.482	2.424	10	10	FECE	
CCOC(=O)CN(CC(=O)NOCc1ccccc1)Cc1ccccc1O	1307862809	KORAAZHULVGDIG-UHFFFAOYSA-N	372.421	2.005	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)N3CCC[C@H](N=[N+]=[N-])CC3)[C@H]21	2124513878	RLHNGMCQQPKWSX-REWJHTLYSA-N	365.434	2.312	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ccc(O)c(O)c2)CC(F)(F)C1	2127787962	BTEJDNVVZNEKMP-LLVKDONJSA-N	372.368	2.472	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1ccc(N2N=C(C3CC3)CC2=O)nc1	1453772913	PFIUZWXDYFUOQP-UHFFFAOYSA-N	366.377	2.177	10	10	FECE	
COCCNc1nc(CC(=O)N[C@@H](C)c2cc(OC)ccc2O)cs1	1622778978	DBIXZZYAJZMQKG-NSHDSACASA-N	365.455	2.336	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC(F)(F)C1	2136263359	BYDOKZUIVDGOPP-NSHDSACASA-N	372.368	2.011	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)cc1	1626174192	MZQKJTRHNUPSIC-HIFRSBDPSA-N	360.414	2.147	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C(C)(C)C)n1CCNC(=O)C1CC1	1554175260	TYRCVUALGOTUBI-UHFFFAOYSA-N	371.485	2.444	10	10	FECE	
CCOCc1nnc(N2CCO[C@@H](C)C2)n1Cc1ccc(N(C)C)cc1C	1767963864	CUNMDOQSKAYDIQ-INIZCTEOSA-N	373.501	2.462	10	10	FECE	
CCOC(=O)c1ccc(NC(=O)CN2C(=O)[C@@H](C)SC2=S)cc1	11635424	NYJMZUVDQONACB-SECBINFHSA-N	352.437	2.051	10	10	FECE	
CC(=O)NCCN1C(=O)/C(=C\c2cc(Cl)ccc2O)SC1=S	1858586592	CFAVAWJBBLTFKG-KPKJPENVSA-N	356.856	2.383	10	10	FECE	
CCNCc1ccc(N(C)[C@H]2CCS(=O)(=O)C2)cc1Br	233512304	HLVBDPUZBFWPDL-ZDUSSCGKSA-N	361.305	2.182	10	10	FECE	
CNCc1ccc(N2CC[C@H](CS(C)(=O)=O)C2)cc1Br	2143675582	YFLHHSAAXKPYGQ-NSHDSACASA-N	361.305	2.039	10	10	FECE	
COC[C@H](CC(=O)N[C@@H](C)c1ccccc1O)NC(=O)OC(C)(C)C	2072470289	GGQCHBVRIORUDF-STQMWFEESA-N	352.431	2.499	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)COc1ccc(N)cc1	2106227921	HFEKSKNSAMXSQO-KGLIPLIRSA-N	363.458	2.267	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CCO)Cc1cc(N)ccc1O	2106675215	PWGWPMLNCGFZFF-MRXNPFEDSA-N	365.474	2.168	10	10	FECE	
CN(C)c1ccc([C@@H](O)[C@@]2(C(=O)O)CCN(C(=O)OC(C)(C)C)C2)cc1	2108577394	AVYNMNJXBLHHAW-DNVCBOLYSA-N	364.442	2.498	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](Nc2c(N)cccc2C(=O)O)CCO1	2108837800	LTAQRBHKKUIYIY-NEPJUHHUSA-N	365.430	2.451	10	10	FECE	
Cc1ccnc(-n2c(C)cc(C=C3C(=O)NC(=S)N(C)C3=O)c2C)c1	2293644678	DQJMMOQRQNVZOF-UHFFFAOYSA-N	354.435	2.054	10	10	FECE	
CC[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CCN1C[C@@H](C)O	181817876	NBGQLFOFYIJDFU-IEBWSBKVSA-N	372.513	2.049	10	10	FECE	
COc1ccccc1N1CC[C@@H](NC(=O)NCc2cccc(OC)c2O)C1	268302708	OQULDXFMOSQKJT-OAHLLOKOSA-N	371.437	2.488	10	10	FECE	
COc1ccc(N2CCC(N[C@@H](CO)C[C@H](O)C(C)(C)C)CC2)cc1	375267155	OTAXGMBFQOHAMQ-APWZRJJASA-N	350.503	2.412	10	10	FECE	
CN(C)CCCOc1cnccc1CNCc1cc2c(cc1O)OCO2	288412375	AQAHVZPVBPSAJI-UHFFFAOYSA-N	359.426	2.136	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@H](C)C3CCCC3)CC2)cc1	804316129	YPGSGMLDUUPESN-OAHLLOKOSA-N	373.497	2.475	10	10	FECE	
CS(=O)(=O)N1CC[C@@H](CN(Cc2ccco2)Cc2ccccc2O)C1	801522976	HXWCDPYNNJSBKZ-HNNXBMFYSA-N	364.467	2.269	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N[C@@H]3CCc4nc[nH]c4C3)CC2)cc1	811951404	DZEAVTSKGNBRTL-OAHLLOKOSA-N	369.469	2.244	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)c1	818360389	MGIJWZULRFXUNA-SHUKQUCYSA-N	362.426	2.449	10	10	FECE	
CN(C/C=C/c1ccc(N(C)C)cc1)CC(=O)N1CCC[C@H](C(=O)O)C1	901625532	DDDRDKFXZWFZTK-YXMMZVCTSA-N	359.470	2.021	10	10	FECE	
Cc1cc(CC(=O)N2CCN(CCO)[C@@H](C)C2)c(C)n1-c1ccccc1	832548549	VZILSDPJGZFBIJ-KRWDZBQOSA-N	355.482	2.162	10	10	FECE	
CN(C)c1ccc(/C=C/CNCC2(N3CCOCC3)CCOCC2)cc1	839165858	RXRGLOJNJCEKHM-ONEGZZNKSA-N	359.514	2.237	10	10	FECE	
O=C1CN(Cc2ccccc2O)C(=O)N1Cc1cnc(C(F)(F)F)nc1	849356097	CGISDTFZRMEPBK-UHFFFAOYSA-N	366.299	2.165	10	10	FECE	
C[C@@H](NC(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)c1ccccc1O	913763577	KPCOPSJLMSFRIF-PJQXDXOGSA-N	369.339	2.380	10	10	FECE	
CC(C)N1CC[C@@H](C(=O)NCc2ccccc2O)[C@H](c2cnn(C)c2)C1	849566289	ZXTUAAHYAALESE-MSOLQXFVSA-N	356.470	2.256	10	10	FECE	
CCCNCCNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	841868547	FZTKSAOUVXPGEN-UHFFFAOYSA-N	373.545	2.017	10	10	FECE	
CCOC(=O)[C@@H]1CCN[C@@H]1c1cc(I)ccc1O	1952826196	VNOXHLLCCLMEFD-SKDRFNHKSA-N	361.179	2.211	10	10	FECE	
CN(C)c1ccc(CN2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)cc1	852340932	ZSGCQWMTMCUVEK-KBPBESRZSA-N	350.406	2.160	10	10	FECE	
O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H]1CC[C@@H](C(F)(F)F)O1	925178097	RUXJZMHYKCQAFK-AAEUAGOBSA-N	358.316	2.266	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cn(CCC(C)C)nn3)C2)cc1	855229547	AIIPVRADJHOMIL-HNNXBMFYSA-N	357.458	2.342	10	10	FECE	
CCOC(=O)C1=CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	858600205	UOICABGSTKYBSH-CVEARBPZSA-N	373.453	2.225	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cccc(O)c3[N+](=O)[O-])C2)cc1	855227050	VKEUHEADCGRVOG-LBPRGKRZSA-N	357.366	2.318	10	10	FECE	
COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2Cc2ccc(N3CCOCC3)cc2)O1	930351323	OQODEWFVGSBEIQ-XLNTUCKNSA-N	374.481	2.207	10	10	FECE	
CC[C@H]1CN([C@H](CC)C(=O)NCc2ccc3cccnc3c2O)CCO1	862026701	XMPBLAJGABUZKT-DLBZAZTESA-N	357.454	2.446	10	10	FECE	
Cc1cccc(CN2CCO[C@H](CNC(=O)Cc3ccc(N)cc3)C2)c1	867997086	AQNJFHDALPJOLM-HXUWFJFHSA-N	353.466	2.137	10	10	FECE	
CNS(=O)(=O)c1ccc(CCN[C@@H](C)c2ccc(F)cc2O)cc1	866577655	GEQCNKBORLFGNQ-LBPRGKRZSA-N	352.431	2.333	10	10	FECE	
COc1ccc(N2CC[C@@H](CNS(=O)(=O)C[C@@H]3CCC3(F)F)C2)cc1	867428280	IJPQDNZXHCEQKC-KBPBESRZSA-N	374.453	2.486	10	10	FECE	
CN1CCCc2cc(CNC(=O)C(=O)NCC[C@@]3(C)CC3(F)F)ccc21	1118605050	ZLEZMUZAFKOATG-SFHVURJKSA-N	365.424	2.237	10	10	FECE	
COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(N2CCOCC2)c(F)c1	786578828	NHHSMCPGSSYZCL-BXWFABGCSA-N	362.445	2.436	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(C)[nH]c3C)cc2)CC1	786660512	YUTDCXYWHLQSMY-UHFFFAOYSA-N	354.454	2.230	10	10	FECE	
COc1cc(CN[C@@H]2C(=O)NCC23CCOCC3)c(O)c(C(C)(C)C)c1	895764770	IVHMNFJYQBUWOV-QGZVFWFLSA-N	362.470	2.083	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)C1(C(=O)N(C)C)CC1	791385172	LRERUEYUUVFRLS-UHFFFAOYSA-N	369.259	2.372	10	10	FECE	
O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)c1c(F)ccc(O)c1O	1306473381	XQMYALAQBDOFSG-HNNXBMFYSA-N	359.275	2.417	10	10	FECE	
C[C@H]1CN(c2ccnc(C(=O)NCc3c(O)cccc3O)c2)C[C@@H](C)O1	1304053894	VIOUISPNLVQRKU-BETUJISGSA-N	357.410	2.036	10	10	FECE	
COc1ccc([C@H](C)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)c(O)c1	2126902074	MFFGKQUJLCAAFM-VBNZEHGJSA-N	366.458	2.422	10	10	FECE	
CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(O)c(O)c(O)c1	2132392796	MHCRHSZQQNGYIO-GFCCVEGCSA-N	366.414	2.275	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H](CN=[N+]=[N-])C1)C1(O)CCC1	2131457269	NNMAPMSKMMQTBJ-OLZOCXBDSA-N	367.450	2.344	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C2CC3(C2)CS(=O)(=O)C3)cc1F	1346421324	KPYVKKWEQCJSHR-UHFFFAOYSA-N	368.474	2.113	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)N(C)C)cc1	1456938830	ZINXGUHVLDFJSD-QGZVFWFLSA-N	371.441	2.276	10	10	FECE	
COc1ccc(O)c([C@@H](C)N[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c1	1918713128	CNIHKILRSQKGOS-OLZOCXBDSA-N	366.458	2.422	10	10	FECE	
CO[C@@H](C)Cn1c(C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1	1618933877	OBCAHHCQZUKTHF-HNNXBMFYSA-N	359.474	2.094	10	10	FECE	
COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	1629283399	ALDICQJLHVLZGH-UHOOHFNOSA-N	373.327	2.311	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1	1557355072	BFCMTMHLDATROP-OAHLLOKOSA-N	361.486	2.237	10	10	FECE	
COc1cccc(CNC(=O)NCc2ccc3c(=O)cc[nH]c3c2)c1O	1635972511	ZSDICLXOAOXFIK-UHFFFAOYSA-N	353.378	2.242	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1ccc(S(=O)(=O)C(F)F)cc1	1639441033	GVXZVHGXGVCECX-UHFFFAOYSA-N	357.334	2.024	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC(=O)N(CC2CC2)C1	1565265923	BTXNCKHZGROMJN-KRWDZBQOSA-N	358.486	2.295	10	10	FECE	
CC(C)(C)OC(=O)Nc1cnc(C(=O)NCc2c(O)cccc2O)cn1	1645363445	VLOAMOXPAYKLCC-UHFFFAOYSA-N	360.370	2.165	10	10	FECE	
COc1cc(N2CC(c3n[nH]c4c3COCC4)C2)c([N+](=O)[O-])cc1OC	1651522772	ZAIADUIINUVGGA-UHFFFAOYSA-N	360.370	2.012	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCC[C@H]2CN=[N+]=[N-])C[C@@H](O)C1(C)C	1879106972	NBYWCUCMPWOETP-XWCIJXRUSA-N	367.450	2.342	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)N2C[C@H]3[C@H](C2)C3(F)F)N(C)C)cc1	899097839	HUZOYLKERLBDNP-JYJNAYRXSA-N	352.429	2.262	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(O)c(O)c2)c2cncnc21	2174805369	TWFLDZNRGHCMEQ-UHFFFAOYSA-N	372.381	2.290	10	10	FECE	
CN(CCc1nc(=NCc2ccc(N(C)C)cc2)[nH][nH]1)C(=O)OC(C)(C)C	2185279960	QXUNKYKGNQGKOA-UHFFFAOYSA-N	374.489	2.314	10	10	FECE	
COC(=O)[C@H](CCNCc1c(O)cccc1F)NC(=O)OC(C)(C)C	2042600488	ZWVKBQQVEQGDNP-ZDUSSCGKSA-N	356.394	2.077	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CN1CCO[C@@H]2CCNC[C@@H]21	2185534810	WWQYYBXLJWEWHJ-QWHCGFSZSA-N	361.667	2.371	10	10	FECE	
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1ccccc1O	2060387034	GWFOUGPMMUQYIF-DOMZBBRYSA-N	352.431	2.451	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)N1CCC(CN=[N+]=[N-])CC1	2060635806	PNQNXZIERRMZDQ-CYBMUJFWSA-N	355.439	2.201	10	10	FECE	
CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CC(=O)C(=O)C[C@H]1C[C@H](N)C1	2080209926	FHPGIABKGOVONZ-IJLUTSLNSA-N	360.401	2.287	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](NCc2ccc(O)cc2O)C[C@]12CCOC2	2098979028	ZCYXMEUDBUVPDT-LIRRHRJNSA-N	364.442	2.356	10	10	FECE	
Nc1ccc(OCCC(=O)N[C@]23C[C@@H]2CN(Cc2ccccc2)C3)cc1	2099676726	RWPVBVAWYJBBLQ-UTKZUKDTSA-N	351.450	2.428	10	10	FECE	
CN(Cc1cc(N)ccc1O)CC1(O)CCN(Cc2ccccc2)CC1	2270924209	HYCXWDHASPJCPW-UHFFFAOYSA-N	355.482	2.433	10	10	FECE	
C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@H]1CCCN1C(=O)OC(C)(C)C	2271393857	FWPSVWPPIRVBGF-ZYHUDNBSSA-N	366.414	2.321	10	10	FECE	
COc1cccc(NC=C2C(=O)N(c3ccc4nnc(C)n4n3)N=C2C)c1	2297089957	NMEWGCARKSELEC-UHFFFAOYSA-N	363.381	2.160	10	10	FECE	
CCN(CC)CCC[C@@H](C)NC=C1C(=O)NC(=O)N(c2ccccc2)C1=O	2297315676	CAPPNECGWSHKOZ-OAHLLOKOSA-N	372.469	2.253	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)Nc3nncs3)cc2F)CC1	171687171	AJDJPFFGQMIINV-UHFFFAOYSA-N	364.450	2.141	10	10	FECE	
COc1ccc(O[C@H](C)C(=O)NC2=NN(c3ccccc3)C(=O)C2)cc1	21024980	RKONBYHBRYUTQA-CYBMUJFWSA-N	353.378	2.329	10	10	FECE	
C[C@@H](NC(=O)Cc1nc(C2CCOCC2)n[nH]1)c1ccc(N(C)C)cc1	1346592514	VFLNBSWGOLXUDE-CYBMUJFWSA-N	357.458	2.185	10	10	FECE	
CCCOc1ccc(CN2CCc3cc(S(N)(=O)=O)ccc32)c(O)c1	127256065	SWTSJAXCMWOJCD-UHFFFAOYSA-N	362.451	2.391	10	10	FECE	
COC(=O)/C=C/c1ccc(N(C)C2CCS(=O)CC2)c([N+](=O)[O-])c1	301471914	KHYBUABODIMOPK-GQCTYLIASA-N	352.412	2.128	10	10	FECE	
Cc1ccc(-n2c(C)cc(C(=O)CN3C[C@H](O)C[C@@H]3CO)c2C)cc1C	184741766	MVMUXFQMYZXWAI-RTBURBONSA-N	356.466	2.321	10	10	FECE	
Cc1cnn(Cc2cc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)no2)c1	183471037	TWFQTZKMZBLIMB-GFCCVEGCSA-N	356.382	2.000	10	10	FECE	
CN1CCN[C@H](c2cc(Br)cc(Br)c2O)C1=O	1951870791	HKFJOVHFKRYFNJ-SECBINFHSA-N	364.037	2.020	10	10	FECE	
C[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCCO1	80010416	KTMAOIQGOLLWAG-BEFAXECRSA-N	361.486	2.262	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)N(C)[C@H]3CCOC3)cc2F)C[C@@H](C)O1	264442775	WXEDOLXWSSGXTG-FMKPAKJESA-N	365.449	2.370	10	10	FECE	
Cc1cc(Cl)cc(CNC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1O	373189979	KEDJEOUEWVQKRB-PXAZEXFGSA-N	351.834	2.164	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]12[C@H]3C(=O)[C@H]4[C@H]5C[C@@H]([C@@H]41)[C@@H]2[C@H]53	800467064	KOSFMJWKXFMSLK-JAUVUZIBSA-N	350.462	2.428	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)c1ccc([N+](=O)[O-])cn1	804737478	SARIDNDGQGHXJZ-UHFFFAOYSA-N	352.144	2.388	10	10	FECE	
CC[C@@H]1OCC[C@H]1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	822359720	ILLIXBYBSMXERS-CJNGLKHVSA-N	354.397	2.233	10	10	FECE	
C[C@H]1CC[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CS1(=O)=O	821999809	FRPSUDRFEQDXOB-GXTWGEPZSA-N	366.483	2.036	10	10	FECE	
COC(=O)CC[C@@H]1CC[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)O1	821070666	JWMPENZQFJRSQT-KBXCAEBGSA-N	361.438	2.388	10	10	FECE	
CC(C)[C@H](NC(=O)c1ccccn1)C(=O)NCc1ccc(N(C)C)c(F)c1	727309171	CTJJSVXPKAXXDC-SFHVURJKSA-N	372.444	2.358	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCc2nc[nH]c2C1	828149001	DLWXHOBZJKORNP-QGZVFWFLSA-N	368.481	2.040	10	10	FECE	
CCc1ccc(N(CC2CC2)C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)cc1	836834953	FRDLXONPWMVGCD-XFXZXTDPSA-N	367.449	2.103	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cn(C)c(O)n1	830149603	HLHIMSZDTBEMSB-UHFFFAOYSA-N	354.204	2.256	10	10	FECE	
COc1ccc(N2CCN(CCCNCc3cnc(C)nc3)CC2)cc1	917138976	CUOAREQVXGCCIJ-UHFFFAOYSA-N	355.486	2.096	10	10	FECE	
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)C[C@H](c2ccc(F)cc2)O1	841049897	XMDAVZAAJJKSIV-SJKOYZFVSA-N	357.385	2.335	10	10	FECE	
CC(C)(C(=O)O)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	844252437	QWOQDWBBLKOHJA-LLVKDONJSA-N	356.369	2.484	10	10	FECE	
Cc1cnc(C)c(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c1	845886525	LFIKFBRKWYOSKY-UHFFFAOYSA-N	350.422	2.330	10	10	FECE	
C[C@H](NC(=O)NCCN1Cc2ccccc2OCC1=O)c1ccccc1O	924524503	BPAIGNNPMBBNSO-AWEZNQCLSA-N	369.421	2.174	10	10	FECE	
O=C(CN1CC[C@@H](c2ccccc2)NC1=O)NCc1c(O)cccc1F	928708254	BOFXEMXTZGQWAC-INIZCTEOSA-N	357.385	2.304	10	10	FECE	
O=C(NCc1c(O)ccc2c1CCCC2)NCC1(C2(O)CCOCC2)CC1	925648540	CBXSUYAGAHBQOM-UHFFFAOYSA-N	374.481	2.392	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CCc3ccccc3C(N)=O)C2)cc1	855225399	MSXXZKDWOAORNL-INIZCTEOSA-N	367.449	2.122	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@@H]3[C@H]4C[C@@H]5CO[C@@H]3[C@H]5C4)CC2)cc1	868901721	AFVVEOGHVNRYJR-OBNKQFAMSA-N	371.481	2.340	10	10	FECE	
O=C(C1CCCCC1)N1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1	768441185	WYFVMQNCJIKXDT-GOSISDBHSA-N	360.454	2.043	10	10	FECE	
COC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)cc1	797819568	MTJCHDVKRHZPKD-BJMVGYQFSA-N	363.391	2.388	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1cn2ccc(Br)cc2n1	1162278235	FUJPYUBTPCJXKX-UHFFFAOYSA-N	362.183	2.438	10	10	FECE	
CC(C)C[C@H](NC(=O)N[C@H](C)c1ccccc1O)C(=O)N1CCOCC1	1312913913	VLDWJIXWSKKQQM-ZBFHGGJFSA-N	363.458	2.026	10	10	FECE	
CO[C@@]1(C(=O)NCc2ccccc2O)CCCN(C(=O)OC(C)(C)C)C1	2124169476	QDGIUYSOZUUYHD-IBGZPJMESA-N	364.442	2.425	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H](CN=[N+]=[N-])C1)[C@@H]1CCOC1	2124514855	ZNOBXTQVZDJKQO-MCIONIFRSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOCC[C@@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2124539582	XHOIGFFPASWXAL-MELADBBJSA-N	367.450	2.465	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)NC[C@@H](O)c3cnc[nH]3)c2C)cc1	1347290923	HVBQLMXOEHLTQW-GOSISDBHSA-N	354.410	2.289	10	10	FECE	
COc1cccc(F)c1CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	1341252282	UCANBOZNTKIZBQ-ZDUSSCGKSA-N	373.428	2.394	10	10	FECE	
CC(=O)NCCCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1O	1359456605	FYECEJXYVZEZLP-UHFFFAOYSA-N	368.441	2.141	10	10	FECE	
O=C(NCc1cc(Cl)ccc1O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1	1452947292	QPXJAOTUFPSGJK-UHFFFAOYSA-N	373.756	2.465	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCN(c2ncccn2)CC1	1290073261	NBPXKWPUZQEIGM-UHFFFAOYSA-N	356.407	2.065	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1ccc(Cc2nnc3n2CCC3)cc1	1616283139	DPSRHWXYVAYSFG-UHFFFAOYSA-N	364.405	2.408	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCC1(N2CCSCC2)CCCC1	1629934090	KLZBBLIUJGNUBU-UHFFFAOYSA-N	350.484	2.118	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CC(=O)NCc1ccc(O)cc1O)C(F)F	1626850439	VOAIZPMRWWCHTQ-NSHDSACASA-N	360.357	2.263	10	10	FECE	
COc1ccc(CNC(=O)c2ccc3nc(C(C)(C)CO)[nH]c3c2)c(O)c1	1633926537	HNQBKPABRSQKPO-UHFFFAOYSA-N	369.421	2.477	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCOC[C@@H]1C[C@@H](O)c1cccs1	1631589642	NSAGRDAVULSKOM-XJKSGUPXSA-N	363.435	2.053	10	10	FECE	
Cc1cc(C(=O)NCC(=O)N[C@H](C)c2ccccc2O)ccc1[N+](=O)[O-]	1587444699	MUMSUQGERHMDIY-GFCCVEGCSA-N	357.366	2.216	10	10	FECE	
COCCn1c(Cc2cccnc2)nnc1N(C)Cc1ccccc1O	1769863371	GYGOEZXWSYPDQB-UHFFFAOYSA-N	353.426	2.252	10	10	FECE	
Cc1cccc(CNC(=O)C[C@@H]2COCCN2C(=O)OC(C)(C)C)c1O	2139741766	PBNXYGKVEGDQMM-OAHLLOKOSA-N	364.442	2.343	10	10	FECE	
CSc1ccc(/C=C2/SC(=S)N([C@H](C(=O)O)[C@H](C)O)C2=O)cc1	1858592561	SNEZCPNJAFZUSH-ICKMXJIXSA-N	369.489	2.444	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]1(C(=O)NCc2ccccc2O)CCCO1	1966109452	SSLDWNAHIALZLG-GOSISDBHSA-N	350.415	2.082	10	10	FECE	
O=C(c1ccc(O)c(O)c1)N1CC[C@](COCc2ccccc2)(C(=O)O)C1	2159917899	MSJBKOUFUVQSPR-FQEVSTJZSA-N	371.389	2.232	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H](O)[C@H](F)C3)ccc(N)c2C1	2031869457	FSZVQKCEBXKTBF-CZUORRHYSA-N	351.422	2.081	10	10	FECE	
CC(C)(C)OC(=O)NC[C@](C)(CC(=O)C(=O)C[C@H]1C[C@H](N)C1)C(F)F	2059444237	LUGQZHWOQDQBFD-DINDLPBHSA-N	362.417	2.438	10	10	FECE	
CO[C@H]1C[C@@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060610011	CJNUYXQGQQIJLF-AVGNSLFASA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(CNC(=O)CCc2ccc(N)cc2)CCOC1	2106230492	MUOUMIKNIXENOG-LJQANCHMSA-N	363.458	2.001	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)COc2ccc(N)cc2)CN(C(=O)OC(C)(C)C)C1	2106257135	GXPNJKPNTAAQOE-DZGCQCFKSA-N	363.458	2.409	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(NC(=O)Nc3ccc(N)cc3)(CO1)C2	2106289107	WRRNZGOFXZBWNZ-UHFFFAOYSA-N	362.430	2.217	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-]	2218738515	PRBCVUUSQUBAAH-UMSGYPCISA-N	353.423	2.264	10	10	FECE	
COc1ccc(N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)cc1OC	2219641903	YENOXOYEVNQEHS-UONOGXRCSA-N	352.431	2.168	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)N1CCC[C@@H]1CN=[N+]=[N-])[C@H]1CCOC1	2259890345	UKKXZCSBGQRJQG-OLZOCXBDSA-N	353.423	2.314	10	10	FECE	
CN1C(=O)C(=Cc2nc3ccccc3c(=O)n2CCCO)c2ccccc21	2296839408	KOTYTERACLWGKP-UHFFFAOYSA-N	361.401	2.296	10	10	FECE	
COc1cccc(CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)n1	108791115	LSGJYUYPSASPJH-JXMROGBWSA-N	353.422	2.256	10	10	FECE	
C[C@@H](N)c1ccc(N2CC[C@@H](N3CCOCC3)C2)c(Br)c1	109572590	GRXHXQMMIMLRSF-TZMCWYRMSA-N	354.292	2.380	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NCC2CCN(CCO)CC2)cc1	171903042	VCDNDSBVXOKUBS-UHFFFAOYSA-N	362.518	2.036	10	10	FECE	
Cc1noc([C@H](C)N2CCN(C(=O)NCc3ccc(N(C)C)cc3)CC2)n1	111416355	ITTXIZZJPILWST-AWEZNQCLSA-N	372.473	2.032	10	10	FECE	
O=C(NCc1nncn1C1CC1)c1cccc2c1C(=O)c1ccccc1C2=O	175347359	YZSZBXJOVJVBAG-UHFFFAOYSA-N	372.384	2.318	10	10	FECE	
Cc1ccc(CN2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c(O)c1Br	2380733212	NIRZGLJODSHRHA-GHMZBOCLSA-N	362.289	2.471	10	10	FECE	
COc1ccc(N2CCCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC2)cc1	804364666	WDIOPUVSCFUKNG-UHFFFAOYSA-N	372.425	2.395	10	10	FECE	
O=C(NCc1cscn1)C(=O)N(Cc1ccco1)Cc1ccccc1O	804020620	GWENLLVGOHWCCC-UHFFFAOYSA-N	371.418	2.287	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)Cc1ccc(Cl)nc1	297879975	PUUOGXAIDNAPMU-UHFFFAOYSA-N	374.872	2.418	10	10	FECE	
CC(=O)C(=O)COC(=O)C[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	808528306	XBOAAXQVHDOXTO-GXTWGEPZSA-N	355.431	2.361	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H](C)n1nc(C)cc1C	819696104	LMBQWOBWSUQELI-OAHLLOKOSA-N	359.426	2.358	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N2C[C@H]3COC[C@@H](C2)O3)CCCC1	652002933	CGCOKWREDBBNMT-IYBDPMFKSA-N	370.449	2.155	10	10	FECE	
CNC(=O)[C@@H]1CN(C(=O)/C=C/c2cnc3ccccc3n2)c2ccccc2O1	728222181	QWCAFSRCUAPHQV-VYENPZKTSA-N	374.400	2.183	10	10	FECE	
COC(=O)C1CC2(C1)CN(Cc1cc(Cl)cc(F)c1O)C[C@H]2C(=O)O	903694785	GLZCCRCODLOPGG-FBWYHRDQSA-N	371.792	2.271	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)COc3ccc(N)cc3)C[C@H]2C1	1892507933	JRRRUXGFRDSKBZ-ORAYPTAESA-N	361.442	2.163	10	10	FECE	
CC[C@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)[C@@H](O)C(F)F	837882583	PUBMRVDEOREFOC-UHOFOFEASA-N	371.428	2.288	10	10	FECE	
COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1c(O)ccc2ccccc12	747829035	BUNPAQFZJGJDBO-RWQQGDIJSA-N	369.417	2.470	10	10	FECE	
COC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)c1cc2cc(O)c(O)cc2s1	913437147	OXONOFHEHGNBCQ-QGHHPUGFSA-N	365.407	2.105	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCc3nc(N)sc3C2)c([N+](=O)[O-])c1	917062596	FQLIESUTMONZEV-HYXAFXHYSA-N	360.395	2.382	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCc1nnc(O)n1C1CC1	923873334	ZZCSWBZXNLIESD-ZDUSSCGKSA-N	372.473	2.123	10	10	FECE	
O=C1N=C(N2CCOCC2)S/C1=C/c1c(F)cncc1Br	849243136	GOMHGEROQDZPDX-VZUCSPMQSA-N	372.219	2.286	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@H](O)CC34CCC4)C2)cc1	852449435	SQWYFJUOKUSRAY-NVXWUHKLSA-N	359.470	2.363	10	10	FECE	
Oc1cccc(Br)c1CNC[C@@H]1CCN1C1CCOCC1	922953366	APGSUIDHJPSUKX-ZDUSSCGKSA-N	355.276	2.498	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3cscc3C)C2)cc1	850537034	MMVWBGOTEZHVOZ-CYBMUJFWSA-N	359.451	2.399	10	10	FECE	
COC(=O)/C=C\c1ccc(N2C[C@H](SC)[C@@H](N(C)C)C2)c([N+](=O)[O-])c1	759278265	MXYQKFRNNQZHRV-KXVKIKSLSA-N	365.455	2.263	10	10	FECE	
Cc1nn(-c2cccnc2)nc1C(=O)NCCCSc1nccs1	865784104	WQHFBCQSKLDROC-UHFFFAOYSA-N	360.468	2.339	10	10	FECE	
Cn1cnc2cncc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)c21	866899754	NHFSSKLHTUMAFO-OAHLLOKOSA-N	366.421	2.495	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)cc1	776270691	FWIACLOOTBJRPS-LJQANCHMSA-N	357.410	2.459	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3coc(C4CC4)n3)CC2)cc1	777240358	ATLPLLDVHUPUNW-UHFFFAOYSA-N	370.453	2.113	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)C3(C(F)(F)F)CC3)cc2)CC1	786655787	ISOVCTHXGRUGDJ-UHFFFAOYSA-N	369.387	2.314	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC(n3cncn3)CC2)c([N+](=O)[O-])c1	1074899551	KJPWTAHYQZCARE-HYXAFXHYSA-N	357.370	2.214	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCn3c(C)nnc3[C@H]2C)c([N+](=O)[O-])c1	1164400460	DTTKRRAJFDHYGZ-JPVGGKMYSA-N	357.370	2.262	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1cccc(NC(=O)[C@@H]2CCCO2)c1	1162271802	RTAYRJNJSWFUHP-KRWDZBQOSA-N	356.378	2.145	10	10	FECE	
COCC[C@@H](CNCc1ccc(OC)cc1O)NC(=O)OC(C)(C)C	1462149174	QHDMFAFMJHDDMW-AWEZNQCLSA-N	354.447	2.420	10	10	FECE	
C[C@H](NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C1)c1c(O)cccc1O	2116205119	IEVWGLCOQAULBG-WFGGJUAMSA-N	366.458	2.413	10	10	FECE	
C[C@H](C(=O)N1CCC[C@@H](N=[N+]=[N-])C1)N1CCN(C(=O)OC(C)(C)C)CC1	2124510828	BEHOLEKATHNMJH-ZIAGYGMSSA-N	366.466	2.229	10	10	FECE	
C[C@H](N=c1nc(C2CN(C(=O)OC(C)(C)C)C2)[nH][nH]1)c1ccccc1O	2127693041	MRVQKIHCLOMSFH-NSHDSACASA-N	359.430	2.440	10	10	FECE	
CO[C@@H]1CCC[C@@H]([C@@H](CO)NC(=O)NCc2ccc(N(C)C)c(F)c2)C1	1347236807	BRWFANBFHGRDQM-BFYDXBDKSA-N	367.465	2.257	10	10	FECE	
CCOC(=O)[C@H](CC(=O)NCc1ccc(N(CC)CC)c(F)c1)C(C)=O	1293224903	IPKHDEMBISKKGU-OAHLLOKOSA-N	366.433	2.447	10	10	FECE	
CCN[C@@H](c1ccccc1O)[C@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	2136027337	JAZAADZNEZXSCM-YESZJQIVSA-N	366.458	2.040	10	10	FECE	
CC(=O)CC1(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCC1	1464364785	XUMJWZYFAVFVEL-KRWDZBQOSA-N	371.481	2.154	10	10	FECE	
CN[C@H](c1ccccc1O)[C@]1(O)[C@@H](NC(=O)OC(C)(C)C)COC1(C)C	2136989595	XNFTZJQRFCOULX-QMTMVMCOSA-N	366.458	2.086	10	10	FECE	
CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(O)c3F)c2)CC1	1556218817	CLHPFJMNXVXICN-UHFFFAOYSA-N	357.385	2.452	10	10	FECE	
CCOCn1nc(C)c(C[C@H](C)C(=O)NCc2cc(O)ccc2O)c1C	1637126254	PXBAOXVMKZJRRT-LBPRGKRZSA-N	361.442	2.400	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCC(O)(Cc2ccccc2F)CC1	1568347726	KZUDLDYETCXQTI-UHFFFAOYSA-N	359.397	2.376	10	10	FECE	
CCc1ccccc1-n1cc(O)c(C(=O)NCc2ccc(O)cc2O)n1	1570463135	HMMAJGLZSJIQDM-UHFFFAOYSA-N	353.378	2.482	10	10	FECE	
NC(=O)c1ccc(C(=O)NCc2ccc3cccnc3c2O)nc1Cl	1570533660	LORZIJGBLCWVID-UHFFFAOYSA-N	356.769	2.018	10	10	FECE	
C[C@@H]1OCC[C@@]1(O)Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O	1743382446	GKHWNPIVQBLYLQ-ORAYPTAESA-N	358.442	2.037	10	10	FECE	
CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1C[C@@H]1C	1741640884	AJBWYXQFPAPDLW-DZGCQCFKSA-N	357.458	2.414	10	10	FECE	
COc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)C(=O)NC2=S)cc1	1514541	BHRMMFLIPGCPOU-XNTDXEJSSA-N	354.387	2.232	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@@H]2CCC[C@]2(C(N)=O)C1	1686827109	WFNHOHCBENGRHM-WJPUGNRLSA-N	372.513	2.289	10	10	FECE	
COC(=O)/C=C\c1ccc(N2C[C@H](C)O[C@]3(CCOC3)C2)c([N+](=O)[O-])c1	1773003280	YOAPLRISAMTELJ-FPSANXDJSA-N	362.382	2.165	10	10	FECE	
COc1ccc(C)cc1S(=O)(=O)NC(=S)Oc1ccc(N)cc1	1858615068	UNUVVKUQEGCFDN-UHFFFAOYSA-N	352.437	2.228	10	10	FECE	
O=C1/C(=C\c2cc(Cl)ccc2O)SC(=S)N1CCOCCO	1858589438	QWQFKJWZSWLBGG-XYOKQWHBSA-N	359.856	2.256	10	10	FECE	
C[C@H]1N(C(=O)OC(C)(C)C)C[C@]1(O)[C@H](N)c1ccc2c(c1)CCCN2C	1887683379	INDAFYLTVFWDGY-YXKFXFPPSA-N	361.486	2.439	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](CNCc2ccc(O)c(O)c2)CO1	2041186663	IPXPMRXBTJEAAI-KGLIPLIRSA-N	352.431	2.117	10	10	FECE	
O=C1NN(c2ccc(F)c(Cl)c2)C(=O)C1=Cc1ccc([N+](=O)[O-])o1	2053600775	MSYMKEYWUWVZQY-UHFFFAOYSA-N	351.677	2.442	10	10	FECE	
Nc1ccc(CS(=O)(=O)NC2[C@H]3C[C@H]2CN(Cc2ccccc2)C3)cc1	399613988	GCVGXBKRHRMATN-ROUUACIJSA-N	371.506	2.209	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](O)(CNCc2ccc(F)c(F)c2O)C1	897695921	VRKQKNGXZJEXBD-QGZVFWFLSA-N	358.385	2.132	10	10	FECE	
CN[C@@H](C)c1ccc(N2CC[C@H](S(C)(=O)=O)C2)c(Br)c1	2179926903	RBHNQKKGEDDOOV-JQWIXIFHSA-N	361.305	2.353	10	10	FECE	
COc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(OC)c1OC	13546924	LEOLGDYFNZRPQO-RAXLEYEMSA-N	374.393	2.117	10	10	FECE	
COC[C@@]1(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)CCCN1C(=O)OC(C)(C)C	2060615016	JWGXCJPEMWAWRD-MLGOLLRUSA-N	353.423	2.314	10	10	FECE	
COC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1	2060637362	KGCRLOOZBGGFPQ-OPGSHWCFSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1Cc2nccn2C[C@H](NCc2ccc(N)cc2)C1	2107113631	GSPBDDOUIJOKEF-INIZCTEOSA-N	357.458	2.374	10	10	FECE	
CCCS(=O)(=O)CCNCc1c(Br)ccc(OC)c1O	2236041150	GSVHPBNUYLINKJ-UHFFFAOYSA-N	366.277	2.078	10	10	FECE	
Cn1cc([C@H]2CCN(C(=O)C=Cc3ccc(N4CCOCC4)cc3)C2)cn1	2297587022	KCAKXXUAALMQOU-SFHVURJKSA-N	366.465	2.286	10	10	FECE	
CCOC(=O)C[C@@H](C)CNC(=O)C=Cc1ccc(N2CCOCC2)cc1	2304649634	HQHSNMNXECZOKJ-MRXNPFEDSA-N	360.454	2.242	10	10	FECE	
Nc1ccc(OCCC(=O)N[C@@H](CCO)COCc2ccccc2)cc1	2343434358	BJXDSCVGZXDIDE-SFHVURJKSA-N	358.438	2.122	10	10	FECE	
NC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)c1	79244440	PNHPNMLKHPJWPZ-UHFFFAOYSA-N	360.420	2.105	10	10	FECE	
O=C(NCCN1CCCCC1)NCc1ccc(N2CCC(CO)CC2)cc1	79948096	SLSHHDREUVTYJS-UHFFFAOYSA-N	374.529	2.180	10	10	FECE	
COc1cc(N2CCN(Cc3cc4c(cc3O)CCCC4)CC2)ncn1	185610835	FGGKMLMRIDHFCM-UHFFFAOYSA-N	354.454	2.392	10	10	FECE	
Cc1cc(C(=O)CN2C[C@H](O)C[C@@H]2CO)c(C)n1-c1ccc2c(c1)CCC2	184723963	ZDXUIXQIDBKYHA-WOJBJXKFSA-N	368.477	2.193	10	10	FECE	
COc1ccc(N2CCCN(C(=O)Nc3ccc(=O)n(C)c3)CC2)cc1	194828118	WKLZXBXMWIDPPR-UHFFFAOYSA-N	356.426	2.138	10	10	FECE	
CCn1cc([N+](=O)[O-])c(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)n1	191592938	WKSBLJMFJHCSHQ-UHFFFAOYSA-N	373.413	2.219	10	10	FECE	
Cc1noc(C2CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)CC2)n1	91455198	DQBNRJRMNNMMER-UHFFFAOYSA-N	359.342	2.001	10	10	FECE	
O=C1N[C@H](C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CS1	361363527	GTEKTEFJNZNWRE-ZDUSSCGKSA-N	371.409	2.198	10	10	FECE	
CC(=O)C(=O)COC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1	808508009	OJXSXIAVIOUAHP-NSHDSACASA-N	371.349	2.478	10	10	FECE	
COCc1csc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1	806988914	YVKGSZLIDDTTNZ-LLVKDONJSA-N	362.455	2.171	10	10	FECE	
COC[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1	817833714	OKEXBGGVRUUADR-HOTGVXAUSA-N	361.486	2.205	10	10	FECE	
Cc1cc(O)c(CN[C@H]2CCCN(Cc3nccn3C)C2=O)cc1Cl	825484182	IKQJATDEQLGIPS-HNNXBMFYSA-N	362.861	2.368	10	10	FECE	
COc1ccc(N2CC[C@H](NCc3ccc4c(c3)NC(=O)CO4)C2)cc1	826845084	DZIIJVIRIDFKTK-HNNXBMFYSA-N	353.422	2.395	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(N2CCOCC2)cc1	834664594	FHRNNZCYABYBKB-DZOHQFGASA-N	371.481	2.005	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N(C[C@@H]1CCCN1)C1CC1	588533956	YFFIWQIZKZGQSD-CXKPLTABSA-N	355.482	2.279	10	10	FECE	
O=C(COC(=O)[C@@H]1CNC(=O)N1)Nc1ccc(N=Nc2ccccc2)cc1	732359823	BFQWNLJBUONPAK-HNNXBMFYSA-N	367.365	2.265	10	10	FECE	
C[C@H](CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1)N1CCCCC1=O	588563478	LGOMFAHJJPLEOC-CGQZWFTASA-N	371.481	2.054	10	10	FECE	
Cc1c(C[C@@H](CN)CN(Cc2ccccc2O)C[C@@H]2CCCO2)cnn1C	903906084	RMBVIVSOPAAGMY-PXNSSMCTSA-N	372.513	2.233	10	10	FECE	
CON(C)C(=O)[C@H](CCSC)NC/C=C\c1ccc(N(C)C)cc1	835041048	JBDXOOLDPVFMHF-TUYSUELWSA-N	351.516	2.497	10	10	FECE	
CCON(C)C(=O)CNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC	846506937	TYZYRKJZXNRZPG-UHFFFAOYSA-N	361.442	2.044	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)NC3(C(=O)N(C)C)CC3)c2C)cc1	840505778	PWLAFXDWIQVIQD-UHFFFAOYSA-N	355.438	2.453	10	10	FECE	
C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CC1=O	750634626	IEKQSWIALDJCND-HFTRVMKXSA-N	356.470	2.095	10	10	FECE	
CCc1onc(C)c1CNC(=O)C(=O)NCc1ccc(N(CC)CC)cc1	929525797	BXZOKYHBOYHDOC-UHFFFAOYSA-N	372.469	2.324	10	10	FECE	
C[C@@H](NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)c1ccccc1O	827956375	LHYFHLAOLAPHDQ-OCCSQVGLSA-N	351.447	2.024	10	10	FECE	
CO[C@H](CNC(=O)NCc1cccc(Br)c1O)[C@H]1CCOC1	852437944	KLVRKFABBLZCGN-WCQYABFASA-N	373.247	2.005	10	10	FECE	
CCOc1ccc(CN2CCN(c3ccc(F)cc3C(N)=O)CC2)c(O)c1	857067066	CWMYOOCQGKLNJN-UHFFFAOYSA-N	373.428	2.351	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCc3occc3[C@@H]2C(=O)O)cc1F	864520736	DYDVCIJOULJWSP-MRXNPFEDSA-N	361.373	2.378	10	10	FECE	
C/C=C/C[C@@H]1NC(=O)N(Cc2ccc(N3CCC(O)CC3)c(F)c2)C1=O	761096699	DXRGBTDGBKGZSA-KZSQQDEKSA-N	361.417	2.173	10	10	FECE	
COCCN(Cc1cc(Br)cc(OC)c1O)[C@@H]1CCOC1	787336143	ZJWYCVSYGBIXFI-CYBMUJFWSA-N	360.248	2.401	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc4nn[nH]c4cc3F)CC2)cc1	781883601	BNLUVKPMCMUVIJ-UHFFFAOYSA-N	355.373	2.068	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)NCC(=O)NCC(C)C)CCCC1	1124650057	DYQMKZKWQMATEE-UHFFFAOYSA-N	371.481	2.417	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N2CN(C)C(=O)[C@H]2C)CCCC1	1130729938	HAPAMIKSMBNQHQ-CYBMUJFWSA-N	355.438	2.175	10	10	FECE	
COC(=O)[C@@H]1[C@H](CNCc2cccc(Br)c2O)C1(F)F	894571210	NUABEJRIRMHDFX-WPRPVWTQSA-N	350.159	2.299	10	10	FECE	
CCNS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](C)c2ccccc2O)c1	1302530156	BZCZTTSOYJVPSC-LLVKDONJSA-N	366.414	2.321	10	10	FECE	
CCOC(=O)[C@H]1[C@H]2CN(c3ccc(/C=C/C(=O)OC)cc3[N+](=O)[O-])CC[C@H]21	1307207138	KWNCJBPGZTWZNC-TVHVHZJGSA-N	374.393	2.416	10	10	FECE	
Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)NCc1c(O)cccc1F	1178409532	FXDLMEXLUMLAKX-CXUHLZMHSA-N	371.347	2.280	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)Nc2ccc(N)cc2)C[C@@H]1O	2116204455	BSTVYTRYAYKGNN-GLQYFDAESA-N	364.446	2.055	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H]1CCOC1(C)C	1347715267	DYHCXRBUCRXWHQ-INIZCTEOSA-N	361.486	2.032	10	10	FECE	
Oc1ccsc1-c1nnc(N2CC[C@@H](Cn3ccnn3)C2)n1CC1CC1	1345816951	PADSKLXUGQBMBS-CYBMUJFWSA-N	371.470	2.240	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](C)(CNC(=O)c2cc(O)c(O)c(O)c2)C1	2132408233	VHJPGFXSUGFVOA-SFHVURJKSA-N	366.414	2.180	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(C(N)=S)cc1	1451912479	GROFYTDLGVQOFS-UHFFFAOYSA-N	372.446	2.232	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2Cc3cccnc3C2)N(C)C)cc1	1520647811	WZYNZEHRHUIQOK-XLIONFOSSA-N	352.482	2.282	10	10	FECE	
O=C(NCc1cccc(O)c1O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1	1521852238	STYVCSRKZJRNFT-AWEZNQCLSA-N	374.824	2.416	10	10	FECE	
C[C@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccn1	1543379227	ZXGMUYIAROMCRZ-DOTOQJQBSA-N	366.465	2.203	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-n2ccnc2O)cc1	1556158035	QAEGCVVJGKQVTG-GFCCVEGCSA-N	353.378	2.350	10	10	FECE	
CN(C)[C@H]1COC[C@H]1CNCc1cc(Cl)cc(Br)c1O	1924650858	ZCCTZEIQZDGUFZ-MFKMUULPSA-N	363.683	2.474	10	10	FECE	
O=C(NCc1cccc(Cl)c1O)c1ccc(CN2C(=O)CNC2=O)cc1	1647826951	QDBBGIJRWCKAGN-UHFFFAOYSA-N	373.796	2.027	10	10	FECE	
COc1ccc(N(Cc2ccco2)Cc2nnc3c(=O)[nH]ccn23)cc1F	1653581100	GXJZOCWYUPNHRQ-UHFFFAOYSA-N	369.356	2.365	10	10	FECE	
Cc1nc(N2CCCC2)ccc1NC(=O)C(=O)N(C)Cc1ccccc1O	161048403	GMUWDMMWNVGQFR-UHFFFAOYSA-N	368.437	2.293	10	10	FECE	
CN1CCc2cc([C@@H](N)c3cn(C)nc3CNC(=O)OC(C)(C)C)ccc21	2179928953	QDKFUBMRPNTUKX-GOSISDBHSA-N	371.485	2.485	10	10	FECE	
O=C(c1ccc(O)c(O)c1)N1CC[C@@](CNC(=O)C(F)(F)F)(C2CC2)C1	2174791299	LVCYZLCRUNGPJU-INIZCTEOSA-N	372.343	2.019	10	10	FECE	
C[C@H]1C[C@H](CNC(=O)c2ccc(O)c(O)c2)CN1C(=O)OC(C)(C)C	2054419509	FAZSJOLKEWJLQR-NWDGAFQWSA-N	350.415	2.473	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2060635383	LHRMEQXSKAOTOE-OLZOCXBDSA-N	355.439	2.344	10	10	FECE	
CO[C@@H](C(=O)NCCCN=[N+]=[N-])C1CCN(C(=O)OC(C)(C)C)CC1	2067704847	HCZRJLDJKTUGDE-CYBMUJFWSA-N	355.439	2.465	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@]12CO[C@@H](C1)[C@H](NC(=O)OC(C)(C)C)C2	2315988539	JVXWNEOMHDXBSD-BFQNTYOBSA-N	353.423	2.218	10	10	FECE	
Cc1ccc(CN[C@H](C)CCS(C)(=O)=O)c(O)c1Br	2352673847	YPQDKODIRLAMNS-SNVBAGLBSA-N	350.278	2.376	10	10	FECE	
CN(Cc1ccccc1O)C(=O)CS(=O)(=O)c1ccc(Cl)cc1	119974039	YNPSELSREFYFEJ-UHFFFAOYSA-N	353.827	2.478	10	10	FECE	
CN(Cc1cc2c(cc1O)OCO2)[C@H]1CCN(c2ccccc2F)C1=O	112332300	LJDKUZOBTOPTAQ-HNNXBMFYSA-N	358.369	2.497	10	10	FECE	
COc1ccc(/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc1	20356260	GNEXATHGFHZOOH-RBOLIFNISA-N	355.423	2.368	10	10	FECE	
Cc1nc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)no1	62370874	MFEMICSVTMQASW-SFHVURJKSA-N	371.485	2.330	10	10	FECE	
COCCN1C(=O)/C(=C/c2cc(OC)ccc2OC)C(C(=O)OC)=C1C	33922330	LMUKZRJCYSFYJT-RVDMUPIBSA-N	361.394	2.023	10	10	FECE	
O=S(=O)(Cc1ccccc1)N1CCN(c2ccc3c(c2)OCCO3)CC1	41380307	WTTRKJXQHVVYDQ-UHFFFAOYSA-N	374.462	2.110	10	10	FECE	
COc1ccc(N2CCN(c3cc(C)nc(NCCN(C)C)n3)CC2)cc1	243432222	MZWHFWVVKSLMJU-UHFFFAOYSA-N	370.501	2.094	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCOC[C@@H]1C[C@@H](O)c1ccco1	272675065	QWGYGBAYFQTZHO-HMHLKJFASA-N	359.378	2.055	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC=C(c2ccnn2C)CC1	285733582	VJHISITVGHTQRJ-UHFFFAOYSA-N	367.497	2.234	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cn(Cc2ccccc2)nn1	801730103	FLWFGCFWULCSHO-CYBMUJFWSA-N	367.409	2.490	10	10	FECE	
CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)[C@@H](C)C1	807673900	BBPIYRCPZIUDSP-BXWFABGCSA-N	374.529	2.119	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3CC4(CCOCC4)C3)CC2)cc1	813621790	FYXPGWLQECTEMI-UHFFFAOYSA-N	359.470	2.486	10	10	FECE	
CCN(CC)CCS(=O)(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	810049284	NCPZJHXHDIJWPJ-QGZVFWFLSA-N	370.515	2.045	10	10	FECE	
C[C@H](N[C@H]1CCC(=O)N(C)C1=O)c1cc(Br)c(F)cc1O	818360732	BTNFXTMWUFLTCX-CPCISQLKSA-N	359.195	2.092	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)CC2)cc1F	829869197	KNAKXIGBYQKXGO-ZDUSSCGKSA-N	358.417	2.011	10	10	FECE	
CN1CCN(c2ccc(CN3C(=O)[C@@H]4[C@@H]5CCC[C@H]5CN4C3=O)cc2)CC1	925080032	PRGXXEYAMGRNRD-UHOSZYNNSA-N	368.481	2.001	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3nn(C)c4c3CCCC4)C2)cc1	855227600	YMRCQJFUPOZXNM-CQSZACIVSA-N	354.454	2.316	10	10	FECE	
COCCOc1cncc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	855223135	BRSFRULTFGFLAV-INIZCTEOSA-N	371.437	2.124	10	10	FECE	
C[C@@H](NC(=O)NCCO[C@@H]1CC1(F)F)c1ccc(N2CCOCC2)cc1	852012974	QMOJPWGDIFEJFN-CZUORRHYSA-N	369.412	2.308	10	10	FECE	
CC[C@@H]1C[C@@H](CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCO1	850356211	QDYREEHCEYJJJX-PKOBYXMFSA-N	366.527	2.216	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1C[C@@H](C)O[C@H]1C	867223644	POSXLAXEARKVEF-UHIISALHSA-N	355.818	2.361	10	10	FECE	
COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCCC3(C)C)CC2)cc1	778258931	XHSZBUMCMWZZCT-MDZDMXLPSA-N	371.481	2.301	10	10	FECE	
C[C@@H](NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cn[nH]c1	778142256	PJHSDPDUQRLFIB-GFCCVEGCSA-N	374.400	2.474	10	10	FECE	
COc1cc(N2CCN(C(=O)CCC(F)F)CC2)cc(OC)c1OC	793817161	XTODKQHYCSGYPC-UHFFFAOYSA-N	358.385	2.406	10	10	FECE	
COc1ccc([C@@H](CC(=O)NCc2ccc(OC)cc2O)NC(C)=O)cc1	794389940	STWVJQGULVIPJK-GOSISDBHSA-N	372.421	2.293	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@]1(C)C[C@H]2CC[C@H]1O2	791546528	AVQUEHVNUGLQFK-HLIPFELVSA-N	360.454	2.212	10	10	FECE	
CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCc2c(O)cccc2F)o1	1303877368	BWAGXNIFTINIIF-UHFFFAOYSA-N	370.402	2.131	10	10	FECE	
C[C@@H](NC(=O)C(=O)NCC1(C)CCC1)c1ccc(N2CCOCC2)cc1	1321902374	KDGLETDKWHAEJP-OAHLLOKOSA-N	359.470	2.007	10	10	FECE	
CC(C)N1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1	1251500480	FMYANNWCAGYJEJ-IBGZPJMESA-N	361.534	2.091	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)NCC2(CN=[N+]=[N-])CC2)OCC12CC2	2127541970	GTNQVKMHRVXKOZ-GFCCVEGCSA-N	365.434	2.362	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cc4c(cn3)OCCC4)C2)cc1	1334741187	ZMESQTRULMFFDC-OAHLLOKOSA-N	353.422	2.424	10	10	FECE	
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCc2cccc(O)c2O)cc1	1352658430	VDTMXKWUDJTOSA-MRXNPFEDSA-N	354.406	2.214	10	10	FECE	
NC(=O)C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1Cl	1445232564	BCTZVMYRDRVIIV-QPBFKRLHSA-N	360.797	2.497	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1CC(F)C1	2136262837	XYIGNGHOOUOFAW-BPCQOVAHSA-N	368.405	2.150	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)c3cc4occc4[nH]3)cc2)CC1	1652068840	YXAAQWPRJYZJGV-UHFFFAOYSA-N	366.421	2.393	10	10	FECE	
O=C(N[C@H]1CC[C@H]1NC(=O)c1cccc(O)c1O)OCc1ccccc1	1982316710	FFNMRANKCDFURF-CABCVRRESA-N	356.378	2.285	10	10	FECE	
Cn1cc(C=C2C(=O)Nc3ccc(S(N)(=O)=O)cc32)c2ccccc21	2040602111	MLKHXLFEYOOYEY-UHFFFAOYSA-N	353.403	2.318	10	10	FECE	
CN([C@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)Cc1ccc(N)cc1	2044645254	ZKKPSVRXXRQCIR-HNNXBMFYSA-N	369.487	2.040	10	10	FECE	
CC(C)N(CCNC(=O)OC(C)(C)C)C(=O)COc1ccc(N)cc1	2044623092	NFRSZPJURDLTMT-UHFFFAOYSA-N	351.447	2.409	10	10	FECE	
C[C@]1(C(=O)O)COCCN1Cc1cc(Cl)cc(Br)c1O	2201204845	DZFYBIBGJUYGAR-CYBMUJFWSA-N	364.623	2.484	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@H](CNC(=O)Nc2ccc(N)cc2)CO1	2106289878	HTDXYRHHYJUOLF-IUODEOHRSA-N	364.446	2.320	10	10	FECE	
CC(C)(C)OC(=O)NCCO[C@H]1CCN(CCOc2ccc(N)cc2)C1	2112692704	ISVQBNAQWHKHDQ-KRWDZBQOSA-N	365.474	2.263	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(c2ccc3c(c2)OC(F)(F)O3)C1	2226696723	OCISKKVYRBLDRM-CMPLNLGQSA-N	372.368	2.472	10	10	FECE	
CN(C)c1ccc(C=C(C(=O)NC[C@H]2CCCO2)n2ccccc2=O)cc1	2293381569	PECUVURELXHIHY-GOSISDBHSA-N	367.449	2.208	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)NCC1(N2CCOCC2)CCCCC1	2307981923	DPFFCQDUAXPZHQ-UHFFFAOYSA-N	360.454	2.262	10	10	FECE	
C[C@H]1CN(C[C@@H]2CCCN2C(=O)C=Cc2ccc(O)c(O)c2)C[C@@H](C)O1	2307986683	RUJDLOSTWJVUKP-UXLLHSPISA-N	360.454	2.211	10	10	FECE	
CCc1cc(CN2CC[C@@H](NS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1	116869942	MVNPIMQPGSBFHI-OAHLLOKOSA-N	354.516	2.376	10	10	FECE	
CCN(CC)CCNC(=O)C(=O)N(c1ccccc1)c1ccc(N)cc1	170379632	HVEGSTJFUCCMAK-UHFFFAOYSA-N	354.454	2.392	10	10	FECE	
C[C@H](NCC1CN(S(C)(=O)=O)C1)c1ccc(N2CCCCC2)cc1	187824061	CSMRGOFLYFHLCK-HNNXBMFYSA-N	351.516	2.219	10	10	FECE	
CN(Cc1cc([N+](=O)[O-])ccc1O)C[C@@]1(O)CCN(Cc2ccccc2)C1	188325828	WBGSTTUDUBQBQM-FQEVSTJZSA-N	371.437	2.369	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCCc2[nH]ncc21	136068311	OTBQRMXAEWPGFH-OAHLLOKOSA-N	372.444	2.246	10	10	FECE	
CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n1	191870787	KOJBWZNAQJVPDE-AWEZNQCLSA-N	374.397	2.338	10	10	FECE	
O=c1[nH]c2ccc(S(=O)(=O)Nc3nc(-c4ccco4)cs3)cc2[nH]1	193887515	LPMWIWMVNXAYTE-UHFFFAOYSA-N	362.392	2.374	10	10	FECE	
Cc1nc2cc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3)ccc2o1	91191026	YSDLXPPRCDZXIJ-UHFFFAOYSA-N	352.394	2.457	10	10	FECE	
Cc1cc(C)c(C(=O)NC2CCN(C(=O)c3cccc(O)c3O)CC2)o1	527588307	ZDSVFOQGXQFPNP-UHFFFAOYSA-N	358.394	2.342	10	10	FECE	
COc1cc(O)c(CN2CCC(c3nnc4n3CCC4)CC2)cc1OC	372392863	ZAMCSOLBSGQGBE-UHFFFAOYSA-N	358.442	2.327	10	10	FECE	
CNS(=O)(=O)c1ccc(NCc2cc(Br)ccc2O)nc1	804827309	KNGOPWSTWWCNDL-UHFFFAOYSA-N	372.244	2.070	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)N[C@@H]1CCn2ccnc2C1	805309942	JPKBLSHUFJZFBB-GFCCVEGCSA-N	365.231	2.165	10	10	FECE	
O=C1CN(Cc2ccccc2O)C(=O)N1[C@H]1COc2ccc(F)cc2C1	819170086	UOXKTNQZHSWELW-OAHLLOKOSA-N	356.353	2.299	10	10	FECE	
N[C@@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C(F)(F)F	828359591	ZDIJPWAQESXYJN-LBPRGKRZSA-N	367.318	2.263	10	10	FECE	
COc1ccc(N2CCN(Cc3cc(F)cc(C(C)=O)c3O)CC2)nc1	832685696	KXPVGFFNTVKWSO-UHFFFAOYSA-N	359.401	2.460	10	10	FECE	
O=C(NCc1ccco1)[C@H]1CCCN1C(=O)/C=C\c1ccc(O)c(O)c1	588403940	LBYMMQIPRCSLHC-DDJMYBDESA-N	356.378	2.011	10	10	FECE	
Cc1cc(C(=O)CN(CCO)C2CC2)c(C)n1-c1ccc2c(c1)OCO2	749837296	WGUWSSRUWPCRFS-UHFFFAOYSA-N	356.422	2.462	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)c1	847406561	LRQPBSQSCKMOSL-BYNSBNAKSA-N	365.474	2.259	10	10	FECE	
C[C@H](NC(=O)N1CCOC[C@H]1c1ccnn1C)c1ccc(N(C)C)cc1	845126121	WJDXLXJRITYJNQ-KSSFIOAISA-N	357.458	2.330	10	10	FECE	
COc1cc(C2([C@@H](NC(=O)OC(C)(C)C)C(=O)O)CC2)cc(O)c1O	1952723982	MPJXTQSHTJFDDA-ZDUSSCGKSA-N	353.371	2.116	10	10	FECE	
Cc1cc(O)c(CN2CCN([C@H](C)C(=O)N3CCCC3)CC2)c(Cl)c1	840919170	WNLNRWIDOPEWIG-OAHLLOKOSA-N	365.905	2.483	10	10	FECE	
C[C@H](N)[C@H](C)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	841843398	HEGFBLULDJGBJV-RWMBFGLXSA-N	356.417	2.292	10	10	FECE	
O=C1CN(Cc2ccccc2O)C(=O)N1C[C@H]1CC[C@@H](C(F)(F)F)O1	925178110	RUXJZMHYKCQAFK-YPMHNXCESA-N	358.316	2.266	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@]3(C(=O)O)C[C@H]4CC[C@H]3C4)C2)cc1	852954730	QKMYCKGIXSXORA-CJXDPKRBSA-N	358.438	2.281	10	10	FECE	
O=C1CCc2cc(S(=O)(=O)NCc3ccccc3O)cc3c2N1CCC3	758466395	AQQNAJZETLPKJP-UHFFFAOYSA-N	372.446	2.096	10	10	FECE	
COC(=O)C(C)(C)n1ccc(NC(=O)NCc2ccc(N(C)C)cc2)n1	853848735	IFPJLSMXSABRHR-UHFFFAOYSA-N	359.430	2.179	10	10	FECE	
CCN(C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCN(C)C1	854187587	NJFVZXIEXIOLTL-SJLPKXTDSA-N	360.502	2.257	10	10	FECE	
Cn1cc(CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(Cl)n1	856767125	VCKVCCMUGQYYBI-AWEZNQCLSA-N	361.877	2.065	10	10	FECE	
COC[C@@H](CCNC(=O)NCc1ccc(N2CCSCC2)cc1)OC	851990976	AVPFTEMWNNBPCE-QGZVFWFLSA-N	367.515	2.091	10	10	FECE	
COC(=O)[C@@H]1O[C@@H](C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C[C@H]1C	868890544	VHIUAXCBLBCOMN-LTCOOKNTSA-N	362.470	2.075	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN[C@@H]3CCCC[C@@H]3F)CC2)cc1	872217761	AHIZFEFRFOWQAP-YZGWKJHDSA-N	365.493	2.048	10	10	FECE	
C[C@H]1CN(c2ccc(CNC[C@H](O)CC(C)(C)O)cc2F)C[C@@H](C)O1	872201101	OCQJRBLQMCCZQE-IJEWVQPXSA-N	354.466	2.051	10	10	FECE	
O=C(CN1CC[C@@H](O)[C@@H](O)C1)Nc1ccc(N=Nc2ccccc2)cc1	879611116	PIHGHTGWOPEXPO-MSOLQXFVSA-N	354.410	2.468	10	10	FECE	
c1cc(NCc2ccc(N3CCSCC3)cc2)nc(N2CCOCC2)n1	779428266	JEVUYCNPAVIQIP-UHFFFAOYSA-N	371.510	2.479	10	10	FECE	
CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CCN1CC(F)F	774904505	SSTHNXLTNNRRPW-GFCCVEGCSA-N	359.373	2.470	10	10	FECE	
COC(=O)c1c(CNCCOC[C@H]2CCOC2)c2cc(F)ccc2n1C	894226199	ODQKMTPPLOXCAG-ZDUSSCGKSA-N	364.417	2.247	10	10	FECE	
CC(=O)N1CCN(c2cccc(NC(=O)c3cc(F)ccc3N)c2)CC1	1154400124	HLHCHQQNKCRJLJ-UHFFFAOYSA-N	356.401	2.329	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@H]2CCC(=O)N2)n1CCC1CC1	1503488868	YRMPIBLHJPWBLF-OAHLLOKOSA-N	355.442	2.371	10	10	FECE	
C[C@H]1CNc2c(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cnn2C1	1350841684	IMMSNLGGOMRRLD-HNNXBMFYSA-N	369.469	2.054	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cn1nnc2c1CCCC2	1463815066	WETFWPPYLRFWLI-UHFFFAOYSA-N	353.470	2.416	10	10	FECE	
Cc1nc2cc(NC(=O)Cc3ccc(O)c(O)c3)ccc2n1[C@H](C)CO	1468035430	SGXRVOXPVRWZPL-LLVKDONJSA-N	355.394	2.490	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](NC(=O)NCc2cccc(Cl)c2O)CO1	1471499278	SCDZLOXXCOEVHL-NSHDSACASA-N	371.821	2.396	10	10	FECE	
O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N1Cc2cccc(O)c2C1	1471355346	GMHRFGHVCSCBLM-UHFFFAOYSA-N	355.785	2.242	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2ccc(O)nn2)c1	1624718243	HKBHHNNRPMYERH-UHFFFAOYSA-N	350.378	2.332	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)NCCc1cnc2c(Cl)cnn2c1	1556821489	CRDJSFOBMHRNID-DUXPYHPUSA-N	358.785	2.166	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1	1558534195	PKUXNWOGQKSQCX-UHFFFAOYSA-N	354.322	2.122	10	10	FECE	
Cc1cc(CCNC(=O)c2ccc(C(N)=O)[nH]2)c(C)n1-c1ccccc1	1643017877	SSAVSMJVOGHOQP-UHFFFAOYSA-N	350.422	2.494	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)c2cc[n+]([O-])cc2)N2CCCCC2)cc1	1866044911	BADXKLLDAFJEOK-HXUWFJFHSA-N	368.481	2.343	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3cnoc3C(C)C)CC2)cc1	1123630689	HTYINSMOXHDYRG-UHFFFAOYSA-N	372.469	2.359	10	10	FECE	
Cc1cc(=O)c(OCC(=O)NC2CCCC2)cn1Cc1ccc(N)cc1	1857915433	WSSKHHJTNDPBIL-UHFFFAOYSA-N	355.438	2.225	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NCc1cc(F)cc(F)c1O	2031532228	JDPUBIZKPHAFIT-UONOGXRCSA-N	358.385	2.442	10	10	FECE	
O=C(c1cccc(O)c1O)N1CCC[C@@H]2CC[C@]21CNC(=O)C(F)(F)F	2174800189	NCTSPCQWWHREQB-HWPZZCPQSA-N	372.343	2.161	10	10	FECE	
C[C@H](CC(=O)NCCc1ccc(O)c(O)c1)N(C)C(=O)OC(C)(C)C	2060295680	BZHKAICXLFFGIL-GFCCVEGCSA-N	352.431	2.402	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(OCC(=O)N2CC[C@@H](N=[N+]=[N-])C2)CC1	2060609871	APJMKUSKRLSBFZ-GFCCVEGCSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC[C@H](N=[N+]=[N-])C2)COCC1(C)C	2060617631	PESFUNWTXMLGMW-RYUDHWBXSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)N2CCC[C@H](N=[N+]=[N-])C2)C1	2060632679	DVLJVYJJKJICRT-QWHCGFSZSA-N	353.423	2.314	10	10	FECE	
C[C@@]1(CNCc2cccc(Br)c2O)CCCS(=O)(=O)C1	2194277321	WUESDYDRVZDEIE-AWEZNQCLSA-N	362.289	2.459	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)C12CC(CNC(=O)OC(C)(C)C)(CO1)C2	2086119445	YBGDDZBNEGFMED-UHFFFAOYSA-N	353.423	2.219	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CN(CCC(=O)Nc3ccc(N)cc3)C2)C1	2106683295	BIFRAXNGEAZPSN-UHFFFAOYSA-N	360.458	2.150	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H]1C[C@]1(C(=O)C(=O)C[C@H]1C[C@H](N)C1)C2	2112561480	GXYSXEQOJCGTKH-QIUJKKQNSA-N	362.470	2.430	10	10	FECE	
CN(C[C@]1(Br)CC1(F)F)C(=O)c1cc(O)c(O)c(O)c1	2202538886	WXMTWJADEIZKPE-LLVKDONJSA-N	352.131	2.048	10	10	FECE	
O=C1NC(=S)N(CCc2ccccc2)C(=O)C1=CNCc1ccccc1	2296940564	GINIGATWAXRCEJ-UHFFFAOYSA-N	365.458	2.146	10	10	FECE	
CN(C)c1ccc(NC=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1	2297315462	MQGVQWCZEWNZNN-UHFFFAOYSA-N	364.405	2.327	10	10	FECE	
C[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(O)c(O)cc2C1	2341191495	CXXBCLXNNMQLMI-BMIGLBTASA-N	368.405	2.234	10	10	FECE	
Nc1ccc(OCCC(=O)N[C@H](CCO)COCc2ccccc2)cc1	2343434357	BJXDSCVGZXDIDE-GOSISDBHSA-N	358.438	2.122	10	10	FECE	
Cc1ccc(CN(C)S(=O)(=O)NC(C)C)c(O)c1Br	2352931895	FIDPDNNEBBUXAC-UHFFFAOYSA-N	351.266	2.138	10	10	FECE	
COc1ccc(N/C=C2\C(=O)N(c3ccc4nnc(C)n4n3)N=C2C)cc1	103052364	SMQJYMFTCDPONP-GDNBJRDFSA-N	363.381	2.160	10	10	FECE	
CCc1noc([C@H](C)N2CCN(Cc3cc([N+](=O)[O-])ccc3O)CC2)n1	106137553	KPDJEUDOJFSMCJ-LBPRGKRZSA-N	361.402	2.125	10	10	FECE	
CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C/c1ccccc1[N+](=O)[O-]	100208332	HKDYWOKFSOWPFC-SDNWHVSQSA-N	360.366	2.304	10	10	FECE	
COc1cccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1O	68488846	DTPKIRGRUQXOIG-OAHLLOKOSA-N	354.406	2.379	10	10	FECE	
C[C@@H](CCS(C)(=O)=O)N[C@H](C)c1ccc(N2CCC(O)CC2)cc1	127131905	VLFDMDJSNOCOIK-LSDHHAIUSA-N	354.516	2.122	10	10	FECE	
CCn1cc([C@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCO2)cn1	191707370	JJYWFLRIFOUCRF-HXUWFJFHSA-N	356.470	2.313	10	10	FECE	
CNC(=O)CCN(C)C(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	444119273	ACNPYUFAZUSNDT-UHFFFAOYSA-N	370.497	2.002	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC=CCN2C(=O)COc2ccc(N)cc2)C1	2162975298	HOXHQDZHULDCGO-UHFFFAOYSA-N	373.453	2.426	10	10	FECE	
O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(C(=O)NCc5cccc(Br)c5O)[C@H]1[C@@H]3[C@@H]42	800555155	PPNOFSLCGXRXOZ-SLXWLZOQSA-N	374.234	2.098	10	10	FECE	
C[C@@H](NC(=O)C(=O)NC1CC(N2CCCCC2)C1)c1ccc(N(C)C)cc1	807555101	TUNFQYQUFXPYFB-LSJNQWAISA-N	372.513	2.063	10	10	FECE	
C[C@H](N)[C@H]1COCC[C@@H]1NCc1ccc(N2CCN(CC3CC3)CC2)cc1	817918518	ZWSWOTMOPDKALP-WTOYTKOKSA-N	372.557	2.061	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)COc3ccc(O)cc3)C2)cc1	819582820	QRDXTDHKIDWWLU-HNNXBMFYSA-N	356.422	2.422	10	10	FECE	
Cc1c(CN(C)C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cnn1C	823530208	CQWGYOMBQSOUHC-UHFFFAOYSA-N	371.485	2.031	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)C(C)(C)SC)CC2)cc1	824279784	BCCWTMDKLYSFBS-UHFFFAOYSA-N	351.516	2.075	10	10	FECE	
C[C@H](NC(=O)[C@@]1(C)C[C@@H](O)CN1C(=O)OC(C)(C)C)c1ccccc1O	913763985	XMPSWJSIGWDTLA-XEKQOVJPSA-N	364.442	2.330	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)NC[C@H](C)C(C)C)CC2)cc1	740040142	XOZKONQWNRTOJX-KRWDZBQOSA-N	362.518	2.409	10	10	FECE	
C[C@H](N)c1ccc(CNC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1	842203919	YPKQOHRTJUMVRR-GJZGRUSLSA-N	368.481	2.266	10	10	FECE	
CCN1CCN(c2ccc(CN[C@H](C)[C@@H]3C[C@@H]3C(=O)OC)cc2F)CC1	850127478	WTOYEJXTKBOIOM-PVAVHDDUSA-N	363.477	2.255	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCc4cnc(C)n4C3)C2)cc1	855227446	YXMQERHEHRWPTG-HZPDHXFCSA-N	354.454	2.158	10	10	FECE	
CN(C)c1ccc(CN2CCN(c3ccc(F)cc3C(N)=O)CC2)cc1	856808393	ZMLHVKFKQKZJNC-UHFFFAOYSA-N	356.445	2.313	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cccnc3-n3cccn3)C2)cc1	855233030	VUTHJAJOYAWDNX-OAHLLOKOSA-N	363.421	2.285	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3CCC[C@](O)(C4CC4)C3)C2)cc1	854187633	OLNZNSWMYPTHOD-HRAATJIYSA-N	373.497	2.468	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Cc3ccc4c(c3)OCO4)C2)cc1	855231942	ZBOQHXWCGDGENL-OAHLLOKOSA-N	354.406	2.362	10	10	FECE	
CCOc1ccc(-n2c(C)cc(C(=O)CN3C[C@@H](O)C[C@@H](O)C3)c2C)cc1	752311393	WFYMWLUSAVGCLN-HDICACEKSA-N	372.465	2.103	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCN(CC(F)(F)F)C1	862025903	BYIFSWOBCSJVRC-CYBMUJFWSA-N	353.344	2.441	10	10	FECE	
CC1(C)[C@@H](NC(=O)C(=O)NCCc2ccc(N)cc2)[C@@H]1c1ccccc1	861776248	IJWDEWFPTZWUKF-ROUUACIJSA-N	351.450	2.236	10	10	FECE	
CCCCn1c(N)c(N(CC)C(=O)/C=C\c2ccc(C)nc2)c(O)nc1=O	779472521	WSMZHIQOULUPJR-KTKRTIGZSA-N	371.441	2.101	10	10	FECE	
CC(C)(C)OC(=O)N1CC([C@@H]2CCN(C(=O)c3ccc(O)c(O)c3)C2)C1	2118173670	NTBOXXVYGOWBAX-CYBMUJFWSA-N	362.426	2.427	10	10	FECE	
C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)NCC(F)(F)F	1338309321	KZKCIYIVVZWIFA-ZCFIWIBFSA-N	362.329	2.109	10	10	FECE	
COC(=O)[C@@H](COC1CCC1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1	1446103684	MHRSEVFKONFQNO-CQSZACIVSA-N	362.386	2.032	10	10	FECE	
C[C@@H]1Nc2ccnn2[C@@H](C)[C@@H]1CCC(=O)NCCc1ccc(O)c(O)c1	1528038024	SXZNMKGKQUXVHD-KCQAQPDRSA-N	358.442	2.425	10	10	FECE	
CCOC(=O)[C@H](Cc1ccncc1)NC(=O)c1ccc(N=NC(N)=O)cc1	1465669208	WEJIMIRIDBQKLU-HNNXBMFYSA-N	369.381	2.148	10	10	FECE	
C[C@H]1C[C@H]1n1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1O	1612703697	INQASEVKVOLZAX-DZGCQCFKSA-N	355.442	2.437	10	10	FECE	
CCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1Cc1ccc2c(c1)CCCN2C	1709166419	FIVZZDPZLIGLEZ-BEFAXECRSA-N	369.513	2.478	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccnc(NC)c1[N+](=O)[O-]	1623574374	NFAGBPUHRKEIBH-UHFFFAOYSA-N	351.359	2.153	10	10	FECE	
CCCCOc1ccc(C(=O)NCC(=O)NCc2cc(O)ccc2O)cc1	1643879365	MVKUONAOMBTNFW-UHFFFAOYSA-N	372.421	2.323	10	10	FECE	
O=C1CC[C@]2(C(=O)NCc3c(O)cccc3O)Sc3ccccc3N12	1652623027	NGBMHOSKCCZMEI-GOSISDBHSA-N	356.403	2.343	10	10	FECE	
CC(C)NC(=O)c1nnc(N2CCCC2)n1Cc1ccc(N(C)C)c(F)c1	1761227563	QSCFEKUPRPWWHU-UHFFFAOYSA-N	374.464	2.270	10	10	FECE	
CN[C@@H]1C(=O)Nc2cc(N3CCC(C)(O)CC3)c(Br)cc21	160494789	PMFRISGRQZLGFQ-ZDUSSCGKSA-N	354.248	2.013	10	10	FECE	
Nc1ccc(CS(=O)(=O)NCc2ccncc2Br)cc1	686556006	YWQQSXFBCRPFKZ-UHFFFAOYSA-N	356.245	2.046	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C1(NC(=O)OC(C)(C)C)CCOCC1	827081847	WKMBHONIXNCFIZ-UHFFFAOYSA-N	364.442	2.425	10	10	FECE	
Nc1cc2c(cc1N1C[C@@H]3CCN(Cc4ccccc4)[C@H]3C1)NC(=O)CO2	2188877941	KQCBKOPGNRJTTG-KXBFYZLASA-N	364.449	2.310	10	10	FECE	
CCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)COc1ccc(N)cc1	2044209608	GRJKEWFXFRDDDB-AWEZNQCLSA-N	351.447	2.457	10	10	FECE	
C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)Cc1ccc(N)cc1	2044598465	SDOPAAKPDLXFRC-WFASDCNBSA-N	369.487	2.086	10	10	FECE	
C[C@H](CN(C)C(=O)OC(C)(C)C)N(C)C(=O)COc1ccc(N)cc1	2049141814	YVNQGFNMCPOKST-CYBMUJFWSA-N	351.447	2.361	10	10	FECE	
C[C@](NC(=O)C(F)(F)F)(C(=O)N1CCC[C@H]1CN=[N+]=[N-])C(F)(F)F	2060639618	KADAXAADYQKABA-RCOVLWMOSA-N	361.246	2.287	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)N(C)c1ccc(N)cc1	2106657734	GVIGJPURBCHADI-AWEZNQCLSA-N	362.474	2.173	10	10	FECE	
Nc1ccc(CCC(=O)N[C@H](COCc2ccccc2)CC(=O)O)cc1	2096667780	PHMGIJZYBRSQJL-SFHVURJKSA-N	356.422	2.378	10	10	FECE	
O=S1(=O)C[C@@H]2CCC[C@@]2(NCc2ccc(Br)cc2O)C1	2201885721	UYDQRYZRTJBQRF-SMDDNHRTSA-N	360.273	2.212	10	10	FECE	
COc1ccc(N2C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)c(OC)c1C	2278061810	KTOLLWDXWAPWMH-KGLIPLIRSA-N	366.458	2.477	10	10	FECE	
Cc1cncc(C=CC(=O)N(C)c2ccc(S(=O)(=O)N(C)C)cc2)c1	2312233106	KFABWTAHQOBDHA-UHFFFAOYSA-N	359.451	2.317	10	10	FECE	
C[C@@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)c1c(O)cccc1O	2310455573	BEMYQBGMKQLZBS-JHJVBQTASA-N	352.431	2.119	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@H]1N(C(=O)COc1ccc(N)cc1)C2	2331525163	VAYZWNGWBPHEIX-VMGRFDJRSA-N	361.442	2.162	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@]2(C(=O)N3CC[C@H](CN=[N+]=[N-])C3)CO[C@H]1C2	2334183642	LIBDRZBDSNDHMJ-ZOPJHEKZSA-N	365.434	2.218	10	10	FECE	
COC[C@@]1(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C=CCN1C(=O)OC(C)(C)C	2336345697	QYHANSQEWRVKPX-CXAGYDPISA-N	365.434	2.480	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)c1	181696711	DVYRVPHOEHJHCK-CHWSQXEVSA-N	373.457	2.491	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ncncc3Cl)CC2)cc1F	84814693	KYIJSDDIDDUQSI-UHFFFAOYSA-N	350.781	2.240	10	10	FECE	
COc1cc(/C=C2\C(=O)NN(c3cccc(C)c3)C2=O)cc([N+](=O)[O-])c1O	96499545	OVGKGOCKQDNRIG-NTUHNPAUSA-N	369.333	2.079	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC[C@H](O)C(F)(F)F)cc2F)C[C@@H](C)O1	818967640	XPPOXUVPWKPYOU-HFAKWTLXSA-N	350.356	2.452	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21	828238639	IYRCWHBXQFACCI-RWMBFGLXSA-N	353.513	2.294	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1	835054583	WJRWZWBJONRRCK-OPECEQKHSA-N	356.470	2.218	10	10	FECE	
CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCc1c(O)ccc2c1CCCC2	830597572	OVUGUOCNIRIZQW-YRISNDGFSA-N	358.482	2.420	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc(C)c(C(=O)O)o3)CC2)c(OC)c1	911165763	OKLYBJFYYBWYPH-UHFFFAOYSA-N	374.393	2.266	10	10	FECE	
COc1cccn2c(=O)n(CN(Cc3ccc(N(C)C)cc3)C(C)C)nc12	841674511	JJYPSHBTKQVROJ-UHFFFAOYSA-N	369.469	2.439	10	10	FECE	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccnn2C2CCC2)c1	914154234	XTUHIUYLYICTNE-NSHDSACASA-N	351.428	2.362	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)c3ccc(C(C)=O)cc3)C2)cc1	849416083	KIZBUXOFMZTREF-MRXNPFEDSA-N	374.462	2.455	10	10	FECE	
CCn1nc(C)c([C@H](C)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)n1	926874247	RPJAUWPHIKHCDE-AWEZNQCLSA-N	370.501	2.159	10	10	FECE	
COCc1n[nH]c(CN[C@@H](C)c2cc(Br)cc(OC)c2O)n1	850515629	GLGWCDGTDMQWTC-QMMMGPOBSA-N	371.235	2.279	10	10	FECE	
COCc1nc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)n(C)n1	853801658	GGXCEGLAUGXRAT-UHFFFAOYSA-N	357.458	2.128	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3ccc(OC)nc3)C2)cc1	851926790	BBPZMHBDGCAHJN-OAHLLOKOSA-N	356.426	2.177	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N[C@H]3CCNC34CCC4)C2)cc1	861648195	RTXAXGMMYZXSMW-YJBOKZPZSA-N	358.486	2.105	10	10	FECE	
CS[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	868117792	ZATPGZVSWMWASF-HDJSIYSDSA-N	353.463	2.356	10	10	FECE	
O=C(C(=O)N1CC[C@@H](COc2ccccc2)C1)N1Cc2cccc(O)c2C1	1119014433	MGHZTDBMXRGIML-OAHLLOKOSA-N	366.417	2.162	10	10	FECE	
CC1CC(n2nnc3c2CN(C(=O)/C=C\c2ccc(O)c(O)c2)CC3)C1	870737554	RIPNGEFIJNVTTC-HYXAFXHYSA-N	354.410	2.258	10	10	FECE	
COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(N(C)C)cc1	788491098	DXNJYVRYBFEDEW-UHFFFAOYSA-N	350.396	2.046	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)c3cn(C(C)C)nn3)cc2F)CC1	794293880	CSSJZOOUQBIGIR-UHFFFAOYSA-N	374.464	2.070	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCN(c2ccccc2Cl)C1=O	1146854676	QVJRWNCZZKKWJE-ZDUSSCGKSA-N	360.797	2.215	10	10	FECE	
CC[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)N1CCO[C@H](CC)C1	1150543573	PUPVEHFLSJZZGM-VBQJREDUSA-N	350.459	2.467	10	10	FECE	
Cc1cc(C)cc(N2CC[C@H](C(=O)NCc3cc(O)ccc3O)C2=O)c1	1303223126	BDZNRFREHAYZJY-QGZVFWFLSA-N	354.406	2.384	10	10	FECE	
C[C@H](CNC(=O)C(=O)NCCCSc1nccs1)CC(F)F	1328288927	YMFRHTDJNCSIIR-VIFPVBQESA-N	351.444	2.149	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCc2ccccc2O)OC(C)(C)C1	2124325104	RXUWPMRZUWDZTR-HNNXBMFYSA-N	364.442	2.423	10	10	FECE	
Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2124514730	ZBIZDNTUDYVPRG-LBPRGKRZSA-N	363.422	2.360	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCC[C@@H]1CN=[N+]=[N-])[C@H]1CCOC1	2124504580	AJGXIIPUUCZBDD-MJBXVCDLSA-N	367.450	2.465	10	10	FECE	
COC(=O)[C@]1(CNC(=O)Cc2cc(C)n(-c3ccccc3)c2C)CCOC1	1463477870	DFFBZUPYCAZPDA-NRFANRHFSA-N	370.449	2.333	10	10	FECE	
C[C@@H]1C[C@H]1N(C)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136241518	ZXRCZAKQFNHFEU-KWCYVHTRSA-N	364.442	2.400	10	10	FECE	
Cc1oc(C=O)cc1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	1543377224	CVIDRLJLFALHPV-HNNXBMFYSA-N	369.421	2.032	10	10	FECE	
O=C(CCCOc1ccc2c(c1)NC(=O)CC2)NCc1ccc(O)cc1O	1626838269	UVNNADPCQSDMFA-UHFFFAOYSA-N	370.405	2.458	10	10	FECE	
CC[C@@](C)(O)Cn1c(C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1	1494774299	VEZFZKTZTVSRSW-HXUWFJFHSA-N	373.501	2.221	10	10	FECE	
CCOCc1nnc(N2CCCOCC2)n1Cc1ccc(N(C)C)cc1C	1729059269	JSNSNAOTUQPXPT-UHFFFAOYSA-N	373.501	2.464	10	10	FECE	
COCCOC1CN(C(=O)Cn2c3c(c4cc(OC)ccc42)CCCC3)C1	1634955516	LHUCUSNUBZAPEJ-UHFFFAOYSA-N	372.465	2.403	10	10	FECE	
COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)/C=C\c1ccc(O)c(O)c1	1645509060	VYUVEURQIMQJGN-ZHMISCPASA-N	359.353	2.151	10	10	FECE	
CCO[C@@H]1[C@H](C)[C@H]1C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	1585403408	HQGKCOMKNFIMDZ-NIKGAXFTSA-N	363.477	2.255	10	10	FECE	
O=C1CO[C@H](COC(=O)CCn2c3c(c4ccccc42)CCCC3)CCN1	1849451076	BKSSVMVJCHHISZ-HNNXBMFYSA-N	370.449	2.359	10	10	FECE	
C[C@H](NC(=O)c1cccc(O)c1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	1965131133	KATKTXYMGVYVKO-NWDGAFQWSA-N	350.415	2.473	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1cccs1)C(=O)C(=O)C[C@H]1C[C@H](N)C1	2052245102	BGHAYDYWLDVOJC-OBJOEFQTSA-N	366.483	2.450	10	10	FECE	
C[C@@]1(CNCc2ccc(Br)cc2O)CCCS(=O)(=O)C1	2194276102	HFGMBWVXGIDWRS-AWEZNQCLSA-N	362.289	2.459	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C(=O)N2CCC(N=[N+]=[N-])CC2)C1	2073948047	YCPLQHBMZBOQCK-OLZOCXBDSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCCc3ccc(N)cc32)=C[C@H]1O	2201006117	NXTQDAKGGDTMGU-NVXWUHKLSA-N	373.453	2.132	10	10	FECE	
CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(c2ccc(N)cc2)C1	2106832443	AFWIFJORILGXFU-CQSZACIVSA-N	362.474	2.126	10	10	FECE	
CSc1ncc(CNCC2(O)CC(NC(=O)OC(C)(C)C)C2)s1	2243773768	RURNVMCTSATACB-UHFFFAOYSA-N	359.517	2.373	10	10	FECE	
CN[C@H](c1ccc(N(C)C)cc1)[C@](O)(CF)CNC(=O)OC(C)(C)C	2254002638	JYKQERXHAMQVPR-QAPCUYQASA-N	355.454	2.238	10	10	FECE	
COCCNC(=O)C(=Cc1ccc(N(C)C)cc1)NC(=O)c1ccccc1	2297476506	BCRIBTAEVVMBPZ-UHFFFAOYSA-N	367.449	2.286	10	10	FECE	
O=C1C[C@@H](c2ccccc2)N(C(=O)C=Cc2ccc(O)c(O)c2)CCN1	2307986687	RWPYJGYUEMSFHL-INIZCTEOSA-N	352.390	2.201	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@]2(NCc3ccc(O)c(O)c3O)CC[C@H]1C2	2320524818	DXFIMGTWPYTKOK-KPZWWZAWSA-N	350.415	2.435	10	10	FECE	
CC(C)[C@H]1Oc2ccc(N)nc2N(CCCOc2ccc(N)cc2)C1=O	75259320	ODVWNJCCAIEMMD-QGZVFWFLSA-N	356.426	2.465	10	10	FECE	
Cc1cc(C(=O)N(C)[C@H]2CCN3CCO[C@H]2C3)c(C)n1-c1ccccn1	295267392	DTOOTUCSHARGSL-ROUUACIJSA-N	354.454	2.034	10	10	FECE	
O[C@H](CNCc1ccc(N2CC=CC2)cc1)COc1ccc2c(c1)OCO2	819096222	ZXGZSUDKKSHSPP-GOSISDBHSA-N	368.433	2.321	10	10	FECE	
CCn1c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cnc1Br	907272714	IFEWWPOWWZIIAR-SECBINFHSA-N	368.231	2.438	10	10	FECE	
COc1ccc(N2CCC(NC(=O)c3cn(CC4CC4)nn3)CC2)cc1	825601056	YIMVUPWDFMJCQX-UHFFFAOYSA-N	355.442	2.096	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)c3n[nH]c(C)c3C)cc2F)CC1	734434523	GNYUXOGJRHQANE-UHFFFAOYSA-N	359.449	2.238	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3C4CCC3(C(=O)O)CC4)C2)cc1	909133558	GOLFWVAYQUBHGJ-GPWPYBQESA-N	373.453	2.313	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCCN2CCSC[C@H]12	919909538	RTOXZHAOLOXXQR-RTBURBONSA-N	372.538	2.442	10	10	FECE	
CCc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2	844665285	DORJVXYZFOBUQU-UHFFFAOYSA-N	367.448	2.184	10	10	FECE	
CO[C@@](C)([C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)[C@@H](C)N	1952551503	WKQVAEIGVVKCSW-DJCROIMJSA-N	354.447	2.286	10	10	FECE	
Nc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2CC2CCCCC2)cc1	841032720	FOCSDWMCCPPRNG-GOSISDBHSA-N	358.486	2.368	10	10	FECE	
Cc1cc(Br)cc(C)c1NC(=O)NCCCc1nnnn1C	929741129	PEMYTBTWSXZKNO-UHFFFAOYSA-N	367.251	2.344	10	10	FECE	
CNC(=O)N1CCN(CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1	753423960	MVTOFBDOMDFZBL-UHFFFAOYSA-N	372.444	2.373	10	10	FECE	
COc1cc(CN2CCN(c3ccc(F)cc3C(N)=O)CC2)c(O)cc1C	857238289	KTEOXJBTOYPXDZ-UHFFFAOYSA-N	373.428	2.269	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N2CCCc3ccc(OC)cc32)c1	856076840	JGMRBXVBZPCWJT-VMPITWQZSA-N	351.406	2.442	10	10	FECE	
CS(=O)(=O)[C@@H]1CN(Cc2c(O)ccc3ccncc23)C[C@H]1C(F)(F)F	853530409	JZFVRHCHOHOKHQ-UKRRQHHQSA-N	374.384	2.348	10	10	FECE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	864954597	SUVOOOXPPXIBQE-CRWDZZMISA-N	355.482	2.297	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CNC[C@@H]3CC[C@@H]4C[C@H]4C3)CC2)cc1	863562813	LSCCKVBRDUTERF-ANTGDGSKSA-N	373.541	2.204	10	10	FECE	
COC[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1	862127098	FVUURUZDEMNOHN-VQTJNVASSA-N	370.449	2.057	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCn3cc(C)nc3C2)cc1	862129867	VPXZHWZRWXTLOJ-MRXNPFEDSA-N	356.470	2.357	10	10	FECE	
C[C@](CO)(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(O)c1	862432547	HWQOEFPVDJRHMA-HXUWFJFHSA-N	360.429	2.365	10	10	FECE	
O=S(=O)(C[C@H]1CCC1(F)F)NCc1ccc(N2CCC(O)CC2)cc1	867531895	MSKJRRBWUNVUPJ-CQSZACIVSA-N	374.453	2.112	10	10	FECE	
COc1ccc(N2CC[C@H](Nc3c4c(nc5ncnn35)CCC4)C2)cc1	865932361	STFSKMSFZPSMPT-ZDUSSCGKSA-N	350.426	2.312	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc3nc(C)cn3c2)c1	774213515	NVALMWHQKBMKTO-LBPRGKRZSA-N	368.393	2.173	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCC3(CCC3)O2)cc1	1119530632	ITDLJSSESDVNJH-SFHVURJKSA-N	373.497	2.367	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCc3ccnc(N(C)C)c3C2)cc1	1123574402	GOTGHMRQMYOARQ-UHFFFAOYSA-N	353.470	2.482	10	10	FECE	
COc1cc(C)cc(CN2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1O	895375092	WQZHLXQBDMOVDS-DLBZAZTESA-N	355.438	2.060	10	10	FECE	
COC(=O)c1cccc2c1CN(C(=O)/C=C\c1ccc(O)c(O)c1)CC2	1143080990	ZKYHWIKMRSMTCI-VURMDHGXSA-N	353.374	2.483	10	10	FECE	
Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCc1cc(O)ccc1O	1153879827	YJHRGABWYUKZKE-UHFFFAOYSA-N	365.389	2.399	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)Nc2ccc(O[C@@H]3CC(=O)N3)cc2)cc1	1157794917	SEINNVWJZXUCIR-OAHLLOKOSA-N	353.338	2.326	10	10	FECE	
O=C(C(=O)N1CC(Cc2ccc(F)c(F)c2)C1)N1Cc2cccc(O)c2C1	1329860181	WWNDSCKUICIJOC-UHFFFAOYSA-N	372.371	2.214	10	10	FECE	
CN(C)c1ccc(CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C2CC2)cc1	1352743723	CRUADSWKZICTLM-MSOLQXFVSA-N	359.470	2.057	10	10	FECE	
CN(Cc1nccn1Cc1ccccc1)C[C@H](O)COc1ccc(N)cc1	1915037211	JMERDMNILIPHLY-IBGZPJMESA-N	366.465	2.385	10	10	FECE	
CN1C(=O)[C@H](N)c2ccc(N(Cc3ccccc3)[C@H](CO)C3CC3)cc21	1915201523	FKIYKPJIDRZJSG-WOJBJXKFSA-N	351.450	2.440	10	10	FECE	
Cn1ccnc1CNc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1	1465953566	GZSFVTWZLZYFRZ-UHFFFAOYSA-N	352.394	2.373	10	10	FECE	
CC(=O)N[C@H](CC(=O)NCc1ccc(O)cc1O)c1ccc(F)cc1F	1643103638	DELMBMWHASFDMN-MRXNPFEDSA-N	364.348	2.260	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C(=O)N2CCCC2)n1[C@@H]1C[C@H]1CF	1747751720	IRXXZBQMDAKFCC-LSDHHAIUSA-N	373.432	2.387	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(CC2CC2)n1CC[C@H]1COCCO1	1768684368	SRCHUGIKFSPFIJ-KRWDZBQOSA-N	372.469	2.378	10	10	FECE	
CCN(CC)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)OC)cc1	1764931278	QJUGZGFGQWNFCW-UHFFFAOYSA-N	374.489	2.308	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)NCCN2CCCCC2)N(C)C)cc1	1687807016	MIDPDPMKFSYHKW-IBGZPJMESA-N	361.534	2.140	10	10	FECE	
COc1ccc(N2CCN(C(=O)CNC(=O)c3cccc(C)c3)CC2)cc1	5094402	IIZHRMBVYCIJTB-UHFFFAOYSA-N	367.449	2.082	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1	156625153	BLEWPRVDAYZIBQ-CVEARBPZSA-N	360.454	2.185	10	10	FECE	
O=C1c2ccccc2C(=O)c2cc(-n3ccnc3N3CCNCC3)ccc21	1857924112	KXJOBAXVXRFPLH-UHFFFAOYSA-N	358.401	2.057	10	10	FECE	
Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1Cc1cc(F)cc(F)c1O	894019515	HRBKQYLDBHZYBE-QGZVFWFLSA-N	372.375	2.300	10	10	FECE	
COC(=O)[C@]1(NCCN=[N+]=[N-])CN(Cc2ccccc2)[C@@]2(CCCOC2)C1	2156287520	HFCPEABRTPBFCA-RBUKOAKNSA-N	373.457	2.253	10	10	FECE	
COc1ccc(O)c(CNC[C@@H]2CN(C)CCN2Cc2ccccc2)c1	694766392	LGQMLCXWVLIZDH-LJQANCHMSA-N	355.482	2.307	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cccc(O)c1O	762574361	XXOOYYIRCZBVAD-WCQYABFASA-N	350.415	2.473	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@@H]1CN=[N+]=[N-])[C@@H]1CCCO1	2060637764	OOFQLZLDJOKAPX-AGIUHOORSA-N	353.423	2.360	10	10	FECE	
COc1ccc(N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)c(OC)c1	2219648330	YRYYZUPXHKGQLR-CHWSQXEVSA-N	352.431	2.168	10	10	FECE	
CC(C)(C)OC(=O)N1CCOCC[C@@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2257620560	YCHMJYWPPFLXJA-CHWSQXEVSA-N	353.423	2.171	10	10	FECE	
CSc1ncc(CN=c2nc(C(=O)O)c(Br)c[nH]2)s1	2269121949	SWRRHOSUJSYUTK-UHFFFAOYSA-N	361.246	2.150	10	10	FECE	
CP(C)(=O)C1CN(c2cc3c(cc2Br)[C@@H](N)C(=O)N3)C1	2286180733	FNMJSTHRHFCBJD-GFCCVEGCSA-N	358.176	2.212	10	10	FECE	
Cc1ccccc1N1C(=O)NC(=O)C(=CNCc2ccccc2F)C1=O	2297317970	SSVVQMFLWHUJCB-UHFFFAOYSA-N	353.353	2.391	10	10	FECE	
COc1cc(C=C2SC(=S)N(C(C)C)C2=O)ccc1OCC(N)=O	2297478035	IEMPPFBGOCBUQK-UHFFFAOYSA-N	366.464	2.169	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21	2330053614	JEZAPJPACZJXFK-VBNZEHGJSA-N	360.458	2.289	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)[C@](C)(NCc1ccc2c(c1)CCO2)C(=O)O	2351448306	DHLKSFUFTCPJLD-BLVKFPJESA-N	364.442	2.468	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1	171903030	RGVNMEGRUIFVAS-LJQANCHMSA-N	371.485	2.340	10	10	FECE	
Nc1ccc(CS(=O)(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1	301385169	IFVRQLQNFOBUDC-IBGZPJMESA-N	359.495	2.353	10	10	FECE	
COc1cc(/C=C2/SC(=S)N([C@@H](C)C(=O)O)C2=O)cc(OC)c1O	33686149	LIWMOTODMOVWHO-KEXZDQNZSA-N	369.420	2.084	10	10	FECE	
CNC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)cc1	183181268	CLYYVXBVHFGSDY-UHFFFAOYSA-N	374.447	2.366	10	10	FECE	
COc1ccc(N2CCN(CCCNC3C[C@@H]4CC[C@H](C3)N4C)CC2)cc1	192619230	APZFDBOPCYKYPZ-VCSGRIEYSA-N	372.557	2.422	10	10	FECE	
CCN(CC)c1ncnc(N2CCN(c3ccc(OC)cc3)CC2)c1N	40723158	ZDVFBALIEDQMJE-UHFFFAOYSA-N	356.474	2.240	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H](C)CN3CCCCC3)CC2)cc1	193573365	ZGEHEFXLKFPJLH-KRWDZBQOSA-N	360.502	2.401	10	10	FECE	
O=C1C[C@@H]([C@@H]2CCCCN2Cc2cc(Cl)cc([N+](=O)[O-])c2O)CN1	92104995	GGZSNRZLMUMQLS-MFKMUULPSA-N	353.806	2.444	10	10	FECE	
CCCCN(C)C(=O)[C@H]1C[C@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1	244277897	WSIIHUIBPBQNQG-RBUKOAKNSA-N	373.497	2.238	10	10	FECE	
COc1ccc(N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C2CC2)cc1	245436368	DGXWMOWBTRFKCI-GUYCJALGSA-N	360.414	2.466	10	10	FECE	
CCS(=O)(=O)[C@H]1CCN(Cc2ccc(C)c(Br)c2O)C1	2380709389	WPVBLMVKOSHWSN-LBPRGKRZSA-N	362.289	2.472	10	10	FECE	
CN(C)C(=O)c1ccc(CNCc2cc(Br)ccc2O)[nH]1	809713658	WPLRIVOFJYXUOD-UHFFFAOYSA-N	352.232	2.474	10	10	FECE	
CCn1ncc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1	293060010	AQWLKNOQFMBAOU-LBPRGKRZSA-N	365.384	2.298	10	10	FECE	
COc1ccc(CN=c2nc([C@@H](C)NC(=O)OC(C)(C)C)[nH][nH]2)c(O)c1	2130119547	RXVRHQNMQSZHKA-SNVBAGLBSA-N	363.418	2.139	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)C[C@@]3(O)CCCN(C)C3)cc2)CC1	900625550	FFZIKHPFUHIPHO-NRFANRHFSA-N	359.514	2.386	10	10	FECE	
CN(C)C(=O)C1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CC1	825701877	HTDTUDSYBNDHPS-UHFFFAOYSA-N	372.494	2.257	10	10	FECE	
O=[N+]([O-])c1cc(Cl)cc(CN2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1O	824653669	FCWDROYRWWKGGJ-ZLKJLUDKSA-N	356.806	2.316	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@@H](C)[C@H]3CCCO3)cc2F)CC1	906601821	KESFPMRCLRDJDZ-HNAYVOBHSA-N	363.477	2.399	10	10	FECE	
COc1cccc(CNC(=O)CC2(NC(=O)OC(C)(C)C)CC2)c1O	830540845	OKXBBMYZWLIZBW-UHFFFAOYSA-N	350.415	2.464	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H](CC)CC(F)F)nc12	838402357	GULLWYDKKOKDAJ-VIFPVBQESA-N	371.340	2.336	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)cc2)CC1	832794105	JGWFNXAPLJFLFM-RLLQIKCJSA-N	355.482	2.408	10	10	FECE	
C[C@H]1COCC[C@@H]1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	837708645	AYDLROTUPOETCI-JSGCOSHPSA-N	354.397	2.090	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc([C@H](C)N)cc1	842266994	DSGKAXNPKLJZFY-HNNXBMFYSA-N	369.465	2.467	10	10	FECE	
COc1cc(O)c(CN2CCCC[C@@H]2[C@H]2C[C@H](N)CCO2)cc1OC	844911565	PAWCCOQVKJTRJY-BFYDXBDKSA-N	350.459	2.270	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3CCC[C@@]4(CCNC4)C3)CC2)cc1	841778547	CVPFXTBCILRNSU-NRFANRHFSA-N	372.513	2.449	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)N3CCC34CCCC4)C2)cc1	846740358	DWFFZGCEDOPWDF-INIZCTEOSA-N	371.481	2.183	10	10	FECE	
O=C(C[C@@H](O)Cc1ccccc1)NCc1ccc(N2CCC(O)CC2)cc1	856214912	GNACYNPRXBLJLF-NRFANRHFSA-N	368.477	2.258	10	10	FECE	
C[C@]1(Br)C[C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	858625993	JJGXWOYVWJUVQN-LRDDRELGSA-N	371.250	2.452	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@]4(CCCOC4)C3)C2)cc1	852450100	YTJYOYCXIUHOIU-JXFKEZNVSA-N	359.470	2.486	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cccc(NC(N)=O)c3)C2)cc1	855229094	KCJGJQKFAMTTQQ-HNNXBMFYSA-N	354.410	2.195	10	10	FECE	
O[C@H](CNc1ccccc1OC[C@H]1CCCCO1)CC1(O)CCOCC1	872210836	ONCNSKVAGWNCET-DLBZAZTESA-N	365.470	2.339	10	10	FECE	
CC(C)NS(=O)(=O)c1cccc(C(=O)N2Cc3cccc(O)c3C2)c1	871198254	HZSQATPBIBFIGG-UHFFFAOYSA-N	360.435	2.235	10	10	FECE	
COc1cnccc1[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1	782558630	FIORDGLBGJYDBW-HNNXBMFYSA-N	370.453	2.487	10	10	FECE	
CO[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	894592578	LFAJBQRREXCZLH-RBUKOAKNSA-N	373.497	2.210	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNc3ncccc3[N+](=O)[O-])cc2)CC1	1307211190	RKELHSPVUDDKED-UHFFFAOYSA-N	355.398	2.304	10	10	FECE	
Cn1c(C(=O)NCc2ccccc2O)cnc1CNC(=O)OC(C)(C)C	2124327319	ZBVPUDUNVBKVHT-UHFFFAOYSA-N	360.414	2.080	10	10	FECE	
O=C(O)Cc1ccc(CCNCc2ccc(N3CCOCC3)cc2)cc1	1334853229	ODZVZUCKVKOKRQ-UHFFFAOYSA-N	354.450	2.483	10	10	FECE	
O=C(NCc1cccc(O)c1O)[C@@H]1CCCN1c1ncnc2sccc12	1347541784	HSHJXKZSYDTBAY-ZDUSSCGKSA-N	370.434	2.388	10	10	FECE	
C[C@H](O)CN(c1nnc(-c2sccc2O)n1C[C@H]1CCOC1)C1CC1	1349323010	ASKRMWMHBLSDOQ-NWDGAFQWSA-N	364.471	2.098	10	10	FECE	
CCOCc1nnc(N(C)[C@H]2CCOC2)n1Cc1ccc(N(C)C)cc1C	1503006442	FELVFRIGAWYFRA-SFHVURJKSA-N	373.501	2.462	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)cc1	1292988405	XNZWELYJFVZJPJ-MRXNPFEDSA-N	359.430	2.222	10	10	FECE	
O=C(CCc1ccccc1N1CCOCC1)NCc1c(O)cccc1O	1456315522	JPXXOSOGBKFZCJ-UHFFFAOYSA-N	356.422	2.183	10	10	FECE	
COC(=O)c1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)cc1OC	1466084009	BJBIWJJKSRBSPA-VMPITWQZSA-N	357.362	2.223	10	10	FECE	
Cc1cc(CC(=O)NC[C@@H](O)[C@@H](C)O)c(C)n1-c1ccc(Cl)cc1	1470645265	PZHDFASUGVLUJO-CXAGYDPISA-N	350.846	2.148	10	10	FECE	
O=C(C[C@@H]1COCCN1C(=O)Cc1ccc(O)c(O)c1)c1ccccc1	1635541383	LYXYYELTTVBFKC-MRXNPFEDSA-N	355.390	2.141	10	10	FECE	
CCc1nnc(N2C[C@H](OC)[C@H](OC)C2)n1Cc1ccc(N(C)C)cc1C	1727634157	OUZLBAGSXGLUIA-HDICACEKSA-N	373.501	2.113	10	10	FECE	
Nc1nnc([C@H]2CCCN(C(=O)c3cc4cc(O)c(O)cc4s3)C2)o1	1647883146	HJPVBWKPGJSJAY-QMMMGPOBSA-N	360.395	2.298	10	10	FECE	
Cc1nnc(N(C)[C@H]2CCOC2)n1Cc1ccc(N2CCSCC2)cc1	1762507533	IEPQPKWEWRWWQB-SFHVURJKSA-N	373.526	2.413	10	10	FECE	
COc1ccc(CNCC2(CNC(=O)OC(C)(C)C)COC2)c(O)c1	2056738563	BWGUBIXANUCYGO-UHFFFAOYSA-N	352.431	2.032	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)NCCCCN=[N+]=[N-]	2060609920	BDEBWWMRQABVMT-CHWSQXEVSA-N	355.439	2.465	10	10	FECE	
C[C@H](CCS(C)(=O)=O)N(C)c1ccc(CO)c(Br)c1	2104459456	PAAFLCRYERZKTL-SNVBAGLBSA-N	350.278	2.201	10	10	FECE	
CN(C[C@@H]1CN(CCOc2ccc(N)cc2)CCO1)C(=O)OC(C)(C)C	2106673791	FOXJIDFFRAFGQX-QGZVFWFLSA-N	365.474	2.215	10	10	FECE	
CC(C)(C)OC(=O)NC1[C@H]2CN(c3cc4c(cc3N)NC(=O)CC4)C[C@H]12	2107819891	IUPPQMFQDLYQPP-RYUDHWBXSA-N	358.442	2.113	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](CNCc2cccc(O)c2O)C[C@H]2COC[C@H]21	2097563963	AETORRLYIBBGIE-SOUVJXGZSA-N	364.442	2.212	10	10	FECE	
CCOC(=O)C[C@H](C)CNC(=O)C=Cc1ccc(N2CCOCC2)cc1	2304649633	HQHSNMNXECZOKJ-INIZCTEOSA-N	360.454	2.242	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1	2315993072	WIZXZQLKDVTEDU-ZDUSSCGKSA-N	354.455	2.086	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H](NC(=O)OC(C)(C)C)c1cnn(C)c1	2315986600	FZMXYAIDDVNGAU-LBPRGKRZSA-N	351.411	2.145	10	10	FECE	
CC1(C)[C@H]2CC[C@@]1(C(=O)N1CCN(c3ccccc3F)CC1)C(=O)C2=O	101103680	RGXVFNXMQUJQLH-RBZFPXEDSA-N	358.413	2.049	10	10	FECE	
Cc1n[nH]c([C@@H]2CN(C(=O)c3cc(C)n(-c4ccccn4)c3C)CCO2)n1	173550888	KNINNWYBCCSAGJ-INIZCTEOSA-N	366.425	2.129	10	10	FECE	
Cc1cc(C(=O)NC[C@@H](c2cnn(C)c2)N(C)C)c(C)n1-c1ccccn1	117842557	RNNUPZBYWCICSO-SFHVURJKSA-N	366.469	2.255	10	10	FECE	
Nc1ccc(CCNC(=O)[C@@H]2CC[C@H](C(=O)O)N2Cc2ccccc2)cc1	2162221124	LMJAYRAQMZDJOR-RBUKOAKNSA-N	367.449	2.045	10	10	FECE	
CN(C(=O)CN1C[C@@H]2C[C@H](C1)CN2C(=O)OC(C)(C)C)c1ccc(N)cc1	2163043288	HSOFCKVASQICRU-PBHICJAKSA-N	374.485	2.173	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCC(CNS(C)(=O)=O)CC2)cc1	835052005	JRPVSYLWRDCAOB-PLNGDYQASA-N	351.516	2.027	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](F)C(=O)NCc2ccc(O)cc2O)C1	910957261	QNQMGQZLFAGMIM-IUODEOHRSA-N	368.405	2.309	10	10	FECE	
Cn1nccc1[C@H]1COCCN1C(=O)NCc1ccc(N2CC=CC2)cc1	845003125	RDTYWOAHTUXMMG-LJQANCHMSA-N	367.453	2.079	10	10	FECE	
C[C@@H](NC(=O)N[C@](C)(CCF)C(=O)O)c1ccc(N2CCOCC2)cc1	849236228	DKOAPAIVBZDNHJ-FZKQIMNGSA-N	367.421	2.086	10	10	FECE	
Cn1nccc1[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)OC(C)(C)C	844099237	JRAGFEXSMAUSEJ-BQLWYNFJSA-N	373.409	2.044	10	10	FECE	
Cn1cnnc1N1CCN(Cc2c(O)ccc3oc4c(c23)CCCC4)CC1	848497803	REIRPERIBKWXSR-UHFFFAOYSA-N	367.453	2.468	10	10	FECE	
Cc1ccc(C(=O)N[C@H](Cc2ccncc2)C(=O)OC(C)(C)C)c(O)c1O	848363736	KAAIVCKPIFWZSE-OAHLLOKOSA-N	372.421	2.484	10	10	FECE	
Oc1ccsc1-c1nnc(N2C[C@@H]3[C@H](C2)C3(F)F)n1C[C@H]1CCOC1	1345431561	DOTFMTZRKCNMNL-MXWKQRLJSA-N	368.409	2.450	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@H]2CCN(C)C2=O)C1	769664212	ATHMKAGKXAXVQI-IBGZPJMESA-N	369.465	2.182	10	10	FECE	
Cn1cc(/C=C/C(=O)N2C[C@@H](C(C)(C)C)c3ccccc32)c(=O)n(C)c1=O	768109351	YAMJPMDCFILVLH-SIFUEBAJSA-N	367.449	2.274	10	10	FECE	
C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C(=O)NCCc1ccc(N)cc1	1117981305	URJOEEFUDBRQTI-FZMZJTMJSA-N	357.376	2.117	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cn2ccnc2s1	785817070	CKSAPWDRPLHFFP-UHFFFAOYSA-N	372.450	2.277	10	10	FECE	
COC(=O)C[C@@H]1CC[C@H](NC(=O)N[C@@H](C)c2cc(OC)ccc2O)C1	899116319	MNUPJZJFRUQLOU-XQQFMLRXSA-N	350.415	2.493	10	10	FECE	
CN(CCCCO)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	788316515	MSOJFRBHILFIEF-UHFFFAOYSA-N	374.529	2.133	10	10	FECE	
CCCN1CCC(CNC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1	793823511	IGENAANSJHMXMP-MRXNPFEDSA-N	374.529	2.168	10	10	FECE	
COC(=O)c1coc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)n1	1144694656	LYBVLMOZUFWEMB-UHFFFAOYSA-N	354.366	2.194	10	10	FECE	
CN(C)c1ccc([C@@H](O)[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1	1917209456	QVXJGWUVVBBGGX-IAGOWNOFSA-N	358.394	2.166	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2124512781	NPABPXSFJUNTHW-MGPQQGTHSA-N	367.450	2.296	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)C1	2124511905	ILZRWFQUBFOGJP-ZIAGYGMSSA-N	367.450	2.419	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H]1N(CC(=O)Nc1ccc(N)cc1)C2	2127634785	BZFPBDDQJGQMMB-XGWLTEMNSA-N	360.458	2.195	10	10	FECE	
COc1cc(N2CCN(Cc3cc(C)nnc3C)CC2)cc(OC)c1OC	1334785755	ZOJINPGWPAYQOB-UHFFFAOYSA-N	372.469	2.441	10	10	FECE	
COc1cccc(CNC(=O)[C@H]2[C@H]3C[C@H]3CN2C(=O)OC(C)(C)C)c1O	1445971086	RUKYVINNSDEKLW-KCQAQPDRSA-N	362.426	2.272	10	10	FECE	
CCc1c(C(=O)NCc2ccc(O)c(O)c2)nnn1Cc1ccccc1	1445902559	RIHNGJFGTXAGOW-UHFFFAOYSA-N	352.394	2.230	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(Cc2ccc(O)cc2O)C1	2136391278	WZSDKUYTZDQAFJ-JSGCOSHPSA-N	366.414	2.040	10	10	FECE	
C[C@H]1CCc2[nH]nc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)c2C1	1636779364	DSGFWTOQTKOZJV-HNNXBMFYSA-N	367.497	2.216	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCC2(NC(=O)[C@@]34CCC[C@@H]3C4)CC2)cc1	1759898256	HREOMFXRSFYMQM-BFUOFWGJSA-N	369.425	2.418	10	10	FECE	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H](O)c2cnn(C)c2)cc1	1595385631	RWZUGMTXRLALAL-LJQANCHMSA-N	368.437	2.342	10	10	FECE	
CO[C@H](C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C(=O)OC(C)(C)C	1597800917	SGYFCYJBGDBQOZ-WMLDXEAASA-N	364.486	2.465	10	10	FECE	
C[C@@H](CO)N(C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	152322185	JSCSJYXTACQUFT-STQMWFEESA-N	357.401	2.279	10	10	FECE	
COc1cccc(-n2nc(C(=O)Nc3ccc(N)cc3)c(=O)cc2C)c1	1866287606	ZBIKLJIFUYOZRZ-UHFFFAOYSA-N	350.378	2.384	10	10	FECE	
COc1ccccc1OCC(=O)N[C@H]1CCCN(Cc2ccc(N)cc2)C1	586062325	XYJXEAUZSDKPBD-SFHVURJKSA-N	369.465	2.437	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)NCC2(CN=[N+]=[N-])CC2)C[C@@H](O)C1(C)C	1879107796	WBJGDIYHICJBJT-DIFFPNOSSA-N	367.450	2.247	10	10	FECE	
C[C@@H](NCc1cc(Cl)cc(Br)c1O)C1CS(=O)(=O)C1	1966009852	JTSBGUFLWZKQNY-SSDOTTSWSA-N	368.680	2.331	10	10	FECE	
C[C@@H](N)c1ccc(N(C)[C@@H]2CS(=O)(=O)C2(C)C)cc1Br	2153850488	ZYTRDIIPCNQOIL-NOZJJQNGSA-N	361.305	2.481	10	10	FECE	
COCC1(NC(=O)OC(C)(C)C)CC(NCc2ccc(O)cc2O)C1	2035377245	WYZCNZWRXYVWPN-UHFFFAOYSA-N	352.431	2.260	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1cccc(O)c1O	2054398411	XUZKSIIQZPQHJU-NWDGAFQWSA-N	350.415	2.331	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N[C@@H]3CCC[C@H]3N=[N+]=[N-])CO[C@@H]1C2	2334184257	UPPSFSUWGGUPDF-OQJJDWEYSA-N	365.434	2.406	10	10	FECE	
COc1cccc(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1	102001501	OZDWFPICMXPLFJ-OAHLLOKOSA-N	370.453	2.487	10	10	FECE	
COc1cc(Br)c(Br)c([C@H](N)CCO)c1O	309575015	YIHMUTUMQXUEGG-ZCFIWIBFSA-N	355.026	2.308	10	10	FECE	
Cc1c(/C=C\C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cnn1C	254971969	FOCGPVNNFOJKDV-XQRVVYSFSA-N	358.417	2.034	10	10	FECE	
COc1ccc(CN2CC[C@H]2CNC(=O)c2c(F)ccc(O)c2O)cc1	530272830	DOJJIDDQSIEZQH-ZDUSSCGKSA-N	360.385	2.250	10	10	FECE	
COc1ccc(CNC(=O)C2CCN(C(=O)c3ccoc3)CC2)c(O)c1	373666010	KOSJIXIQLYGGQP-UHFFFAOYSA-N	358.394	2.162	10	10	FECE	
C[C@H]1CN(c2cc3c(cc2N)NC(=O)CC3)CC[C@@H]1NC(=O)C(F)(F)F	2163123590	NBODOZBEEHUDBS-CABZTGNLSA-N	370.375	2.047	10	10	FECE	
Cc1cc(CC(=O)NC[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1	820935346	QGVRCRXBVSEHNY-INIZCTEOSA-N	360.479	2.188	10	10	FECE	
Cc1ncccc1/C=C\C(=O)N1CCc2ccc(S(=O)(=O)N(C)C)cc21	825980639	HZGVTZPFUSEMPA-CLFYSBASSA-N	371.462	2.243	10	10	FECE	
Cc1cc(CC(=O)NC[C@@H]2CCCS2(=O)=O)c(C)n1-c1ccccc1	830412887	ZILUOHQNYAQWEF-SFHVURJKSA-N	360.479	2.330	10	10	FECE	
Cc1cc(CC(=O)N[C@@H](C)[C@H]2CN(C)CCO2)c(C)n1-c1ccccc1	830627430	IGTFPWDAODFODW-OXJNMPFZSA-N	355.482	2.472	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2cccc3nc(CO)[nH]c23)cc1	911890608	BJWCKDXEIKBXLO-UHFFFAOYSA-N	368.437	2.272	10	10	FECE	
COC(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)c1cc2cc(O)c(O)cc2s1	913437144	OXONOFHEHGNBCQ-BMLIUANNSA-N	365.407	2.105	10	10	FECE	
COc1cccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c1O	740128235	MDJSZICODIDGKL-UHFFFAOYSA-N	369.421	2.355	10	10	FECE	
O=C(O)/C=C/c1ccc(N2CCC(Cn3cnnc3)CC2)c([N+](=O)[O-])c1	846294009	HACCETAOYXOPKK-DUXPYHPUSA-N	357.370	2.201	10	10	FECE	
COC[C@@](C)(CCO)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	749923284	TXWMDCLHXUUMMF-GOSISDBHSA-N	351.447	2.462	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)Cn3cccn3)C2)cc1	851992502	MOGOHQRXYMZABA-CVEARBPZSA-N	357.458	2.106	10	10	FECE	
COc1cc(Br)cc([C@H](C)NC[C@@H](O)[C@@H]2CCCO2)c1O	858472340	YFCKWRKQAOKTOH-BIMULSAOSA-N	360.248	2.354	10	10	FECE	
C[C@]1(Br)C[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1	862225589	BOIXGALTHOKWDR-WBVHZDCISA-N	367.287	2.437	10	10	FECE	
Cn1ccnc(N2CCN(Cc3cc(Cl)cc(Cl)c3O)CC2)c1=O	769465648	ANWUHGAPISLLJX-UHFFFAOYSA-N	369.252	2.115	10	10	FECE	
Cc1ccc(C(=O)N2CCO[C@@H]([C@H](C)O)C2)cc1-n1c(C)cc(C=O)c1C	862005183	UWVLIUJGGGMENA-OXJNMPFZSA-N	370.449	2.437	10	10	FECE	
CO[C@H](C)CS(=O)(=O)NC(=O)c1cc(C)n(-c2ccccc2C)c1C	764194936	PCVPQBIPYFWGMP-CQSZACIVSA-N	364.467	2.497	10	10	FECE	
COC(=O)[C@H]1CCN(C(=O)/C=C/c2cnc(OC)nc2)c2ccccc21	776338424	HYJUACLCIBLHOG-KIUWMYQTSA-N	353.378	2.192	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)COc3ccsc3)cc2)CC1	894593810	XMLYAYKAQMONRZ-UHFFFAOYSA-N	373.478	2.145	10	10	FECE	
COc1ccc(OC)c(N2C(=O)/C(=C\N3CCOCC3)SC2=S)c1	1084174107	FBBQRYVMUDCCHD-GXDHUFHOSA-N	366.464	2.242	10	10	FECE	
Cc1cccc2c1CCC[C@@H]2NC(=O)C(=O)NCCc1ccc(N)cc1	1327843383	WFLDXWOLVWFONX-IBGZPJMESA-N	351.450	2.430	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1(C)C	2124330090	MOXHRDKFCBKISC-GJZGRUSLSA-N	364.442	2.306	10	10	FECE	
COc1ccc(F)cc1CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	1323134205	ZLKHHTBWMFLENS-UHFFFAOYSA-N	373.428	2.175	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](CC(=O)N2CC[C@@H](N=[N+]=[N-])C2)OCC12CC2	2128596918	JXFSBUKRYZEEDF-OLZOCXBDSA-N	365.434	2.456	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)c2ccc(N(C)C)nc2)N(C)C)cc1	1618635232	HMLWMJHBGMFYRP-GOSISDBHSA-N	355.486	2.246	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NCc2cccc(O)c2O)CC1	1921716523	SWWOTBMRUTZHKA-CABCVRRESA-N	366.458	2.195	10	10	FECE	
CCOc1nccc(C)c1C(=O)NCc1ccc(N2CCN(C)CC2)cc1	1625145019	DHKNEAGQUAUPCA-UHFFFAOYSA-N	368.481	2.471	10	10	FECE	
O=C(NCCNC(=O)c1cc2cc(O)c(O)cc2s1)c1ccc(O)cc1	1622744048	UOZUGXHDXYTWGQ-UHFFFAOYSA-N	372.402	2.178	10	10	FECE	
CCN1CCN([C@@H](C)CN[C@H](C)c2ccc(N3CCOCC3)cc2)CC1	155553978	WUYOCRCSXCKAPF-RBUKOAKNSA-N	360.546	2.200	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)C2(C(=O)O)CC2)N2CCCCC2)cc1	1866033350	MATABJGAPKLZRR-QGZVFWFLSA-N	359.470	2.261	10	10	FECE	
CNCc1ccc(N2CC[C@@H](CS(C)(=O)=O)C2)cc1Br	2143675581	YFLHHSAAXKPYGQ-LLVKDONJSA-N	361.305	2.039	10	10	FECE	
CCN[C@@H](c1ccccc1O)c1cnn(C)c1I	2029556927	XIPGNBLOWOGLMO-LBPRGKRZSA-N	357.195	2.429	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C	2163144124	LLDJOPYJHWNOHL-RTBURBONSA-N	374.529	2.491	10	10	FECE	
CN(c1ccc(CN)c(Br)c1)[C@@H]1CCCS(=O)(=O)CC1	710624137	WUNKITBJDCZRJH-GFCCVEGCSA-N	361.305	2.311	10	10	FECE	
C[C@@H](N)c1ccc(N2CC(C)(CS(C)(=O)=O)C2)cc1Br	2173194822	IONOKNSVTHVTKQ-SNVBAGLBSA-N	361.305	2.340	10	10	FECE	
CS(=O)(=O)CC1(CCNCc2cc(Br)ccc2O)CC1	692841447	HDDWGXHDJGHUPV-UHFFFAOYSA-N	362.289	2.459	10	10	FECE	
C[C@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)CCN1C(=O)OC(C)(C)C	2044650883	RRPDOTNXFJHOKP-ZDUSSCGKSA-N	369.487	2.040	10	10	FECE	
C[S@@](=O)C1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1	2051894034	HAFHOIQNOHKIBT-RUZDIDTESA-N	365.499	2.129	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)NCCCN=[N+]=[N-])OCC12CC2	2065370636	GZCVVSFXVICCHK-GFCCVEGCSA-N	353.423	2.362	10	10	FECE	
C[C@@H]1CN(CC(=O)N(C)c2ccc(N)cc2)CCN1C(=O)OC(C)(C)C	2106648390	DPLWMUIKVXIBFC-CQSZACIVSA-N	362.474	2.173	10	10	FECE	
CCOc1cc(C=C2SC(=S)N(C)C2=O)ccc1OS(C)(=O)=O	2297356863	BXOZTZPOVONDQT-UHFFFAOYSA-N	373.477	2.255	10	10	FECE	
CCOCCCNC(C)=C1C(=O)N(c2ccccc2)N=C1CC(=O)OC	2313681840	OMECSOCVMXZURK-UHFFFAOYSA-N	359.426	2.243	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1OC	2315988486	JDYVVOWNZDAQEE-QWHCGFSZSA-N	355.439	2.417	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)N3CCC[C@@H]3CN=[N+]=[N-])CO[C@H]1C2	2334184381	WJPHOVMYJRVIAD-KOFHJDLBSA-N	365.434	2.360	10	10	FECE	
Cc1cccc(CNC[C@@H]2CN(C(=O)OC(C)(C)C)[C@H]3CCN2C3)c1O	2342846117	PHPIYLJBJGCIDB-DLBZAZTESA-N	361.486	2.484	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCN(c4ccccc4F)CC3)cc2N1	301594225	FCKDQNCKBCDOEH-UHFFFAOYSA-N	372.356	2.391	10	10	FECE	
NCc1c(O)cc(I)cc1I	307313817	UOIFZJMFRPRDJV-UHFFFAOYSA-N	374.947	2.060	10	10	FECE	
CC(=O)N1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C(C)(C)C1	180403416	XIDFJHZNRSKDSA-RMKNXTFCSA-N	371.481	2.006	10	10	FECE	
C[C@@H]1CCCN1S(=O)(=O)NCc1ccc(N2CCSCC2)cc1	184909468	XHNDJIYGUBWRNC-CQSZACIVSA-N	355.529	2.059	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1cc(-c2ccccc2)nn1	183418597	NQCMQTZXNXYEEW-ZDUSSCGKSA-N	352.394	2.104	10	10	FECE	
CC[C@H](N[C@@H](C)C(=O)NCCOC)c1cc(Br)ccc1O	228983467	IEQCZRPYMVXPIJ-GWCFXTLKSA-N	359.264	2.347	10	10	FECE	
COc1cc(O)c(CN2CCC[C@H](c3nc(N(C)C)no3)C2)cc1OC	194924065	RBARZDZCTKWKNW-LBPRGKRZSA-N	362.430	2.238	10	10	FECE	
CN[C@@H]1C(=O)Nc2cc(N3C[C@H](C)O[C@@H](C)C3)c(Br)cc21	92774793	DXFYPFOBIZHENA-FZNYLWTLSA-N	354.248	2.275	10	10	FECE	
Nc1ccc(N(C(=S)NCCN2CCNCC2)c2ccccc2)cc1	243114127	JGGYIQJRSZCDTC-UHFFFAOYSA-N	355.511	2.187	10	10	FECE	
CO[C@@H]1COCC[C@H]1CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	294755302	ATYWYISWXPLJRD-VDZJLULYSA-N	363.454	2.341	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N1[C@H]2CC[C@H]1[C@@H](CO)C2	812006680	YLCAXXVRGNITHK-NJAFHUGGSA-N	361.511	2.295	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)c2cn([C@@H]3CCCNC3)nn2)cc1	826020854	XWVFGTOTWXHSIY-GOSISDBHSA-N	370.501	2.321	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cn(C)nc3Cl)CC2)cc1F	826777619	FELRNYBUOWZPOH-UHFFFAOYSA-N	352.797	2.184	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3ncoc3C(C)C)CC2)cc1	732064236	DCKAJWZDORODSV-UHFFFAOYSA-N	372.469	2.359	10	10	FECE	
O=C(COC(=O)c1cc(O)cs1)NCc1cnn(-c2ccccc2)c1	732354052	YWMYJNUJFJRTMC-UHFFFAOYSA-N	357.391	2.113	10	10	FECE	
CC[C@](C)(CO)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	847360716	CXARRXJODHOTOC-PJIJBLCYSA-N	352.450	2.464	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3cc(C)ccc3F)C2)cc1	850536148	HOSMIMFHQGLJPE-AWEZNQCLSA-N	371.412	2.476	10	10	FECE	
COC(=O)CN(Cc1cncc(OC)n1)Cc1cc(Cl)ccc1O	859188921	HFXZHOPTNVUFTJ-UHFFFAOYSA-N	351.790	2.019	10	10	FECE	
COCC1(NC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CC1	769042637	PFFOKIOHQZKODM-UHFFFAOYSA-N	372.513	2.197	10	10	FECE	
COc1ccc(N2CC[C@@H](N3C(=O)[C@H]4c5ccoc5CCN4C3=O)C2)cc1	863513018	WUGUPSOKSXDUFG-RDTXWAMCSA-N	367.405	2.429	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)c1	862133963	FUXSPJFWOAHUKV-DPOKWSEZSA-N	356.447	2.252	10	10	FECE	
Cc1ccc(C(=O)N2CCO[C@H]([C@@H](C)O)C2)cc1-n1c(C)cc(C=O)c1C	862005185	UWVLIUJGGGMENA-UZLBHIALSA-N	370.449	2.437	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCC(N3CCNC3=O)CC2)c1	781900660	NPBOWYCUJLYEIA-UHFFFAOYSA-N	368.275	2.453	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H](CO)C2	898168348	BBUAZXPZHNDJFL-LCLWPZTBSA-N	373.497	2.072	10	10	FECE	
COCCOCCN(C)Cc1c(C(=O)OC)n(C)c2ccc(F)cc12	894786584	KPHOSHBQRZHDBS-UHFFFAOYSA-N	352.406	2.199	10	10	FECE	
O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCCN(Cc2cc(F)cc(F)c2O)C1	895472600	DQDRSRPONHRZSU-DAXOMENPSA-N	368.424	2.302	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1nccc2occc12	1153664955	UKSUWAUXNFJTNI-ZDUSSCGKSA-N	370.361	2.143	10	10	FECE	
CCOC(C)(C)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1234335450	BXFYYCLBXKKBOS-KRWDZBQOSA-N	350.507	2.470	10	10	FECE	
CO[C@@H]1CC[C@@H]1N(C)C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	1354452797	HGMWYELOECWEPG-RBUKOAKNSA-N	373.497	2.175	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1CCCNC(=O)C(C)C	1513796729	ZQHOTNYQUOWGQK-UHFFFAOYSA-N	359.474	2.345	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)Cc2ccc(O)c(O)c2)C1	1467428536	WJDNKRSTUSCGFG-IBGZPJMESA-N	364.442	2.404	10	10	FECE	
CSc1ncc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cn1	1182701	NBOATYYKPNOAGH-WUXMJOGZSA-N	358.354	2.004	10	10	FECE	
C[C@H]1[C@@H](C(=O)NCc2cc(O)ccc2O)CCN1C(=O)OC(C)(C)C	1644753856	LHRAGAVPHVKGBP-FZMZJTMJSA-N	350.415	2.360	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)c3ncccc3N)cc2F)C[C@H](C)O1	1596695020	LWZXAGFFDFLOIC-STQMWFEESA-N	358.417	2.347	10	10	FECE	
CCN[C@@H](C)c1ccc(N2CC(S(C)(=O)=O)C2)cc1Br	2152284307	JBXOQPHIDBHCKI-JTQLQIEISA-N	361.305	2.353	10	10	FECE	
CC(C)(C)OC(=O)NCc1nc(=NCc2ccc(F)cc2O)s[nH]1	2024899922	SICAPKODJQXGPG-UHFFFAOYSA-N	354.407	2.442	10	10	FECE	
Nc1ccc(OC[C@@H](O)CN2CCCN(Cc3ccccc3)CC2)cc1	323488143	RKKWCPOZYRLHOO-FQEVSTJZSA-N	355.482	2.216	10	10	FECE	
C[C@](NC(=O)C(F)(F)F)(C(=O)NCc1ccccc1O)C(F)(F)F	2060381922	KFRUGINXMVYMMH-NSHDSACASA-N	358.238	2.008	10	10	FECE	
CCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2060634913	FNGFVGWQGCNNPH-QWHCGFSZSA-N	355.439	2.465	10	10	FECE	
C[C@@H]1CN(CCC(=O)Nc2ccc(N)cc2)C[C@H]1NC(=O)OC(C)(C)C	2106661271	BPOXOGPXMQCNQE-CZUORRHYSA-N	362.474	2.442	10	10	FECE	
CCON(CCNC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ccc(N)cc1	2106749850	FNKMBKWLQLLPMO-CYBMUJFWSA-N	366.462	2.374	10	10	FECE	
CN1C(=O)[C@H](O)c2ccc(N3CC[C@H](N(C)Cc4ccccc4)C3)cc21	2095819829	KMOXIDLMUHLQBU-FXAWDEMLSA-N	351.450	2.407	10	10	FECE	
CN(Cc1cc(N)ccc1O)C[C@@]1(O)CCCN(Cc2ccccc2)C1	2270910865	WTORUORGYUMOLM-NRFANRHFSA-N	355.482	2.433	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]12C[C@H]1CN(C(=O)COc1ccc(N)cc1)C2	2272649652	KYXRBPGAMNPWFW-ORAYPTAESA-N	361.442	2.021	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)NCCc1ccc(O)c(O)c1	2301396380	UNIOOGASHUVLEF-UHFFFAOYSA-N	368.433	2.307	10	10	FECE	
COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCCC(=O)O	2314931130	CNRWCYYOEZNDDB-UHFFFAOYSA-N	353.421	2.380	10	10	FECE	
Cc1ccccc1N/C=C1/C(=O)NN=C1c1c(O)c2ccccc2n(C)c1=O	100261017	WDTUNJKUQRVDCQ-SDNWHVSQSA-N	374.400	2.382	10	10	FECE	
CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(N(C)C)cc1	109137348	BBHHRDOWHQTIPB-LJQANCHMSA-N	368.481	2.251	10	10	FECE	
Cc1cccc(S(=O)(=O)N2CCN(c3ccc4c(c3)CC(=O)N4)CC2)c1	62575974	GDWQBACBVDPDKB-UHFFFAOYSA-N	371.462	2.001	10	10	FECE	
CCC1(CC)CN(C(=O)c2ccccc2SCC(N)=O)CC[S@@]1=O	186799574	VYBSHDIRCLVZAQ-DEOSSOPVSA-N	368.524	2.027	10	10	FECE	
C[C@H](C1CC1)n1nccc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1	191972008	VNQMUAJWYAUAPQ-CYBMUJFWSA-N	355.442	2.175	10	10	FECE	
CCCS(=O)(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92558793	WYIKYWYFIOEQAZ-UHFFFAOYSA-N	351.516	2.048	10	10	FECE	
COc1ccc(N2CCN(c3nccc(C(=O)NCC(C)C)n3)CC2)cc1	243670550	PDSNXIILBNRBQV-UHFFFAOYSA-N	369.469	2.198	10	10	FECE	
NS(=O)(=O)C[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1	271177824	LAXWLEJRBHRWCU-KRWDZBQOSA-N	351.516	2.177	10	10	FECE	
Cc1cc(Cl)cc(CN2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c1O	289369399	LGUBVKHOJSTGLY-ZDUSSCGKSA-N	360.907	2.457	10	10	FECE	
Cc1ccc(CN2C[C@H](C)S(=O)(=O)[C@H](C)C2)c(O)c1Br	2380733213	NIRZGLJODSHRHA-PHIMTYICSA-N	362.289	2.471	10	10	FECE	
COC1CCC(CNC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CC1	806946206	SOIUHSJLRFPGDK-UHFFFAOYSA-N	361.486	2.032	10	10	FECE	
C[C@H](NC(=O)N1CCO[C@@H](C(F)F)C1)c1ccc(N2CCOCC2)cc1	801001672	NRCKMPMXKNPBDN-XJKSGUPXSA-N	369.412	2.260	10	10	FECE	
Cc1cnc(N)c(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)c1	811704397	FGELTJOOWWYYBB-UHFFFAOYSA-N	351.428	2.404	10	10	FECE	
COc1ccc(N2CC[C@H](N[C@H]3CCC[C@@H](S(C)(=O)=O)C3)C2)cc1	826846318	SQMMPRLOQIRQLZ-RLFYNMQTSA-N	352.500	2.219	10	10	FECE	
COc1cc(Br)cc(CN2CC[C@H](Cn3ccnn3)C2)c1O	826845339	JARVFBCKJURKKE-NSHDSACASA-N	367.247	2.277	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)c3csc(C(=O)O)n3)C2)cc1	909851117	LYQBPSXXTRBQQY-NSHDSACASA-N	361.423	2.106	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@H](Cc1cncs1)C(=O)O	908848167	ZDQKILORBPZGJD-MRXNPFEDSA-N	374.466	2.238	10	10	FECE	
CC1(C)C(C)(C)C1(C(=O)O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	902080007	BRQNWNUVRZNFBV-UHFFFAOYSA-N	374.481	2.401	10	10	FECE	
COC[C@](C)(O)CCNC(=O)NCc1cc(Cl)cc(Cl)c1O	836534107	PGVANTQKZKIFIY-CQSZACIVSA-N	351.230	2.286	10	10	FECE	
Cc1cc(C(=O)N[C@H](C[C@H]2CCCOC2)C(=O)O)c(C)n1-c1ccccn1	910237152	SUVPAPVWRRZVCJ-NVXWUHKLSA-N	371.437	2.489	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(N)cc3)C2)cc1	851663422	YPERJHYELIYGSH-KRWDZBQOSA-N	354.454	2.398	10	10	FECE	
CC1(C)C[C@H](N)C[C@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1	925485999	PUYADXZYJJWQQP-KSZLIROESA-N	358.530	2.384	10	10	FECE	
C[C@H](NC(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C)c1ccccc1O	827973149	IXYBLZNDPXCCFI-JSGCOSHPSA-N	350.415	2.205	10	10	FECE	
CC[C@H](CC(F)F)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	855396732	VJNLKYITDSPHRL-CQSZACIVSA-N	374.453	2.219	10	10	FECE	
Cc1cc(CC(=O)N2CC3(CN(C)C(=O)O3)C2)c(C)n1-c1ccccc1	854962867	YLBSAJGCXROZGR-UHFFFAOYSA-N	353.422	2.300	10	10	FECE	
O=C1CCCN1c1ccc(S(=O)(=O)N2Cc3cccc(O)c3C2)cc1	867689220	KDOJGAQOJGLEPA-UHFFFAOYSA-N	358.419	2.224	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3c[nH]nc3[C@@H]3CCCO3)C2)cc1	869229868	AKAUWLQZALAGIU-GUYCJALGSA-N	356.426	2.279	10	10	FECE	
CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)cc1	761998901	AMNXLYJUHQQVSG-UHFFFAOYSA-N	364.423	2.340	10	10	FECE	
CS(=O)(=O)c1nc2ccccc2n1Cc1ccc(N2CCOCC2)cc1	877887956	BRSVNASDQKZYHW-UHFFFAOYSA-N	371.462	2.325	10	10	FECE	
CC[C@@H]1C(=O)N(CC)CCN1c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-]	777841669	UHSBFCZSUURPKP-IUCKJTJTSA-N	361.398	2.228	10	10	FECE	
Cc1cc(CC(=O)NCCc2nnc(S)n2C)c(C)n1-c1ccccc1	1118639750	CBDMFTXRIHUWEO-UHFFFAOYSA-N	369.494	2.413	10	10	FECE	
CN1CCCc2cc(CNC(=O)C(=O)NCc3ccc(Cl)o3)ccc21	775236936	WZKTXGQTHSGIEG-UHFFFAOYSA-N	361.829	2.248	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CC[C@H](O)[C@H](O)CC3)c2C)cc1	1124036935	QKWOMVBYFTYGNY-VVNNIFPWSA-N	372.465	2.497	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3cc(F)ncc3C)CC2)cc1	896330872	PRXWGDFSWLHAIW-UHFFFAOYSA-N	372.444	2.090	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)cc1	790670115	AETLRCMDKWKWFN-SJLPKXTDSA-N	365.518	2.490	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)C1(O)Cc2ccccc2C1	1323207605	UPWJZQAAQVRAGW-UHFFFAOYSA-N	362.223	2.301	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@H]2CN1c1cc2c(cc1N)OCCO2	1905538383	YBIAMWLBWILCRG-YWPYICTPSA-N	361.442	2.389	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(C)Oc2ccccc2NC1=O	1353245106	JFWQXVXLVPHEQZ-FQEVSTJZSA-N	353.422	2.467	10	10	FECE	
N[C@H]1C(=O)Nc2cc(N3[C@H]4CC[C@H]3CSC4)c(Br)cc21	1914583441	RSQWEHIWAFOIAZ-UVPNAGLESA-N	354.273	2.485	10	10	FECE	
CC(=O)CC1(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)CCC1	1466882391	KUXBSQJPZRURMJ-UHFFFAOYSA-N	371.481	2.121	10	10	FECE	
Cc1nc(O)c2ccc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc2n1	1556157587	FURYHPSOBYYPNA-SNVBAGLBSA-N	353.378	2.416	10	10	FECE	
CCN1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)[C@H](C)C1	1638923533	VQKONVBQAXLGNO-APWZRJJASA-N	361.534	2.091	10	10	FECE	
C[C@H](CONC(=O)/C=C\c1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	1631954161	PCPHYJOLRVGTOL-BPOWMSRESA-N	352.387	2.072	10	10	FECE	
CCOC(=O)c1ccc(NC(=O)CCN2C(=O)[C@H](C)SC2=S)cc1	11635957	JHJBXHFKHUAKHQ-JTQLQIEISA-N	366.464	2.441	10	10	FECE	
CCOc1ccc(N2C(=O)/C(=C\c3cccn3C)C(=O)NC2=S)cc1	6266724	RPCCIFNWBDJZNG-PTNGSMBKSA-N	355.419	2.255	10	10	FECE	
CC(=O)Nc1cccc(N(C)S(=O)(=O)c2cccc3nsnc23)c1	1892073961	CFNFNSZYIIIHEK-UHFFFAOYSA-N	362.436	2.475	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C2(CNc3ccc(N)cc3)COC2)CC1	1880968003	HVAQNNBPNOLCDH-UHFFFAOYSA-N	362.474	2.002	10	10	FECE	
C[C@H]1Cn2[nH]c(=NCc3cccc(O)c3O)cc2CN1C(=O)OC(C)(C)C	2149120256	DIRXAAASHCJATN-LBPRGKRZSA-N	374.441	2.468	10	10	FECE	
COc1cc(Cl)cc(CNC[C@H](CO)NC(=O)OC(C)(C)C)c1O	2011518623	REQBIJNSXBGGPQ-GFCCVEGCSA-N	360.838	2.029	10	10	FECE	
Nc1ccc(CCNC(=O)[C@H]2CC[C@@H](C(=O)O)N2Cc2ccccc2)cc1	2162221122	LMJAYRAQMZDJOR-MOPGFXCFSA-N	367.449	2.045	10	10	FECE	
C[C@@H](CNS(=O)(=O)Cc1ccc(N)cc1)CN(C)C(=O)OC(C)(C)C	2044251411	QEWQDYFRZQAUAA-ZDUSSCGKSA-N	371.503	2.191	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC[C@H](N=[N+]=[N-])C2)C[C@H]2OCC[C@@H]21	2060611364	SEEQSDPFCASNBA-ZDEQEGDKSA-N	351.407	2.065	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)N3CC[C@H](N=[N+]=[N-])C3)O2)C1	2084600146	IBWDWKDURIUROM-NWDGAFQWSA-N	351.407	2.066	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C	2106849607	YHCDSEJDQLUQOH-XYJFISCASA-N	361.486	2.479	10	10	FECE	
COc1ccc(N2CCN(C[C@H](N)COCc3ccccc3)CC2)cc1	2095539077	VESOHJVCVJLRRX-IBGZPJMESA-N	355.482	2.361	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](NC(=O)COc2ccc(N)cc2)C[C@@H](F)C1	2226267485	SZGPDESSPOJTQN-OCCSQVGLSA-N	367.421	2.111	10	10	FECE	
CN(C[C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(CO)c(Br)c1	2285294340	AFPYTZDCWODGCA-MJHDQNEOSA-N	362.289	2.201	10	10	FECE	
CSCC[C@@H](C(=O)O)N1C(=O)C(=Cc2cccnc2)SC1=S	2296114105	MKMMEPPSXJNVIE-JTQLQIEISA-N	354.478	2.489	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]1(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])CCCO1	2312333933	GYNDWZITBHILET-BFQNTYOBSA-N	353.423	2.408	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@H](CNC(=O)OC(C)(C)C)[C@@H]1CCOC1	2315986944	KZYJFNXXAUFZDN-CHWSQXEVSA-N	355.439	2.323	10	10	FECE	
CNC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)cc1	57680224	CGGZTFHGDCNIFN-UHFFFAOYSA-N	374.447	2.366	10	10	FECE	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(C[C@H]2CCCO2)CC1	198213173	PXFCUIPUDBOOIN-MRXNPFEDSA-N	368.437	2.187	10	10	FECE	
C[C@H](CNC(=O)NCc1cc(Br)ccc1O)N(C)C1CC1	805186778	SREDWJWSCBGCTF-SNVBAGLBSA-N	356.264	2.437	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(=NCc2ccc(N)cc2)[nH][nH]1	2130559015	PKIHILOVUACWST-AWEZNQCLSA-N	358.446	2.493	10	10	FECE	
Cc1cc(O)c(CNC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1Cl	825325163	BQEOZUPRUYZJSD-SJKOYZFVSA-N	351.834	2.164	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)C34CCN(CC3)C4)cc2F)C[C@@H](C)O1	900269034	IVPHWCQXQOEBQL-HUUCEWRRSA-N	361.461	2.151	10	10	FECE	
Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C(=O)/C=C\c1ccc(O)c(O)c1	588479496	RMZSRXAGPWTUQN-JFLVJKQUSA-N	370.380	2.258	10	10	FECE	
Cc1ccncc1S(=O)(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	830599398	NNKCPYBZELGZIC-MRXNPFEDSA-N	362.451	2.466	10	10	FECE	
O=C(NCc1c(O)cccc1F)NC1CCN(C(=O)c2ccco2)CC1	913982971	GNOVAVBQZWMDGR-UHFFFAOYSA-N	361.373	2.228	10	10	FECE	
CC(C)N1CC[C@@H](C(=O)NCc2c(O)cccc2F)[C@H](c2cnn(C)c2)C1	928712553	RVOBPWBAYNFFLO-WBVHZDCISA-N	374.460	2.395	10	10	FECE	
CC1(C)CCCN1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	852500279	KBNPCDOGIWLWSQ-UHFFFAOYSA-N	365.499	2.005	10	10	FECE	
C[C@H](N[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O)c1ccc(N(C)C)cc1	851949943	KMXWVDIIEWIYGO-WMLDXEAASA-N	361.486	2.346	10	10	FECE	
CN1CCN(c2ccc(CNCc3ncc(Br)[nH]3)cc2)CC1	922333154	MAGSYVCNEVTYTK-UHFFFAOYSA-N	364.291	2.214	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)NCC12CC(CN1)C2	851676660	FVYOMRCHBOIMSO-UHFFFAOYSA-N	368.275	2.438	10	10	FECE	
COC[C@@H](CCNC(=O)NCc1cccc(Br)c1O)OC	852449362	UEVCXYACJNOIQM-LLVKDONJSA-N	361.236	2.005	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3CCCc4c[nH]nc43)C2)cc1	852453118	GJPOVQUESDFLMD-PBHICJAKSA-N	355.442	2.374	10	10	FECE	
C[C@@H]1[C@@H](NC(=O)c2c(F)ccc(O)c2O)CCN1C(=O)OC(C)(C)C	863945925	WWEURJXEBCEJCY-KOLCDFICSA-N	354.378	2.365	10	10	FECE	
C[C@@H]1O[C@H](C)C[C@@H]1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	868838511	HMVCNCARIYVYPP-DYEKYZERSA-N	354.397	2.231	10	10	FECE	
COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NCc2ccc(N(C)C)cc2)C1	773561664	CAVAOQYSDJQKRX-ZBFHGGJFSA-N	362.474	2.419	10	10	FECE	
C[C@@H](N[C@@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(N(C)C)cc1	783537267	WJJOFDIJPPARLN-CRAIPNDOSA-N	355.486	2.328	10	10	FECE	
COCc1ccc(OC)c(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1	795349012	RUJCDBQNYFRKGP-UHFFFAOYSA-N	368.367	2.256	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)c3ccoc3C3CC3)nc12	798707063	XJOGPTNMEMEVGS-UHFFFAOYSA-N	371.349	2.439	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H](O)c1ccccc1	1152401703	OJSBMCHMSJEXJY-QGZVFWFLSA-N	363.797	2.281	10	10	FECE	
O=C(NCc1cccc(O)c1O)c1cn2ccc(Br)cc2n1	1303195161	RHYZWZQUIGEPFF-UHFFFAOYSA-N	362.183	2.438	10	10	FECE	
COc1cccc(O)c1CN[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO	2116272330	CBYABMRRYDLIAK-ZFWWWQNUSA-N	366.458	2.108	10	10	FECE	
CC(C)(C)OC(=O)NCC1CN(CC(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C1	2124504750	CLAQHTVROBSIGQ-AWEZNQCLSA-N	366.466	2.134	10	10	FECE	
COc1ccc(O)c([C@@H](C)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1	2133179501	WUGHDTMACRRESK-SRCQZFHVSA-N	366.458	2.422	10	10	FECE	
C[C@@H](NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1cc(O)ccc1O	1918959947	DNEWKYALWWSBCC-XIKOKIGWSA-N	352.431	2.120	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cc2n(n1)CCC[C@H]2O	1557063386	MYKIETXJWIQBPS-IFXJQAMLSA-N	356.470	2.446	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cccc([N+](=O)[O-])c1N	1638529366	MYOOLOAKDHHVBN-UHFFFAOYSA-N	373.365	2.088	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1cccc(O)c1	1633472840	HVTWWWGVJFQIJU-INIZCTEOSA-N	373.405	2.027	10	10	FECE	
CN(C)[C@@H]1COC[C@H]1CNCc1cc(Cl)cc(Br)c1O	1924650859	ZCCTZEIQZDGUFZ-ZWNOBZJWSA-N	363.683	2.474	10	10	FECE	
COCCN(C)CCn1c(C2CCC2)nnc1N(C)Cc1ccccc1O	1769789103	JVFQKIHJLWQLOJ-UHFFFAOYSA-N	373.501	2.466	10	10	FECE	
CC[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1	1680173687	ZFPVTNWCWPURJP-LALPHHSUSA-N	359.430	2.472	10	10	FECE	
O=C(NCc1cc(=O)n2ccccc2n1)NCc1cccc(Cl)c1O	1682391919	DKPYEHOTYOBQKD-UHFFFAOYSA-N	358.785	2.053	10	10	FECE	
C[C@H](NC[C@H](O)CN1CCCCC1)c1ccc(N2CCC(O)CC2)cc1	151249639	UBAZZWBVJJHRSC-UWJYYQICSA-N	361.530	2.145	10	10	FECE	
CCOc1cccc(CNCCC(=O)NCc2ccc(C(=O)O)cc2)c1O	1857860284	WOTWDABKTBRTBO-UHFFFAOYSA-N	372.421	2.285	10	10	FECE	
C[C@H](NC(=O)C1=C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O	1877573990	QYAJSZKCUMPYOO-PJODQICGSA-N	362.426	2.154	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CNC(=O)c1cccc(O)c1O)C(F)(F)F	1965231024	BHFSACIYPYCDTA-SNVBAGLBSA-N	364.320	2.283	10	10	FECE	
Nc1ccc(CC(=O)N[C@H]2CC[C@H]2NC(=O)OCc2ccccc2)cc1	1977680351	PTGIWLSJRYZQDI-ZWKOTPCHSA-N	353.422	2.385	10	10	FECE	
C[C@H](N=c1[nH]ccnc1I)c1ccc(O)cc1O	2057936495	CAACVBHVDVPVRX-ZETCQYMHSA-N	357.151	2.087	10	10	FECE	
COC[C@H](CC(=O)N1CCC[C@H](CN=[N+]=[N-])C1)NC(=O)OC(C)(C)C	2060617893	SJSSOLLOQOXGHV-OLZOCXBDSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2073949845	KRKGLQMMDBWFKU-JHJVBQTASA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1cccnc1)C(=O)N1CC[C@H](N=[N+]=[N-])C1	2229159635	FPLQKLDHQGJCIJ-KBPBESRZSA-N	360.418	2.429	10	10	FECE	
C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@@H]1CCCN1C(=O)OC(C)(C)C	2271392741	FWPSVWPPIRVBGF-PWSUYJOCSA-N	366.414	2.321	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(O)c(O)c2O)[C@@H]2C[C@@H]21	2309981059	XQYQQKKGNUIEBQ-XQQFMLRXSA-N	350.415	2.291	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@]12COC[C@@H]1CN(C(=O)OC(C)(C)C)C2	2315986420	CZNPDTYIPNABSJ-BLLLJJGKSA-N	353.423	2.029	10	10	FECE	
Cn1ncc(I)c1NC(=O)Nc1ccc(N)cc1	2328332830	QXSAUQBSGQOCGT-UHFFFAOYSA-N	357.155	2.251	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CC(=O)N2CCc3cc(O)c(O)cc3C2)C1	2341197903	UENRINXAAGZHOV-UHFFFAOYSA-N	362.426	2.240	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NCc3cccc(O)c3O)C[C@H]21	2343107714	AOMMUVDBZBMYJV-SQWLQELKSA-N	364.442	2.354	10	10	FECE	
COc1cccc(CNC(=O)c2ccc(Cn3ccccc3=O)o2)c1O	105652083	FNOVOIRRYBACFD-UHFFFAOYSA-N	354.362	2.134	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CC[C@H](C(=O)OC(C)(C)C)C2)cc1	178835034	WYUSRYSGRSGGFX-INIZCTEOSA-N	361.486	2.032	10	10	FECE	
C[C@H](O)CN(CCNCc1ccc2c(c1)CCO2)C(=O)OC(C)(C)C	302103284	KKDLEJNSBBRABI-AWEZNQCLSA-N	350.459	2.329	10	10	FECE	
COC[C@@H](O)CN1CCC(N[C@@H](C)c2cc3c(cc2O)CCCC3)CC1	186194763	PGUGBFVWCKGTBD-KXBFYZLASA-N	362.514	2.393	10	10	FECE	
Nc1ccc(O)c(CNS(=O)(=O)c2cc(Br)cs2)c1	311628510	NYDTUPUEEHYRJR-UHFFFAOYSA-N	363.258	2.277	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)[C@H](C)c3cccnc3)CC2)cc1	266834466	KWGJVFYJBMQKOJ-QGZVFWFLSA-N	368.481	2.132	10	10	FECE	
COc1cccc(CN2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)c1O	368144453	ZHJKLUKZBYAIBY-HOTGVXAUSA-N	368.433	2.410	10	10	FECE	
CC1(C)SC[C@@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	283675981	SUWIQIANCLCHGJ-INIZCTEOSA-N	367.490	2.480	10	10	FECE	
COc1cc(N2CCN(Cc3cc(Cl)c(F)cc3O)CC2)ncn1	816570309	PTKWWHYFHIKWPW-UHFFFAOYSA-N	352.797	2.306	10	10	FECE	
C[C@H]1Oc2cc(C(=O)O)ccc2N(OCCOc2ccc(N)cc2)C1=O	821299694	MUSKIMCZIFFNTL-LLVKDONJSA-N	358.350	2.092	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@@H](OC)C3)cc2F)CC1	826719058	DBMDRWFVHOAXCX-IAGOWNOFSA-N	363.477	2.399	10	10	FECE	
O=C(O)c1cnn2c(O)cc(CN3C[C@@H]4CCC[C@]4(C(F)(F)F)C3)nc12	903625063	DTHUQBIRSRVGHF-VFZGTOFNSA-N	370.331	2.298	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@](F)(CO)C2)C1	670166490	GGVBFOFSEYEHGZ-NRFANRHFSA-N	373.472	2.341	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)O[C@H]1CCOC1	914316796	DAZUYBBIABIPNZ-IBGZPJMESA-N	359.470	2.234	10	10	FECE	
Cc1cc(C(=O)N[C@H](CO)Cc2cncs2)c(C)n1-c1ccccn1	913700220	RCPYVRJJYVGVIT-AWEZNQCLSA-N	356.451	2.279	10	10	FECE	
Cc1ccc(O)c(CNC(=O)[C@H](O)[C@](O)(c2ccccc2)C(F)(F)F)c1	913000454	KACGVLYSJGFUEG-DOTOQJQBSA-N	369.339	2.128	10	10	FECE	
O=[N+]([O-])c1ccc(O)c(CNCC2(O)CCN(Cc3ccccc3)CC2)c1	840969561	IRMXIEBYYYCKRZ-UHFFFAOYSA-N	371.437	2.417	10	10	FECE	
COc1ccc(N2CCN(CCCN[C@H]3C[C@H](N)C34CCC4)CC2)cc1	925521806	WRRRSNZUNQYQKG-PMACEKPBSA-N	358.530	2.067	10	10	FECE	
COC1CC(CCNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1	852414264	LDHJSFXBDKAVEN-UHFFFAOYSA-N	361.486	2.262	10	10	FECE	
C[C@H](NC[C@@H](O)c1ccnn1C)c1ccc(N2CCOCC2)cc1Cl	927135656	ZWTSYJRITOAZPF-SCLBCKFNSA-N	364.877	2.294	10	10	FECE	
CCCN1CCC[C@H]1CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	854060835	LPHDWGVXJDCTAV-AEFFLSMTSA-N	360.502	2.448	10	10	FECE	
COc1ccc(CNC(=O)C(=O)Nc2cc(C)c(C)cc2OC)c(O)c1	850443766	NTFOUGOKNXINQH-UHFFFAOYSA-N	358.394	2.281	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CC[C@H]4CC[C@@H](C3)S4)nc12	859544289	SLSSMXXHLXAUTR-OLZOCXBDSA-N	362.455	2.082	10	10	FECE	
C[C@H](NS(=O)(=O)c1cccc(C(=O)NC2CC2)c1)c1ccccc1O	867834934	VSAWEXJFNMEFIK-LBPRGKRZSA-N	360.435	2.324	10	10	FECE	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1[C@H]2C[C@@H]3CO[C@@H]1[C@H]3C2	865315062	HFUHPDPXHOVPEY-VQNQDRIBSA-N	362.813	2.233	10	10	FECE	
O=C(c1cc(O)cs1)N1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)C(F)(F)F)C3	863591831	KNPVEJBQJQFHSD-VGDYDELISA-N	374.384	2.325	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H](c2cccnc2)C2CC2)c1	770134880	WAPWOVHFTCPLBU-INIZCTEOSA-N	361.423	2.040	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C[C@H](O)COc1ccc2c(c1)OCO2	774752683	KFCVTKIYDZNWPM-HNNXBMFYSA-N	372.421	2.120	10	10	FECE	
CCOC[C@H](C)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	777694698	HGZYODREEKMQNT-KRWDZBQOSA-N	374.529	2.443	10	10	FECE	
Cn1nccc1COC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O	773431146	KSSIXKATSTZBKC-UHFFFAOYSA-N	361.357	2.135	10	10	FECE	
C[C@@H]1C[C@@]2(CC[C@H](CNCc3ccc(N4CCN(C)CC4)cc3)O2)CO1	886331211	CFAWNAWKKCKXGG-UIFIKXQLSA-N	359.514	2.255	10	10	FECE	
CC(C)(COCC(F)F)C(=O)NCc1ccc(N2CCOCC2)cc1	786819341	NBHFDHOXXGVGNG-UHFFFAOYSA-N	356.413	2.447	10	10	FECE	
COC(=O)[C@@H]1[C@H](CN(C)Cc2ccc(N3CCOCC3)cc2)C1(F)F	893910908	QDAGRRJTPATOMD-HOTGVXAUSA-N	354.397	2.009	10	10	FECE	
[N-]=[N+]=NCCCN[C@H](C(N)=O)c1cccc(I)c1	394147994	FOGUMDLIYUBEIN-JTQLQIEISA-N	359.171	2.108	10	10	FECE	
CC[C@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)[C@H]1CCCOC1	897582811	DAPRVKWMVBMHEN-ROUUACIJSA-N	373.497	2.007	10	10	FECE	
C[C@@H](N)c1ccc(N(C)C2CC(S(C)(=O)=O)C2)cc1Br	716099617	DDXIBWXQJYWMDM-OIKLOGQESA-N	361.305	2.481	10	10	FECE	
CCOc1ccc(CN2CCc3cc(S(=O)(=O)NC)ccc32)c(O)c1	792176470	FBYHOJZACIZXTR-UHFFFAOYSA-N	362.451	2.262	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(F)cc(F)c2O)[C@@H](CO)C1	2116266061	OLCLUPSKWIKMSH-DOMZBBRYSA-N	372.412	2.378	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)NCC2(CN=[N+]=[N-])CC2)C1	2124541380	SADSARAWQNPONO-SJKOYZFVSA-N	365.434	2.077	10	10	FECE	
CN(Cc1nc(=N[C@H]2CCc3cccc(O)c32)[nH][nH]1)C(=O)OC(C)(C)C	2128848368	WPORCSWCJNFHEP-LBPRGKRZSA-N	359.430	2.399	10	10	FECE	
Cn1nc(C(=O)NCc2cc(O)ccc2O)cc1NC(=O)OC(C)(C)C	1471662236	UWMAQWKFPPPBSL-UHFFFAOYSA-N	362.386	2.108	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1	1625563734	LXRKDOBPONCVEC-AWEZNQCLSA-N	364.442	2.404	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1cccc(CN2C(=O)CSC2=O)c1	1635843355	NUQMAYYRXMZXBQ-UHFFFAOYSA-N	372.402	2.223	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1	1631434125	KWHQOAVEQNZUHS-NSHDSACASA-N	362.332	2.045	10	10	FECE	
COc1ccc(CN[C@@H]2CC[C@H](CNC(=O)Cc3n[nH]c(C)n3)C2)cc1C	1656294067	WUIFURKUEDFHLX-DLBZAZTESA-N	371.485	2.047	10	10	FECE	
C[C@@]1(C(=O)NCc2cc(O)ccc2O)CCCN1C(=O)c1ccccc1	1651222667	LXYKBHAFMRXSPB-FQEVSTJZSA-N	354.406	2.409	10	10	FECE	
COC[C@@H]1CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C[C@@H](C)O1	1772925128	NHGTWIMABROVBU-QZWGFMDZSA-N	350.371	2.021	10	10	FECE	
COC(=O)c1c(NC(=O)[C@H]2C[C@H](O)CN2)sc(C)c1-c1ccccc1	1866042406	YWWHRXGQTIWPBK-QWHCGFSZSA-N	360.435	2.171	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CC(C4(N)CC4)C3)ccc(N)c2C1	1876219805	MPBRGEUDFYMRHK-UHFFFAOYSA-N	358.486	2.490	10	10	FECE	
Cc1ccc(CN2CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C2)c(O)c1	1963049053	HFPFBFXNKYCWOQ-GOSISDBHSA-N	350.415	2.254	10	10	FECE	
O=C(NCC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(O)c(O)c1	311704133	SRUJZLOGPPHEIJ-QGZVFWFLSA-N	356.422	2.119	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(N)CCN(Cc2ccccc2)C1	693955383	INDIBOZOJWOBAG-JOCHJYFZSA-N	366.509	2.314	10	10	FECE	
C[C@@H]1COC[C@@H](C(=O)NCC2(CN=[N+]=[N-])CC2)N1C(=O)OC(C)(C)C	2060622042	UVNYAZFVRXKJOY-NEPJUHHUSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C[C@H]2CCC[C@@H]21	2260032668	KQYVPWUCQZPNEY-ZJEYORIJSA-N	350.459	2.336	10	10	FECE	
CC[C@@H](C(=O)O)N1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2O)SC1=S	2314928681	ADJXJOAEUJLMIJ-VIFPVBQESA-N	368.392	2.365	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@](C)(NCc1ccc2c(c1)CCO2)C(=O)O	2324690103	YSEUORLPGBPZIJ-GOSISDBHSA-N	350.415	2.079	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2333612966	GZSKHAOKXKJHQY-KOFHJDLBSA-N	365.434	2.360	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCO[C@H](c2nccs2)C1	171662381	VJIXCDKHDQZEAL-KRWDZBQOSA-N	374.510	2.241	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)c1	111646883	YVWDWYSZRMTEJL-ZFWWWQNUSA-N	360.435	2.297	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCO[C@H](Cc4ccccc4)C3)cc2N1	302044019	XILAOHPAXKDMDK-CQSZACIVSA-N	369.377	2.374	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3C[C@H](C)N(C4CC4)C3)CC2)cc1	175559960	SVOUUMPFSRQJFV-JKSUJKDBSA-N	358.486	2.152	10	10	FECE	
CC(C)n1nc(C(=O)NCCc2ccc(O)c(O)c2)c2ccccc2c1=O	98074663	GMOJQJXUFUIUBE-UHFFFAOYSA-N	367.405	2.361	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@@H]3C[C@@H]4OCCC[C@H]43)CC2)cc1	251773188	KZPUSKMNWMYFNW-OTWHNJEPSA-N	359.470	2.484	10	10	FECE	
Cc1nccn1C[C@@H](C)CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1	254976607	DQXQBPSQAMSOIW-AFCDSYGPSA-N	368.481	2.494	10	10	FECE	
NC(=O)COc1ccc(CNCc2cc(Br)ccc2O)cc1	731451373	VJWUUPADCUUGRO-UHFFFAOYSA-N	365.227	2.309	10	10	FECE	
CN(Cc1cccnc1)C[C@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	588533619	RVYNIKZZXDQZQV-LZCIBIBXSA-N	367.449	2.487	10	10	FECE	
CN(C)c1ccc(/C=C\CNCC(=O)NCCN2CCCCCC2)cc1	835056652	WMGBMLQLGPWBSO-FPLPWBNLSA-N	358.530	2.348	10	10	FECE	
C[C@H]1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C[C@@H]1C(=O)O	849366164	OACZDFQVMBSXQL-FZMZJTMJSA-N	359.451	2.499	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H](O)c1ccccc1OC	911304574	UTJVXVIZOMSOLV-LJQANCHMSA-N	373.405	2.026	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@@H](O)CC(F)(F)C1	840478870	CPTRZPBUVFOLHT-BBRMVZONSA-N	355.429	2.404	10	10	FECE	
NC/C=C/CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	841843385	GIUHBCJBUDJIHS-ZIYVKSGCSA-N	354.401	2.071	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc(N4CCC4)nc3)C2)cc1	855224588	MOKJPALYMOALQB-MRXNPFEDSA-N	352.438	2.309	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)NCc1c(O)cccc1F	928706336	QQGLAQBWVLWSKR-NHYWBVRUSA-N	368.405	2.077	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCN(CCO)C[C@H]2C)c1	861939829	YQFLRMCVTLASNM-MRXNPFEDSA-N	369.465	2.045	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)NC[C@H](O)[C@H]3CCCO3)c2C)cc1	862652307	WVEFQNSJCOXADW-RBUKOAKNSA-N	358.438	2.372	10	10	FECE	
O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C1=CCC1	779860075	SASBOJDCEHWTCZ-UHFFFAOYSA-N	367.428	2.279	10	10	FECE	
O=C1CO[C@]2(CCN(Cc3ccccc3O)C2)CN1Cc1ccccc1	895682727	XFBMHBOKTUHKGZ-NRFANRHFSA-N	352.434	2.396	10	10	FECE	
COc1cnccc1N1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1	796575431	MZTKSLIVPAZOMY-UHFFFAOYSA-N	359.401	2.460	10	10	FECE	
CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1cc2c(cc1N)OCCO2	711797262	WQZMCXIURFKLFV-OAQYLSRUSA-N	369.465	2.113	10	10	FECE	
O=C(NCc1ccnc(-n2cncn2)c1)NCc1cc(Cl)ccc1O	1234445991	LFMQIJGNYRALQW-UHFFFAOYSA-N	358.789	2.021	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@H]2CCOC2)n1C[C@H]1CC=CCO1	1314753429	PIKGXHFPZNBBDV-DLBZAZTESA-N	370.453	2.469	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@@]2(C1)CC2(F)F	1326694612	JMPHXJZUYJDLSR-SFHVURJKSA-N	365.424	2.325	10	10	FECE	
C[C@H](N=c1nc(CNC(=O)OC(C)(C)C)[nH]n1C)c1cc(F)ccc1O	2126794045	DFSDDAHMYUJXJJ-JTQLQIEISA-N	365.409	2.280	10	10	FECE	
C[C@H](NC(=O)c1cc(I)nn1C)c1ccccc1O	1171730913	RHURWUUGKBEVAD-QMMMGPOBSA-N	371.178	2.221	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C[C@@H]2OCC[C@H]21	2124503009	GFUNHQIYNZQKEU-MQYQWHSLSA-N	365.434	2.455	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2124507924	DBBASMWZMHJCJC-RDBSUJKOSA-N	367.450	2.465	10	10	FECE	
Cc1cc(CC(=O)N2CCN(C3CN(C)C3)CC2)c(C)n1-c1ccccc1	1348304246	CLDTXRQKSNEZMA-UHFFFAOYSA-N	366.509	2.095	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@H]1CNC(=O)COc1ccc(N)cc1	1905991815	NYSUTIXKPBIIAT-APHBMKBZSA-N	361.442	2.019	10	10	FECE	
CC(C)NC(=O)c1nnc(N(C)C2CC2)n1Cc1ccc(N(C)C)c(F)c1	1360163941	NVQZAWVFTYGQRH-UHFFFAOYSA-N	374.464	2.268	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)C3(C(C)C)COC3)cc2F)CC1	1456130574	PMITWGPUPJYNED-UHFFFAOYSA-N	363.477	2.256	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(-n3nnnc3C)cc2F)c1	1545684355	SWOUVYIEIHGLBP-SNVBAGLBSA-N	371.372	2.315	10	10	FECE	
Cc1cc(CC(=O)Nn2c(O)nnc2O)c(C)n1-c1ccc(Cl)cc1	1556825335	UZHKJJSNIVWTTL-UHFFFAOYSA-N	361.789	2.063	10	10	FECE	
C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@]12CCCC[C@H]1C2	1643545461	HJFZMZHOHATOAD-NVGCLXPQSA-N	352.456	2.462	10	10	FECE	
C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)CN(C)C(=O)OC(C)(C)C	1586344751	OUTUYDQPSPBUCJ-GFCCVEGCSA-N	352.431	2.260	10	10	FECE	
Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1cccc(O)c1O	1586077622	VVOCFLNYNQFRKY-UHFFFAOYSA-N	356.378	2.131	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](NC(=O)NCc2cc(Cl)ccc2O)CO1	1685521911	PTNSPDSXHYNMJH-LBPRGKRZSA-N	371.821	2.396	10	10	FECE	
CCOC(=O)c1ccccc1NC(=O)CN1C(=O)[C@@H](CC)SC1=S	11635706	KRWPPULFSIAPMC-GFCCVEGCSA-N	366.464	2.441	10	10	FECE	
COC(=O)c1ccccc1NC(=O)CCCN1C(=O)[C@H](C)SC1=S	11636131	YTFWFURRKXRWAK-JTQLQIEISA-N	366.464	2.441	10	10	FECE	
Cc1cccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H]2CCCO2)c1O	2139762319	QNJUZTZUKYXLCH-LSDHHAIUSA-N	364.442	2.389	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H]2CO[C@H](C)CN2C(=O)OC(C)(C)C)c1O	2139765599	XNLGLBTVRJHRPL-HIFRSBDPSA-N	364.442	2.341	10	10	FECE	
CCOc1cccc(CNCC(=O)Nc2ccccc2C(=O)OC)c1O	1860718403	PXVIEMJLBYKAGX-UHFFFAOYSA-N	358.394	2.306	10	10	FECE	
Cc1c(OCC(=O)NC2CCCC2)c(=O)ccn1Cc1ccc(N)cc1	1857920277	WTMWTBOUUJNDLZ-UHFFFAOYSA-N	355.438	2.225	10	10	FECE	
Cn1nc(Br)cc1S(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2155559082	UZAIZQRJFHKXRV-MRVPVSSYSA-N	363.241	2.036	10	10	FECE	
C[C@@H]1C[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)CN1Cc1ccccc1	398222167	SUYXTBVNOJBEAH-DNVCBOLYSA-N	359.495	2.351	10	10	FECE	
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1ccc(CN)c(Br)c1F	2170629428	DWCLBLHDEVHUHF-IUCAKERBSA-N	367.284	2.305	10	10	FECE	
CC(C)(C)OC(=O)N1CCn2ncc(C(=O)NCc3ccccc3O)c2C1	1150108953	XKQTXAFVGZSNDA-UHFFFAOYSA-N	372.425	2.269	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC[C@H](N=[N+]=[N-])C2)C[C@@H]2OCC[C@H]21	2060611363	SEEQSDPFCASNBA-RNJOBUHISA-N	351.407	2.065	10	10	FECE	
C[C@H]1C[C@@H]1NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2080869785	QWODPQCDWJCUTC-DRZSPHRISA-N	350.415	2.058	10	10	FECE	
CN(C)c1ccc([C@@H](O)Cn2cc(CNC(=O)OC(C)(C)C)nn2)cc1	2106790642	KJDSVDMSKVHKCB-INIZCTEOSA-N	361.446	2.102	10	10	FECE	
CC(C)(C)OC(=O)NCCc1n[nH]cc1C(=O)N(CCO)c1ccccc1	2235299063	MDSWNNJLUKUBCC-UHFFFAOYSA-N	374.441	2.116	10	10	FECE	
C[C@H]1N(C(=O)OC(C)(C)C)C[C@]1(NCc1ccc2c(c1)CCO2)C(=O)O	2349083033	WHBPBTUWFKPIIC-CWTRNNRKSA-N	362.426	2.174	10	10	FECE	
C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1N1CCOCC1	175683498	KOEIUWWERLGCFF-PXNSSMCTSA-N	372.513	2.149	10	10	FECE	
NC(=O)c1ccccc1NC1=NC(=O)/C(=C/c2ccc(O)c(O)c2)S1	39869817	KYMJCEFFYOWHEL-ZSOIEALJSA-N	355.375	2.279	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN[C@H]2CCO[C@@H]2c2ccccc2)cc1	191956836	UTUJDBMDDFARFN-PZJWPPBQSA-N	353.466	2.489	10	10	FECE	
Cn1cc2c(n1)CCC[C@H]2NC(=O)NCc1ccc(N2CCOCC2)cc1	282527952	VCVSAGLHAAKOMF-GOSISDBHSA-N	369.469	2.134	10	10	FECE	
Cc1ccc(CNC(=O)[C@](C)(N)C(F)(F)F)c(O)c1Br	2381136909	JVYOHSIPZDDQTM-NSHDSACASA-N	355.154	2.359	10	10	FECE	
CCN(CC)c1ccc(CN[C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1	800308812	AWBBYPPSGRVUTF-AEFFLSMTSA-N	353.532	2.340	10	10	FECE	
C[C@@H]1Oc2ccc(C(=O)O)cc2N(OCCOc2ccc(N)cc2)C1=O	821299509	LHXYBSKRQFGTJM-NSHDSACASA-N	358.350	2.092	10	10	FECE	
CC(=O)C(=O)COC(=O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2	829505624	OFNPOKRUFSXLNJ-UHFFFAOYSA-N	364.760	2.468	10	10	FECE	
CCC[C@H](NC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2)C(N)=O	583582166	WSSPNTKISGBCRW-KRWDZBQOSA-N	370.497	2.178	10	10	FECE	
CCOc1ccncc1S(=O)(=O)N[C@@H](C)c1cc(OC)ccc1O	830623385	NKNXLDYMPKFTAQ-NSHDSACASA-N	352.412	2.234	10	10	FECE	
CN(C)C(=O)CCN1CCC(NC/C=C\c2ccc(N(C)C)cc2)CC1	835036688	KWFXTERKWZFUOW-WAYWQWQTSA-N	358.530	2.298	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)Cc3ccco3)cc2)CC1	832794055	HTCXKPXTVVDETF-INIZCTEOSA-N	369.465	2.443	10	10	FECE	
COc1cccc(CNC(=O)NCCc2cccc3c2OCCO3)c1O	927549508	MLCWXCKORFMZPB-UHFFFAOYSA-N	358.394	2.214	10	10	FECE	
COc1ccc(N2CC[C@@H](NC3CCN(c4cnccn4)CC3)C2)cc1	850488890	PAOLDRIWSRQCML-QGZVFWFLSA-N	353.470	2.323	10	10	FECE	
CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)cc1	852791941	NSBQYDWUUKEJJW-VAMGGRTRSA-N	369.465	2.025	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3nc(C)c(C)s3)C2)cc1	850537209	ODIBVJGVLWNUKW-ZDUSSCGKSA-N	374.466	2.102	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3cc(C)cc(C)n3)C2)cc1	850536858	KJJNYYQWYIGOMS-OAHLLOKOSA-N	368.437	2.041	10	10	FECE	
COCCN(CC(=O)N1Cc2cccc(O)c2C1)C(=O)OC(C)(C)C	871202642	KBFJDIFXVJCESZ-UHFFFAOYSA-N	350.415	2.118	10	10	FECE	
C[C@H]1CN(c2ccc(CNC[C@@H](O)CC(C)(C)O)cc2F)C[C@@H](C)O1	872201102	OCQJRBLQMCCZQE-LZWOXQAQSA-N	354.466	2.051	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@]12CCC(=O)N1CCS2	1135800901	UYCWZDDJPYAFDL-IBGZPJMESA-N	359.495	2.311	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1	1137520361	DCJPHMVZJOQSNA-SJORKVTESA-N	373.457	2.347	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc2ccccn2c1=O	1087075806	DEABKXAEHDNJKY-UHFFFAOYSA-N	350.422	2.423	10	10	FECE	
CC(C)(C)OC(=O)NCC1CC(F)(CNC(=O)c2cccc(O)c2O)C1	2118176286	QCORCPJTGDJEIK-UHFFFAOYSA-N	368.405	2.471	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H]1OCC[C@H]1CNC(=O)OC(C)(C)C	2124031679	UGLCYLWRVKUXDD-XJKSGUPXSA-N	364.442	2.280	10	10	FECE	
CN1CCc2cc(CN=c3[nH]ccnc3I)ccc21	2121641279	DBUNEMZPTCJNCS-UHFFFAOYSA-N	366.206	2.108	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CCS1	1341095094	URVMTIKDELUCPX-HOCLYGCPSA-N	359.495	2.079	10	10	FECE	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(CO)nc2)cc1	1442610351	GWIJQMPJOHBVFD-FQEVSTJZSA-N	369.465	2.461	10	10	FECE	
O=C(Cc1ccnc(F)c1)NCc1ccc(N2CCC(O)CC2)c(F)c1	1293976356	MOELJRJDTZZMHB-UHFFFAOYSA-N	361.392	2.180	10	10	FECE	
CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(O)cc2O)cc1OC	1299571557	YZADKRROVFHHPT-UHFFFAOYSA-N	362.338	2.343	10	10	FECE	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc(=O)cc[nH]1	1465951588	OIWDAZXALXCAHH-AWEZNQCLSA-N	361.829	2.128	10	10	FECE	
COc1cc([C@@H](C)NC(=O)c2cccc(O)c2O)ccc1S(C)(=O)=O	1472398946	FXKFSCKCNODNHW-SNVBAGLBSA-N	365.407	2.001	10	10	FECE	
COc1ccc(O)c(CNC[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)c1	2136618410	WWFIEQBNLIEXQO-LJQANCHMSA-N	366.458	2.252	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CCN(CCc2ccccc2)C1	1565601638	XABHDBYHXQKJRB-GOSISDBHSA-N	354.450	2.321	10	10	FECE	
CCCCC[C@@H](O)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1	1586630257	IJHDRGNBZUJDQX-QGZVFWFLSA-N	350.459	2.294	10	10	FECE	
CN(C)c1ccc(CN2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)cc1	1655052835	ZSGCQWMTMCUVEK-ZIAGYGMSSA-N	350.406	2.160	10	10	FECE	
C[C@@H](O)c1ccc(N2CC[C@@H](CS(C)(=O)=O)C2)cc1Br	2143670632	FJALHQIXSVSFJH-GHMZBOCLSA-N	362.289	2.373	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1cncs1)C(=O)N1CC(N=[N+]=[N-])C1	2010389740	UJHLYXPCTIKTJD-LLVKDONJSA-N	352.420	2.100	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060636668	ALQKFMMRGRTBHY-UPJWGTAASA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NCc2ccc(F)cc2O)C1	2084176498	QYLKVNFKFXQBRZ-HIFRSBDPSA-N	354.422	2.239	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)NCc1cccc(CO)c1	2298153382	LZIFPNIYXHDDEU-UHFFFAOYSA-N	352.434	2.345	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(NCc3ccc(O)cc3O)CO[C@H]1C2	2312832113	IZQOKFQZLCSCRS-QIIPPGSGSA-N	350.415	2.012	10	10	FECE	
COc1ccc(CN[C@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(O)c1	2330887330	DSFZPDCQASALAD-HLLBOEOZSA-N	364.442	2.125	10	10	FECE	
Cc1cccc(N2C(=O)NC(=O)/C(=C\NCc3ccc(F)cc3)C2=O)c1	100144964	MQVSKAFAEPYZOV-LFIBNONCSA-N	353.353	2.391	10	10	FECE	
COCCN(Cc1nsc(N(C)C)n1)c1ccc(OC)c(OC)c1	126352048	NOYFQSHVCFQCOE-UHFFFAOYSA-N	352.460	2.274	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3ccc4c(c3)OCO4)cc2)CC1	49740658	JPFIEUIVHXZLDG-UHFFFAOYSA-N	353.422	2.097	10	10	FECE	
C[C@H]1CN([C@@H](CNC(=O)c2cccc(O)c2O)c2cccs2)CCO1	193127015	RPCUGRCLTGZIRH-JSGCOSHPSA-N	362.451	2.351	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N1CC[C@](O)(C(F)(F)F)C1	255106189	BSWGBJCXJQLEGU-GPCFVJJQSA-N	370.371	2.062	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1	362466515	PGUJZSIHUBPROL-SXLOBPIMSA-N	357.498	2.402	10	10	FECE	
C[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1(S(C)(=O)=O)CC1	805308233	CSDQBYMXJFARGJ-OLZOCXBDSA-N	353.488	2.079	10	10	FECE	
C[C@H](O)[C@H](NCc1ccc(N(C)C)c(F)c1)C(=O)OCc1ccccc1	816626562	NGJZKSPZLONOEX-LIRRHRJNSA-N	360.429	2.474	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3CC[C@@]4(CCCNC4)C3)C2)cc1	818655980	SVKXHKYBZYGZAW-LAUBAEHRSA-N	372.513	2.307	10	10	FECE	
O=C(C[C@H](O)Cc1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1	813416373	PBYOQSYFOAYGDD-GOSISDBHSA-N	372.440	2.272	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)NCc3ccc(C)cc3)C2)cc1	826627650	QUOPSCGZTQACJL-KRWDZBQOSA-N	367.449	2.015	10	10	FECE	
CC1(CO)CN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1	838192728	SGMVSKZMPXEKAJ-UHFFFAOYSA-N	369.412	2.281	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)[C@H]1CCN2CCO[C@H]1C2	840485569	UTBPTMPMXNTKKI-VDGAXYAQSA-N	374.529	2.107	10	10	FECE	
Cc1cc(CC(=O)N[C@@H]2CCc3nnnn3CC2)c(C)n1-c1ccccc1	854970317	RQFWKCAHLPIPKV-QGZVFWFLSA-N	364.453	2.144	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN4CCCC[C@H]34)C2)cc1	852060836	YIOJPQRFZMSAHW-KFKAGJAMSA-N	358.486	2.200	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc4nc(O)n(C)c4c3)C2)cc1	855234402	ZDMOZZIRTRIUSX-CQSZACIVSA-N	366.421	2.296	10	10	FECE	
Cc1cncc(CCNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1	852012213	GKZAIKIEWVGZHU-INIZCTEOSA-N	369.469	2.225	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCc4c3cnn4C)C2)cc1	851988433	NDGVRGHSZPIGCN-KSSFIOAISA-N	369.469	2.384	10	10	FECE	
CN1C(=O)CN(C(=O)/C=C/c2cnn(C)c2)c2ccc(C(F)(F)F)cc21	1134587055	YBSTYHZPLFOTAT-ZZXKWVIFSA-N	364.327	2.462	10	10	FECE	
COC(=O)c1c(CNC[C@H](O)COCC(C)C)c2cc(F)ccc2n1C	894202831	MOAVBSUWUHVACX-AWEZNQCLSA-N	366.433	2.227	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCN(C[C@H](C)O)C[C@@H]2C)c1	793586133	GCJFXPWLOMTDNB-STQMWFEESA-N	357.292	2.350	10	10	FECE	
Cc1sc2ncn(CCC(=O)NCc3cc(O)ccc3O)c(=O)c2c1C	1153879174	IDACZAYDDJKIOS-UHFFFAOYSA-N	373.434	2.193	10	10	FECE	
CCN1C[C@H](C)N(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C[C@@H]1C	1313211789	KPZCAJDUXYFTPV-ROUUACIJSA-N	373.545	2.063	10	10	FECE	
CCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1ccccc1O	2124164899	CQJBMOFZFAYDSS-HOCLYGCPSA-N	364.442	2.280	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCC[C@@H]2CN=[N+]=[N-])CC1	2124540341	GLRKJFBOOKVPSG-CYBMUJFWSA-N	367.450	2.440	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)CC3(C)COC3)cc2F)C[C@H](C)O1	1334855007	LNGJJILTGGNJPU-KBPBESRZSA-N	350.434	2.482	10	10	FECE	
CN1CCN(c2ccccc2CNC(=O)NCc2c(O)cccc2F)CC1	1335138717	YRFSCPDXOQAXRU-UHFFFAOYSA-N	372.444	2.283	10	10	FECE	
O=C(NCCC1CC=CC1)C(=O)NCc1ccc(N2CCSCC2)cc1	1334574119	QROVBCUFNMZQFU-UHFFFAOYSA-N	373.522	2.329	10	10	FECE	
C[C@@]1(C(=O)NCc2cccc(O)c2O)CCCN1C(=O)c1ccccc1	1349076945	AUYKEVNXZDTVGG-FQEVSTJZSA-N	354.406	2.409	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1	2132412298	BVAVMQKNUFXSNY-ZYHUDNBSSA-N	366.414	2.036	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1	1503488788	YQEWPENLKWNYRJ-JKSUJKDBSA-N	374.485	2.458	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@](C)(O)c3ccc(F)cc3)CC2)cc1	1445749719	XPLYLNPDIPNKJU-FQEVSTJZSA-N	358.413	2.391	10	10	FECE	
C[C@H](NC(=O)c1cc(S(C)(=O)=O)ncc1Cl)c1ccccc1O	1635803449	FTXLSGZVOHGQAS-VIFPVBQESA-N	354.815	2.335	10	10	FECE	
COc1ccc([C@]2(C(=O)NCc3ccc(N(C)C)cc3)C[C@H](O)C2)cc1	1587316362	FLXHKYBQKXNSHI-XGAFWQRZSA-N	354.450	2.470	10	10	FECE	
COc1ccc(N2CCN(c3nc(Cl)nc4[nH]c(O)nc34)CC2)cc1	1655258908	WDWBZWYMGFFKEF-UHFFFAOYSA-N	360.805	2.047	10	10	FECE	
Cc1cc(S(N)(=O)=O)cc(C(=O)NCc2cccc(Cl)c2O)c1C	1653566974	HXJAVABIYCDIHS-UHFFFAOYSA-N	368.842	2.240	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3CS[C@@H](C)C3)CC2)c(OC)c1	1673624067	DNNIGWCWWGCOPI-KBPBESRZSA-N	365.499	2.429	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@@H](CNCc2ccc(O)cc2O)CO1	2041186284	BSJGDCXTIVASKW-SWLSCSKDSA-N	352.431	2.117	10	10	FECE	
CN1CCc2cc(CNC[C@H]3CN(C(=O)OC(C)(C)C)CCO3)ccc21	397110939	CBVRZTUZBIWLSC-KRWDZBQOSA-N	361.486	2.404	10	10	FECE	
O=C(c1cccc(O)c1O)N1C[C@H](CNC(=O)C(F)(F)F)C2(CCC2)C1	2174805185	QGHSDARSSYTCPZ-JTQLQIEISA-N	372.343	2.019	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1CN=[N+]=[N-])[C@H]1CCOC1	2060621512	OLFSFOJNOKCKKD-AVGNSLFASA-N	353.423	2.218	10	10	FECE	
COCC1(NCc2cc(F)cc(F)c2O)CN(C(=O)OC(C)(C)C)C1	2070570912	JKNDOPJYTRBQOC-UHFFFAOYSA-N	358.385	2.396	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CC[C@@H](N)c3ccccc32)=C[C@H]1O	2201006742	PVSGOQGGVMZZRT-BFYDXBDKSA-N	373.453	2.007	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@]12CCCO[C@@H]1CN(C(=O)OC(C)(C)C)C2	2221344027	YOKQXLDIBYYTRJ-WBMJQRKESA-N	353.423	2.171	10	10	FECE	
C[C@@H]1CN(Cc2cc(N)ccc2O)CC2(CN(C(=O)OC(C)(C)C)C2)O1	2272818891	VOTPMUXRYLPLSS-CYBMUJFWSA-N	363.458	2.185	10	10	FECE	
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1O	2297342265	SKTAGVOLVHXDAP-UHFFFAOYSA-N	368.345	2.163	10	10	FECE	
O=C(O)CCNC1=NC(=O)/C(=C/c2cccc(Br)c2)S1	6888777	HSIKXCUCSPPSKC-YFHOEESVSA-N	355.213	2.484	10	10	FECE	
C[C@@H](OCC(F)(F)F)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	55524254	XKMJUXBSCDBWHD-LLVKDONJSA-N	364.339	2.246	10	10	FECE	
Oc1cc2c(cc1CNCCN1CCN(Cc3ccccc3)CC1)OCO2	238126903	HAPBBEZMZRHQHN-UHFFFAOYSA-N	369.465	2.028	10	10	FECE	
C[C@H]1Oc2ccc([N+](=O)[O-])nc2N(CCCOc2ccc(N)cc2)C1=O	75259533	HHCAOVJNPFPOIQ-LLVKDONJSA-N	358.354	2.155	10	10	FECE	
CCN1CCN(c2ccc(C(=O)NCc3ccc(O)c(O)c3)cc2)CC1	182511924	OZPOBYAYBCKETN-UHFFFAOYSA-N	355.438	2.170	10	10	FECE	
COc1ccc(N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)cc1	77902785	CHSWRQUTTPWYBK-UHFFFAOYSA-N	350.426	2.306	10	10	FECE	
COCCN1[C@@H](C)CN(C(=O)NCCCSc2nccs2)C[C@@H]1C	130864174	CTURHYWZQMIAQW-KBPBESRZSA-N	372.560	2.376	10	10	FECE	
COc1ccc(CN(C)CCNS(=O)(=O)c2ccc(C)cc2)c(O)c1	93685942	PCDPGOXMHIPNHF-UHFFFAOYSA-N	364.467	2.120	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CNC2CCN(C(=O)C(C)C)CC2)c1O	278945994	YPLGPEBMRZXDMH-UHFFFAOYSA-N	351.403	2.046	10	10	FECE	
COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1cc(OC)ccc1O	802782071	NJYXAWSSXWVQMB-FZMZJTMJSA-N	368.430	2.118	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1	808522412	TVJRGOHHXGXNFD-OAHLLOKOSA-N	374.220	2.068	10	10	FECE	
CC(C)c1noc([C@@H](C)N2CCN(C(=O)Cc3ccc(N)cc3)CC2)n1	829199332	MHXAJZDUPSPRFB-CQSZACIVSA-N	357.458	2.223	10	10	FECE	
C[C@@]12CCC(=O)N1[C@H](C(=O)NCCCSc1nccs1)CS2	733878785	HIGFGCZVJQDGPA-IINYFYTJSA-N	357.526	2.196	10	10	FECE	
NC(=O)c1ccc(N2CCN(Cc3cc4c(cc3O)CCC4)CC2)cc1	735486304	YOSTUBAAZXJYNP-UHFFFAOYSA-N	351.450	2.302	10	10	FECE	
CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)NCCc2ccc(N)cc2)CC1	841957081	NEZGVKJYVPLLRI-OAHLLOKOSA-N	360.502	2.394	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1CNc2ccccc2C1	846137149	AHTUVMSACWDCJV-GOSISDBHSA-N	366.465	2.359	10	10	FECE	
CCCNC(=O)CN1CCC(NCc2c(O)cc(C)cc2Cl)CC1	840875197	FMBIQPRTSQHQFG-UHFFFAOYSA-N	353.894	2.434	10	10	FECE	
Nc1ccc(Cc2nc(C(=O)OC[C@@H]3CCC4(COC4)O3)cs2)cc1	922603685	SWWGLYUNQLTWPL-AWEZNQCLSA-N	360.435	2.421	10	10	FECE	
O=S1(=O)C[C@H](CNCc2c(O)cccc2Cl)Oc2ccccc21	842723132	XTOMRDJSYRRGTM-NSHDSACASA-N	353.827	2.370	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H](O)Cc3cccc(OC)c3)C2)cc1	855224178	FLWOFXDGXSCOBN-OXJNMPFZSA-N	370.449	2.002	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCC([C@@H](C)CO)CC3)C2)cc1	854297324	PRXMJJVSOLFTRX-RDJZCZTQSA-N	361.486	2.324	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@H](c4nccn4C)C3)C2)cc1	852455234	SXUYVUSCSZBWCM-HZPDHXFCSA-N	369.469	2.207	10	10	FECE	
CCO[C@H]1C[C@H](NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)C1	852520516	FQLJGXUKGZMTNA-CTYIDZIISA-N	351.422	2.233	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)NC(=O)CC(C)(C)C)C2)cc1	855228250	YFWPPQSDNATEIT-LSDHHAIUSA-N	361.486	2.331	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCO[C@H]([C@H]3CCCO3)C2)c([N+](=O)[O-])c1	756972106	CNAIVRAFPHZDKC-DBZNTZSBSA-N	362.382	2.165	10	10	FECE	
CCN(C)c1ccc([C@@H](C)NC[C@@]2(CO)COCC3(CCC3)N2C)cc1	858465301	CHDSYVKGGJQFJU-DYESRHJHSA-N	361.530	2.409	10	10	FECE	
O=C(NCc1c(O)cccc1F)[C@H](C[C@@H]1COCCO1)C(F)(F)F	928713062	ZRYFXBWBSJSRLR-KOLCDFICSA-N	351.296	2.132	10	10	FECE	
CCN(CC)c1ccc(CN[C@H]2CCN(c3ccc4nncn4n3)C2)cc1	858244835	IYPWUQFCORGKKE-KRWDZBQOSA-N	365.485	2.339	10	10	FECE	
CCN(CC)c1ccc(CN2CCC(N3C(=O)O[C@H]4CNC[C@H]43)CC2)cc1	863642844	YSYSTFPQNQPCKI-UXHICEINSA-N	372.513	2.290	10	10	FECE	
C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CC(F)(F)C1	862279093	LRMDPFIHWZCWFR-ZDUSSCGKSA-N	358.454	2.445	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)CN3CCO[C@@H](CC(N)=O)C3)c2C)c1	860012187	GSVKSXROPPLGPH-SFHVURJKSA-N	369.465	2.161	10	10	FECE	
CCN(CC)c1ccc(CN2[C@H]3CC[C@H]2[C@@H](C(=O)OC)[C@@H]3C(=O)OC)cc1	770377304	ZZJNWWZKEBJRHF-INDMIFKZSA-N	374.481	2.458	10	10	FECE	
CO[C@H](C)[C@H](C)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	786147938	UQCYNLCSRUDAAU-DLBZAZTESA-N	374.529	2.441	10	10	FECE	
Cc1nc[nH]c1CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	1136310997	CMIPVSAKEQBJGV-BETUJISGSA-N	360.433	2.330	10	10	FECE	
CC(C)c1nnc(N(C)Cc2ccccc2O)n1C[C@]1(O)CCO[C@H]1C	1302579488	OWZGWSZAQJASIL-IFXJQAMLSA-N	360.458	2.283	10	10	FECE	
C[C@H]1[C@H](C(=O)NCc2c(O)cccc2O)CCN1C(=O)OC(C)(C)C	1178912262	RJHUMQFCXIUVGK-NWDGAFQWSA-N	350.415	2.360	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(F)s1	1331156314	QYHNZCXXFHILDF-JTQLQIEISA-N	353.371	2.203	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(CO)(CNCc2ccc(O)c(O)c2)CC1	2131719850	IQOTWKUSYSTWSK-UHFFFAOYSA-N	366.458	2.197	10	10	FECE	
CC(C)[C@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1	1341061075	XMBDCSSATUUFKK-AEFFLSMTSA-N	373.497	2.205	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)NCC(C)(C)C3CC3)CC2)cc1	1351141812	NQMRELXTUMWFHO-UHFFFAOYSA-N	373.497	2.333	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nn1cccc1	2136254384	WQCBJMNANZAZHN-ZDUSSCGKSA-N	361.398	2.105	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCC1	1707305175	RYHCFPVITIKEMU-KRWDZBQOSA-N	368.485	2.252	10	10	FECE	
C[C@@H](NC(=O)c1cc(I)nn1C)c1ccccc1O	1471196029	RHURWUUGKBEVAD-MRVPVSSYSA-N	371.178	2.221	10	10	FECE	
CCCN[C@@H](c1ccccc1O)[C@](O)(CNC(=O)OC(C)(C)C)COC	1921014202	UXAUVTKWUWZZEF-LPHOPBHVSA-N	368.474	2.335	10	10	FECE	
COc1ccc(N2CCC(NC(=O)Cc3ccc(O)c(O)c3)CC2)cc1	1626479333	GSOTWRDGBCLYSV-UHFFFAOYSA-N	356.422	2.434	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2cccc(Nc3nn[nH]n3)c2)cc1F	1627045860	GSLFCCVATVTNMB-UHFFFAOYSA-N	355.377	2.078	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CCCC2)n1Cc1nncn1C	1711095265	GRVSWGXKHOQZAO-UHFFFAOYSA-N	367.457	2.455	10	10	FECE	
CSc1ncc(C(=O)NCc2cccc(Br)c2O)c(O)n1	1634725600	ZHPJSZKGLBAOOM-UHFFFAOYSA-N	370.228	2.302	10	10	FECE	
Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(O)c(O)c3)CC2=O)cc1C	1595596001	OMJKWOKWXPCUGI-HNNXBMFYSA-N	354.406	2.384	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNC(=O)c3cccc(O)c3O)C[C@@H]21	2140674763	IEYUWMCRXBDEOV-BZPMIXESSA-N	362.426	2.473	10	10	FECE	
CC[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CCN1CCOC	155703500	USRFRSGKQSNUGH-IBGZPJMESA-N	372.513	2.315	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCOC1	1964874342	QUZUAMPGXVCXFQ-HOCLYGCPSA-N	364.442	2.280	10	10	FECE	
Nc1cc2c(cc1N1C[C@H]3CCN(Cc4ccccc4)[C@H]3C1)NC(=O)CO2	2188877938	KQCBKOPGNRJTTG-BEFAXECRSA-N	364.449	2.310	10	10	FECE	
CN(C)CCN(CC(=O)N1CCC[C@H]1CN=[N+]=[N-])C(=O)OC(C)(C)C	2060616168	XKBFHFWLXRGFRA-ZDUSSCGKSA-N	354.455	2.086	10	10	FECE	
CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2060633845	RXZIHSRGDNYQME-MQIPJXDCSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](CCF)(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1	2082287672	GSRXCAPWBSAKDK-LXIYXOSZSA-N	356.438	2.239	10	10	FECE	
C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCN1c1cc2c(cc1N)OCC(=O)N2	2106713893	XLQQGRBSRGILDG-ZYHUDNBSSA-N	362.430	2.092	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-]	2253549380	ZYMJOPWRUWRNFN-MROQNXINSA-N	353.423	2.094	10	10	FECE	
CC(C)(C)OC(=O)N1CC(OCCCNCc2ccc(O)cc2O)C1	2315571761	MIOANFXLKAVVSF-UHFFFAOYSA-N	352.431	2.213	10	10	FECE	
CCC(=O)Nc1ccccc1N/C=C1/C(=O)N=C(S)N(C2CC2)C1=O	103126766	DFTVTSFHKUGSQB-LUAWRHEFSA-N	358.423	2.148	10	10	FECE	
COc1ccc(O)c(CNC(=O)C2CCN(C(=O)c3ccoc3)CC2)c1	114543081	DPJTYOUZJUKYSK-UHFFFAOYSA-N	358.394	2.162	10	10	FECE	
O=S(=O)(c1cccc(F)c1)N1CCN(Cc2cc(F)ccc2O)CC1	179883388	ITSRKPJGSJKHQO-UHFFFAOYSA-N	368.405	2.177	10	10	FECE	
Cc1ccc(C(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)c(O)c1O	182466174	DZDMQTLZIAUDGW-UHFFFAOYSA-N	372.425	2.015	10	10	FECE	
COc1ccc(N2CCN(c3ccc(C(=O)NCC(C)C)nn3)CC2)cc1	243431208	MZHVWKKEIHXPRL-UHFFFAOYSA-N	369.469	2.198	10	10	FECE	
COc1ccc(N2CCN(c3nccc(NC[C@H]4CCCO4)n3)CC2)cc1	242927261	GXHDSVUYCLASCO-GOSISDBHSA-N	369.469	2.403	10	10	FECE	
COc1cc(O)c(CN2CCC(C)(N3CCOCC3)CC2)cc1OC	529661681	BEBJKAHBOMYOLA-UHFFFAOYSA-N	350.459	2.096	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3CCOC[C@H]3C)CC2)cc1F	277454771	LAEUSEGYGYMCSP-CZUORRHYSA-N	351.422	2.091	10	10	FECE	
COc1ccc(N2CCCN(C(=O)CO[C@@H](C)c3nccn3C)CC2)cc1	376314074	ADDAOCYVPKPQKC-INIZCTEOSA-N	372.469	2.245	10	10	FECE	
O=C(NCCCO[C@H]1CCOC1)NCc1cc(Br)ccc1O	805196186	PFDIBYCSBWZBAV-ZDUSSCGKSA-N	373.247	2.150	10	10	FECE	
Nc1ccc(OCCC(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)cc1	2162517798	JBEQKXRBMURKHA-ZDUSSCGKSA-N	373.375	2.097	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)c3ccc(CN(C)C)nc3)C2)cc1	819592021	ZWTOSAYWNZBDLL-INIZCTEOSA-N	368.481	2.408	10	10	FECE	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C12CCN(CC1)C2	900509271	RWKMHFRTWBDVML-UHFFFAOYSA-N	365.424	2.469	10	10	FECE	
O=C(Cc1ccccc1C(=O)O)NCc1ccc(N2CCC(O)CC2)cc1	902081040	PUXCBIDLIKAZCL-UHFFFAOYSA-N	368.433	2.205	10	10	FECE	
C[C@H](NC(=O)N1C[C@H](O)C[C@H]1[C@H]1CCCOC1)c1ccc(N(C)C)cc1	838559166	KSXJBHASKSESQL-WQCNXYOZSA-N	361.486	2.385	10	10	FECE	
C[C@@H](NC(=O)c1cnn(C2CC2)c1N)c1ccc(N2CCOCC2)cc1	906420531	SWHUBRIUYMSPDS-CYBMUJFWSA-N	355.442	2.128	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(C(=O)O)CCOCC1	831068259	ORWRSKYRKWRIII-UHFFFAOYSA-N	363.458	2.166	10	10	FECE	
CN(C)c1ccc(/C=C/CN[C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc1	835049843	MQEPHXSDLXAYHI-OZZQIWQLSA-N	351.516	2.073	10	10	FECE	
Cn1nccc1[C@H]1CCCN1C(=O)NCc1ccc(N2CCOCC2)cc1	914335408	FDDIORDZJAWDEV-LJQANCHMSA-N	369.469	2.303	10	10	FECE	
Cc1cc(CC(=O)NC[C@H](CO)[C@@H]2CCOC2)c(C)n1-c1ccccc1	846985915	FZYWWXDFEUYBRD-IEBWSBKVSA-N	356.466	2.398	10	10	FECE	
Cc1cc(CCNC(=O)[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1	746424350	LYIKYUIYYRKRNX-QGZVFWFLSA-N	360.479	2.188	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@]12C[C@H]1COC2(C)C	849926072	AJEQRJJWKCGMKO-YWZLYKJASA-N	360.454	2.069	10	10	FECE	
C[C@@H]1CC[C@@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CS1	848531164	ODRYUAMIZWILLN-GDBMZVCRSA-N	354.541	2.295	10	10	FECE	
C[C@]1(c2cccc(F)c2)CCN(C(=O)C(=O)NCCc2ccc(N)cc2)C1	846345833	ZAFGUDAEDLMSLN-NRFANRHFSA-N	369.440	2.257	10	10	FECE	
C[C@@H]1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C[C@@H]1C(=O)O	849366165	OACZDFQVMBSXQL-RISCZKNCSA-N	359.451	2.499	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H]4CN(C)C[C@H]43)C2)cc1	854296403	CGHJSDXXDLWPAM-TXPKVOOTSA-N	358.486	2.010	10	10	FECE	
CC1(CNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCC1	752025443	WYBCHDXQTMJBSN-INIZCTEOSA-N	358.486	2.378	10	10	FECE	
CC[C@@H]1CN(CC)CCN1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	854297895	SVBFNRFRUFSEHQ-DLBZAZTESA-N	360.502	2.400	10	10	FECE	
Cc1cc(NC(=O)Cc2ccc(O)c(O)c2)ccc1N1CCN(C)CC1	1136044177	GHEWAVUFRDXDCM-UHFFFAOYSA-N	355.438	2.339	10	10	FECE	
CSc1ncc(CN[C@](C)(CNC(=O)OC(C)(C)C)C(=O)O)s1	1904258700	PNUVJAGCIIMICD-CQSZACIVSA-N	361.489	2.323	10	10	FECE	
O=C(NC[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1)c1ccccc1	1294530576	ANQCIQSRKNGZSI-MRXNPFEDSA-N	368.433	2.309	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@H]1CCCCN1C(=O)c1ccccc1	1558533254	APUZWXSJVGVJQV-MRXNPFEDSA-N	354.406	2.409	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)[C@H](O)c3ccccc3OC)CC2)cc1	1623429622	JTWSTFFRGFZFGC-HXUWFJFHSA-N	370.449	2.476	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CCNC(=O)c1ccsc1	1556516013	WHOGFZOQFPWIRH-UHFFFAOYSA-N	353.440	2.376	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1	1558175439	QHQLEUJCTZTILU-LLVKDONJSA-N	362.332	2.045	10	10	FECE	
COc1cccc(CNC(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1O	1565470984	YBXTVYIYDUDDMD-JOCQHMNTSA-N	365.430	2.256	10	10	FECE	
NS(=O)(=O)c1sccc1C(=O)NCc1c(O)ccc2ccccc12	1645443448	MXXYZUCEZXRLFH-UHFFFAOYSA-N	362.432	2.184	10	10	FECE	
COc1ccc(CNC[C@@H](C)CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1C	1666590070	YFQJRPMJHSRMMA-XPFKWROGSA-N	358.482	2.269	10	10	FECE	
CC[C@@H]1SC(=S)N(CCCCCC(=O)NC[C@@H]2CCCO2)C1=O	11636788	TUXNGPQSPBGCPL-STQMWFEESA-N	358.529	2.481	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)N(C)Cc2ccccc2O)N(C(=O)OC(C)(C)C)C1	1964874509	SOLOKVCHRVTSNH-CABCVRRESA-N	364.442	2.375	10	10	FECE	
C[C@@H](c1cc(Br)ccc1O)N(C)CCN(C)S(C)(=O)=O	2146942393	ANKABEJUALNQGL-JTQLQIEISA-N	365.293	2.039	10	10	FECE	
C[C@H](N[C@@H]1COCCN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1O	2034722626	ISNLAVZTWSTCPG-STQMWFEESA-N	352.431	2.384	10	10	FECE	
COC(=O)CN(Cc1ccccc1)C(=O)c1ccn(-c2ccc(N)cc2)n1	312065695	BLQPCHGBLFDGNO-UHFFFAOYSA-N	364.405	2.270	10	10	FECE	
CP1(=O)CCN(c2cc3c(cc2Br)[C@H](N)C(=O)N3)CC1	2171998264	SEDJMOKRNHAJRB-LBPRGKRZSA-N	358.176	2.214	10	10	FECE	
CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NCCOc2ccc(N)cc2)C1	2044679319	VKIQBKAJPUVMHJ-VWLOTQADSA-N	369.487	2.365	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCCN1S(=O)(=O)Cc1ccc(N)cc1	2044644961	WAJDAHACJAMKKW-HNNXBMFYSA-N	369.487	2.088	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C[C@H]2CCC[C@@H]21	2049783159	RTIPRQBTWOGJAB-ZSAUSMIDSA-N	350.459	2.430	10	10	FECE	
C[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1NC(=O)OC(C)(C)C	2054414942	QVCJMUKYMPGTQG-YPMHNXCESA-N	350.415	2.473	10	10	FECE	
CCON(C(=O)c1ccc(O)c(O)c1)C1CN(C(=O)OC(C)(C)C)C1	2054541915	QSAAJTJUGPGKPG-UHFFFAOYSA-N	352.387	2.111	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2cc3c(cc2N)OCC(=O)N3)C1	2106711724	KVQUEVYCAOVNQS-LLVKDONJSA-N	362.430	2.045	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)[C@@H](O)[C@H](C)CNC(=O)OC(C)(C)C	2106849865	BLRNKRJGZWJEAC-XWIAVFTESA-N	363.502	2.461	10	10	FECE	
CC(C)N(CCS(C)(=O)=O)c1ccc(CO)c(Br)c1	2113820482	ZHMUFBSNMDXTAX-UHFFFAOYSA-N	350.278	2.201	10	10	FECE	
C[C@]1(F)CN(S(=O)(=O)Cc2ccc(N)cc2)C[C@]1(C)Br	2205663434	GPVKYODTHJSLCY-STQMWFEESA-N	365.268	2.296	10	10	FECE	
COc1ccc(N2C[C@H]3[C@@H](CO)N(C(=O)OC(C)(C)C)C[C@H]3C2)c(F)c1	2227317246	UZUREEXQYSNNBJ-SUYBPPKGSA-N	366.433	2.498	10	10	FECE	
CC[C@@H](Oc1ccccc1C=C1SC(=S)N(CCO)C1=O)C(=O)O	2314928908	DRISYAGWWOKFFY-LLVKDONJSA-N	367.448	2.122	10	10	FECE	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H](C)NC(N)=O)cc1	110869252	IGKATIMYKQSZTC-CQSZACIVSA-N	370.453	2.351	10	10	FECE	
CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccc3c(c1)CCCN3C)CC2	114948546	MBJSXRDPCBICBX-MRXNPFEDSA-N	368.485	2.037	10	10	FECE	
CC(C)CN1C(=O)/C(=C\N[C@@H](C)c2ccc(F)cc2F)C(=O)NC1=S	60865411	XWFRCMLKPIJHFA-BNDQCTAISA-N	367.421	2.399	10	10	FECE	
CCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(C)C1=O	33450321	KYDNKDLXTDZKMG-XFFZJAGNSA-N	360.464	2.266	10	10	FECE	
C[C@H](Nc1cccc(C(=O)NCCC(N)=O)c1)c1ccc(F)c(F)c1O	187898763	BMMKUIMTCQXYIU-JTQLQIEISA-N	363.364	2.449	10	10	FECE	
CNC(=O)c1ccc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)nn1	74741845	DIYBUAJSQFBTMM-STQMWFEESA-N	373.432	2.201	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](CC)c3nccs3)nc12	185048231	WYUAZGWPTSWJLR-GFCCVEGCSA-N	361.427	2.309	10	10	FECE	
CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](C)c1cc(OC)ccc1O	87250683	BRLINYJVVMTWJB-RISCZKNCSA-N	359.430	2.450	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc4c(c3)CC(=O)N4C)CC2)cc1	49658864	MZRFVZLMPSIOSH-UHFFFAOYSA-N	365.433	2.177	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1cccc(O)n1	801640986	QWWPNBAUPILTPJ-UHFFFAOYSA-N	366.465	2.249	10	10	FECE	
CC(=O)N[C@@H](CC(C)C)C(=O)NCc1cc(Br)ccc1O	804735435	YXKRIXHUTXKCPC-ZDUSSCGKSA-N	357.248	2.322	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3ccc4nnn(C)c4c3)C2)cc1	819586661	AQOARIUJGAXQSO-CQSZACIVSA-N	365.437	2.233	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ncc(C(F)(F)F)s1	812959285	ZIVCGQRMGDLPFM-UHFFFAOYSA-N	359.329	2.465	10	10	FECE	
COc1ccc(N2CC[C@H](CNS(=O)(=O)c3ccc(C)o3)C2)cc1	819886676	AJLPDWYQVNCFGI-CQSZACIVSA-N	350.440	2.401	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)NC2CCN(C(=O)C(C)C)CC2)c1	728944307	UDXLTJRNXFSATP-ZDUSSCGKSA-N	363.458	2.408	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3C[C@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3)nc12	831005382	JWHJVJHCCHLSBB-MEGQDDJESA-N	368.437	2.256	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@]2(C)CNC(=O)C2)C1	839000820	FGXPMDRJEXCKQR-NRFANRHFSA-N	369.465	2.230	10	10	FECE	
COC(=O)[C@H]1CCN[C@H](c2cc(I)ccc2O)C1	1952446920	DIOGYJAYORJKIB-KWQFWETISA-N	361.179	2.211	10	10	FECE	
COc1ccc(O)c(CNc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)c1	848924315	PQTCCVXZXLHTSJ-LJQANCHMSA-N	355.394	2.410	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCN3C(=O)C(C)C)C2)cc1	855229063	HEVAQZWGTBBPGT-MAUKXSAKSA-N	359.470	2.037	10	10	FECE	
COC1CC(CCNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	851989790	LIQGRFPDIRFWGM-UHFFFAOYSA-N	365.449	2.277	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC(C)(C)c3nc(C)no3)C2)cc1	854298007	UNMBZOJSBZPMID-ZDUSSCGKSA-N	359.430	2.200	10	10	FECE	
CNCCCC(=O)N1CCC(NC/C=C/c2ccc(N(C)C)cc2)CC1	853248222	OPZRDRANJCBIAF-GQCTYLIASA-N	358.530	2.346	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)NCC[S@](=O)CC(F)(F)F	852462108	LXPKCHPJDOQCES-DEOSSOPVSA-N	365.421	2.171	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H](O)[C@@H]2CCCO2)c1	862652557	BIFOIDLLPJYCIA-MOPGFXCFSA-N	356.422	2.176	10	10	FECE	
CC[S@](C)(=O)=NS(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1	866430795	ZWINTTWHFPJMLY-QHCPKHFHSA-N	373.544	2.471	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)c1n[nH]cc1C(F)(F)F	864984553	WPGTYDVCEJTICG-UHFFFAOYSA-N	354.332	2.195	10	10	FECE	
c1cc(N2CCOCC2)ccc1CN1CCO[C@@H](c2noc(C3CC3)n2)C1	769244456	OLBXCVLXEXTFNV-GOSISDBHSA-N	370.453	2.357	10	10	FECE	
COC(=O)C1=CC[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1	863519702	AEXWLGVOSFKSGG-CYBMUJFWSA-N	364.785	2.072	10	10	FECE	
COc1cccc(CNC(=O)C(=O)Nc2cc(C)n([C@@H](C)C3CC3)n2)c1O	784713436	DVBAUEPLLIREFV-LBPRGKRZSA-N	372.425	2.132	10	10	FECE	
C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O	792532952	GBEOIJFZRANWFY-KWQFWETISA-N	366.361	2.177	10	10	FECE	
Cc1ccc(N2C(=O)/C(=C\N3CCOCC3)SC2=S)cc1[N+](=O)[O-]	1084119684	SQRCJBWGBIRQIY-UKTHLTGXSA-N	365.436	2.442	10	10	FECE	
COc1cccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2CO)c1O	2116265097	JDSQNZNBNRPQKF-HUUCEWRRSA-N	366.458	2.108	10	10	FECE	
CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(CCCCN=[N+]=[N-])C1	2117995063	ILJHTCYFLHHKHZ-CQSZACIVSA-N	368.482	2.430	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)N3CCC(N=[N+]=[N-])CC3)[C@@H]2C1	2124536564	RQNVUQBINZKZRX-MJBXVCDLSA-N	365.434	2.170	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2124516385	FASXTAZSYKAVHR-ZIAGYGMSSA-N	367.450	2.417	10	10	FECE	
Cc1c(I)nc[nH]c1=NCc1ccc(N(C)C)cc1	2121030161	NQLKCYKOKJOBBO-UHFFFAOYSA-N	368.222	2.490	10	10	FECE	
CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1O)OC	1513456550	RIEPESVFDPPXJV-INIZCTEOSA-N	370.457	2.446	10	10	FECE	
Cc1ccc(C(=O)N[C@H]2CC[C@@H](O)[C@@H](O)C2)cc1-n1c(C)cc(C=O)c1C	1520792404	XJOAMGLYOFUZKT-SXLOBPIMSA-N	370.449	2.219	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(n2cnnc2O)CC1	1467678778	XBIXWPKJEVPOCB-UHFFFAOYSA-N	360.395	2.087	10	10	FECE	
CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)C(=O)N(c2ccccc2)C1=O	3189294	UHQPSNKGXIHFOU-ZROIWOOFSA-N	350.330	2.424	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](CC)N1CCO[C@H](CC)C1	1568738055	YGOACBPRCLFGKK-CABCVRRESA-N	355.475	2.384	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCN2C2CCCC2)N(C)C)cc1	1648477842	GVZMIYYYNPYJIN-UXHICEINSA-N	358.530	2.488	10	10	FECE	
Cc1ccc(N2C[C@@H](C(=O)NCc3c(O)cccc3O)CC2=O)cc1C	1652622900	IVIYEWJMLFYSKD-AWEZNQCLSA-N	354.406	2.384	10	10	FECE	
O=C(NCc1cccc(O)c1O)C1(C(=O)Nc2c(F)cccc2F)CC1	1593744255	LZWBDFHFZSVKCD-UHFFFAOYSA-N	362.332	2.411	10	10	FECE	
COc1ccc(S(=O)(=O)CCC(=O)NCc2c(O)cccc2F)cc1	1596912524	NZMZGLJYKFJZNP-UHFFFAOYSA-N	367.398	2.020	10	10	FECE	
Cc1cccc(CNC(=O)[C@H]2COC[C@@H](C)N2C(=O)OC(C)(C)C)c1O	2139760146	OQDDKAIQRGWHTG-UKRRQHHQSA-N	364.442	2.341	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCCC[C@H]1C(=O)N1CCCC1	156625584	BLEWPRVDAYZIBQ-JKSUJKDBSA-N	360.454	2.185	10	10	FECE	
Nc1ccc(CC(=O)NCC2CN(C(=O)OCc3ccccc3)C2)cc1	1977681164	WOLXIYRIDKFCLV-UHFFFAOYSA-N	353.422	2.196	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H](CNCc2ccc(O)cc2O)C1	2040717630	UXNKRDJTGWGEMY-ZDUSSCGKSA-N	352.431	2.071	10	10	FECE	
CC(C)(C)OC(=O)NCCOCC(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2060632665	DNUXQHNMVXKGGP-CYBMUJFWSA-N	355.439	2.467	10	10	FECE	
C[C@@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)c1ccccc1O	2072479311	HPMUTZONCCFECK-XIKOKIGWSA-N	350.415	2.253	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@@H]21	2106764576	JEZAPJPACZJXFK-KCXAZCMYSA-N	360.458	2.289	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)[C@@](O)(CF)CNC(=O)OC(C)(C)C	2265168320	OCIRWJRIHQXVEU-VQIMIIECSA-N	367.465	2.165	10	10	FECE	
COc1cc(C=C2SC(=S)N(C)C2=O)cc(OC)c1OC(C)=O	2313507413	KSYDVAMPTAXRCM-UHFFFAOYSA-N	353.421	2.460	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CCC[C@@H]2C[C@@H]21	2309419462	NLYKZBVUHTVMEA-VKUWVTPLSA-N	350.459	2.336	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@H](NCc3ccc(O)cc3O)CO2)C1	2337156959	NIDDGKXHCXYHCM-AWEZNQCLSA-N	364.442	2.356	10	10	FECE	
CC(C)(C)OC(=O)NC[C@](C)(NCc1ccc2c(c1)CCCO2)C(=O)O	2351352289	DMYTYLUJOCYUEL-IBGZPJMESA-N	364.442	2.469	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCN(C2CC2)CC1	105152400	RTRBOHDESCIUIA-UHFFFAOYSA-N	360.527	2.229	10	10	FECE	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@H](O)COC	272000321	SWNRGTCLQOLJTG-CYBMUJFWSA-N	350.440	2.441	10	10	FECE	
CC(C)(C)OC(=O)NCC1(C(=O)NCc2ccccc2O)CCOCC1	286843968	WFPRMLMPCSBFNS-UHFFFAOYSA-N	364.442	2.330	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCc3c(F)cccc32)cc1	283681513	ZUHJJESLDTXOMC-GOSISDBHSA-N	355.413	2.312	10	10	FECE	
Cc1ccncc1CN(C)C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	807671210	MEPIVYSDNCVGID-OAHLLOKOSA-N	354.454	2.292	10	10	FECE	
C[C@@H]1CO[C@@H](c2ccccc2)CN1Cc1cc(O)n2ncc(C(=O)O)c2n1	737758433	QFKGBLFYJZANEC-MLGOLLRUSA-N	368.393	2.095	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1c2n(c(=O)n1C)CCCC2	839920447	AHUNLGUJBVRAMV-HNNXBMFYSA-N	370.497	2.259	10	10	FECE	
CN(C)c1ccc(CNC(=O)NC[C@@H]2CCC3(CCOCC3)O2)cc1F	915366179	MHBMTNIEFBVIQQ-HNNXBMFYSA-N	365.449	2.419	10	10	FECE	
C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCCc2cc(CN)ccc21	843349647	HMJMLABSGMNAFJ-YOEHRIQHSA-N	358.486	2.302	10	10	FECE	
Oc1cc2c(cc1CN1CCC[C@@H]3CC4(CC[C@@H]31)OCCO4)[C@H](O)CO2	840137452	WBXDPLLYHBNDOP-RPVQJOFSSA-N	361.438	2.326	10	10	FECE	
Nc1ccc(CCNC(=O)C(=O)N(Cc2ccco2)C2CCCC2)cc1	842238295	NDFLQUIZLZPZBH-UHFFFAOYSA-N	355.438	2.492	10	10	FECE	
COC1(OC)CC[C@H]1NCc1ccc(N2CCN(CC3CC3)CC2)cc1	925675032	DDCJQSMMVWVPSS-HXUWFJFHSA-N	359.514	2.460	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCCc2n[nH]cc2C1	852969114	KKEROGPOJSWLAU-UHFFFAOYSA-N	373.432	2.043	10	10	FECE	
CNC(=O)CC1(CNC(=O)NCc2c(O)cccc2F)CCCCC1	923328966	NQJMHQJPCRYMAF-UHFFFAOYSA-N	351.422	2.417	10	10	FECE	
CCC(NC(=O)c1cc(NS(C)(=O)=O)ccc1O)(C1CC1)C1CC1	862686326	PUOXIDIQEZIGBH-UHFFFAOYSA-N	352.456	2.462	10	10	FECE	
COC[C@H](C)CNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	768725501	PHOZVPAWMDBLOR-QGZVFWFLSA-N	374.529	2.300	10	10	FECE	
COc1ccc(N2CCN(C(=O)CCN(C)c3ccncc3)CC2)cc1F	779529785	UFUQIYYCSATIDB-UHFFFAOYSA-N	372.444	2.404	10	10	FECE	
COC(C)(C)[C@H](C)NC(=O)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	1119880669	UBBBUMFDVQWIIN-GJZGRUSLSA-N	363.502	2.038	10	10	FECE	
COCCCNC(=O)CN(C)Cc1cc(C)cc(Br)c1O	781895183	PTJIAWBHXYGNOM-UHFFFAOYSA-N	359.264	2.048	10	10	FECE	
Cc1ccnc(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1	791685530	RTNIZZDYHLKNIH-UHFFFAOYSA-N	365.481	2.247	10	10	FECE	
COC(=O)[C@@]12CCOC[C@@H]1CN(Cc1cc(Br)ccc1O)C2	793346443	QAWIHSWLKXJJEA-BLLLJJGKSA-N	370.243	2.166	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NCC[C@H]1CC1(F)F	1329541027	SROFNHPPTASGHJ-HIFRSBDPSA-N	367.440	2.270	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)CN1CCC(CNC(=O)OC(C)(C)C)CC1	2124533012	NDGBEZZSTFSJCY-UHFFFAOYSA-N	368.482	2.382	10	10	FECE	
O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1	2132348437	LMRNBKBDEUTYSW-HZPDHXFCSA-N	354.406	2.007	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](C)(NC(=O)c2cc(O)c(O)c(O)c2)C1	2132413465	NHVFYLDDCJFEDS-GOSISDBHSA-N	366.414	2.323	10	10	FECE	
COc1ccc(CN[C@H]2CCO[C@@](C)(C(=O)O)C2)cc1Cn1cccn1	1353962683	FJUGXBJPTAEIDK-QFBILLFUSA-N	359.426	2.052	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)c1	1445965511	GVMLNGRSUBARQD-RNRVQEDPSA-N	369.421	2.193	10	10	FECE	
NC(=O)c1cccc(CCNC(=O)c2cc3cc(O)c(O)cc3s2)c1	1442924058	DMUVJICODAITRT-UHFFFAOYSA-N	356.403	2.384	10	10	FECE	
CC[C@@H]1CN([C@H](CC)C(=O)NCc2ccc(N(C)C)c(F)c2)CCO1	1442474936	OPMSIBZHNHMWQV-NVXWUHKLSA-N	351.466	2.397	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC[C@@H]2c2ccc(F)cc2)c1	1453034626	XNSFCXDGPQLMLV-OAHLLOKOSA-N	364.398	2.490	10	10	FECE	
C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1N)c1ccc(N(C)C)cc1	1467260958	XDGROVNMHYUNIW-GFCCVEGCSA-N	361.467	2.229	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1	1472063728	OTVGLRKQUOADEX-ZDUSSCGKSA-N	374.824	2.416	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(CNC(=O)c2ccc(O)c(O)c2)C1	2136062191	AAAQAMHFOUVYJM-DJJJIMSYSA-N	362.426	2.475	10	10	FECE	
C[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1ccccc1O	1471195069	ARRHCVSAWCRQMW-LLVKDONJSA-N	353.338	2.372	10	10	FECE	
CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)c(F)c1	1728392462	JJUSAJVDKDCNGN-HNNXBMFYSA-N	374.464	2.329	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1cccn(Cc2ccccc2)c1=O	1635577349	GTDARALMXOSOMW-UHFFFAOYSA-N	350.374	2.489	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1cn(-c2cccc(Cl)c2F)nn1	1639444458	MKEDHYRVWWKICI-UHFFFAOYSA-N	362.748	2.401	10	10	FECE	
COCCN(C)c1nnc(C(C)C)n1Cc1ccc(N2CCOCC2)cc1	1730717538	KELLDVBUXLWXEX-UHFFFAOYSA-N	373.501	2.369	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(CC(C)(C)C)n1C[C@]1(O)CCOC1	1747750031	IELDIDQFPWHAPF-HXUWFJFHSA-N	374.485	2.360	10	10	FECE	
COc1ccc(CN[C@@H]2CC[C@H](CNC(=O)CN3CCCC3)C2)cc1C	1689019250	MXEQPUNNQKRYHB-RBUKOAKNSA-N	359.514	2.474	10	10	FECE	
CC(C)COC1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1	1685608354	AJCFPJYZAQFOEJ-IBGZPJMESA-N	362.518	2.422	10	10	FECE	
O=C(c1cc(O)c(O)c(O)c1)N1[C@H]2CC[C@H]1CN(Cc1ccccc1)C2	1866303413	VBGPKZJYPRCZQZ-HOTGVXAUSA-N	354.406	2.292	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)N1CC[C@H](N=[N+]=[N-])C1	2060636768	BIKBTAWZBAUPFP-RWMBFGLXSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2COCC[C@@]2(C(=O)NCCCN=[N+]=[N-])C1	2060616873	GOUVQSJYTQJFMG-MLGOLLRUSA-N	353.423	2.077	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)CCCOC1	2060618220	WRBVYZRSEDVUAE-WBMJQRKESA-N	353.423	2.362	10	10	FECE	
CC(C)(C)OC(=O)NCc1n[nH]c(=NCc2cc(F)cc(F)c2O)o1	2083267954	WVFWKKUTLYCUSB-UHFFFAOYSA-N	356.329	2.112	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](NC(=O)COc2ccc(N)cc2)C1	2106259047	XDECAEYMIJEINY-KTXOBNNYSA-N	367.421	2.159	10	10	FECE	
CN1CCc2cc([C@@H](O)C3(C(=O)O)CN(C(=O)OC(C)(C)C)C3)ccc21	2108538650	OSIICVDWHKETDR-OAHLLOKOSA-N	362.426	2.034	10	10	FECE	
CC(C)(C)OC(=O)N1CC(OCCCNCc2cccc(O)c2O)C1	2315420705	QSXHXAOESZIIAK-UHFFFAOYSA-N	352.431	2.213	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(C)c3)CC2)cc1	9856946	MSBTZTULRDOIOB-UHFFFAOYSA-N	353.422	2.291	10	10	FECE	
CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)CC2	120951184	ZHMPPHDJYMDOBP-HNNXBMFYSA-N	356.474	2.282	10	10	FECE	
Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)Cc3ccc(N)cc3)C2)n1	237742671	UUBRZVWBTXQDLI-INIZCTEOSA-N	352.438	2.392	10	10	FECE	
C[C@H](NCCCCN1CCC[C@H]1CO)c1ccc(N2CCOCC2)cc1	248200772	YQEDLEZJUHMFDZ-RXVVDRJESA-N	361.530	2.411	10	10	FECE	
Cc1ccc(CN[C@H](C)[C@H]2CCS(=O)(=O)C2)c(O)c1Br	2381129753	OQZJPSXQKHBHQG-PWSUYJOCSA-N	362.289	2.376	10	10	FECE	
CC(=O)NCCCCCC(=O)NCc1cc(Br)ccc1O	804738810	FLNGMMYGPWQBOK-UHFFFAOYSA-N	357.248	2.467	10	10	FECE	
COc1ccc(CNC(=O)Nc2cn(Cc3ccccc3)nn2)c(O)c1	801732725	VCHQJRLBKRPVGX-UHFFFAOYSA-N	353.382	2.362	10	10	FECE	
CNC(=O)[C@H]1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1	817638638	CZXRQGIYTSPQSU-HNNXBMFYSA-N	355.438	2.311	10	10	FECE	
COc1ccc(N2CCC(NC(=O)CNC(=O)c3ccsc3)CC2)cc1	726628271	VNOMAFIUKVSWQK-UHFFFAOYSA-N	373.478	2.272	10	10	FECE	
COc1cccc(CNC(=O)N[C@@H]2CCC[C@H]2Cc2cnn(C)c2)c1O	822603753	YHWITNMORSZUIF-GOEBONIOSA-N	358.442	2.345	10	10	FECE	
C[C@@H](C(=O)N(C)Cc1ccccc1O)[C@@H](O)CN(C)C(=O)OC(C)(C)C	901054311	WDGDDZPGBYTAIR-CJNGLKHVSA-N	366.458	2.215	10	10	FECE	
COC(=O)CN(C(=O)c1cc2cc(O)c(O)cc2s1)C1CCOCC1	900896204	VPRMAGWQAWLSHJ-UHFFFAOYSA-N	365.407	2.107	10	10	FECE	
COc1ccc([C@]2(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)C[C@H](O)C2)cc1	907274439	QSURKDMGDSBSCS-PCMMCCAGSA-N	371.433	2.246	10	10	FECE	
COC1CCN(C(C)(C)CNC(=O)NCc2c(O)cccc2F)CC1	917413100	VPRCYJGPWFFRMV-UHFFFAOYSA-N	353.438	2.220	10	10	FECE	
CN(C)Cc1csc(CNC(=O)NCc2ccc(N(C)C)c(F)c2)n1	915371340	ANRUIWPTBZCKMK-UHFFFAOYSA-N	365.478	2.409	10	10	FECE	
CCC(=O)N1CCCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CC1	917389467	GLFZXDBZMHJKML-VURMDHGXSA-N	361.398	2.230	10	10	FECE	
Cc1cc(CC(=O)N2CCCN(CC(=O)O)CC2)c(C)n1-c1ccccc1	911215264	JGSWDBVICKZECR-UHFFFAOYSA-N	369.465	2.256	10	10	FECE	
C[C@]1(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C[C@@]1(F)Cl	846414298	WWZGLEWMBDUIJV-KBPBESRZSA-N	364.826	2.198	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F	847246558	UXSJPIHXJFSISQ-FZMZJTMJSA-N	362.348	2.440	10	10	FECE	
CNC(=O)[C@H](CNCc1cc(F)ccc1O)Cc1ccc(OC)c(F)c1	843414999	QPZKEZDMFFHQCW-AWEZNQCLSA-N	364.392	2.374	10	10	FECE	
C[C@H](NC(=O)N(C1CC1)[C@@H]1CCNC1)c1ccc(N2CCOCC2)cc1	841742303	VUQAGJPXJKBBKM-HNAYVOBHSA-N	358.486	2.120	10	10	FECE	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@H](O)C2CCOCC2)cc1	912107740	WPKNYKWWVKRRPF-MRXNPFEDSA-N	374.403	2.431	10	10	FECE	
COc1cc([C@@]2(C(=O)O)C[C@H]2NC(=O)OCc2ccccc2)cc(O)c1O	1952828500	BJLDFEJTYPVJBK-BEFAXECRSA-N	373.361	2.128	10	10	FECE	
COC(=O)c1cnc(CN(Cc2ccccc2O)C[C@H]2CCCO2)cn1	859191089	VJVRNGUECDPLJH-MRXNPFEDSA-N	357.410	2.150	10	10	FECE	
C[C@@]1(C2CC2)CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CCO1	852003712	APMHVIWOKJNRIA-FQEVSTJZSA-N	359.470	2.234	10	10	FECE	
COC(=O)c1ccccc1CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	855234116	SLSUOHQGIUEZLQ-INIZCTEOSA-N	368.433	2.419	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC2(C(=O)N(C)C)CC2)c1	861990137	VYWHQSJPELBLCY-UHFFFAOYSA-N	353.422	2.257	10	10	FECE	
CC(C)(C)OC(=O)[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1	761907791	PFFJTENSDOXODY-SNVBAGLBSA-N	363.370	2.094	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)CN3CCCCC(=O)C3=O)cc2)CC1	865604356	VOCGLBLXGZVIMC-UHFFFAOYSA-N	371.481	2.121	10	10	FECE	
CC(C)N(C)CC1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1	774518699	QHSRSZHHRGCYCT-UHFFFAOYSA-N	362.430	2.482	10	10	FECE	
O=C(NCCCC1CC1)C(=O)NCc1ccc(N2CCSCC2)cc1	789865053	VYLNCGDUXZRVBM-UHFFFAOYSA-N	361.511	2.162	10	10	FECE	
O=C(C1CN([C@H]2CCOC2)C1)N(Cc1ccco1)Cc1ccccc1O	896421655	LDVFKASREIKKRY-KRWDZBQOSA-N	356.422	2.235	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1CCS(=O)(=O)C(C)(C)C	1304794923	SYGFWUUXZGJRQF-UHFFFAOYSA-N	366.487	2.142	10	10	FECE	
Oc1cccc(CNC[C@]23CN(Cc4ccccc4)C[C@H]2CCO3)c1O	2118580887	GXEOREXUPJEPJY-NQIIRXRSSA-N	354.450	2.479	10	10	FECE	
C[C@@H]1C[C@]1(CNC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	2124299509	OHCSIBRTAWXGGV-CWTRNNRKSA-N	364.442	2.307	10	10	FECE	
COCC1(C(=O)N2CCC(CN=[N+]=[N-])CC2)CN(C(=O)OC(C)(C)C)C1	2124517927	QZVDSIVKLDQEFI-UHFFFAOYSA-N	367.450	2.419	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@H](NCc3cc(F)cc(F)c3O)CO[C@H]2C1	2121657005	LMMBRIOIFGSIHL-CFVMTHIKSA-N	370.396	2.394	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@]3(Cl)C[C@H]4CC[C@H]3O4)CC2)cc1	1445731811	IMLXGTLEKDUDPH-JFIYKMOQSA-N	350.846	2.273	10	10	FECE	
C[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1O)N(C)C	1288646792	FUVVPLBDVZCECB-HOCLYGCPSA-N	359.474	2.074	10	10	FECE	
COc1cccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)c1O	1445963245	BDMYQDDYQYABOY-CYBMUJFWSA-N	358.369	2.209	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)NCc1ccc(O)cc1O	1451757261	LPMOZYSHLWTNFM-CQSZACIVSA-N	350.415	2.407	10	10	FECE	
Cc1[nH]nc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1O	1464309565	MYIPHPHJPOGTQY-QWRGUYRKSA-N	362.405	2.106	10	10	FECE	
C[C@H](CCN(C)C)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	1630718765	LJXKVDYPQKHSSN-GOSISDBHSA-N	372.557	2.423	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cc3cc(F)ccc3O)CC2)c(OC)c1	1634886692	OMQNAJOCBFZPBD-UHFFFAOYSA-N	374.412	2.440	10	10	FECE	
CN(C)c1ccc([C@@H](NC(=O)c2ccc(N)cc2O)c2nccn2C)cc1	1865947965	PPNVEXKNBUFMCH-GOSISDBHSA-N	365.437	2.293	10	10	FECE	
CCN1CCc2cc([C@@H](N)[C@]3(O)CN(C(=O)OC(C)(C)C)[C@@H]3C)ccc21	1887683340	IHXVGQPVDBCMIS-DUXSXAKTSA-N	361.486	2.439	10	10	FECE	
COc1ccc(O)c(CNCC2(CCO)CN(C(=O)OC(C)(C)C)C2)c1	1972794980	KHAHZOZVADUPFX-UHFFFAOYSA-N	366.458	2.110	10	10	FECE	
CNCc1ccc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1Br	2170654885	ZTOSBAUXEPNOAU-MNOVXSKESA-N	363.321	2.426	10	10	FECE	
Cc1cc(=NC(=O)CN2C(=O)C(=Cc3ccccc3)SC2=S)[nH]o1	2053497027	UAHUXSYGUMTESC-UHFFFAOYSA-N	359.432	2.245	10	10	FECE	
COC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2060633744	RAMRQCRHTUPBGH-MLGOLLRUSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)NCC1(CN=[N+]=[N-])CC1)[C@H]1CCOC1	2060620771	FCHUCWRIPQZBTJ-RYUDHWBXSA-N	353.423	2.123	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc(N)cc1	2106775384	WXIRMAZBMPLOLM-GASCZTMLSA-N	361.442	2.258	10	10	FECE	
Cc1cccc(N2C(=O)NC(=O)C(=CNCc3ccc(F)cc3)C2=O)c1	2297317942	MQVSKAFAEPYZOV-UHFFFAOYSA-N	353.353	2.391	10	10	FECE	
COc1ccc(N(C)C(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)cn1	2297411012	BOMAXAXWXAAFAN-UHFFFAOYSA-N	367.409	2.385	10	10	FECE	
CCN1C(=O)NC(=O)C(=Cc2c(OC)ccc3ccc(OC)cc23)C1=O	2313631416	LAPYADDVMALCEP-UHFFFAOYSA-N	354.362	2.339	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])CO1	2312333953	HITGUMZWTYGBAO-FVCCEPFGSA-N	353.423	2.358	10	10	FECE	
Cc1ccc(S(=O)(=O)N2CCN(c3ccc4c(c3)CC(=O)N4)CC2)cc1	62575963	OZCSAGKCSKVMKH-UHFFFAOYSA-N	371.462	2.001	10	10	FECE	
COCCN1[C@H](C)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H]1C	128030872	SQYNVYBRLDUYSD-QZTJIDSGSA-N	372.513	2.313	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cn2ccnc2s1	188599160	LKDYXHALCYMVKS-UHFFFAOYSA-N	374.441	2.426	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N[C@@H](C)c1ccc(O)cc1O	310865906	XOQUCCDDLJDPRR-PEYYIBSZSA-N	352.431	2.383	10	10	FECE	
COCCN1C(=O)/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)SC1=S	33436553	CZIRJJMCXSCXDS-YRNVUSSQSA-N	370.408	2.157	10	10	FECE	
Cc1n[nH]c([C@@H]2CN(Cc3cc(Br)ccc3O)CCO2)n1	180104011	ZBVLDVKGTSTHFF-ZDUSSCGKSA-N	353.220	2.155	10	10	FECE	
O=C(NCc1cccc(Br)c1O)N[C@H]1CCNC12CCC2	529356033	YSKAAZLUCZVCID-LBPRGKRZSA-N	354.248	2.239	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@H](C)[C@@H](C)CO)cc2F)C[C@@H](C)O1	265891841	VKCJWZKZHMMORA-GBJTYRQASA-N	367.465	2.255	10	10	FECE	
CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@]2(CCOC2)O1	376020567	GREXCEVUSODMMG-DYVFJYSZSA-N	352.387	2.079	10	10	FECE	
CN1CCCc2cc(CNC(=O)NC[C@H](CO)c3cccnc3)ccc21	806635801	VOTOPYSUIGYFRQ-GOSISDBHSA-N	354.454	2.039	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)NOCc1cccnc1	805222836	QBUCNLXWINOLGL-UHFFFAOYSA-N	352.188	2.481	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@]2(C)CCOC2=O)C1	813294108	ADGARZUWRUCRFW-NRFANRHFSA-N	369.465	2.230	10	10	FECE	
C[C@H](NC(=O)N1[C@H]2CC[C@H]1[C@@H](CO)C2)c1ccc(N2CCOCC2)cc1	812015413	PLBXZLGBJOOSDO-FXECBMLZSA-N	359.470	2.139	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)C3(CF)CCOCC3)C2)cc1	819591767	WGUWPZBMKWFIRT-HNNXBMFYSA-N	350.434	2.404	10	10	FECE	
CC1(C2CC2)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1	812273701	GTXBYDNSSXLAET-UHFFFAOYSA-N	352.456	2.416	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1	821719656	DPBIGWIJDLSKKM-CHWSQXEVSA-N	363.801	2.074	10	10	FECE	
COc1ccc(N2CCC(NC(=O)[C@H]3CCc4nc[nH]c4C3)CC2)cc1	825425988	RYMNZPRUASUSGP-AWEZNQCLSA-N	354.454	2.308	10	10	FECE	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N[C@H]1C[C@@H]1C(F)F	838740175	UBFNTQPMKQOZQM-GWCFXTLKSA-N	361.339	2.254	10	10	FECE	
CN(C)c1ccc(/C=C\CNCCS(=O)(=O)NCc2ccccc2)cc1	835038341	WCLAJFBFXHVAMN-TWGQIWQCSA-N	373.522	2.475	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC[C@H]2CCCCN12	912709909	YIEFEGPHVIQBEJ-QUCCMNQESA-N	357.498	2.281	10	10	FECE	
COCCO[C@@H]1CCCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1	844207524	MFMVLIJSHHEAMR-HZRUHFOJSA-N	350.371	2.324	10	10	FECE	
COc1cc(Br)cc([C@H](C)NC[C@@H]2CCCNC2=O)c1O	848552360	LDJSFVQWVGKXSP-UWVGGRQHSA-N	357.248	2.340	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCCc2n[nH]cc21	758240964	JVTFGBRACGACRO-GOSISDBHSA-N	368.481	2.355	10	10	FECE	
CC(C)n1ncc2cc(/C=C/C(=O)N3CCc4nc(F)ccc43)c(=O)[nH]c21	857898385	NZODWISKPRGYCD-ZZXKWVIFSA-N	367.384	2.442	10	10	FECE	
C[C@@H]1O[C@H](C)[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@H]1C	858854743	CSULZEMFMAUFIC-XTDOFWJNSA-N	361.486	2.259	10	10	FECE	
CN(C)c1ccc(CN2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1F	856534180	DYDBPCXNRQICJV-DLBZAZTESA-N	356.445	2.242	10	10	FECE	
C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CC1=O	750661112	BRYREXGDPCKZQU-IFIJOSMWSA-N	357.454	2.080	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NCc2ccc3c(c2)CCO3)C1	2116264758	GWADJECDFRMLER-IAGOWNOFSA-N	362.470	2.329	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NC[C@H]1C[C@H]1C	1321887250	WQPHBTMVIMXVKN-GHMZBOCLSA-N	369.259	2.275	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C1	2124507415	AACGZJPSPJHZBL-AHIWAGSCSA-N	365.434	2.314	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NC/C=C/c2ccccc2)cc1F	1333932510	GJEIFVSROHBCHB-RMKNXTFCSA-N	355.413	2.338	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1	2132411003	RLELUKFZJOBSSV-CMPLNLGQSA-N	366.414	2.227	10	10	FECE	
CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1C[C@]1(O)CCO[C@H]1C	1509137280	JUPOGNQYQRQQQB-MGPUTAFESA-N	374.485	2.359	10	10	FECE	
CN(CC(F)F)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136260851	GWYXJJNPXVNSGG-NSHDSACASA-N	374.384	2.257	10	10	FECE	
Cc1ccc(O)c(CNC(=O)CNC(=O)c2ccc(Br)o2)c1	1557553582	RDOZQCPPRALJGE-UHFFFAOYSA-N	367.199	2.102	10	10	FECE	
NC(=O)c1nccnc1N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	1559098159	PQBRGARKARTNNU-CYBMUJFWSA-N	361.833	2.011	10	10	FECE	
C[C@H]1C[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1O	1726483596	HJEMNXOLLYLCKW-GOEBONIOSA-N	369.469	2.399	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CCNC(=O)c1cccs1	1568735617	AQMMDVOPNBXGLX-UHFFFAOYSA-N	353.440	2.376	10	10	FECE	
C[C@H]1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)c2ccsc2S1(=O)=O	1642046061	WBRMELQQQRHQDV-CABZTGNLSA-N	367.448	2.125	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1CC(C)(C)N1CCOCC1	1693459673	ULRRTFXMODACPR-UHFFFAOYSA-N	359.474	2.039	10	10	FECE	
Nc1ccc(CC(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)cc1	151610346	RLJIAXAXQNTKAK-UHFFFAOYSA-N	373.416	2.308	10	10	FECE	
COc1cccc(CN[C@@H]2COC[C@@H]2CNC(=O)OC(C)(C)C)c1O	2036599859	QHLBFHHKDSKWPO-UONOGXRCSA-N	352.431	2.030	10	10	FECE	
O=S1(=O)[C@H]2CC[C@H]1CN(Cc1ccc(Br)cc1O)CC2	529675969	MJYRGPLTBYPDLL-STQMWFEESA-N	360.273	2.306	10	10	FECE	
CO[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1O	2060258100	XZYSVGJLHCHNPE-IUODEOHRSA-N	352.431	2.279	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CCO[C@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2060614658	FSQYRHFTXGUXTA-VXGBXAGGSA-N	353.423	2.123	10	10	FECE	
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2060635652	NXGREMBONKJOPP-XQQFMLRXSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CCCOc3ccccc32)=C[C@@H]1O	2200998563	LHLFVXCWFSZGHI-HOCLYGCPSA-N	374.437	2.386	10	10	FECE	
Nc1ccc(CCC(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)cc1	2106232974	VWWHXJWQQSDWKI-CQSZACIVSA-N	357.376	2.261	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](COc3ccc(N)cc3)O[C@@H]2C1	2253907053	SZZKLVLFYMGXSL-HRCADAONSA-N	350.415	2.051	10	10	FECE	
Cc1cccc(CNC(=O)C23CC(NC(=O)OC(C)(C)C)(CO2)C3)c1O	2266011839	GQSVHBMEVDSQRF-UHFFFAOYSA-N	362.426	2.143	10	10	FECE	
COc1ccc(N2C[C@@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c(OC)c1C	2278067361	YEZJZIAKBOTAOA-KGLIPLIRSA-N	366.458	2.477	10	10	FECE	
CC1=NN(c2ccc3nncn3n2)C(=O)C1=CNc1cccc(Cl)c1	2296892386	FCIMFQITIYUCLP-UHFFFAOYSA-N	353.773	2.496	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)CN1CCC[C@@H](NC(=O)OC(C)(C)C)C1	2315993301	ZXJIPIPJFHYRKR-CYBMUJFWSA-N	354.455	2.134	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(C(=O)C(=O)C[C@H]3C[C@H](N)C3)C[C@H]21	2330093456	GXYSXEQOJCGTKH-LOWKKRRBSA-N	362.470	2.430	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(NC(=O)Nc3ccc(N)cc3)CO[C@H]1C2	2334246176	HTTJUNBVYCNWES-QWQRMKEZSA-N	362.430	2.215	10	10	FECE	
Cc1ccc(CNS(=O)(=O)NC(C)(C)C)c(O)c1Br	2352952802	PWDXFSFUTCKRBN-UHFFFAOYSA-N	351.266	2.186	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3CCN(CC(F)F)CC3)ccc21	64229143	FVEHDTXHAZHNOB-UHFFFAOYSA-N	352.429	2.161	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)C3[C@H]4CCCC[C@H]34)cc2)CC1	188118011	TWCRJNBWURJGFP-OALUTQOASA-N	355.482	2.408	10	10	FECE	
Cc1cc(C(=O)NC[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1F	44723726	HKBZIUSIEHATTN-CQSZACIVSA-N	364.442	2.398	10	10	FECE	
CN(C)c1ncccc1CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1	255308867	VHEONUDWTJZXET-YFHOEESVSA-N	366.465	2.314	10	10	FECE	
O=C(NC1(C(=O)O)CC(c2cc(O)c(O)c(O)c2)C1)OCc1ccccc1	1952488437	LPUYBQJKFWNXOV-UHFFFAOYSA-N	373.361	2.431	10	10	FECE	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@@H]1NC(=O)NC1=O	294965736	NOOULEWLSMTCPZ-CJNGLKHVSA-N	367.405	2.080	10	10	FECE	
COc1ccc(N2CCC(NS(=O)(=O)CC(C)(C)OC)CC2)cc1	809814712	YJHVHCTVUUASHA-UHFFFAOYSA-N	356.488	2.008	10	10	FECE	
COc1ccc(O)c(CN=c2nc([C@H](C)NC(=O)OC(C)(C)C)[nH][nH]2)c1	2130119311	PCADNUMTDSHHKP-JTQLQIEISA-N	363.418	2.139	10	10	FECE	
Nc1ccc(Br)c([C@@H](N2CCNCC2)C(F)(F)F)c1O	575274060	BEVJUMVEEGXTKB-LLVKDONJSA-N	354.170	2.246	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NCCCc1nnc2n1CCCCC2	588407082	VITYHYMJDHSHFE-NTMALXAHSA-N	356.426	2.178	10	10	FECE	
CN(C)c1ccc(/C=C/CNc2cnn(CCN3CCOCC3)c2)cc1	835040767	GXMQOFZQMUVJSJ-ONEGZZNKSA-N	355.486	2.407	10	10	FECE	
CCOC(CC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)OCC	837710031	FMVBYLFGSPTGIP-UHFFFAOYSA-N	372.412	2.207	10	10	FECE	
COC(=O)c1cncc(NC(=O)N(C)CCN(C)c2ccc(OC)cc2)c1	844561676	NLJDSZPIBUODSU-UHFFFAOYSA-N	372.425	2.477	10	10	FECE	
C[C@@H](CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)NC(N)=O	912110151	NYHGRXBFMTUCKI-NSHDSACASA-N	360.380	2.090	10	10	FECE	
COc1cc(Br)cc([C@H](C)NCCOCCN(C)C)c1O	848546787	FKMHJNNCWPNERN-NSHDSACASA-N	361.280	2.392	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCN2C(=O)OCC[C@@H]2C1	840481897	PQYVLTCHPKHLBN-MAUKXSAKSA-N	374.485	2.228	10	10	FECE	
CN(C)[C@H]1C[C@@H](CNC(=O)NCc2ccc(N3CCSCC3)cc2)C1	847289917	QPOFWRFUQSMTCQ-MAEOIBBWSA-N	362.543	2.379	10	10	FECE	
CN1CC[C@H](NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1(C)C	858104345	HIDQSLVMHPRYJZ-MSOLQXFVSA-N	358.530	2.351	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)NCC3(C(=O)O)CCC3)C2)cc1	851653097	YFAXRCAKMQNPCI-AWEZNQCLSA-N	361.442	2.076	10	10	FECE	
COc1cc(N2CCN([C@@H]3CCO[C@H](C)C3)CC2)cc(OC)c1OC	851935632	FDSYAZVRANMRIM-HUUCEWRRSA-N	350.459	2.402	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@@H]4COC[C@@H]4C3)C2)cc1	852386938	NMLREMICPBIPGU-ZACQAIPSSA-N	359.470	2.199	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(CN)cc3)C2)cc1	851669884	WHNKRPYXSMKOJD-KRWDZBQOSA-N	354.454	2.232	10	10	FECE	
CON1CCC(CC(=O)NCc2cc(Br)ccc2O)CC1	854442732	VVJDTTGKOGDIPI-UHFFFAOYSA-N	357.248	2.434	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H]1CCC[C@@H](C)O1	850601023	AJHPNQKTEXRWKD-QAPCUYQASA-N	361.486	2.175	10	10	FECE	
COCc1n[nH]c(CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n1	855520959	JPKCRPCGTBSKGW-UHFFFAOYSA-N	357.389	2.428	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]3[C@@H]3C[C@H]43)cc2)CC1	867680977	LBUIUJZYARQVMG-QNDFHXLGSA-N	367.493	2.263	10	10	FECE	
COC(=O)c1cn([C@H]2CCCN(Cc3cc4c(cc3O)CCC4)C2)nn1	762461922	QTMFZVSMPQNVPC-INIZCTEOSA-N	356.426	2.096	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1[C@H]2C[C@@H]3CO[C@H]1[C@H]3C2	868116021	HLDHBBZFBSHMSO-BVRUVYRISA-N	373.522	2.462	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H](CO)c1ccsc1	770349099	HPGBHCIUYRWGKW-KRWDZBQOSA-N	361.467	2.118	10	10	FECE	
COC(=O)c1c(CN2CCC[C@@H]2C(=O)NC2CC2)c2cc(F)ccc2n1C	893953300	BUSDCOOLSOQBSX-QGZVFWFLSA-N	373.428	2.347	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O	1178911604	NUFCDEDJCAXAOL-ZDUSSCGKSA-N	360.797	2.421	10	10	FECE	
CCOc1ccccc1[C@@H](CC(=O)NCc1cc(O)ccc1O)NC(C)=O	1176747863	DATROBRFTANPGJ-QGZVFWFLSA-N	372.421	2.380	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@](F)(CNC(=O)c2cccc(O)c2O)C1	2118181531	QCORCPJTGDJEIK-MXXVBZNESA-N	368.405	2.471	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(C(=O)NCc2ccccc2O)C1	2124173513	YGGJUVXSSCLJIL-AUUYWEPGSA-N	362.426	2.034	10	10	FECE	
CON(C)C(=O)CNC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C	1252017825	LSGJBPYZXQJMIR-UHFFFAOYSA-N	358.442	2.222	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(C(=O)NCCc2ccc(O)c(O)c2)C1	1902450327	LJPQYIXAICWIAR-YJYMSZOUSA-N	362.426	2.014	10	10	FECE	
CC(C)(C)OC(=O)NCCC1CC(NC(=O)c2cc(O)c(O)c(O)c2)C1	2132402118	XJFNTLWZFQIAEA-UHFFFAOYSA-N	366.414	2.227	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CCC(CN=[N+]=[N-])CC2)=C[C@H]1O	2131479640	YGBWZCOYIUHODC-UONOGXRCSA-N	365.434	2.120	10	10	FECE	
C[C@H]([C@@H](O)c1ccc2c(c1)CCN2C)N1CC(NC(=O)OC(C)(C)C)C1	2131764866	CMVKLKJRUOTDLH-FZKQIMNGSA-N	361.486	2.310	10	10	FECE	
CC(C)[C@H](CO)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	1345834177	WACWQZFYWYWTLH-FQEVSTJZSA-N	374.529	2.035	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H]1CCC(C)(C)CO1	1262142164	OLTLDSVZPIDRRU-QGZVFWFLSA-N	361.486	2.032	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H]1[C@H](O)c1ccccc1	1348672781	NWEROINWUDLPIA-IEBWSBKVSA-N	368.433	2.075	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CC[C@H]1[C@H]1CCCOC1	1519473610	IPJLSBSSOICXFH-PXNSSMCTSA-N	373.497	2.358	10	10	FECE	
CCO/C=C/[C@](O)(CNC(=O)c1ccc(N=NC(N)=O)cc1)C(F)(F)F	1298586286	SDYPFCGARSOWPB-JMDALMGXSA-N	374.319	2.422	10	10	FECE	
Cc1nnc(N2CCC(F)(F)C2)n1Cc1ccc(N2CCOCC2)cc1	1543230493	NLEZYKSOOYLEEI-UHFFFAOYSA-N	363.412	2.317	10	10	FECE	
CNC(=O)COc1cccc(CC(=O)NCc2cc(Cl)ccc2O)c1	1628681551	WWRLPNTXGZFRFZ-UHFFFAOYSA-N	362.813	2.029	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)CCN2C(=O)C(C)=C(C)C2=O)cc1	1625013864	HJLHQWTVUVEIFO-UHFFFAOYSA-N	357.454	2.244	10	10	FECE	
COc1cc(C(=O)N[C@@H]2CC[C@H](CNC(=O)C=C(C)C)C2)cc(OC)n1	1719434011	HFEOVSNUYGALDT-DZGCQCFKSA-N	361.442	2.080	10	10	FECE	
CCn1cc(-c2n[nH]cc2C(=O)NCc2ccc3cccnc3c2O)cn1	1639621566	LBUICZGTUAKTRH-UHFFFAOYSA-N	362.393	2.477	10	10	FECE	
CS(=O)(=O)C[C@H](C(=O)NCc1cccc(Cl)c1O)c1ccccc1	1640405374	SFRDHVIKPAGDQO-AWEZNQCLSA-N	367.854	2.490	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H](CC)N(CC)CC	1570514552	GSWXCXCKFFFFKE-MRXNPFEDSA-N	350.459	2.404	10	10	FECE	
CCS(=O)(=O)Nc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1	1596625688	SVVNREHTOTXBIZ-UHFFFAOYSA-N	350.396	2.041	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1[C@@H](C)[C@H](C)NC(=O)[C@H]1C	1673744440	LZVLYZJHRZYMDF-YHUYYLMFSA-N	360.502	2.299	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@]1(C(=O)NCCc1ccc(O)c(O)c1)C2	1877333305	ZHAOFCSOISJTDN-XVDXERDNSA-N	362.426	2.156	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CNCc1cc2c(cc1O)OCO2	1973716613	ZMRQXKNKGJCEDG-NEPJUHHUSA-N	350.415	2.371	10	10	FECE	
O=C(N[C@H]1CN(Cc2ccccc2)[C@]2(CCOC2)C1)c1cccc(O)c1O	2154517538	KOYFUFJZNWHYFV-IIBYNOLFSA-N	368.433	2.261	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](NCc3ccc(O)c(O)c3O)C[C@H]21	2037299143	UULVTSOCOMGPRP-FRRDWIJNSA-N	350.415	2.291	10	10	FECE	
C[C@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1CNC(=O)OC(C)(C)C	2054398678	BQTICYXBPUGARV-AAEUAGOBSA-N	350.415	2.331	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)O1	2060632908	HHSCIYUIDJWCTK-RWMBFGLXSA-N	353.423	2.218	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])CO1	2060612904	LNHVCUFTXFKUPU-UPJWGTAASA-N	353.423	2.312	10	10	FECE	
COc1ccc(CNC[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)c(O)c1	2102326112	XKKNWGSBEXQQGT-AWEZNQCLSA-N	366.458	2.374	10	10	FECE	
CC(C)(C)OC(=O)NCC1(F)CC(NC(=O)COc2ccc(N)cc2)C1	2106232566	XDECAEYMIJEINY-UHFFFAOYSA-N	367.421	2.159	10	10	FECE	
O=S1(=O)C[C@@H]2CCC[C@]2(NCc2cccc(Br)c2O)C1	2201868605	WBNWOROYLBIFOT-FZMZJTMJSA-N	360.273	2.212	10	10	FECE	
CN(C)c1ccc(O[C@](CF)(CNC(=O)OC(C)(C)C)C(=O)O)cc1	2253983527	AKGMHANIVPOGEZ-QGZVFWFLSA-N	356.394	2.449	10	10	FECE	
COc1ccc(N2C[C@H](C)OC3(CN(C(=O)OC(C)(C)C)C3)C2)c(N)c1	2272838167	VIBYLFJKLFOWQB-ZDUSSCGKSA-N	363.458	2.492	10	10	FECE	
O=C(NN1C(=O)C(=Cc2cccnc2)SC1=S)c1cccc(O)c1	2295993307	ICODMLNAXZKNLC-UHFFFAOYSA-N	357.416	2.333	10	10	FECE	
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1C	2296240173	ZGWMEVSYNYDFKQ-UHFFFAOYSA-N	367.361	2.037	10	10	FECE	
CSc1ncc(CNC(=O)c2cnc(NN)c(Br)c2)s1	2284728088	NRWYZMPINQMVME-UHFFFAOYSA-N	374.289	2.238	10	10	FECE	
O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S	1909858	NFCFWBGPXXNSSR-UMYFRRCYSA-N	371.823	2.469	10	10	FECE	
COCCCN1C(=O)N=C(O)/C(=C/Nc2cccc3ncccc23)C1=O	102734133	GXVGQAMKTWDXRA-QBFSEMIESA-N	354.366	2.486	10	10	FECE	
CN(C)c1ccc([N+](=O)[O-])cc1/C=C1\C(=O)NN(c2ccccc2)C1=O	33403557	FAVZLUULMBCIMW-RVDMUPIBSA-N	352.350	2.122	10	10	FECE	
CCN(CC)C(=O)COc1ccc(C=C2C(=O)OC(C)(C)OC2=O)cc1	96565229	JVALJLBXKBOLRP-UHFFFAOYSA-N	361.394	2.153	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1O	528776042	BIDOHICJSQTZHS-KGLIPLIRSA-N	357.859	2.400	10	10	FECE	
Cn1c(COC(=O)/C=C\c2ccc(N3CCOCC3)cc2)nnc1C1CC1	254955008	GJMIXAHBPUVGHL-WTKPLQERSA-N	368.437	2.286	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N1CCOc2ccncc21	255048067	WRIVLEDENCHEFF-UTCJRWHESA-N	351.406	2.357	10	10	FECE	
COc1ccc(CNC(=O)N[C@@H]2CCN(c3ccccc3OC)C2)c(O)c1	373387632	WKEDLBYKQLIFTL-OAHLLOKOSA-N	371.437	2.488	10	10	FECE	
CCOC(=O)C1([S@@](C)=O)CCN(Cc2cc(OCC)ccc2O)CC1	294666601	ANIAYZAEKPXUAX-RUZDIDTESA-N	369.483	2.067	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1nccnc1OC	294676762	DATGVCOMQIRZMJ-UHFFFAOYSA-N	351.790	2.019	10	10	FECE	
Cc1cnc(CCN(C)C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1	807676535	HJHMXONUDBYVOT-AWEZNQCLSA-N	374.510	2.396	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)C[C@H]3CCOC[C@H]3OC)C2)cc1	819590565	KWPTUZOLJOFQCT-GPMSIDNRSA-N	362.470	2.079	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Nc3cc(C)nnc3N(C)C)C2)cc1	824522163	MDDUXIHYBIIWBA-CQSZACIVSA-N	370.457	2.260	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCO[C@H]1C1CC1	906860911	WQPDXPIANBCROK-APWZRJJASA-N	362.445	2.218	10	10	FECE	
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	906739161	OTEVRDHEIBNXIJ-RBUKOAKNSA-N	374.481	2.101	10	10	FECE	
C[C@@H](NC(=O)N(C)Cc1cnccn1)c1ccc(N2CCOCC2)cc1	735583557	YXHOMEMVSWIZQG-OAHLLOKOSA-N	355.442	2.216	10	10	FECE	
COC(C)(C)[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	914242678	QZORKKMVKWFMGB-CYBMUJFWSA-N	353.438	2.275	10	10	FECE	
CCO[C@@H]1C[C@H](NC(=O)NCc2cc(Cl)ccc2O)[C@H]1n1cccn1	845223098	HMZGWGZRYKSMAS-NUEKZKHPSA-N	364.833	2.460	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1	848938751	QIICRUZOEVCEHD-OALUTQOASA-N	373.497	2.175	10	10	FECE	
CC(C)(C)OC(=O)C1(CNC(=O)c2c(F)ccc(O)c2O)CCOCC1	844146870	RMYUEQXVMNBGHQ-UHFFFAOYSA-N	369.389	2.105	10	10	FECE	
CN1CCC(N2C(=O)/C(=C\c3cn(C)nc3Cl)SC2=S)CC1	856719212	SEAGOXOGLUCCPL-YRNVUSSQSA-N	356.904	2.369	10	10	FECE	
CC[C@@H](N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(F)cc1O	858490029	RZRXLIXYROJCKP-UKRRQHHQSA-N	356.405	2.289	10	10	FECE	
Cc1ccc(O)c(CNC(=O)C(=O)Nc2cc(C)n([C@H](C)C3CC3)n2)c1	862025856	ROSJFMINOIXDPM-CYBMUJFWSA-N	356.426	2.431	10	10	FECE	
Cc1cc(C(=O)N[C@H]2CCN(CC(C)(C)O)C2)c(C)n1-c1ccccn1	869783569	IVSABWIDBXBUDJ-INIZCTEOSA-N	356.470	2.064	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC(=O)N(C)[C@H](C)C1	861546683	HPEGVBANBUAGPU-CQSZACIVSA-N	353.422	2.209	10	10	FECE	
CC(C)CS(=O)(=O)CCC(=O)NCc1ccc2cccnc2c1O	862028578	DIMALLUIAHCXQC-UHFFFAOYSA-N	350.440	2.018	10	10	FECE	
Cc1cc(CCNC(=O)N2CC[C@H](NC(N)=O)C2)c(C)n1-c1ccccc1	762997341	ASPJHJJQLCIMCY-KRWDZBQOSA-N	369.469	2.089	10	10	FECE	
O=C1N[C@@H](Cc2cncs2)C(=O)N1Cc1ccc(N2CCCC2)cc1	871895873	ZVJIIDPIVWNULZ-INIZCTEOSA-N	356.451	2.406	10	10	FECE	
O=C(O)c1cnn2c(O)cc(CN3CC[C@]4(CCc5ccccc54)C3)nc12	872165752	KQHDLFRCMAHORN-HXUWFJFHSA-N	364.405	2.223	10	10	FECE	
Cc1ccc(N2C[C@H](C(=O)NCc3cccc(O)c3O)CC2=O)cc1F	1123978115	QGLSAMLQWBOSLE-CYBMUJFWSA-N	358.369	2.215	10	10	FECE	
COc1ccc(N2CCC(NC(=O)c3ccnc4[nH]cnc34)CC2)cc1	775614221	UNFMTZRXVVJLGD-UHFFFAOYSA-N	351.410	2.365	10	10	FECE	
COC(=O)[C@H](C[C@@H]1CCCO1)NCc1ccc(OC)c(Cn2cccn2)c1	895864904	PDWWLTDRMRXNFU-ROUUACIJSA-N	373.453	2.140	10	10	FECE	
Cc1cccc2c(=O)n(CC(=O)NCc3cc(Cl)ccc3O)cnc12	1146231868	ISUAQYWXUOCVOD-UHFFFAOYSA-N	357.797	2.380	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)c1cc2c(cc1[N+](=O)[O-])OCCCO2	1150487255	CJPYMJRTPLSPBO-UHFFFAOYSA-N	374.349	2.140	10	10	FECE	
COc1cc(N2CCN(c3cnccn3)[C@H](C)C2)c([N+](=O)[O-])cc1OC	1164382419	BKDUDUICVOPHER-GFCCVEGCSA-N	359.386	2.117	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12CN(CCc3ccc(N)cc3)C[C@H]1CCO2	2118569189	RDULJQHTSQKUGH-UZLBHIALSA-N	361.486	2.427	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(N2CCOCC2)cc1	1321902367	KCSTYRNEWWYPOU-MRHSLFKSSA-N	371.481	2.005	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NCc2ccc3c(c2)CCCO3)C1	2126907475	NGWDYQUTAZJMFA-SJORKVTESA-N	362.470	2.472	10	10	FECE	
COc1ccc(O)c([C@H](C)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)c1	1337786320	WAUFOMPPOHBMOR-YUNKPMOVSA-N	369.421	2.306	10	10	FECE	
O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)C(=O)N1Cc2cccc(O)c2C1	1354538614	BGRSESAREWEEJM-OAHLLOKOSA-N	356.809	2.171	10	10	FECE	
CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H](c1ccccc1)c1nc[nH]n1	1637574698	KJHRDEIWEVCMJK-XSFOEPMVSA-N	350.378	2.477	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)C2(C)COC(C)(C)OC2)cc1	1640771746	RKFQAJLVBDNBJN-UHFFFAOYSA-N	350.459	2.379	10	10	FECE	
O=C(N[C@@H]1COCC[C@H]1NCc1ccc(O)cc1O)OCc1ccccc1	1943955350	QKYDCTBJLJWLFB-QZTJIDSGSA-N	372.421	2.271	10	10	FECE	
CN1CCc2cc([C@@H](CN)N3CC(C)(NC(=O)OC(C)(C)C)C3)ccc21	1880570008	BIRWSMHFLXJVOY-QGZVFWFLSA-N	360.502	2.278	10	10	FECE	
CN1C(=O)[C@H](N)c2ccc(N3CCCN(Cc4ccccc4)CC3)cc21	324012555	LNNZBLCLXIKJFI-HXUWFJFHSA-N	350.466	2.375	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2073249910	GQBJZMXVSXZLFQ-STQMWFEESA-N	355.439	2.201	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)Nc2ccc(N)cc2)C1	2106292709	UIEZLHRKCKTLIB-GOSISDBHSA-N	364.446	2.416	10	10	FECE	
CN1CCc2cc([C@H](N)[C@@]3(O)CC[C@@H](NC(=O)OC(C)(C)C)C3)ccc21	2106851487	UOLZPUAYDLFLRH-OXFYSEKESA-N	361.486	2.487	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1CN(C(=O)c1cccc(O)c1O)C2	2226533293	YESIRNACZTWRDO-DYEKYZERSA-N	362.426	2.473	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1	2288269268	ZXWIWGNLPCUSJR-LRDNONRASA-N	374.485	2.442	10	10	FECE	
CCn1c(C(Cl)=Cc2cn(C)c(=O)n(C)c2=O)nc2c(F)cccc21	2297481033	RGNBASKJHVYRMF-UHFFFAOYSA-N	362.792	2.330	10	10	FECE	
C[C@@H](O)[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S	2323823668	DEFXSMHZBJNPTD-RDDDGLTNSA-N	357.840	2.375	10	10	FECE	
C[C@@H](c1cc(Br)ccc1O)N1CC[C@@H]2CS(=O)(=O)C[C@@H]21	2354099615	RTVBNTYAYYDKQB-CWSCBRNRSA-N	360.273	2.335	10	10	FECE	
CC(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)nc1	1264822514	UGORYWNZPXUIHT-AWEZNQCLSA-N	368.437	2.368	10	10	FECE	
CS(=O)(=O)C[C@@H](NCc1cc([N+](=O)[O-])ccc1O)c1ccccc1	121708069	CPMBKPGNACHRKB-OAHLLOKOSA-N	350.396	2.176	10	10	FECE	
Cc1ccccc1CC(=O)N1CCN(C(=O)c2ccc(C)c(O)c2O)CC1	182277533	SOQNPEWODVBCEI-UHFFFAOYSA-N	368.433	2.242	10	10	FECE	
COCCN(C(=O)/C=C\c1cnn(C)c1C)c1ccc(OC)c(OC)c1	255883244	JKPVRDKFFLPDIH-TWGQIWQCSA-N	359.426	2.439	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccc(Cl)cn1	287567863	YGDSUBHVYOMPMR-UHFFFAOYSA-N	360.845	2.076	10	10	FECE	
CCOC(=O)c1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)[nH]c1C	294203255	BTDJZVDRHXHETP-UHFFFAOYSA-N	371.437	2.471	10	10	FECE	
CC(C)C[C@H]1C(=O)N(Cc2ccc(N3CCOCC3)c(F)c2)C(=O)N1C	292489614	OCVKWJBSMAKCHK-KRWDZBQOSA-N	363.433	2.471	10	10	FECE	
CC(=O)C(=O)COC(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1	808527340	FASKCDRRPDRWKA-LBPRGKRZSA-N	355.431	2.361	10	10	FECE	
Cc1cc(C(=O)NC[C@H](CO)c2cccnc2)c(C)n1-c1ccccn1	807849010	HBIJMJZJSRGXAY-QGZVFWFLSA-N	350.422	2.390	10	10	FECE	
COc1ccc(N2CCN(c3cc(OC)c(OC)cc3[N+](=O)[O-])CC2)nc1	829538859	GOQHPWHSDOJBPC-UHFFFAOYSA-N	374.397	2.342	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)Cc3cn4c(n3)CCCC4)C2)cc1	846265261	DTPFTWPYWRJLLE-MRXNPFEDSA-N	368.481	2.413	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3nnc(-c4ccco4)o3)cc2)CC1	918840322	ZVSWWFDGEMKXMA-UHFFFAOYSA-N	367.409	2.011	10	10	FECE	
O=C(/C=C\c1cnc2ccccc2n1)OCC(=O)c1ccc(O)c(O)c1	916594003	HSIYQDYYOMNFGD-VURMDHGXSA-N	350.330	2.480	10	10	FECE	
CC[C@@H](C[C@](C)(O)CC)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	925055967	QVGACJXNDAWOKK-PKOBYXMFSA-N	368.543	2.341	10	10	FECE	
Cn1nc2c(c1CNCc1cc(F)c(N3CCOCC3)c(F)c1)CCC2	922175972	APKLWAZCCZYISS-UHFFFAOYSA-N	362.424	2.313	10	10	FECE	
CC[C@H](NC[C@H](O)CS(C)(=O)=O)c1cc(Cl)cc(Cl)c1O	927021048	ADXMASFNTQXUHQ-CABZTGNLSA-N	356.271	2.145	10	10	FECE	
CS(=O)(=O)c1ccccc1CCNC(=O)N1Cc2cccc(O)c2C1	926330174	FJHYRQHQNZVKFZ-UHFFFAOYSA-N	360.435	2.064	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3CO[C@@H](C4CC4)C3)C2)cc1	858552905	XBYHXNYBNIMAAY-SIXWZSSISA-N	359.470	2.388	10	10	FECE	
O=C(COC(=O)c1cccc(O)c1O)NCCc1cccc2cccnc12	758572770	NGQVXLQNGAQUSX-UHFFFAOYSA-N	366.373	2.162	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)cc1	858201898	ZJCZTRAYMGDZLB-DCXXXQMHSA-N	372.465	2.212	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc(-n4cnnc4)cc3)C2)cc1	855228440	AESNWKQEJOXMGM-MRXNPFEDSA-N	363.421	2.285	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cnn(C)c3C(F)F)C2)cc1	855229117	HSTYTTJDAFYEGV-NSHDSACASA-N	350.369	2.375	10	10	FECE	
Cc1noc([C@@H]2OCC[C@@H]2NCc2ccc(Br)cc2O)n1	862545427	SEUQLUBVPMRNIN-WCQYABFASA-N	354.204	2.466	10	10	FECE	
COC(=O)CCCCC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	779798609	HHHIAVOYOUAACK-UHFFFAOYSA-N	352.406	2.216	10	10	FECE	
Cc1cc(C(=O)N2CCO[C@H](C(=O)C3CC3)C2)c(C)n1-c1ccccn1	791254703	MGOKQELQXLHDQG-KRWDZBQOSA-N	353.422	2.309	10	10	FECE	
O=C(O)[C@H]1OCC[C@H]1CNCc1cc(Cl)cc(Br)c1O	708107217	YUGCPEVNCBFWCI-MADCSZMMSA-N	364.623	2.387	10	10	FECE	
C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N(C)CCCO	799365142	RLUHOEDEIZYNKS-CYBMUJFWSA-N	366.417	2.103	10	10	FECE	
CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1c(F)cc(CN)cc1F	711769885	AMIKNIYNAXSHMS-HXUWFJFHSA-N	361.436	2.497	10	10	FECE	
C[C@H](N[C@H](C)c1nc(N)nc(Cl)n1)c1ccc(N2CCOCC2)cc1	1307641311	FOFCRRZVDZBHRH-NWDGAFQWSA-N	362.865	2.356	10	10	FECE	
Cc1nc([C@H]2COCCN2C(=O)c2cc3cc(O)c(O)cc3s2)no1	1154121192	IYXZMUZMJWNYQR-SNVBAGLBSA-N	361.379	2.218	10	10	FECE	
CS(=O)(=O)NCC1CCN(Cc2ccc(N3CCCC3)cc2)CC1	1323701600	WBZJVHWFQVVYDB-UHFFFAOYSA-N	351.516	2.048	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CC[C@@H]1[C@@H]1CCCOC1	1519473612	IPJLSBSSOICXFH-YLJYHZDGSA-N	373.497	2.358	10	10	FECE	
CCN1CCCN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)CC1=O	1515879784	PUYHTXCLNGUPBT-UHFFFAOYSA-N	370.501	2.068	10	10	FECE	
CCO[C@@H]1COCC[C@@H]1CC(=O)N(C)CCN(C)c1ccc(OC)cc1	1527596003	QYDYYGMXBUMOKF-VQIMIIECSA-N	364.486	2.422	10	10	FECE	
C[C@H]1CC[C@H]1NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136261867	OVJRSEVEMQURQC-YUTCNCBUSA-N	364.442	2.448	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@]12CCCC[C@@H]1NC(=O)C2	1470555717	HMXBLRNCQDENTQ-FYINFDKHSA-N	372.513	2.493	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1CCSCCCO	1546421800	SXLSQWPIYLCSSV-UHFFFAOYSA-N	350.488	2.298	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)cc1	1639194600	UXGNCOBMSIDPQZ-LJQANCHMSA-N	365.393	2.118	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(-n2nnnc2C)cc1	1568737616	FXVNHGNJMIPNKB-UHFFFAOYSA-N	358.398	2.092	10	10	FECE	
CCCNC[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1OCC	1692053205	ZZRGQOKHTMFSIY-GDBMZVCRSA-N	361.446	2.326	10	10	FECE	
CN(C)c1ccc([C@H](NC(=O)CC[C@@H]2CCCN2)c2nccn2C)cc1	1866260142	GSHAQWKXAGSAGU-LPHOPBHVSA-N	355.486	2.224	10	10	FECE	
COc1cccc2c(O)c3c(c(O)c12)C(=O)c1c(O)cc(O)cc1C3=O	140447990	UWWVMUSJXQWJOE-UHFFFAOYSA-N	352.298	2.446	10	10	FECE	in-vitro
COc1ccc(Br)c(CN[C@H](C)CCS(C)(=O)=O)c1O	1964587765	IDQFHKCNLPJPKB-SECBINFHSA-N	366.277	2.076	10	10	FECE	
CC(C)(C)OC(=O)NCC[S@](C)(=O)=NC(=O)Nc1ccc(N)cc1	1999443086	QXJNKFNVRCRCDL-DEOSSOPVSA-N	356.448	2.423	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3NC(=O)c1ccc(O)c(O)c1	2169551154	IMKVRCPXZHDHHA-PMUIAIRXSA-N	374.437	2.472	10	10	FECE	
CO[C@]1(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)CCN(C(=O)OC(C)(C)C)C1	2060616686	DPSIMNPEYIQOCF-MLGOLLRUSA-N	353.423	2.314	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)NCCCCN=[N+]=[N-]	2060609922	BDEBWWMRQABVMT-QWHCGFSZSA-N	355.439	2.465	10	10	FECE	
C[C@H](COCC(=O)N1CCC[C@@H](CN=[N+]=[N-])C1)NC(=O)OC(C)(C)C	2060634574	BJROYGBGLWAPJF-OLZOCXBDSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)C[C@H]1C[C@H](N)C1	2112570865	GVYMBXZPTFVKJZ-JYJNAYRXSA-N	360.454	2.388	10	10	FECE	
O=S(=O)(CCCNCc1cc(Br)ccc1O)C(F)F	2229334483	ZULPKIQBVUNBKB-UHFFFAOYSA-N	358.204	2.272	10	10	FECE	
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)OCO4)C2=O)cc1	2294134212	WXCPVQPBCWENCR-UHFFFAOYSA-N	350.330	2.390	10	10	FECE	
COC(=O)C1=C(C)NC(=O)C1=Cc1cc(Br)ccc1OC	2297334140	GKVQORFXRPZOOG-UHFFFAOYSA-N	352.184	2.418	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C1(C(=O)O)CN(C(=O)OC(C)(C)C)C1	2322160851	DXBIALPXRAVCAG-GFCCVEGCSA-N	350.415	2.459	10	10	FECE	
COc1ccc(N(C)[C@@](CF)(CNC(=O)OC(C)(C)C)C(=O)O)cc1	2324321228	BTQWCERLIZWDNE-KRWDZBQOSA-N	356.394	2.449	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	109986642	YFRRHYVLGMVQBJ-ZDUSSCGKSA-N	373.365	2.157	10	10	FECE	
Cc1ccccc1C(=O)NCC(=O)NCc1ccc2c(c1)CCCN2C	57558799	KLGANNBZOXJLNN-UHFFFAOYSA-N	351.450	2.424	10	10	FECE	
CCN(CCO)C(=O)CN1C(=O)/C(=C\c2cccc(C)c2)SC1=S	210485701	IELMAJXKZDIYDI-GXDHUFHOSA-N	364.492	2.037	10	10	FECE	
O=C(O)CCN(CCCO)Cc1cc(Cl)cc(Br)c1O	2368563175	LVAHCTPXEYQLHC-UHFFFAOYSA-N	366.639	2.467	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)C3[C@H]4[C@H]5CC[C@@H](C5)[C@H]34)cc2)CC1	248679833	CGZRUVWTXRZMHR-ZULIPRJHSA-N	367.493	2.263	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)CCN(C)C)C1	444263561	GWJOJYUNKNNANX-UHFFFAOYSA-N	356.514	2.428	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCC23COC3)C1	615923942	VFPABFHRBTXPRK-UHFFFAOYSA-N	353.466	2.409	10	10	FECE	
CC(C)(C)OC(=O)NCC1CN(C(=O)c2ccn(-c3ccc(N)cc3)n2)C1	2162998399	DMHRGVMCCIUUAJ-UHFFFAOYSA-N	371.441	2.051	10	10	FECE	
Cc1cnc(COC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)nc1	808487184	CXOYYDVTUPPZLH-UHFFFAOYSA-N	373.368	2.500	10	10	FECE	
NC(=O)C1CCN(c2ccc(CN[C@@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)cc2)CC1	903092288	BZZKKFSVKPDOTD-WRTQPQOASA-N	369.509	2.291	10	10	FECE	
C[C@@H](NC(=O)COc1ccc(O)cc1)c1ccc(N2CCOCC2)cc1	746167839	JSVZHZCREAKRST-OAHLLOKOSA-N	356.422	2.485	10	10	FECE	
COc1cc(Br)cc([C@@H](C)N[C@@H]2CC[C@H](C(N)=O)C2)c1O	848553281	SIFHXVWKRRZZNA-WCABBAIRSA-N	357.248	2.468	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C1CC1)[C@H]1CCCCO1	848938750	QIICRUZOEVCEHD-MOPGFXCFSA-N	373.497	2.175	10	10	FECE	
C[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CCS1	929804262	LEVQIUWNFLCJGU-XJKSGUPXSA-N	361.511	2.086	10	10	FECE	
Cc1ccc(O)c(CNC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)c1	858498867	WSYBUMKDJFLSMQ-CQSZACIVSA-N	360.435	2.071	10	10	FECE	
Cc1cc(CC(=O)N[C@@H]2CCc3c(nnn3C)C2)c(C)n1-c1ccccc1	855051120	OYQDFSUFSOPVDF-QGZVFWFLSA-N	363.465	2.439	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)c3nnc(C4CC4)o3)cc2F)CC1	865929250	DJIBGRYWUXSEBO-UHFFFAOYSA-N	373.432	2.158	10	10	FECE	
Cc1cc(C(=O)NCCc2nnnn2C)c(C)n1-c1cccc(Cl)c1	772877537	QKYSMJQHSIFWKF-UHFFFAOYSA-N	358.833	2.244	10	10	FECE	
O=C(CC[C@H]1CC[C@H](C2OCCO2)O1)NCCCSc1nccs1	896334379	MMPONKGLNUIXQU-CHWSQXEVSA-N	372.512	2.442	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccnc4[nH]c(C)nc34)CC2)cc1F	797923767	VORIDZRRRHNBBB-UHFFFAOYSA-N	369.400	2.376	10	10	FECE	
C[C@H]1SCCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)[C@@H]1C	1246303895	SEPDBCXSLVHTME-HZPDHXFCSA-N	362.543	2.474	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C(C)=C/c1cccnc1	1329904168	IIPJRFYAHLKORU-WQMJKPAKSA-N	370.405	2.187	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)c2cnn(CCN(C)C)c2)cc1F	1293224849	HEENMPNGTXKGRW-UHFFFAOYSA-N	361.465	2.360	10	10	FECE	
O=C(NCc1c(O)cccc1F)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1	1456086633	GEQZTDHXYDIMKZ-JTQLQIEISA-N	364.323	2.479	10	10	FECE	
Cn1cc(Br)c(CNC(=O)c2ccc(N=NC(N)=O)cc2)n1	1468202116	ZSTKYNAZEBZBBH-UHFFFAOYSA-N	365.191	2.275	10	10	FECE	
CC(C)C[C@H](CO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1479534995	QWYLGBZJXVHKOR-AEFFLSMTSA-N	350.507	2.062	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)c3cnc4c[nH]nc4c3)CC2)cc1	1545931643	PVZKCADYKUEFGX-UHFFFAOYSA-N	351.410	2.319	10	10	FECE	
CCCOc1ccnc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)n1	1622438179	JVZXTXKPSVEAAD-UHFFFAOYSA-N	370.453	2.165	10	10	FECE	
Cc1nnc(N(C)Cc2ccon2)n1Cc1ccc(N2CCOCC2)cc1	1726359139	BMPUSYKJGCIOAO-UHFFFAOYSA-N	368.441	2.096	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)c1ncccc1O	1630709231	CVAAOAASMDJYIL-UHFFFAOYSA-N	370.453	2.020	10	10	FECE	
CCOC(=O)C1(NCC(=O)NCc2ccc(N(C)C)cc2)CCCCC1	1644832741	IUDOCCUABNDBAN-UHFFFAOYSA-N	361.486	2.224	10	10	FECE	
O=C(NCc1c(O)cccc1F)C1=NN(Cc2ccc(F)cc2)C(=O)CC1	1645048370	SMQJWOAWKAKGHI-UHFFFAOYSA-N	373.359	2.465	10	10	FECE	
Cc1ccc(N2C[C@H](C(=O)NCc3c(O)cccc3O)CC2=O)cc1C	1652622901	IVIYEWJMLFYSKD-CQSZACIVSA-N	354.406	2.384	10	10	FECE	
O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(F)c(F)c2)SC1=S	1858595732	HKDPGYUQDQVIFL-BZFUBLJMSA-N	373.358	2.094	10	10	FECE	
CCCCNS(=O)(=O)c1ccc2[nH]c(O)c(/N=N/C(N)=S)c2c1	2037547950	GRDQXRGYQVFTIG-ISLYRVAYSA-N	355.445	2.279	10	10	FECE	
CCN(c1ccc(CN)c(Br)c1F)[C@H](C)CS(C)(=O)=O	2170425656	TXHVRNSLEOBXSF-SECBINFHSA-N	367.284	2.306	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(CNC(=O)Nc2ccc(N)cc2)CCOC1	2044250697	UPOOCQAYJWZMET-KRWDZBQOSA-N	350.419	2.074	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NCCOc2ccc(N)cc2)C1	2044671757	ITAOZTIYGQKYTI-PWECECGKSA-N	369.487	2.413	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@]12COCCN(CCCN=[N+]=[N-])C2	2054254989	HGAGTYAPMFAUCP-INIZCTEOSA-N	355.439	2.025	10	10	FECE	
C[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1CNC(=O)OC(C)(C)C	2054398681	BQTICYXBPUGARV-YPMHNXCESA-N	350.415	2.331	10	10	FECE	
COC(=O)c1cccc(N)c1N[C@H]1COC[C@@H]1CNC(=O)OC(C)(C)C	2108838402	RERXLPJPIOTBAP-FZMZJTMJSA-N	365.430	2.007	10	10	FECE	
O=C1N=C(N2CCNCC2)SC1=Cc1cc(Br)ccc1O	2313830427	MHKHXAWFWLQKCN-UHFFFAOYSA-N	368.256	2.030	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1[C@@H]2C[C@@H]2CN1c1cc2c(cc1N)OCCO2	2332557875	YBIAMWLBWILCRG-JMSVASOKSA-N	361.442	2.389	10	10	FECE	
O=C(NCCCn1cccn1)c1cccc2c1C(=O)c1ccccc1C2=O	175302585	KUXAUAQHOCKBSZ-UHFFFAOYSA-N	359.385	2.479	10	10	FECE	
Cc1cccc(S(=O)(=O)N2CCN(c3ccc4c(c3)OCO4)CC2)c1	33694241	IGFPYMJSUZASAO-UHFFFAOYSA-N	360.435	2.235	10	10	FECE	
Cc1cc(CN2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)on1	122362994	YHSZUJDQKBDECU-UHFFFAOYSA-N	356.470	2.137	10	10	FECE	
CC(=O)N1C(=O)/C(=C2/SC(Nc3cccnc3)=NC2=O)c2ccccc21	35638323	OJCSOCKXGPPFTD-CCEZHUSRSA-N	364.386	2.427	10	10	FECE	
NC(=O)c1ccc(NC(=S)NCc2ncccc2Br)cc1	242460187	BQMREPKRPGVIQP-UHFFFAOYSA-N	365.256	2.430	10	10	FECE	
CNC(=O)NC[C@@H]1CN(Cc2cc3oc4ccccc4c3cc2O)CCO1	530104772	OVVVBEWZMFDJPE-CQSZACIVSA-N	369.421	2.421	10	10	FECE	
CC(C)(C)OC(=O)N1CCn2[nH]c(=NC(=O)Nc3ccc(N)cc3)cc2C1	2162574040	QCYADRDNBANWIG-UHFFFAOYSA-N	372.429	2.282	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)NCc3ncccc3O)C2)cc1	823733224	LKSBBPKIWAONJX-CQSZACIVSA-N	356.426	2.122	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCc3ccc(S(N)(=O)=O)cc32)cc1	835047138	PCOQVXQWVGZQGW-ONEGZZNKSA-N	357.479	2.476	10	10	FECE	
CCO[C@@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)cc2C)[C@H]1n1cccn1	836494426	HYOZTPVLNKXDES-IPMKNSEASA-N	371.485	2.475	10	10	FECE	
CN(C)[C@H]1C[C@@H](CNC(=O)NCc2cccc(Br)c2O)C1	847411373	GMWCEJRVDPCKSF-KLPPZKSPSA-N	356.264	2.294	10	10	FECE	
O=C(NCc1cc(Cl)ccc1O)C(=O)Nc1cnc(CC2CC2)nc1	846122260	SXKNACUMTNMAOB-UHFFFAOYSA-N	360.801	2.043	10	10	FECE	
C[C@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccnc1	746147511	PJAHCOYBHQTTKG-MAUKXSAKSA-N	366.465	2.203	10	10	FECE	
COc1ccc(N2CCC(NCCCCCN3CCNCC3)CC2)cc1	925846797	UJMWMYYGEWLVNT-UHFFFAOYSA-N	360.546	2.329	10	10	FECE	
CNCCCC(=O)N1CCC(N[C@H](C)c2cc(F)cc(F)c2O)CC1	854230638	ATWZPMMMGBICFS-GFCCVEGCSA-N	355.429	2.312	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)C2)cc1	855227845	QJDOYFJUMYOISC-GFCCVEGCSA-N	357.366	2.318	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@H](CO)Cc3ccccc3)C2)cc1	852451532	MVEHROFXJCPWQY-MSOLQXFVSA-N	369.465	2.177	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)c2c[nH]nc2[C@H]2CCNC2)cc1F	852805451	ZOTWHQSHYKHPPH-AWEZNQCLSA-N	359.449	2.402	10	10	FECE	
CC[C@H]1CN(CC)CCN1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	854297898	SVBFNRFRUFSEHQ-SJORKVTESA-N	360.502	2.400	10	10	FECE	
C[C@@]1(Br)C[C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	858625992	JJGXWOYVWJUVQN-BLLLJJGKSA-N	371.250	2.452	10	10	FECE	
CCOC(=O)N[C@H](C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(C)C	855232315	PRBOHSIDQREFNA-PBHICJAKSA-N	363.458	2.161	10	10	FECE	
COCCC1(NC(=O)c2csc(Cc3ccc(N)cc3)n2)CCNCC1	868043712	RJWBUCBMCKHILZ-UHFFFAOYSA-N	374.510	2.205	10	10	FECE	
COc1cccc([C@@H]2CN(Cc3cc4c(cc3O)OC[C@@H]4O)CCO2)c1	768462507	MDHPGTMUJADKGM-ICSRJNTNSA-N	357.406	2.400	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1C[C@H](C)O[C@H]1C	867223641	POSXLAXEARKVEF-COPLHBTASA-N	355.818	2.361	10	10	FECE	
O=C1N[C@H](C[C@@H]2CCCOC2)C(=O)N1Cc1ccc(N2CC=CC2)cc1	863506152	ZBDFXRLQAWTAML-FUHWJXTLSA-N	355.438	2.300	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCSC3(CCC3)C2)cc1	1119713146	LOQJWRVJYXLVJG-OAHLLOKOSA-N	361.511	2.303	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC3(CCN(C)C3=O)CC2)c([N+](=O)[O-])c1	770176372	AIDAJZAWYMOOEF-XQRVVYSFSA-N	373.409	2.230	10	10	FECE	
CS(=O)(=O)N1CCCc2cc(C(=O)N3Cc4cccc(O)c4C3)ccc21	871199350	XFOSAHNOIJJMSQ-UHFFFAOYSA-N	372.446	2.260	10	10	FECE	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCOCC[C@@H]2C)c1	774651159	VCVYMPUIXYNFMV-HNNXBMFYSA-N	362.470	2.038	10	10	FECE	
Cn1cc(CN2CCN(C(=O)c3cc4cc(O)c(O)cc4s3)CC2)cn1	896207138	UGQVAUGTGVXWHY-UHFFFAOYSA-N	372.450	2.004	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)NCc3nc(O)cc(O)n3)c2C)cc1	1149277351	JSBNAOXALOCNHP-UHFFFAOYSA-N	368.393	2.234	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1	1153879601	RDNRVBQAXIBERR-INIZCTEOSA-N	368.433	2.195	10	10	FECE	
CCS(=O)(=O)Nc1cccc(C(=O)NCc2c(O)cccc2F)c1	1156164155	OZOQHKQSQASFDA-UHFFFAOYSA-N	352.387	2.223	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)NCc3nc(C(N)=O)co3)c2C)cc1	1166216248	NLHQLFNQRMZCHR-UHFFFAOYSA-N	368.393	2.120	10	10	FECE	
COC[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)cc(Br)c1O	1334375898	SCCDEPGYWLPVOS-WDEREUQCSA-N	350.640	2.390	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)c3ncccc3OC)cc2F)CC1	1265012217	RWKPOSCLEVDLNS-UHFFFAOYSA-N	372.444	2.301	10	10	FECE	
COc1ccc(CN[C@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)c(O)c1	2133756497	XCMDJUSIXPDXDO-LJQANCHMSA-N	366.458	2.252	10	10	FECE	
COC(=O)C[C@](C)(NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccncc1	1296811223	DPHUIYFXFOQCEM-SFHVURJKSA-N	369.381	2.452	10	10	FECE	
C[C@H]1C[C@H]1N(C)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136241517	ZXRCZAKQFNHFEU-FPMFFAJLSA-N	364.442	2.400	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3N)CC2)cc1F	1294825499	XBYJSHCABODBSP-UHFFFAOYSA-N	374.372	2.287	10	10	FECE	
Cc1cc(C(=O)NCc2ccnc(-n3cncn3)c2)c(C)n1-c1ccccn1	1454685429	GYRGEPZMMQZARA-UHFFFAOYSA-N	373.420	2.395	10	10	FECE	
Cc1cc(CNC(=O)CN2CCCCC(=O)C2=O)c(C)n1-c1ccccc1	1531622609	SMJROFJECFXYHK-UHFFFAOYSA-N	367.449	2.292	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@]3(O)[C@H](N)c1ccccc1O	1920058991	GJXDPKOQTWJXQQ-UXVBHLNSSA-N	360.454	2.398	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](NCc3ccc(O)c(O)c3)CO2)C1	2137110272	GSXFMCQFBWRAFJ-LIRRHRJNSA-N	364.442	2.356	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1Cc1ncnn1C(C)(C)C	1707861808	WFKMNPVHNZYZNP-UHFFFAOYSA-N	355.446	2.323	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2cccc3[nH]ccc23)c1	1636427714	KHJBSJMESWCCBH-UHFFFAOYSA-N	359.407	2.175	10	10	FECE	
CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H](C)CS(=O)(=O)CC	1633698596	MPDQNWUQFGTTGC-NSHDSACASA-N	354.432	2.134	10	10	FECE	
O=C(CS[C@H]1CCS(=O)(=O)C1)NCc1c(O)ccc2ccccc12	1635964846	BDPWCNALZICXMZ-ZDUSSCGKSA-N	365.476	2.082	10	10	FECE	
Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1NC(=O)CCN(C)C	1567300770	ANNRSJYCIVPQBX-UHFFFAOYSA-N	371.437	2.478	10	10	FECE	
C[C@H]1OCC[C@@]1(O)Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O	1743382444	GKHWNPIVQBLYLQ-BFUOFWGJSA-N	358.442	2.037	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)NC[C@]3(C)CCCC[C@@H]3O)cc2)CC1	1675580728	SVSRGFOVMZGHSL-FPOVZHCZSA-N	374.529	2.179	10	10	FECE	
O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccn2nnnc2c1	1874179791	PRLPFIKBKJGRFU-UHFFFAOYSA-N	369.340	2.152	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCC[C@H]2CN=[N+]=[N-])C[C@H](O)C1(C)C	1879106967	NBYWCUCMPWOETP-NVGCLXPQSA-N	367.450	2.342	10	10	FECE	
O=C1C(=Cc2ccccc2F)SC(=S)N1CCN1CCOCC1	2040496921	XMMBFNFFMIVKIL-UHFFFAOYSA-N	352.456	2.359	10	10	FECE	
CN(C(=O)CN1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)c1ccc(N)cc1	2188879580	SWFGHELNUUZMHP-YOEHRIQHSA-N	374.485	2.173	10	10	FECE	
C[C@@H](CCNC(=O)COc1ccc(N)cc1)N(C)C(=O)OC(C)(C)C	2044226440	JFBVGVMNSVCSTC-ZDUSSCGKSA-N	351.447	2.409	10	10	FECE	
C[C@H](NCC1(CNC(=O)OC(C)(C)C)COC1)c1ccc(O)cc1O	2056738804	IRUPVXVYNJGITD-LBPRGKRZSA-N	352.431	2.290	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccnn1C	2060621566	OVDFKNCZDSLJAS-GFCCVEGCSA-N	351.411	2.145	10	10	FECE	
C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)CCc1ccc(N)cc1	2106703774	UCYPWTYXDKXNJK-SMDDNHRTSA-N	357.376	2.259	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(c3cc4c(cc3N)NC(=O)CC4)C[C@@H]21	2107816946	IUPPQMFQDLYQPP-DPIQGUFMSA-N	358.442	2.113	10	10	FECE	
CN[C@@H](c1ccccc1O)[C@H]1Cn2cnnc2CN1C(=O)OC(C)(C)C	2090042552	MRGGJEQHWGWVRS-CJNGLKHVSA-N	359.430	2.064	10	10	FECE	
COc1cccc(CNCC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1O	2208902923	YDBFALXKRISDRE-LJQANCHMSA-N	366.458	2.252	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC(C)(C)[C@@H]1C(=O)NCc1ccccc1O	2265125831	PIZVKTAWRIKCGS-HNNXBMFYSA-N	364.442	2.423	10	10	FECE	
O=C1NC(=O)N(c2ccccc2F)C(=O)C1=Cc1nc2ccccc2[nH]1	2296098636	FJAOIYWOMQELFE-UHFFFAOYSA-N	350.309	2.368	10	10	FECE	
CC(=O)NCCCN1C(=O)C(=Cc2ccccc2[N+](=O)[O-])SC1=S	2323888683	CYHTWMGUIILHKB-UHFFFAOYSA-N	365.436	2.322	10	10	FECE	
CC(C)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1	36197149	BWRGAZWPZRUMCF-LJQANCHMSA-N	362.518	2.471	10	10	FECE	
CC(C)[C@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1)N1CCN(C)CC1	132388392	SDLBVSWXUROWKK-UGKGYDQZSA-N	374.573	2.446	10	10	FECE	
COc1cc(O)c(CN[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1OC	191807171	VJJGAWBAXYNMJK-MRXNPFEDSA-N	374.412	2.439	10	10	FECE	
CCS(=O)(=O)N1CC(CNCc2ccc(N3CCCCC3)cc2)C1	190294685	ARSCFXQBMITOMZ-UHFFFAOYSA-N	351.516	2.048	10	10	FECE	
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1cc(Br)ccc1O	805199448	SZRISMLUZWWGPX-QMTHXVAHSA-N	368.275	2.437	10	10	FECE	
Cc1ccc(CN2C[C@@H]3CCS(=O)(=O)[C@H]3C2)c(O)c1Br	2380713199	QHBABWWXTSJWFH-JQWIXIFHSA-N	360.273	2.082	10	10	FECE	
CN(CCN(C)C(=O)c1ccn(-c2ccc(N)cc2)n1)C(=O)OC(C)(C)C	2163054143	UUINOVSMGGYJTJ-UHFFFAOYSA-N	373.457	2.393	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cn(C)nc1C1CC1	291295483	JWVSDXRKXMJETN-UHFFFAOYSA-N	369.469	2.351	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N2C[C@H]3CC[C@H]2CN3)CCCC1	653165961	NKMYRVODOFUGNC-CABCVRRESA-N	353.466	2.492	10	10	FECE	
COC(=O)/C=C\c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)o1	823296572	XJHJFOITJFGMOR-CLFYSBASSA-N	370.405	2.232	10	10	FECE	
C[C@@H](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCO1	822687884	HKNVSAXCBAYECT-KSSFIOAISA-N	350.434	2.484	10	10	FECE	
COC(=O)CNC(=O)CN1CCCc2cc(OCc3ccccc3)ccc21	734639415	MMPLDQUXIBUZGR-UHFFFAOYSA-N	368.433	2.307	10	10	FECE	
CCn1c(C(=O)NCCc2ccc(O)c(O)c2)cnc1Br	901123303	RGWUVRCPQPTUGZ-UHFFFAOYSA-N	354.204	2.049	10	10	FECE	
Cc1cc(C(=O)COC(=O)Cc2ccnn2C)c(C)n1-c1ccc(F)cn1	837674755	UDPRTLFUQYDVSQ-UHFFFAOYSA-N	370.384	2.330	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N1C[C@H](O)C[C@H]1[C@H]1CCCOC1	837626406	KLAXNUFIXMRTGE-SXLOBPIMSA-N	373.497	2.358	10	10	FECE	
CN1CCN(c2ccc(CNC[C@@]3(CO)CCc4ccccc43)cc2)CC1	846010919	KGRMPYZLAWFZKF-HSZRJFAPSA-N	365.521	2.405	10	10	FECE	
Cc1cc(C(=O)CN2CC[C@H](CO)C2)c(C)n1-c1ccc2c(c1)OCO2	746462872	QSMFSQIDBCUVOP-HNNXBMFYSA-N	356.422	2.320	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)NCC1CCN(C2CCOCC2)CC1	855201154	OQJFNZBAPBLEJE-DUXPYHPUSA-N	360.454	2.118	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3nc(C)c(C)s3)C2)cc1	850537208	ODIBVJGVLWNUKW-CYBMUJFWSA-N	374.466	2.102	10	10	FECE	
CC(C)OC[C@H](N)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	851630542	NELLXLFXXXSMNG-INIZCTEOSA-N	371.428	2.125	10	10	FECE	
Cc1ccc(O)c(CNC(=O)C(=O)Nc2cc(C)n([C@@H](C)C3CC3)n2)c1	862025857	ROSJFMINOIXDPM-ZDUSSCGKSA-N	356.426	2.431	10	10	FECE	
CN(C[C@@H]1COc2ccccc2O1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	761873006	HQRYYKIXDSTEOM-LLVKDONJSA-N	371.349	2.202	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)O[C@H](C)COC)cc2F)CC1	866746718	DPRDJDUZHVUZIW-CQSZACIVSA-N	353.438	2.229	10	10	FECE	
Cc1ccc(O)c(CN2CC(S(=O)(=O)N3CCc4ccccc43)C2)c1	779623318	AGYHBIWRMFAHLD-UHFFFAOYSA-N	358.463	2.277	10	10	FECE	
COC(C)(C)[C@@H](C)NC(=O)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	1119880670	UBBBUMFDVQWIIN-HUUCEWRRSA-N	363.502	2.038	10	10	FECE	
CN(C)c1ccc(CN2CC(C3CS(=O)(=O)C3)C2)c(C(F)(F)F)c1	895426785	AXYKIEZHCWZQPP-UHFFFAOYSA-N	362.417	2.248	10	10	FECE	
C[C@@H]1C[C@H](C(=O)NCCc2ccc(O)c(O)c2)N(C(=O)OC(C)(C)C)C1	2124308398	PNMOIZMYWONDQR-TZMCWYRMSA-N	364.442	2.402	10	10	FECE	
COc1ccc([C@H](C)N=c2[nH]ccnc2I)c(O)c1	2121641201	CKVNMVXORKGPHA-QMMMGPOBSA-N	371.178	2.390	10	10	FECE	
CCN(CC)c1ccc(Cn2c(C)nnc2N2CCC[C@H](C(N)=O)C2)cc1	1501835638	ZIHHGDYSKBLDIN-KRWDZBQOSA-N	370.501	2.183	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H](N(C)C)C3)cc2)CC1	1455228484	XDCRATFJKVANOK-UYAOXDASSA-N	358.530	2.175	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cn2ccccc2n1	1299699361	IQDMDIFPYFQRMX-UHFFFAOYSA-N	353.378	2.245	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1	1478293875	FXNLSPRXFVEQMK-KRWDZBQOSA-N	370.497	2.439	10	10	FECE	
COc1cccc(CNC(=O)c2cc(Br)cnc2O)c1O	1545684037	IDXFGCXSWWIBPK-UHFFFAOYSA-N	353.172	2.194	10	10	FECE	
C[C@@H]1Oc2ccccc2N(CC(=O)NCc2cc(Cl)ccc2O)C1=O	1628666926	MSBYKFDSKVKQRM-NSHDSACASA-N	360.797	2.476	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCO[C@@](C)(C(F)(F)F)C2)cc1	1620515055	XUSNUDXBPHNDOS-MRXNPFEDSA-N	359.392	2.022	10	10	FECE	
O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cccc(O)c1F	1626619046	KMZBDQKENCIJNO-UHFFFAOYSA-N	364.398	2.018	10	10	FECE	
CNS(=O)(=O)c1cc(C(=O)NCc2cccc(Cl)c2O)ccc1F	1637227028	KCQXRIFFGSSLHU-UHFFFAOYSA-N	372.805	2.023	10	10	FECE	
CS(=O)(=O)c1ccc(F)c(CNC(=O)N2Cc3cccc(O)c3C2)c1	1672078839	HJTLXCAOFYRSAW-UHFFFAOYSA-N	364.398	2.160	10	10	FECE	
CS(=O)(=O)C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1	154936670	YUPQHENNODYXFF-FQEVSTJZSA-N	374.506	2.399	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@@H]1c2ccccc2C[C@H]1O	159896022	BKDMPDSOKPOMHE-PTEZDTNWSA-N	364.445	2.311	10	10	FECE	
CC(=O)NCCCN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S	1858591316	CYHTWMGUIILHKB-UKTHLTGXSA-N	365.436	2.322	10	10	FECE	
CN[C@H](c1ccccc1O)[C@@H]1[C@@H](OC)[C@@H](OC)CN1C(=O)OC(C)(C)C	2140528691	WCEIQMRDEJODJB-HZMVEIRTSA-N	366.458	2.302	10	10	FECE	
C[C@H](NC(=O)CN(CCN(C)C)C(=O)OC(C)(C)C)c1ccccc1O	1877574592	YOZIBUVKRUHPKT-AWEZNQCLSA-N	365.474	2.368	10	10	FECE	
C[C@H](O)c1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@H]32)c(Br)c1	2151274886	UZIVHEMSEDDNKV-DRCTWCGVSA-N	360.273	2.126	10	10	FECE	
COc1ccc(O)c(CNC[C@@]2(NC(=O)OC(C)(C)C)CCOC2)c1	711192286	RHMCMIOJFKXHNR-SFHVURJKSA-N	352.431	2.174	10	10	FECE	
CCS(=O)(=O)[C@H]1CCN(Cc2cc(Br)cc(C)c2O)C1	2179906228	VOVLJMOWTWCOIX-ZDUSSCGKSA-N	362.289	2.472	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1	2044243945	OJRFSUJWFYKKPO-GJZGRUSLSA-N	369.487	2.134	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H](C(=O)N2CC[C@@H](N=[N+]=[N-])C2)O1	2073531660	WHYUQUDRQXGISD-FRRDWIJNSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CC(=O)C(=O)C[C@H]1C[C@H](N)C1	2080209927	FHPGIABKGOVONZ-SRVKXCTJSA-N	360.401	2.287	10	10	FECE	
C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCN1CC(=O)N(C)c1ccc(N)cc1	2106663029	VFCFVKSKVNLAIB-XJKSGUPXSA-N	362.474	2.219	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])CO1	2218737055	DOKHNVPSMTZDND-ZDEQEGDKSA-N	353.423	2.264	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NCc3ccc(O)c(O)c3)CO[C@H]1C2	2255114041	UUIOVMRRMUEGBX-MRAWALMUSA-N	350.415	2.012	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(c1cc3c(cc1N)OCCO3)C2	2272653957	AZJYWKPJKPWGRX-BUXKBTBVSA-N	361.442	2.391	10	10	FECE	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=CNc1ccc2c(c1)OCO2	2297317993	WGJBDYQYPTVKBH-UHFFFAOYSA-N	369.308	2.133	10	10	FECE	
Cc1n[nH]c(C)c1NC=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	2313547878	FHRVQWYHGLFVGY-UHFFFAOYSA-N	359.773	2.259	10	10	FECE	
COc1ccc(O)c([C@@H](C)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)c1	2331471439	RLYAQXNMMRQSOG-SRCQZFHVSA-N	366.458	2.422	10	10	FECE	
C[C@@H](NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCN1)c1ccccc1O	2343321994	NKGLCZBTBWAOAC-KGLIPLIRSA-N	363.458	2.168	10	10	FECE	
Cc1ccc(CN(C)[C@H](C)CS(C)(=O)=O)c(O)c1Br	2352948921	WIOYZQCEIZEQMJ-SNVBAGLBSA-N	350.278	2.328	10	10	FECE	
Cc1nc2cc(N/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)ccc2[nH]1	8535816	NUBJTUYLTQIACK-UVTDQMKNSA-N	361.361	2.450	10	10	FECE	
CN(C)c1ccc(CNS(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1F	177439689	XUGIBUQVSNYFLP-UHFFFAOYSA-N	371.365	2.418	10	10	FECE	
Cc1cc(O)cc(=O)n1[C@@H](C)C(=O)NCc1ccc2c(c1)CCCN2C	178179420	JPYYVZQMPKWPCQ-AWEZNQCLSA-N	355.438	2.122	10	10	FECE	
COC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)C1CCOCC1	187796982	OGUMMXVYWXVMEQ-GOSISDBHSA-N	352.450	2.194	10	10	FECE	
COCCN1[C@H](C)CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H]1C	124179998	BTWWIHHUXPOAII-HUUCEWRRSA-N	366.481	2.142	10	10	FECE	
CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCCC(=O)O	210466619	NNILKXIXMLUMRH-WQLSENKSSA-N	353.421	2.428	10	10	FECE	
COC(=O)c1cccc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)n1	823883912	DVJNYZJPQYWFAC-CYBMUJFWSA-N	370.409	2.277	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3[C@H]4CC[C@H]3[C@@H](CO)C4)C2)cc1	824688113	WEOVXAZKZGYSQV-HIRMHNASSA-N	359.470	2.076	10	10	FECE	
CCOc1ccc(O)c(CN2CCN(C(=O)c3cc(C)[nH]n3)C[C@H]2C)c1	835074784	VWLLZMGJTZVQGK-CQSZACIVSA-N	358.442	2.169	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2cc3c(nc2O)CCOC3)cc1	911894001	WAJYHYIROXCZDH-UHFFFAOYSA-N	371.437	2.077	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=N)NC[C@@H]3CCCO3)cc2F)C[C@@H](C)O1	849014546	SIUNADSOHUVGOD-LZWOXQAQSA-N	364.465	2.232	10	10	FECE	
Cc1cc(O)c(CN2CCN([C@H](C)C(=O)NC3CC3)CC2)c(Cl)c1	840910981	ZGKAEKSCUZAITN-CYBMUJFWSA-N	351.878	2.139	10	10	FECE	
CCCOc1ccc(CNC(=O)C(=O)Nc2ccc(N)cc2)cc1OC	841005086	FVIVRDMIHOYEAY-UHFFFAOYSA-N	357.410	2.321	10	10	FECE	
Cn1nccc1[C@@H]1COCCN1C(=O)NCCCSc1nccs1	845044272	AOYPGAKHZRHTMR-ZDUSSCGKSA-N	367.500	2.142	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1	840318413	IPECNONNVQSDMA-BVYOLEPJSA-N	372.513	2.301	10	10	FECE	
CC1(C)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H]2COC[C@H]2O1	845004331	ZLVRQJOQHSBLCW-QZTJIDSGSA-N	357.454	2.151	10	10	FECE	
O=C(Cc1ccc2c(c1)NCC2)NCc1ccc(N2CCC(O)CC2)cc1	852869008	SPKGRDGPELLWJD-UHFFFAOYSA-N	365.477	2.475	10	10	FECE	
COc1ccc(N2CC[C@H](CNCc3c4c(nn3C)CCOC4)C2)cc1	922195111	BFGFDWAUBPNFPX-OAHLLOKOSA-N	356.470	2.118	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](n4cccn4)C3)C2)cc1	852449626	VDRNQHSPCVBHAO-DOTOQJQBSA-N	355.442	2.127	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCOC1CCOCC1	922914205	GQSDNCHNONEFJB-INIZCTEOSA-N	363.502	2.487	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)C2)cc1	855225384	MNNHJQWFQXBHPM-LLVKDONJSA-N	374.372	2.333	10	10	FECE	
COc1ccc(N(CC(=O)O)CC(=O)NCC[C@]2(C)C[C@]2(F)Cl)cc1	853010555	FRQAQCHWQLVZMH-IAGOWNOFSA-N	372.824	2.407	10	10	FECE	
C[C@H](NC(=O)NCc1cccc(OCC(=O)N(C)C)c1)c1ccccc1O	868064367	WFSIUTIOUQDGMV-AWEZNQCLSA-N	371.437	2.420	10	10	FECE	
O=C1CN(Cc2ccccc2O)C(=O)N1Cc1cccc2c1CCOC2	865316770	GDLRFDLFPKZBNQ-UHFFFAOYSA-N	352.390	2.429	10	10	FECE	
c1cc(N2CCOCC2)ccc1CN[C@H]1CCCC[C@@H]1N1CCOCC1	763496773	VNGRCPYDUUKOKI-SFTDATJTSA-N	359.514	2.256	10	10	FECE	
COc1cc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)nn1C	775912206	ZULNPROAARCSLT-ZDUSSCGKSA-N	359.430	2.148	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cn(C[C@@H]2CCOC2)nn1	1124549734	OQUUUNBCAOTLTB-KRWDZBQOSA-N	369.469	2.187	10	10	FECE	
CNC(=O)C1(NCc2ccc(OCc3ccccc3)cc2O)CCOCC1	895885072	RLTPADWBGPZNFX-UHFFFAOYSA-N	370.449	2.356	10	10	FECE	
COc1cccc(CNC[C@H]2CN(C)CCN2Cc2ccccc2)c1O	694765065	IZWZHXJBHZEWSI-IBGZPJMESA-N	355.482	2.307	10	10	FECE	
C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO)c1cc(O)ccc1O	2116276206	ZNXXXSJOHZOOCA-XEZPLFJOSA-N	366.458	2.366	10	10	FECE	
Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CC[C@H](CN=[N+]=[N-])C2)cn1	2124536571	RTXQRNKWUPBIBB-DGCLKSJQSA-N	363.422	2.145	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C1	2124540765	LHRZKHYEIZSRQB-CXAGYDPISA-N	367.450	2.440	10	10	FECE	
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)CC(O)C1	2131461454	ZWCOZSYWKUCAAW-POZPTJLLSA-N	367.450	2.201	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@]34C[C@H]3COC4(C)C)CC2)c(OC)c1	1287483928	ABILCSSCPFWXLQ-VBKZILBWSA-N	360.454	2.168	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)[C@H]2COCCN2CC(F)F)cc1	1290323502	CCXBNRNTSCNLHN-QGZVFWFLSA-N	369.456	2.457	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@H]2CCCCO2)n1CC1(O)CC1	1617939778	GRKCBSHHKKMQMO-MRXNPFEDSA-N	358.442	2.387	10	10	FECE	
C[C@@H](c1c(O)cccc1O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1	2136335387	IQHIQBBPFXWCAB-VOJFVSQTSA-N	366.414	2.213	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1CCNC(=O)OC(C)(C)C	1726356716	DDJDWCHTANZQCE-UHFFFAOYSA-N	361.446	2.453	10	10	FECE	
NC(=O)[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1ccc(F)cc1	1633565902	FHMLYCZMOOJEML-OAHLLOKOSA-N	360.366	2.408	10	10	FECE	
CSc1nc(O)nc(C)c1C(=O)NCc1ccc2cccnc2c1O	1639621476	GPTLPBAGKWHLOS-UHFFFAOYSA-N	356.407	2.396	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3[C@H](C)O[C@H](C)[C@@H]3C)CC2)c(OC)c1	1595996460	DIHNAEOIEINJKA-YGTYGHESSA-N	362.470	2.412	10	10	FECE	
CCCCc1cc2c(c(O)c1OC)C(=O)c1[nH]cc(OC)c(=O)c1C2=O	206521994	JIAQFQQEHMNJKN-UHFFFAOYSA-N	357.362	2.216	10	10	FECE	
COc1cc(NC(=O)[C@H](C)Oc2ccc(N)cc2)c(C(=O)O)cc1OC	1860077701	DHOGESGJPCEIRV-JTQLQIEISA-N	360.366	2.390	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C[C@@H](O)C1(C)C	1879108109	ZDYCSNGSEMHDQL-QFSBIZTOSA-N	367.450	2.200	10	10	FECE	
Cn1nc(CNC(=O)OC(C)(C)C)cc1C(=O)NCc1ccccc1O	1966110005	WASKJHQJMKJXGQ-UHFFFAOYSA-N	360.414	2.080	10	10	FECE	
O=C(NC1CC(NCc2ccc(O)c(O)c2O)C1)OCc1ccccc1	1977133143	KYIDSCCBELUKDA-UHFFFAOYSA-N	358.394	2.350	10	10	FECE	
COc1cccc(O)c1CNCCN(C[C@@H](C)O)C(=O)OC(C)(C)C	2042571228	SOKZEGICMVCFKU-CYBMUJFWSA-N	354.447	2.108	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)N2CC[C@H](N=[N+]=[N-])C2)CN(C(=O)OC(C)(C)C)C1	2060632886	HASYNMQCGHAUEX-FRRDWIJNSA-N	353.423	2.170	10	10	FECE	
CN(C(=O)CN1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)c1ccc(N)cc1	2106648742	IAEZDLFJPAGGHR-MRXNPFEDSA-N	362.474	2.173	10	10	FECE	
Nc1ccc(OCCC(=O)N[C@@]23C[C@H]2CN(Cc2ccccc2)C3)cc1	2099676725	RWPVBVAWYJBBLQ-LAUBAEHRSA-N	351.450	2.428	10	10	FECE	
CN1CCc2cc([C@H](O)CN3CC[C@H](NC(=O)OC(C)(C)C)C3)ccc21	2112978766	AHHTVQYYCHBMEK-FUHWJXTLSA-N	361.486	2.311	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])C1	2218743206	IXAOXMQDSYRGCW-AGIUHOORSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1CCCN(CC(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])CC1	2225802525	ZKIFKTVJHDYTKQ-KBPBESRZSA-N	366.466	2.277	10	10	FECE	
O=C1C(=Cc2ccco2)SC(=S)N1NS(=O)(=O)c1ccccc1	2293059440	IOELEJFIDPJYTP-UHFFFAOYSA-N	366.445	2.374	10	10	FECE	
CN(C[C@@]1(O)CCCN(Cc2ccccc2)C1)C(=O)c1ccc(O)c(O)c1	2286411543	SGFNRBPSFCWDNM-NRFANRHFSA-N	370.449	2.197	10	10	FECE	
CC(C)N1C[C@@H](C)[C@@H](NC(=O)C=Cc2ccc(N3CCOCC3)cc2)C1	2298534767	UNGYCYURNAFWAC-XLIONFOSSA-N	357.498	2.381	10	10	FECE	
COc1ccc(OC)c(C=C2SC(=S)N(CCN(C)C)C2=O)c1	2323839499	WADGWEFYUQVRKA-UHFFFAOYSA-N	352.481	2.467	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)C12COC(CNC(=O)OC(C)(C)C)(C1)C2	2315988481	JDKMRTJEEIWBRE-UHFFFAOYSA-N	353.423	2.219	10	10	FECE	
Cc1cnn([C@H]2CCCN(CC(=O)NCc3ccc(N(C)C)cc3)C2)c1	106223623	MFICGBHFGLXHNO-IBGZPJMESA-N	355.486	2.211	10	10	FECE	
CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc3c(c1)CCCN3C)CC2	114948548	MBJSXRDPCBICBX-INIZCTEOSA-N	368.485	2.037	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@]1(C)COC(=O)N1	1951832721	IDKQDEVLTPBBAA-DYVFJYSZSA-N	352.387	2.032	10	10	FECE	
Cc1cc(O)c(CNC[C@]2(CO)COCC3(CCC3)N2C)c(Cl)c1	527753669	LWDNCWUEMORDHL-SFHVURJKSA-N	354.878	2.059	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnc(NC(C)C)cn3)CC2)cc1	242721536	DBSSOKKDPNVBCQ-UHFFFAOYSA-N	355.442	2.268	10	10	FECE	
CCCCN(C)C(=O)C1(C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1	244453015	ZCWFZLAVCRRJSN-UHFFFAOYSA-N	373.497	2.383	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CN1C(=O)CSc2ccccc21	273177241	NQLFVIBYUJIRBJ-LBPRGKRZSA-N	372.446	2.284	10	10	FECE	
Cc1ccc(CNCC2CC(S(C)(=O)=O)C2)c(O)c1Br	2381143800	UEJYALMLTWILAA-UHFFFAOYSA-N	362.289	2.376	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)COc3ccc(O)cc3)C2)cc1	819582821	QRDXTDHKIDWWLU-OAHLLOKOSA-N	356.422	2.422	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(N2CCC2)nc1	822614522	WOKPRFSXXBOMCV-UHFFFAOYSA-N	370.428	2.197	10	10	FECE	
CC[C@@H]1[C@@H](CO)CCN1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	824681572	LZMUPADTYDEEKY-GPMSIDNRSA-N	361.486	2.324	10	10	FECE	
C[C@@H]1CN(CCO)CCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	825337452	GRVBAAYJOJXOJO-MRXNPFEDSA-N	362.474	2.084	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Nc3ccc4c(n3)OCCO4)C2)cc1	825003467	UYGMXAFXSFZURQ-ZDUSSCGKSA-N	370.409	2.262	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3CCO[C@@H]([C@@H](C)O)C3)c2C)cc1	840564908	HLENKSVBBAYEPR-DNVCBOLYSA-N	358.438	2.325	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1C[C@@H](O)CC(F)(F)C1	840478871	CPTRZPBUVFOLHT-CJNGLKHVSA-N	355.429	2.404	10	10	FECE	
C[C@@H](CN(C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)C(=O)OC(C)(C)C	842043696	OQWVLCFUKHGYAK-JTQLQIEISA-N	365.386	2.340	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H](C)n4ccnc43)C2)cc1	852372484	CDIYLELMOHFRBT-GRDNDAEWSA-N	355.442	2.476	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3c4c(nn3C)CCCC4)C2)cc1	855234016	QPJQSMZIPLNZKY-AWEZNQCLSA-N	354.454	2.316	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cccn3C3CCNCC3)C2)cc1	852844091	PSPFKYBMTZHJMM-MRXNPFEDSA-N	368.481	2.430	10	10	FECE	
C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@](C)(C(F)F)O1	853999008	GIPCCUFZOIYTJQ-AYVTZFPOSA-N	357.313	2.175	10	10	FECE	
CC1(C)C[C@@H](S(=O)(=O)NCc2cccc(Br)c2O)CO1	859133655	DKKFJALVCIKCOY-SNVBAGLBSA-N	364.261	2.142	10	10	FECE	
C[C@H](NC[C@@]1(CO)COCCN1Cc1ccccc1)c1ccccc1O	850554676	JYVATEBUFWSDKU-LAUBAEHRSA-N	356.466	2.306	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3Cc4ccccc4[C@@H](C(=O)O)C3)cc2N1	852913145	VKLKYDFQZBLTHL-LBPRGKRZSA-N	369.333	2.114	10	10	FECE	
CNC(=O)[C@@H]1CCN(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)C1	862016930	VLWLJUNALOHPBL-MRXNPFEDSA-N	353.422	2.115	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@]1(C)Br	862039882	SGYFGVZLWAUKGF-MLGOLLRUSA-N	370.243	2.457	10	10	FECE	
C[C@H]1C[C@@H](c2cccnc2)N(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1	1118941367	BGGYGSMVHOVUFH-GUYCJALGSA-N	351.406	2.239	10	10	FECE	
COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)c([N+](=O)[O-])c1	776748389	FMYZFEZAKQUSIO-UHFFFAOYSA-N	366.351	2.196	10	10	FECE	
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)C(=O)NCCCSc1nccs1	897730338	LVKOLSOAXQPFOL-VOAKCMCISA-N	353.513	2.150	10	10	FECE	
CN1CCC2(CCN(C(=O)c3cc4cc(O)c(O)cc4s3)CC2)C1=O	897587078	FSSMHCPPIDZFDY-UHFFFAOYSA-N	360.435	2.397	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)c1	798959227	ZPFULTCFKQINFD-YPMHNXCESA-N	355.232	2.393	10	10	FECE	
C[C@H](NC[C@@H]1C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)c1cc(O)ccc1O	2116205942	OVVGOXRQMLYESA-HJXMPXNTSA-N	366.458	2.413	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H](N3CCCCC3=O)C2)cc1	1170336432	YMRRDJISTAPRCJ-HNNXBMFYSA-N	357.414	2.466	10	10	FECE	
C[C@H](CO)N(Cc1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	1914214218	QOEKZYUWIXFDFY-GFCCVEGCSA-N	357.366	2.313	10	10	FECE	
CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NCc1cc(O)ccc1O	1455357198	PRAVMWWNQKHOJE-QGZVFWFLSA-N	356.422	2.242	10	10	FECE	
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCc2ccc(O)cc2O)C1	1469161333	YIDJNDYGTKJFRK-AWEZNQCLSA-N	363.458	2.182	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NC1CCN(CCc2ccccc2)CC1	1464075082	YJXISLVDJSXQOC-UHFFFAOYSA-N	354.450	2.464	10	10	FECE	
Cn1cc(C(=O)NCc2cc(O)ccc2O)c(-c2ccc([N+](=O)[O-])cc2)n1	1471661665	XFIFMTZXSTYHBO-UHFFFAOYSA-N	368.349	2.337	10	10	FECE	
CCCS(=O)(=O)Nc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1	1617996778	JCSFLTCMCUNKLR-UHFFFAOYSA-N	364.423	2.431	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)C[C@@H]3C[C@H]3C3CC3)CC2)cc1	1625952163	VOTAYWGPMLBOLI-PXNSSMCTSA-N	357.498	2.370	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CCN3C3CCCC3)CC2)c(OC)c1	1557822219	CEMBCRFKGNWPLV-IBGZPJMESA-N	373.497	2.369	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@H]2CCOC2)n1C[C@@](C)(O)C1CC1	1729421076	YRGHWVUBVVLRPK-MGPUTAFESA-N	372.469	2.285	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1nnc(-c2ccccc2)o1	1633818269	GMIVUOLHWPUMGN-LBPRGKRZSA-N	353.378	2.438	10	10	FECE	
COC(=O)c1nc(CNC(=O)/C=C\c2ccc(O)c(O)c2)ccc1Cl	1641102430	YGBREAMITBHSDG-CLTKARDFSA-N	362.769	2.262	10	10	FECE	
CO[C@@H](C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C(=O)OC(C)(C)C	1597800915	SGYFCYJBGDBQOZ-PBHICJAKSA-N	364.486	2.465	10	10	FECE	
COC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)Cc1ccc(O)c(O)c1	1595339335	TWMWIQIJJRZFII-HNNXBMFYSA-N	369.373	2.287	10	10	FECE	
CC[C@H](CN1CCOCC1)NC(=O)NCc1c(O)ccc2c1CCCC2	1687658281	MTCSFZXXNGMKPZ-MRXNPFEDSA-N	361.486	2.181	10	10	FECE	
CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCC(=O)N1	1693999431	UPMMXWDSXBGCDB-UKRRQHHQSA-N	357.458	2.412	10	10	FECE	
C[C@H](NC(=O)Nc1cnc(N(C)C)nc1)c1ccc(N2CCOCC2)cc1	154449570	DNKVVDLYOFJNLH-AWEZNQCLSA-N	370.457	2.262	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12CO[C@](C(=O)N3CCC[C@@H]3CN=[N+]=[N-])(C1)C2	2142247979	DWVYLQKDQQUNPT-JLZZUVOBSA-N	365.434	2.362	10	10	FECE	
Nc1cc2c(cc1N1C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C1)NC(=O)CO2	2188877940	KQCBKOPGNRJTTG-HNAYVOBHSA-N	364.449	2.310	10	10	FECE	
C[C@H](NCC1(O)CC(NC(=O)OC(C)(C)C)C1)c1ccc(O)cc1O	2045140122	QBQXVKHDYYFISF-OMTHAAKESA-N	352.431	2.167	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@]1(C(=O)C(=O)C[C@H]1C[C@H](N)C1)C2	2049780306	IDNNPANBOMPPCA-CBHHFQOLSA-N	350.459	2.336	10	10	FECE	
CC(C)(C)OC(=O)NC1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CC(C(F)F)C1	2049781408	UVXSTPTYPBWITJ-QBNDGMADSA-N	360.401	2.191	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C12CCC2	2072029151	KJZARBVBIXDQDY-BHPKHCPMSA-N	350.459	2.336	10	10	FECE	
COc1ccc(Br)c(CN(CCN)CC(F)(F)F)c1O	2236053035	OMVXBQWTIVVBSE-UHFFFAOYSA-N	357.170	2.486	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCC[C@@H]3CN=[N+]=[N-])CO[C@H]1C2	2266115686	WJPHOVMYJRVIAD-FJZAXULXSA-N	365.434	2.360	10	10	FECE	
CCN(CC)CCNC=C1C(=O)NC(=O)N(c2c(C)cc(C)cc2C)C1=O	2296935816	IOROWXIUKQTYSG-UHFFFAOYSA-N	372.469	2.010	10	10	FECE	
COc1ccc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1O	2297327133	GNIGVXFSKSXAAO-UHFFFAOYSA-N	352.346	2.376	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCO[C@@H](CN(C)C)C2)cc1F	117048145	IWPCNJXCWCNEPD-INIZCTEOSA-N	366.481	2.144	10	10	FECE	
CCc1nonc1NC(=O)CN1C(=O)/C(=C\c2ccccc2)SC1=S	214200787	KIHWPBKCGOSTDY-XYOKQWHBSA-N	374.447	2.472	10	10	FECE	
O=C(CCn1cccn1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92532367	FBGGCYGMCRITNE-UHFFFAOYSA-N	367.497	2.122	10	10	FECE	
COc1cc(NC(=O)NCc2cc(Br)ccc2O)ncn1	806366710	AUYWQIZPOMZIQN-UHFFFAOYSA-N	353.176	2.275	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CNCCC3=CCCC3)CC2)cc1	819190351	OLCCIGUXMVFULE-HXUWFJFHSA-N	359.514	2.268	10	10	FECE	
COc1ccc(O)c([C@H](C)NCC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)c1	588382539	INRQYMBFLZCCJE-QWHCGFSZSA-N	358.442	2.280	10	10	FECE	
COc1cccc(CNC(=O)Nc2cccc3c2CCN(C)C3=O)c1O	825320282	HTIIEUFRGNVJAG-UHFFFAOYSA-N	355.394	2.351	10	10	FECE	
O=C(O)[C@@]1(O)CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1	901900116	FIASVAHENQGQBJ-OAQYLSRUSA-N	352.434	2.271	10	10	FECE	
O=C1N=C(N2CCCCC2)S/C1=C\c1cn(Cc2cccnc2)nn1	588425397	RVTRSYMAGIVKOB-DHDCSXOGSA-N	354.439	2.178	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)NC(C3CC3)C3CC3)CC2)cc1	742939286	CNWBIMNLMGCKQC-UHFFFAOYSA-N	372.513	2.305	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)[C@H]1CCN2CCO[C@H]1C2	840485568	UTBPTMPMXNTKKI-UXPWSPDFSA-N	374.529	2.107	10	10	FECE	
COc1ccc(N2CCC(NC3CCC(N4CCNCC4)CC3)CC2)cc1	841087426	OEGMGHDSANDZEC-UHFFFAOYSA-N	372.557	2.470	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)[C@H](CN)c2ccc(F)cc2)cc1	846697320	NSRILBCWRRNJPC-LJQANCHMSA-N	359.445	2.471	10	10	FECE	
C[C@H]1[C@@H](N)CCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	841782558	NWIMOKWDLQKYDR-LRDDRELGSA-N	368.428	2.388	10	10	FECE	
Nc1ccc(CCNC(=O)N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cc1	841955424	BORLICOXUIOERU-ICSRJNTNSA-N	357.429	2.321	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)NC[C@@]3(C)CCCCO3)cc2)CC1	924004763	AOHFLPCRPGQAGJ-HXUWFJFHSA-N	360.502	2.197	10	10	FECE	
Cc1cc(C(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)c(C)n1-c1ccccn1	855700420	OQKKUTBQJWXSPV-UKRRQHHQSA-N	361.467	2.185	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCCc2n[nH]cc21	758240966	JVTFGBRACGACRO-SFHVURJKSA-N	368.481	2.355	10	10	FECE	
CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1cccc(O)c1O	758547914	NYYLKOPBRVZRAS-UHFFFAOYSA-N	370.361	2.019	10	10	FECE	
CCOc1cccc(CN2CCC[C@](O)(Cc3nc(CC)no3)C2)c1O	856591652	CDJYAEVPWHBGMK-IBGZPJMESA-N	361.442	2.306	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)/C=C\CN(C)CC(F)(F)F)C2)cc1	855223553	BUUBHNBNBSCQAM-VQTKUKTRSA-N	371.403	2.440	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCO[C@@H]([C@H](C)O)C1	862004567	ONEVCMHSWPJQSJ-HNAYVOBHSA-N	356.422	2.128	10	10	FECE	
CCCC(=O)N1CSC[C@H]1C(=O)NCc1ccc2cccnc2c1O	862028099	PQSKFEXRHJOQPA-AWEZNQCLSA-N	359.451	2.258	10	10	FECE	
CCOC(=O)CC[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1	760820146	KGSKHIDDHWLUSW-HNNXBMFYSA-N	363.458	2.054	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H](OCCN2CCCCC2)C1	779484396	CRZUUCROSUGLAI-UABRLCRWSA-N	360.454	2.214	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@@H]3[C@@H]4CCCO[C@H]43)cc2F)CC1	779920315	GCNVDMDSDWYBEW-KFKAGJAMSA-N	361.461	2.009	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(Br)cnc1O	1154027230	SDCLPYFZTACJHU-QMMMGPOBSA-N	367.199	2.322	10	10	FECE	
C[C@H](NC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F)c1ccccc1O	1171730977	VEBYYDOJEZKGLB-QMMMGPOBSA-N	372.805	2.323	10	10	FECE	
O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2	2132418899	OKPKWAHSHSNLBI-HOCLYGCPSA-N	354.406	2.150	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC1C[C@H]2[C@H](C1)C2(F)F	1350388249	WOPNBIRKNFVKQF-IRXDYDNUSA-N	365.424	2.491	10	10	FECE	
COc1cccc(CNC(=O)c2cc3nccc(C(F)(F)F)n3n2)c1O	1445970198	QGIFZPPJSIMIGD-UHFFFAOYSA-N	366.299	2.392	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)NCc2cccc(O)c2O)C1	1528771723	VVVLWIPPCAUYJA-GOSISDBHSA-N	350.415	2.361	10	10	FECE	
COc1cccc([S@](=O)CC(=O)NCc2cccc(Cl)c2O)c1	1472316713	DUTVYKLRFZXTAQ-HSZRJFAPSA-N	353.827	2.478	10	10	FECE	
CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)cc1C	1709918597	JPJLEHOXWSRVFT-MRXNPFEDSA-N	356.474	2.108	10	10	FECE	
Cc1ccc(C(=O)NC[C@H](O)c2cnc[nH]2)cc1-n1c(C)cc(C=O)c1C	1558343278	XJXXXDUMDGHAPD-IBGZPJMESA-N	366.421	2.402	10	10	FECE	
CCOCc1nnc(N(C)Cc2ccccc2O)n1CCn1ccnc1C	1710648476	MWQQVNCHTNGOBP-UHFFFAOYSA-N	370.457	2.362	10	10	FECE	
NC(=O)[C@@H]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)O1	1559138110	YHDPFOJQVILSTJ-YOEHRIQHSA-N	369.377	2.271	10	10	FECE	
O=C(c1cc(O)cs1)N(CCO)Cc1cnn(Cc2ccccc2)c1	1630855409	CLDCCAKGEHGVIW-UHFFFAOYSA-N	357.435	2.333	10	10	FECE	
CC(C)c1n[nH]c(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n1	1682831803	LVKJECBMGILIPD-UHFFFAOYSA-N	372.473	2.106	10	10	FECE	
Cc1cccc(CNC(=O)[C@H]2[C@@H](C)OCCN2C(=O)OC(C)(C)C)c1O	2139740693	BVQALGOPFLXYGV-UKRRQHHQSA-N	364.442	2.341	10	10	FECE	
CN(C)c1ccc(/C=c2\sc3nc(-c4ccc(N)cc4)nn3c2=O)cc1	1857924559	IEDUQOFPYJDFAE-WJDWOHSUSA-N	363.446	2.014	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H](CNCc2ccc(O)cc2O)C1	2040717629	UXNKRDJTGWGEMY-CYBMUJFWSA-N	352.431	2.071	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(c2cc3c(cc2N)OCC(=O)N3)[C@H]2CC[C@@H]21	2168382803	DPCFRSIRZHOGJH-KBPBESRZSA-N	374.441	2.188	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCCN1S(=O)(=O)Cc1ccc(N)cc1	2044642662	WAJDAHACJAMKKW-HNNXBMFYSA-N	369.487	2.088	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CN1CCO[C@@H]2CCNC[C@H]21	2185534808	WWQYYBXLJWEWHJ-CHWSQXEVSA-N	361.667	2.371	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	2060369095	NOIIINFMEBDYCH-ABAIWWIYSA-N	350.415	2.012	10	10	FECE	
C[C@H](NC(=O)[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O	2072479917	ONDOGZCGDHEMHD-UBHSHLNASA-N	350.415	2.109	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2073949846	KRKGLQMMDBWFKU-RWMBFGLXSA-N	353.423	2.360	10	10	FECE	
C[C@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]1C[C@H](N)C1	2112571095	KRYBHWMGCWEBDH-ABHRYQDASA-N	370.490	2.349	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](O)(CCNCc2ccc3c(c2)CCO3)C1	2230148905	JEWBIWSOLKZTBW-HXUWFJFHSA-N	362.470	2.473	10	10	FECE	
CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)c1ccc2c(c1)OC(F)(F)O2	2271677743	IDKNXNSCLXUZAT-UHFFFAOYSA-N	372.368	2.426	10	10	FECE	
COC(=O)c1cccc(-n2c(C)cc(C=C3NC(=O)NC3=O)c2C)c1C	2293294627	USWWGAVITKLWJP-UHFFFAOYSA-N	353.378	2.369	10	10	FECE	
CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1ccc(Cl)cc1	2296916413	IWYNAQVDYDYAGD-CYBMUJFWSA-N	353.831	2.041	10	10	FECE	
CN[C@@H](c1ccccc1O)[C@@H](O)C1(NC(=O)OC(C)(C)C)CCOCC1	2341444287	AMIOMEWMOILTMB-JKSUJKDBSA-N	366.458	2.088	10	10	FECE	
Cc1ccc(C(=O)c2coc3ccc(O)c(CN(CCO)CCO)c23)cc1	4653922	KPOKWMXYPLBMIR-UHFFFAOYSA-N	369.417	2.464	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN(C)Cc3nc(C)cs3)CC2)cc1	172400186	NBAHLLBKPWTLJC-UHFFFAOYSA-N	374.510	2.241	10	10	FECE	
CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C/c1ccc(C)cc1	33411054	GULDNUBMMKWGGC-GZTJUZNOSA-N	355.419	2.449	10	10	FECE	
COc1cc(OC)c2c(c1)C(=O)c1cc(OC)c([C@@H](C)O)c(O)c1C2=O	34892481	MJBSYKMZXOBEFD-MRVPVSSYSA-N	358.346	2.247	10	10	FECE	
COC(=O)c1coc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	186406780	DOCBOLHATNNOCQ-UHFFFAOYSA-N	358.394	2.175	10	10	FECE	
CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)NC2=O)cc1	40942144	STGBQAQSOPBDLL-UKTHLTGXSA-N	350.465	2.423	10	10	FECE	
O=C(O)[C@@]1(N2CCc3cc(O)c(O)cc3C2)CCN(Cc2ccccc2)C1	2373958387	GAVHCVZOQFFBHD-OAQYLSRUSA-N	368.433	2.185	10	10	FECE	
Cc1csc([C@@H](C)NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)n1	803687287	AWMPCJHCTGGXGK-CYBMUJFWSA-N	372.494	2.328	10	10	FECE	
COC[C@]1(C(=O)OC)CCCN1Cc1cccc(Br)c1O	827487982	BCYZOTBZUUMRSA-HNNXBMFYSA-N	358.232	2.309	10	10	FECE	
CCOC(=O)c1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)on1	825776407	HKHQQJOSPVTKEC-CQSZACIVSA-N	374.393	2.378	10	10	FECE	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCc2cnn(C)n2)cc1	839271871	DOPSIKFCUFPYFN-UHFFFAOYSA-N	369.391	2.405	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CCO[C@@H](C2CC2)C1	839339301	KJPJFVABDOKYCV-GOSISDBHSA-N	360.454	2.158	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ncn(C(C)C)n1	845930859	WZYJETOTEIQUMO-UHFFFAOYSA-N	372.473	2.301	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N(C3CC3)[C@H]3CCNC3)CC2)cc1	841778513	CJNITEKNLZPFCK-SFHVURJKSA-N	358.486	2.200	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)N[C@H](C)C(C)(C)C)C2)cc1	846740304	CYCOZJOPJHVPAL-HUUCEWRRSA-N	361.486	2.189	10	10	FECE	
C[C@H](NC(=O)NCc1cn(C)nc1Br)c1ccccc1O	924560427	BTJFLAOIUGOYDU-VIFPVBQESA-N	353.220	2.449	10	10	FECE	
COc1cc(Br)cc([C@@H](C)N[C@@H](CO)c2cnn(C)c2)c1O	848536719	UMDFBHXFKACTCS-RNCFNFMXSA-N	370.247	2.281	10	10	FECE	
CO[C@@H](Cc1ccccc1)CS(=O)(=O)NCc1c(O)cccc1F	921450950	HXBSKYUFXVSWSN-AWEZNQCLSA-N	353.415	2.208	10	10	FECE	
CN(C)Cc1csc(CNCc2ccc(N3CCOCC3)c(F)c2)n1	922491443	NGFNJOAXQZYRQD-UHFFFAOYSA-N	364.490	2.470	10	10	FECE	
C[C@@H](NC(=O)N1CCCc2n[nH]cc2C1)c1ccc(N2CCOCC2)cc1	852970782	XWRVLYZDWYAIQT-OAHLLOKOSA-N	369.469	2.465	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H](N)c3ccc(F)cc3F)C2)cc1	852900477	MQDHXBVCOLONFY-SCLBCKFNSA-N	361.392	2.368	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCCOc3cccnc3)C2)cc1	852108008	ZEOXXRBTPZZONQ-HNNXBMFYSA-N	356.426	2.047	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3nncn3C(C)C)C2)cc1	854297899	SVCBYVSFIFIOTM-HNNXBMFYSA-N	372.473	2.288	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H](N)c3ccccc3OC)C2)cc1	851640002	OVHNCLZYWLJTCB-LIRRHRJNSA-N	355.438	2.099	10	10	FECE	
COC(=O)[C@@]1(OC)CCN(Cc2cc(C)cc(Br)c2O)C1	862475548	OFUCNTBRWPSOHQ-OAHLLOKOSA-N	358.232	2.227	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2cn3c(n2)C[C@H](OC)CC3)cc1	869142812	PIDZJYKSNVELQL-QGZVFWFLSA-N	372.469	2.061	10	10	FECE	
COC(=O)N1CCC[C@@H]([C@@H](C)NCc2ccc(N3CCN(C)CC3)cc2)C1	775349341	ZJEDAPWPMYVHHK-IEBWSBKVSA-N	374.529	2.395	10	10	FECE	
O=C(NC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1)c1ccccc1	1136096744	YNKNQOASCIZDAD-UHFFFAOYSA-N	354.406	2.061	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1ccc(N2C(=O)CCCC2=O)cc1	1136233272	MVAPAKJQMRZWOW-UHFFFAOYSA-N	354.362	2.323	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CC[C@@H](C(F)(F)F)[C@H]3C)nc12	791585196	SKSDOELBJFFTFK-BXKDBHETSA-N	372.347	2.384	10	10	FECE	
O=C(NCc1ccccc1O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O	790264376	KDEJISIHHRLLKA-MRXNPFEDSA-N	357.385	2.132	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCS(=O)(=O)CCO2)c1	1159742190	ZKNFACIFQYIPGW-UHFFFAOYSA-N	362.451	2.205	10	10	FECE	
CS(C)(=O)=NS(=O)(=O)c1ccc(NC(=O)c2cc(O)cs2)cc1	1178240995	JNYYFPADZSKXLT-UHFFFAOYSA-N	374.465	2.122	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N(C)Cc1ccccc1O	2124165968	MOKMNDDNVWQHSA-GOEBONIOSA-N	364.442	2.233	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1	1252333044	HZSCMFILZKTEJQ-GOSISDBHSA-N	372.469	2.411	10	10	FECE	
C[C@H](N[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)c1ccc(O)cc1O	2121674165	SOGRHOOXQKHIDU-LDXOSZSPSA-N	364.442	2.383	10	10	FECE	
CCN(CCCN(C)C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1256236943	MVKSHTBVPPMEAO-IBGZPJMESA-N	363.550	2.339	10	10	FECE	
C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)C(=O)N2Cc3cccc(O)c3C2)C1	1348641614	YFVGLMXOYFBHLX-VWMOJTHMSA-N	372.465	2.023	10	10	FECE	
COc1ccc(N2CC[C@@H](NCc3ccc(S(C)(=O)=O)o3)C2)cc1	1347358682	XKCKOHXZKIOHKB-CYBMUJFWSA-N	350.440	2.060	10	10	FECE	
C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)[C@H](C)CN1C(=O)OC(C)(C)C	1446996842	USJPXZWTOKDMIA-OLZOCXBDSA-N	364.442	2.497	10	10	FECE	
CCOC1CC(O)(Cn2c(CC)nnc2N(C)Cc2ccccc2O)C1	1516398522	QGUBKCZXGPUSOK-UHFFFAOYSA-N	360.458	2.113	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(Cn2ccnn2)cc1	1466790113	CEXWHTYYNCYLSN-CYBMUJFWSA-N	352.394	2.099	10	10	FECE	
Cc1cc(C(=O)NCCCSc2nccs2)c(C)n1NC(N)=O	1542955898	BSUUCAMAEXLRCY-UHFFFAOYSA-N	353.473	2.096	10	10	FECE	
Cc1nc2ccccc2c(=O)n1CC(=O)NCc1cc(Cl)ccc1O	1628666950	NLXZJLQVERCZHP-UHFFFAOYSA-N	357.797	2.380	10	10	FECE	
Cc1cc(C(=O)N2CC[C@@H](c3nncn3C)C2)c(C)n1-c1ccccn1	1644721107	LYBYAIJEFJFZRW-OAHLLOKOSA-N	350.426	2.247	10	10	FECE	
C[C@@H](NC(=O)c1nn(C)cc1I)c1ccccc1O	1642827383	GRLDIVYDVCPPOV-MRVPVSSYSA-N	371.178	2.221	10	10	FECE	
NS(=O)(=O)CCCCCC(=O)NCc1c(O)ccc2ccccc12	1647791811	VJGKODIKVBGHSP-UHFFFAOYSA-N	350.440	2.011	10	10	FECE	
C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1	1644526408	KZMYMOXGILASCR-KZNAEPCWSA-N	358.530	2.316	10	10	FECE	
COC[C@@H]1CN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)C[C@@H](C)O1	1697885972	MAHJZNPJBVRHRX-BEFAXECRSA-N	373.501	2.249	10	10	FECE	
O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1CCN1CCOCC1	14242225	OEKFMWJJXHUTAA-KAMYIIQDSA-N	352.456	2.359	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12CO[C@](C(=O)NCc3ccccc3O)(C1)C2	2142253835	IJPXEUNDFODKAS-KDURUIRLSA-N	362.426	2.082	10	10	FECE	
C[C@@H](NC(=O)c1cnn(C)c1I)c1ccccc1O	1151885812	ISSLJDMSUKIDDT-MRVPVSSYSA-N	371.178	2.221	10	10	FECE	
COc1cccc(-c2cc(C(=O)Nc3nc(C4=S=CC=C4)n[nH]3)on2)c1	1182353516	FSEXTEORYWVFKC-UHFFFAOYSA-N	367.390	2.346	10	10	FECE	
COc1ccc(O)c(CN[C@@H]2COCC[C@H]2NC(=O)OC(C)(C)C)c1	2031531971	GRQLKHQCNFPUAZ-HUUCEWRRSA-N	352.431	2.173	10	10	FECE	
CN(CCN(C)C(=O)OC(C)(C)C)CC(=O)N(C)c1ccc(N)cc1	2044593865	MOQXPTLZPOYPPF-UHFFFAOYSA-N	350.463	2.030	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NC(=O)c2cccc(O)c2O)C1	2054413991	MXKAOTFTUICJKD-REFGNXHDSA-N	370.427	2.003	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1CC(=O)N1CCC[C@H]1CN=[N+]=[N-]	2067675493	ARXHLYBESHHNHF-RWMBFGLXSA-N	353.423	2.218	10	10	FECE	
C[C@H](NCC1(CO)CN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1O	2081949028	KRLDLBNOVKAYRN-LBPRGKRZSA-N	354.422	2.411	10	10	FECE	
COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1CCOc1ccc(N)cc1	2106740368	SMFBZZLZYYXGIU-MRXNPFEDSA-N	365.474	2.215	10	10	FECE	
COc1ccc(N(C)C[C@H](O)CCN2C(=O)c3ccccc3C2=O)cc1	2210653535	KFBHTSSEBRQFBJ-OAHLLOKOSA-N	354.406	2.179	10	10	FECE	
CN(CCCN=[N+]=[N-])S(=O)(=O)Cc1ncsc1Br	2219000565	FLQKBJCOLKPJOJ-UHFFFAOYSA-N	354.255	2.368	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[C@@H](CN(Cc3ccc(N)cc3)C2)[C@H]1CO	2230886555	POOXXKHTPNQUNF-CWLKWCNXSA-N	361.486	2.222	10	10	FECE	
CC(C)(C)OC(=O)N1CCOCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-]	2257620463	HKRKJYWFPGNKAB-JHJVBQTASA-N	353.423	2.360	10	10	FECE	
COC(=O)C=Cc1ccc(N2CCC[C@@H](Cn3cncn3)C2)c([N+](=O)[O-])c1	2297506517	UVCZEUDLUGCMMK-OAHLLOKOSA-N	371.397	2.289	10	10	FECE	
CN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)NC1=S	2313624177	OIZBRNMRPJVTMF-UHFFFAOYSA-N	357.347	2.111	10	10	FECE	
COc1ccc(N2N=C(c3ccccc3)/C(=C(/C)NCCO)C2=O)cc1	101834186	ALMXTHMZHPFMAF-NBVRZTHBSA-N	351.406	2.302	10	10	FECE	
C[C@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)N1CCCCC1=O	190345984	LGOMFAHJJPLEOC-PYUISTEWSA-N	371.481	2.054	10	10	FECE	
O=S(=O)(NCc1ccccc1O)c1nc(F)ccc1Br	2368213355	KSKSEKAKAULAHS-UHFFFAOYSA-N	361.192	2.167	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1C[C@H]2OCCC[C@@H]12	251934879	UFBBHCFNUSPBKR-YXJHDRRASA-N	363.433	2.029	10	10	FECE	
CNC(=O)Cn1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cn1	275776130	PBDOSOCSCQPXIA-UHFFFAOYSA-N	372.473	2.138	10	10	FECE	
CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCc1ccc(N2CCCC2)cc1	364734123	JDKVFJOOYDLNGM-DBXWQHBBSA-N	357.498	2.436	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@]1(C)CCC(=O)NC1	282595115	DBXMOECUOVRYQX-INIZCTEOSA-N	369.259	2.420	10	10	FECE	
COCc1noc(CN2CCN(Cc3cc(Cl)c(F)cc3O)CC2)n1	294663050	LOYGMQJMDBDUQG-UHFFFAOYSA-N	370.812	2.032	10	10	FECE	
CN[C@@H]1C(=O)Nc2cc(N3C[C@H]4CN(Cc5ccccc5)C[C@@H]4C3)ccc21	705963430	QMXDVRZIIRLDRV-LZJOCLMNSA-N	362.477	2.467	10	10	FECE	
Cc1cc(COCC(=O)NCc2ccc(N3CCSCC3)cc2)on1	801135233	PPNVFPHOPXYATF-UHFFFAOYSA-N	361.467	2.369	10	10	FECE	
CN(C)c1ccc([C@@H](N)c2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)cc1	2163128513	VQVCJJIOCRMGHZ-QGZVFWFLSA-N	372.473	2.184	10	10	FECE	
CC1(C)OCC(NC(=O)NCc2cc(Br)ccc2O)CO1	807108635	OURJOTAPEMLLLY-UHFFFAOYSA-N	359.220	2.105	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC[C@H](O)CC3CCCC3)cc2)C1	818967860	DDPLOVBOIKYBOD-UYAOXDASSA-N	359.514	2.419	10	10	FECE	
C[C@H]1CN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)[C@@H]1C	815163921	SKIVGJLPQKMNFU-ZJIFWQFVSA-N	363.477	2.396	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Nc3c(C)ccn(C)c3=O)C2)cc1	821817794	WZGPPFUGBGWLGH-AWEZNQCLSA-N	356.426	2.103	10	10	FECE	
COC(=O)c1conc1C(C)(C)NCc1ccc(N2CCOCC2)cc1	822534536	LJANUSXSMALDMF-UHFFFAOYSA-N	359.426	2.323	10	10	FECE	
CO[C@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC[C@H]1C	823538221	UTYLAUHKUCMORK-BEFAXECRSA-N	361.486	2.214	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H](CN2CCOC2=O)C1	836243977	KPVDLBHMSXLPGR-KRWDZBQOSA-N	372.469	2.271	10	10	FECE	
C[C@@H](NC(=O)N1CC[C@H](CN2CCOC2=O)C1)c1ccc(N(C)C)cc1	836405310	CPTPNDCJPDYJOZ-CABCVRRESA-N	360.458	2.297	10	10	FECE	
Cc1cc(N(C)C)ccc1CN1CCC(CC(=O)N2CCN(C)CC2)CC1	840914761	YSAAHEYGASMELU-UHFFFAOYSA-N	372.557	2.437	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=N)N3CCO[C@H](C)C3)cc2F)C[C@@H](C)O1	849095509	ASOGTXLROQFQDT-KFWWJZLASA-N	364.465	2.184	10	10	FECE	
Cc1nn(C)c(S(=O)(=O)NCc2ccc(N(C)C)cc2)c1C(F)F	841476330	XGWQXZVGFLOZNK-UHFFFAOYSA-N	358.414	2.211	10	10	FECE	
CCN1CCN(c2ccc(CNCc3cncnc3OC)cc2F)CC1	842677438	PYDGTRRNEFVUNR-UHFFFAOYSA-N	359.449	2.056	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3ccc(C)c(F)c3)C2)cc1	850536560	LDIBXOCMDZDBHW-HNNXBMFYSA-N	371.412	2.476	10	10	FECE	
COc1cc(N2CCN(CCn3cc(C)cn3)CC2)cc(OC)c1OC	759888036	ZJSJRZCPDWYTHJ-UHFFFAOYSA-N	360.458	2.040	10	10	FECE	
C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@](C)(C(F)F)O1	852780535	OALZXFYWLFBZOP-FZKQIMNGSA-N	355.429	2.113	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3cccc(F)c3C)C2)cc1	850537136	NBJQGYREBPJXDU-CQSZACIVSA-N	371.412	2.476	10	10	FECE	
O=C(Cc1cn2cc(F)ccc2n1)NCc1ccc(N2CCOCC2)cc1	864984422	RDEPWMPVESHEEB-UHFFFAOYSA-N	368.412	2.169	10	10	FECE	
CCO[C@H](C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C1CCOCC1	869230185	GLJSOCBPUKQHIA-APWZRJJASA-N	362.470	2.222	10	10	FECE	
C[C@@H]1C[C@@H](c2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)CCO1	762286898	FBFWWGABNUUDFC-ZJUUUORDSA-N	353.400	2.096	10	10	FECE	
C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(S(C)(=O)=O)cc1	779475732	QMLVITWNGGSLHQ-JOTVYFQTSA-N	361.419	2.392	10	10	FECE	
COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NCc2cccc(OC)c2O)C1	776239939	NUYVJESEOQLARP-OCCSQVGLSA-N	365.430	2.067	10	10	FECE	
CC(=O)c1cn(C2CN(Cc3cccc(Br)c3O)C2)nn1	897937109	HTGHZUVTLNXSNN-UHFFFAOYSA-N	351.204	2.006	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cncc(F)c1	1137816873	TXRFOAFSSXYCQG-UHFFFAOYSA-N	352.749	2.395	10	10	FECE	
CC(C)[C@]1(C2CC2)NC(=O)N(CN(C)Cc2ccc(N(C)C)cc2)C1=O	799130115	ZKCMIJWNTZOKLS-HXUWFJFHSA-N	358.486	2.499	10	10	FECE	
Cc1c(C(=O)NCc2cc(O)ccc2O)sc2nc3n(c(=O)c12)CCC3	1153879548	QDNZUIIUXIVNMJ-UHFFFAOYSA-N	371.418	2.054	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]12CN(Cc3cc(N)ccc3O)C[C@H]1CCO2	2118568087	KADARRFEWKFWID-AUUYWEPGSA-N	363.458	2.090	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2124509475	NPABPXSFJUNTHW-BFHYXJOUSA-N	367.450	2.296	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]1(C)CCCN1C(=O)c1cc(O)c(O)c(O)c1	2132404989	WCZMXEZUOLXPRU-GOSISDBHSA-N	366.414	2.323	10	10	FECE	
O=C(NCCc1nccn1Cc1ccccc1)c1cc(O)c(O)c(O)c1	2132410585	NWXRKBXIAVPGLN-UHFFFAOYSA-N	353.378	2.021	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1Cc2cccnc2C1	1347333292	IFVXRGZWEONNQI-KRWDZBQOSA-N	351.450	2.074	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(CCc2ccc(N)cc2)C1	2132280887	LOXRIBGMGRCYLP-CVEARBPZSA-N	363.458	2.254	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1C[C@H]2[C@@H](C1)C2(F)F	1350679187	FWPYYWKJCOMPJU-RBVVOMGSSA-N	363.408	2.063	10	10	FECE	
COC(=O)[C@H](COC1CCC1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1	1446103678	MHRSEVFKONFQNO-AWEZNQCLSA-N	362.386	2.032	10	10	FECE	
Cc1nnc(N2CC[C@]3(CCOC3)C2)n1Cc1ccc(N(C)C)c(F)c1	1290811276	YAVHBYKYYFLOLR-IBGZPJMESA-N	359.449	2.457	10	10	FECE	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(CO)c(F)c3)c2)CC1	1466925310	IYQHGVWUCHXMAN-UHFFFAOYSA-N	371.412	2.239	10	10	FECE	
COC(=O)c1ccc(NC(=O)/C(=C\C2=S=CC=C2)NC(C)=O)cc1C	1464865019	XAOSEWRWJOKGNS-MHWRWJLKSA-N	358.419	2.018	10	10	FECE	
COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c(O)c1	1603555309	OERHJEAXCWSTIG-GOSISDBHSA-N	357.454	2.500	10	10	FECE	
COc1ccc(N2CCN(c3ncc([N+](=O)[O-])c4c3ncn4C)CC2)cc1	1615951025	QJMFZIUKDKNNBK-UHFFFAOYSA-N	368.397	2.212	10	10	FECE	
O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1	1544845188	KTBLQPHNTYUAKS-HNNXBMFYSA-N	373.384	2.202	10	10	FECE	
CC[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)NCc1ccc(OC)c(C)c1	1567968808	LEMGKQZXFGYZGT-VOSWSFSHSA-N	358.482	2.411	10	10	FECE	
COc1ccc(CN[C@@H](C)CN(C)C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cc1C	1676428303	FXLAXCMSUZQLQC-ZYSHUDEJSA-N	370.497	2.477	10	10	FECE	
CCC[C@](C)(O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1685610046	UFNZHNAIHMGMEP-MJGOQNOKSA-N	350.507	2.206	10	10	FECE	
O=C(/C=C\c1ccncn1)NCc1ccc(N2CCC(CO)CC2)cc1	1772910464	ATRZKCCSSILOGE-UTCJRWHESA-N	352.438	2.015	10	10	FECE	
C/C(NCCO)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	17075194	UXZLXBBCHFIXDQ-GHRIWEEISA-N	366.377	2.202	10	10	FECE	
C[C@H](NC(=O)C[C@H]1COC[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O	1877573535	LZLDCBFPWZWKNC-KCQAQPDRSA-N	364.442	2.499	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)NCCCCN=[N+]=[N-]	1963733076	URBIGAQDAGBDQR-OLZOCXBDSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1CCCN(c2cc3c(cc2N)OCC(=O)N3)CC1	311258237	OAJKBSBGORWJHL-UHFFFAOYSA-N	362.430	2.047	10	10	FECE	
COc1ccc(CN[C@H]2[C@H]3OCC[C@@H]3[C@H]2NC(=O)OC(C)(C)C)c(O)c1	311309696	XIEWPKIUIWRKIZ-DZUCGIPZSA-N	364.442	2.171	10	10	FECE	
Oc1ccc(CNC[C@@]23CN(Cc4ccccc4)C[C@@H]2CCO3)c(O)c1O	2175201193	FEWYTKZABCTCEE-LAUBAEHRSA-N	370.449	2.184	10	10	FECE	
COc1cccc(O)c1CN[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1OC	2058676650	OXIRFGHTXBJEBJ-BBRMVZONSA-N	352.431	2.125	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H](CC(=O)N2CC[C@H](N=[N+]=[N-])C2)C1	2080209869	DWPIAJCALPSPEU-OLZOCXBDSA-N	353.423	2.171	10	10	FECE	
Cc1cccc(CNC(=O)c2cc(CNC(=O)OC(C)(C)C)nn2C)c1O	2204627147	SFQBHLWRDYYXGR-UHFFFAOYSA-N	374.441	2.389	10	10	FECE	
CS(=O)(=O)CCC1CC(NCc2c(O)cccc2Br)C1	2233943565	WFSAPTXPTRCALF-UHFFFAOYSA-N	362.289	2.458	10	10	FECE	
CC(C)(C)OC(=O)NCC12COC(C(=O)N[C@H]3CCC[C@H]3N=[N+]=[N-])(C1)C2	2225791403	CYOOAGZTFNWUJO-YKDGJLSTSA-N	365.434	2.408	10	10	FECE	
O=C(CCc1ccccc1F)NCc1ccc(N2CCNC(=O)C2)cc1	106263445	NEBJEJTUVUXWDK-UHFFFAOYSA-N	355.413	2.011	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N[C@@H](C)c1c(O)cccc1O	305891012	JKVBAIBZKXNPMW-HUBLWGQQSA-N	352.431	2.383	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(=O)Nc3cc(C)cc(F)c3)CC2)cc1	178273564	PHUKPOQSOMWKAC-UHFFFAOYSA-N	371.412	2.430	10	10	FECE	
C[C@@H](NCc1cccc(OCC(N)=O)c1)c1ccc(N2CCOCC2)cc1	128757181	YBCQHIJQFRDZLM-MRXNPFEDSA-N	369.465	2.238	10	10	FECE	
C[C@H](C(=O)O)N1C(=O)/C(=C2/C(=O)Nc3ccc(Cl)cc32)SC1=S	72414738	ONARRIPYRFUDRI-QLKNVKLRSA-N	368.823	2.337	10	10	FECE	
COc1cc(Cl)cc(CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1O	184703278	ZAFZWRFUIRQDKK-CQSZACIVSA-N	374.890	2.054	10	10	FECE	
Cc1cccn2c(=O)c(C(=O)NCc3ccc(N(C)C)c(F)c3)cnc12	91040676	QLRHDCCUSCDILM-UHFFFAOYSA-N	354.385	2.138	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)Cn3cncn3)ccc21	264119080	JRSDJWBIEHJABH-ZDUSSCGKSA-N	355.442	2.315	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H](c2nncn2C2CC2)C1	272493926	SACOIFLBZJWUNU-PXYYCUNGSA-N	354.410	2.444	10	10	FECE	
Cc1nc([C@H]2COCCN2C(=O)NCc2ccc(N3CC=CC3)cc2)no1	360988263	CMNPXVODHPHVCE-QGZVFWFLSA-N	369.425	2.037	10	10	FECE	
COc1cc(Br)cc(CN[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1O	361392590	WWSRHSDOVGAFCZ-OASPWFOLSA-N	369.259	2.262	10	10	FECE	
O=C1[C@@H]2[C@H]3CCC[C@@H]3CN2C(=O)N1Cc1ccc(N2CCOCC2)c(F)c1	277426264	RLOHXNUTYIGXFS-VKJFTORMSA-N	373.428	2.225	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CCN(CC(=O)Nc3ccc(N)cc3)C[C@H]2C1	2163047565	ISRXIPJSGXFSLV-CABCVRRESA-N	374.485	2.396	10	10	FECE	
C[C@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC[C@@H](C)O1	823518755	BETUYWLZLFHZBP-CVEARBPZSA-N	361.486	2.357	10	10	FECE	
CN(C(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCN(C2CC2)C1	823554475	UNVNBEZKLYKOJW-LJQANCHMSA-N	372.513	2.026	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CC[C@H](OC(F)F)C1	823531195	VOTMTFUHQPYHGG-INIZCTEOSA-N	369.412	2.171	10	10	FECE	
COC[C@]1(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CCOC1	839253235	GJHIXMLALWQLOD-OAQYLSRUSA-N	365.385	2.454	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)C3CCC(=O)CC3)cc2F)CC1	746229773	ZETBZPPNZTVPML-UHFFFAOYSA-N	361.461	2.343	10	10	FECE	
COC(=O)[C@@H]1CSCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	840976432	FMZNSCDZPAVAID-HNNXBMFYSA-N	368.474	2.000	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@H]3CC[C@@H](C4CC4)N3)cc2F)CC1	846673771	FCFIHMQDHMPCHZ-RBUKOAKNSA-N	374.504	2.114	10	10	FECE	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(C(=O)O)on2)cc1	911116323	ZWOFEMVQMPPYOY-OAHLLOKOSA-N	373.409	2.260	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@]4(CCCN(C)C4)C3)C2)cc1	854297625	PHYOFVLVFDBELH-DYESRHJHSA-N	372.513	2.401	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3c(C)nn(C)c3C)C2)cc1	852181448	BFZIZJVTKOJCQO-HNNXBMFYSA-N	357.458	2.124	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@@]4(CCOC4)C3)C2)cc1	852449159	QGEBJTMFLNREMB-OXQOHEQNSA-N	359.470	2.486	10	10	FECE	
C[C@H](N[C@H]1CCN(C2CCC2)C1=O)c1ccc(N2CCOCC2)c(F)c1	858602517	AUBPHOYYRZOAMA-KSSFIOAISA-N	361.461	2.466	10	10	FECE	
C[C@H]1c2ccccc2C[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O	855566039	FWDAAMXGIXPLDK-MEDUHNTESA-N	360.435	2.222	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CC[C@H]3[C@@H]2CCCN3CCO)c1O	934263224	NLPNIFNBJPDYFA-IRXDYDNUSA-N	352.862	2.279	10	10	FECE	
Cc1ccn2ncc(C(=O)NCc3cccc(Br)c3O)c2n1	765730396	UPTAKULAQKZSKP-UHFFFAOYSA-N	361.199	2.436	10	10	FECE	
CCOC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1	869295177	MYPIKSPEFLIVCH-DLBZAZTESA-N	374.481	2.243	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3c4c(nn3C)CCSC4)CC2)cc1	877918434	AKYZUFANJNVDGW-UHFFFAOYSA-N	372.494	2.180	10	10	FECE	
Cc1c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cccc1S(N)(=O)=O	775412274	VYQLKFWCVZCFEC-ZDUSSCGKSA-N	361.467	2.199	10	10	FECE	
O=C1[C@H](NCc2cc(Br)ccc2O)CCN1C1CCOCC1	776230446	IPAJODLNLCEZTB-CQSZACIVSA-N	369.259	2.024	10	10	FECE	
COc1cc(Cl)cc(CNCCN2C[C@H]3CCCCN3C2=O)c1O	895345168	YAAKEZHCHGXFTK-CQSZACIVSA-N	353.850	2.434	10	10	FECE	
Cc1cc(C(=O)COC(=O)c2cnn(C)n2)c(C)n1-c1ccc(F)cc1	792544220	HZXWXAWAAMPRCM-UHFFFAOYSA-N	356.357	2.401	10	10	FECE	
CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc(CN)c(F)c1F	711773944	VPKUJLSQWQPAPD-HXUWFJFHSA-N	361.436	2.497	10	10	FECE	
COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(N=NC(N)=O)cc1	1144281553	UBUYEDWNBSLIKJ-OAHLLOKOSA-N	354.366	2.363	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(C2CC(=O)NC(=O)C2)cc1	1160037597	UENHLAXCMUTWDA-WAPJZHGLSA-N	366.373	2.270	10	10	FECE	
Cn1nccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2124517117	YAWHFEVMAKKWJF-DGCLKSJQSA-N	363.422	2.287	10	10	FECE	
Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=N[C@@H]1CCc2cccc(O)c21	2126731936	YJSWFEAUNDZCTG-GFCCVEGCSA-N	359.430	2.067	10	10	FECE	
CN(CCc1nc(=NCc2cc(F)ccc2O)[nH][nH]1)C(=O)OC(C)(C)C	2128842526	ONWIUAILBQAQCJ-UHFFFAOYSA-N	365.409	2.093	10	10	FECE	
CCc1cccc(CN=c2nc(CN(C)C(=O)OC(C)(C)C)[nH][nH]2)c1O	2128846595	BMOQIAIDQJFGLS-UHFFFAOYSA-N	361.446	2.474	10	10	FECE	
COC(=O)c1c(NC(=O)NCc2ccc(N(C)C)cc2C)nc2n1CCC2	1263649778	LNHRDNKPPJIUPN-UHFFFAOYSA-N	371.441	2.312	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3cnn4c3NC[C@@H](C)C4)C2)cc1	1352303767	TYGPKRXWPBRXBL-HUUCEWRRSA-N	369.469	2.210	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3CC=CC[C@H]3C)CC2)cc1	1351250335	PYLNNEFPOZOMII-DNVCBOLYSA-N	371.481	2.251	10	10	FECE	
C[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCN1C(=O)CCCF	1520808793	BSPZLFDFRVBUAI-RISCZKNCSA-N	363.393	2.318	10	10	FECE	
CN(C)c1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCOCC2)cc1F	1552821656	ADKTZVKZKZSQHM-UHFFFAOYSA-N	370.432	2.363	10	10	FECE	
COC(=O)[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)c2ccc(F)cc2O1	1628255020	KVDAAMYULDACKL-GALSZHCDSA-N	373.336	2.217	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1ccc(S(=O)(=O)CC2CC2)cc1	1558535041	CMOZRSLWVJKNMS-UHFFFAOYSA-N	361.419	2.212	10	10	FECE	
CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1CCn1cncn1	1726882327	UFVQYLIBFYOGAY-CQSZACIVSA-N	355.446	2.425	10	10	FECE	
COC(=O)c1cc(Cl)cc(NC(=O)Cc2ccc(O)c(O)c2)c1O	1640343499	FPOBQMVXOPPWML-UHFFFAOYSA-N	351.742	2.425	10	10	FECE	
Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)c3c(F)ccc(O)c3O)n2)c1	1654531379	UJBQOGLGTITBJE-SECBINFHSA-N	357.345	2.216	10	10	FECE	
NS(=O)(=O)c1cccc(NC(=O)c2cc3cc(O)c(O)cc3s2)c1	1587138491	PXOVZENHQYNFTA-UHFFFAOYSA-N	364.404	2.212	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H]2COC[C@@H](C)N2C(=O)OC(C)(C)C)c1O	2139760145	OQDDKAIQRGWHTG-HIFRSBDPSA-N	364.442	2.341	10	10	FECE	
COc1ccc(O)c(CNC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)c1	155951451	CFTSERBLIBNUIA-DLBZAZTESA-N	360.454	2.446	10	10	FECE	
CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOC)C1=O	1873169674	FPWFCWBTRPFCSL-UHFFFAOYSA-N	367.449	2.430	10	10	FECE	
CCN1CCc2cc([C@H](N)[C@]3(O)CN(C(=O)OC(C)(C)C)[C@@H]3C)ccc21	1887683343	IHXVGQPVDBCMIS-VOWSPCBNSA-N	361.486	2.439	10	10	FECE	
CC1(C)[C@H](CNCc2cccc(Br)c2O)CCS1(=O)=O	1967858931	YILMELBHQYFGJV-NSHDSACASA-N	362.289	2.458	10	10	FECE	
C[C@@H](N)c1ccc(N2C[C@@H]3CCS(=O)(=O)[C@H]3C2)cc1Br	2145071357	GOAHZDRWWLJTIT-BFVZDQMLSA-N	359.289	2.092	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCCN=[N+]=[N-])[C@H](C(F)(F)F)C1	2010393345	QZHUNUWFGWLLMX-RKDXNWHRSA-N	351.329	2.458	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NCc1ccc2c(c1)CCO2	387866689	SBOCCSQOHOTKLH-DZOHQFGASA-N	360.454	2.392	10	10	FECE	
CO[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCc2ccccc2O)C1	1187405940	OFTNEENPYMWKGF-LSDHHAIUSA-N	364.442	2.423	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2060639210	FPTITGXXNUPALY-STQMWFEESA-N	353.423	2.171	10	10	FECE	
COC1([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CC(N=[N+]=[N-])C2)CCCC1	2060640657	XHPGQJYAPFZAPH-LBPRGKRZSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@H]1CN(CCO)Cc1cc(N)ccc1O	2106675214	PWGWPMLNCGFZFF-INIZCTEOSA-N	365.474	2.168	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@@H](Nc2c(N)cccc2C(=O)O)CCO1	2108837801	LTAQRBHKKUIYIY-NWDGAFQWSA-N	365.430	2.451	10	10	FECE	
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-]	2218737880	LJSULGGJPISWFT-WUHRBBMRSA-N	353.423	2.358	10	10	FECE	
COc1cc(OC)c(N2CC(O)(CNC(=O)OC(C)(C)C)C2)cc1Cl	2258080955	CRYYAQOEJUNBAZ-UHFFFAOYSA-N	372.849	2.433	10	10	FECE	
O[C@H](c1ccc(N2CCNCC2)cc1)c1sncc1Br	2286071023	ICQXBFPFWHRJTD-CYBMUJFWSA-N	354.273	2.397	10	10	FECE	
COc1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3OC)C2=O)cc1	2297317952	OFFCJEYHBBLBAY-UHFFFAOYSA-N	367.361	2.283	10	10	FECE	
C[C@@H](CNC(=O)C=Cc1ccc(N2CCOCC2)cc1)Cn1ccnc1	2297771562	HPSWBCCNZFLXSL-KRWDZBQOSA-N	354.454	2.185	10	10	FECE	
C[C@H](CNC(=O)C=Cc1ccc(N2CCOCC2)cc1)N1CCCCC1=O	2311265566	LGOMFAHJJPLEOC-QGZVFWFLSA-N	371.481	2.054	10	10	FECE	
CO[C@H]1[C@H]([C@@H](N)c2ccccc2O)N(C(=O)OC(C)(C)C)C[C@H]1OC	2311985414	BYFJWRDQVDSBSJ-FXUDXRNXSA-N	352.431	2.041	10	10	FECE	
COc1ccccc1N1C(=O)NC(=O)/C(=C\c2nc3ccccc3[nH]2)C1=O	8626357	VULXYQRTZKWVNU-ZHACJKMWSA-N	362.345	2.238	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)CCSC)CC2)cc1	58585614	CINTZXJRSCVZJH-UHFFFAOYSA-N	351.516	2.077	10	10	FECE	
O=C(NCc1ccco1)C1=C2CCCN2c2ccc(F)cc2S1(=O)=O	65239738	HLELIUJBVHSVTD-UHFFFAOYSA-N	362.382	2.334	10	10	FECE	
Cc1nn(CC(=O)N(C)Cc2ccc(N(C)C)cc2)c(=O)c2ccccc12	28495185	WMUIJEYMPHFHCV-UHFFFAOYSA-N	364.449	2.430	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@H](O)C(F)(F)F	1951424496	LDGIDCCRCGMRKB-SKDRFNHKSA-N	351.321	2.457	10	10	FECE	
COc1ccc(N2CCOCC2)cc1NS(=O)(=O)Cc1ccccc1	41365263	PIHKTWUDCZHMBX-UHFFFAOYSA-N	362.451	2.474	10	10	FECE	
C[C@H](NCC1(CS(C)(=O)=O)CC1)c1ccc(N2CCC(O)CC2)cc1	90182761	LZQMFVLNGVUHLM-HNNXBMFYSA-N	366.527	2.123	10	10	FECE	
Cc1ccc(C(=O)N[C@H](C)c2ncc(Br)cn2)c(O)c1O	817279996	WMZLFKBFSXSKMG-MRVPVSSYSA-N	352.188	2.450	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)c3cnn4ccc(C)nc34)C2)cc1	819583388	WBQGBEFOSMACTA-HNNXBMFYSA-N	365.437	2.303	10	10	FECE	
Cc1cc(Br)cc([C@H](C)N[C@H]2CCC(=O)N(C)C2=O)c1O	818360757	CFAPIJFMVPEPPQ-CABZTGNLSA-N	355.232	2.261	10	10	FECE	
COc1ccc(N2CCCN(C(=O)c3cn(CC4CC4)nn3)CC2)cc1	825373952	YWXQXJLUEVXSOC-UHFFFAOYSA-N	355.442	2.049	10	10	FECE	
Cn1ccc(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)n1	904868776	FINPWISPFKFJRB-UHFFFAOYSA-N	351.391	2.353	10	10	FECE	
COc1ccc(O)c(CNC(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)c1	734067933	WGISWJNAJUXHJZ-QGZVFWFLSA-N	369.421	2.396	10	10	FECE	
C[C@H]1CN([C@@H](C)CNC(=O)NCc2cc(Cl)ccc2O)C[C@@H](C)O1	847408114	RKPUPOVFNMIAJQ-RWMBFGLXSA-N	355.866	2.343	10	10	FECE	
CN(C)[C@@H](CNC(=O)CN1CCCc2cc(CN)ccc21)c1ccccc1	843349789	CMLOTDYFEOCFRK-NRFANRHFSA-N	366.509	2.317	10	10	FECE	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)c[nH]1	743045867	CKKLKRRGYKGJPD-UHFFFAOYSA-N	364.408	2.121	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)N[C@@H]1CC[C@@H]2CNC[C@@H]2C1	842016230	TUXGFTOXADDHMK-UHIISALHSA-N	368.275	2.342	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3Cc4ccccc4CN3)C2)cc1	852901017	YDHSQBOGUJHQMW-XLIONFOSSA-N	351.450	2.105	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc(CN(C)C)nc3)CC2)cc1F	857464864	SJVSHPJXHUWIIP-UHFFFAOYSA-N	372.444	2.253	10	10	FECE	
COC(=O)[C@@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@@H]2CCC[C@H]12	859951133	JTIGSXOMOWYMCD-GUDVDZBRSA-N	373.497	2.032	10	10	FECE	
C[C@@H](NC(=O)N1C[C@H]2CC[C@H]1[C@H](CO)C2)c1ccc(N2CCOCC2)cc1	852012982	QQCFIJSQYOGXNM-JMVFIXPQSA-N	373.497	2.387	10	10	FECE	
CN(CC(C)(C)S(C)(=O)=O)C(=O)NCc1ccc(N2CCCC2)cc1	763477447	LTUSKOIAQPYQTK-UHFFFAOYSA-N	367.515	2.251	10	10	FECE	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCO[C@@H](CC(N)=O)C3)c2C)c1	863483827	DZHJDYQHMOTBBV-SFHVURJKSA-N	369.465	2.427	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@H]3[C@H](C2)C3(F)F)cc1F	1118669533	RUTFSGGQWGKMNW-AGIUHOORSA-N	369.387	2.058	10	10	FECE	
C[C@@H](NC(=O)N1CCS(=O)(=O)C(C)(C)C1)c1ccc(N(C)C)cc1	773614642	BIDZXEZAHJJPDX-CYBMUJFWSA-N	353.488	2.032	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1COCCN1CC(F)F	1136025206	AJQLPUDRTPBCLR-KRWDZBQOSA-N	367.440	2.211	10	10	FECE	
Nc1ccc(OCC(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1	705976954	UZYDUPITSZECAV-HDICACEKSA-N	351.450	2.238	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCC(=O)N=S(C)(C)=O)c1	1142752755	FMYVMQSNHDFRHN-UHFFFAOYSA-N	361.467	2.387	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccnc1N1CCC(O)CC1	1301688553	RDNHRZSFPBDSGR-GQCTYLIASA-N	355.394	2.106	10	10	FECE	
COc1nc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)co1	1261812090	BOZCUUIVHUFCLC-ZDUSSCGKSA-N	365.817	2.437	10	10	FECE	
C[C@@H](O)C(C)(C)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1351512384	DLVCJFJMPRCHDI-RHSMWYFYSA-N	350.507	2.062	10	10	FECE	
COc1ccc(N(C)C(=O)C2=C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)cc1	2136291183	VEIYUPDRBZABPB-HZPDHXFCSA-N	362.426	2.242	10	10	FECE	
CCN(CCF)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136240999	SWINNWWIVNJNGJ-ZDUSSCGKSA-N	370.421	2.352	10	10	FECE	
Cc1cccc(CN2CCO[C@H](CNC(=O)NCc3ccccc3O)C2)c1	1471101701	OOPBTQXOAJZIBP-LJQANCHMSA-N	369.465	2.401	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCc2nnc3ccc(Cl)cn23)cc1	1629989364	YQPSBNIDPUSSMJ-UHFFFAOYSA-N	357.761	2.475	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(-n2ccnc2O)c1	1567467563	MCBPIPNIDUVJIU-GFCCVEGCSA-N	353.378	2.350	10	10	FECE	
Cc1ccc(CN2CCO[C@@H](CNC(=O)c3cccc(O)c3O)C2)cc1	1642892765	JNUWNWZONCOINH-INIZCTEOSA-N	356.422	2.037	10	10	FECE	
O=C(NCc1c(O)cccc1F)c1cccc(N2CCCS2(=O)=O)c1	1652295865	TYXPMCDUWBMMKH-UHFFFAOYSA-N	364.398	2.001	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)NCC(C)(C)C(C)(C)O)N(C)C)cc1	1682545607	BEFWPYQKUIKLNJ-QGZVFWFLSA-N	364.534	2.452	10	10	FECE	
COc1ccc(CN[C@@H]2CC[C@H](CNC(=O)Cc3cc[nH]n3)C2)cc1C	1691216635	GQHAROQCPQCBFW-DLBZAZTESA-N	356.470	2.344	10	10	FECE	
CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1ccccc1O	1969155156	UVFXNLWZAVAFBD-GOEBONIOSA-N	364.442	2.280	10	10	FECE	
COC(=O)c1cnn(Cc2ccc(C)cc2O)c1I	2070354117	LURWRUCJXUXMGM-UHFFFAOYSA-N	372.162	2.337	10	10	FECE	
Cc1[nH]c(C2=S=Nc3ccccc32)nc(=O)c1I	2041910461	RADYYCYSPCQKFW-UHFFFAOYSA-N	369.187	2.163	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)N2CCC(N=[N+]=[N-])CC2)C1	2063391141	MHFMPVVAYTYDII-MRXNPFEDSA-N	353.423	2.050	10	10	FECE	
CC(C)(C)OC(=O)NCCc1n[nH]c(=NCc2cccc(F)c2O)o1	2083279867	OABVXOSGQZICOI-UHFFFAOYSA-N	352.366	2.016	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)COc2ccc(N)cc2)C1	2106235454	OHAKLRRCFFYIAK-ZFWWWQNUSA-N	363.458	2.457	10	10	FECE	
c1ccc(CN2CCN(Cc3ccc(N4CCNCC4)cc3)CC2)cc1	1235431192	MOUYZUJETSJUJA-UHFFFAOYSA-N	350.510	2.414	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N(C[C@H]1CCCN1)C1CC1	2310457084	YFFIWQIZKZGQSD-GOSISDBHSA-N	355.482	2.279	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1OC	2315987219	PCNDLSRDIGSQRM-QWHCGFSZSA-N	355.439	2.417	10	10	FECE	
COc1ccc(CN/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1	100359770	WWGVXYIRKLCOKL-SDNWHVSQSA-N	369.352	2.091	10	10	FECE	
COC(=O)CCCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	69245932	JCVOMWYVWWADSR-MRXNPFEDSA-N	364.442	2.426	10	10	FECE	
Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	55523454	DNRLGVOGRYTTPB-UHFFFAOYSA-N	374.372	2.204	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@](O)(C(F)(F)F)C1	176103374	ZYGXGYXIWDCYQO-INIZCTEOSA-N	355.360	2.272	10	10	FECE	
C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1nnnn1-c1ccccc1	115641053	SOUAICBGJCQILS-CQSZACIVSA-N	365.441	2.289	10	10	FECE	
COc1nc(C)nc(NCc2ccc(N3CCN(C(C)=O)CC3)cc2)c1C	191857957	UKAUFFJIMZRKTK-UHFFFAOYSA-N	369.469	2.383	10	10	FECE	
C[C@@H]1CCCN1S(=O)(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	248760029	UJWUCIGHFQTTGN-GDBMZVCRSA-N	354.472	2.102	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CCN(CC(F)(F)F)C3)CC2)cc1	279318521	FULUCLVMUIYOHQ-CQSZACIVSA-N	371.403	2.228	10	10	FECE	
Cc1ccc(CN2CC[C@H]3CS(=O)(=O)C[C@H]32)c(O)c1Br	2380714388	VKFTVSILIBTXEO-NWDGAFQWSA-N	360.273	2.082	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CCC(c3n[nH]c(=O)o3)CC2)c1O	295260286	GWQVMERAGIYRQJ-UHFFFAOYSA-N	351.790	2.304	10	10	FECE	
COc1ccc(N2CCN(Cc3cccc(S(C)(=O)=O)c3)CC2)cc1	294493456	AACKBIMEOCQBGW-UHFFFAOYSA-N	360.479	2.421	10	10	FECE	
C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1CCC(=O)Nc1ccc(N)cc1	2162947013	DACLILKZLODAOT-RISCZKNCSA-N	372.391	2.129	10	10	FECE	
COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1cc(Cl)c(F)cc1O	816521827	ZTIHKQKMMZQBDE-GBOPCIDUSA-N	371.792	2.110	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccnc(-c4ncc[nH]4)c3)CC2)cc1	814210298	CKRVIZTWNHVOIT-UHFFFAOYSA-N	363.421	2.443	10	10	FECE	
O=[N+]([O-])c1cc(Br)c(O)c([C@@H](C(F)F)N2CCNCC2)c1	575273070	YBGARHLUKOWWQV-JTQLQIEISA-N	366.162	2.274	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CC[C@@H]4C[C@@H]4C3)cc2)C1	825859917	XDEKFXNRWOEBOF-BRSBDYLESA-N	370.497	2.376	10	10	FECE	
CC(=O)c1cc(F)cc(CN2C[C@@H]3CC[C@H](C2)N3C2CCNCC2)c1O	903509902	CWFRMGFIYOSGOI-HDICACEKSA-N	361.461	2.135	10	10	FECE	
CN1CCN(C(=O)C2CCN(C/C=C/c3ccc(N(C)C)cc3)CC2)CC1	835052555	GGSCDUXZCRHRFH-SNAWJCMRSA-N	370.541	2.252	10	10	FECE	
C[C@H]1[C@@H](NC(=O)NCCc2ccc(N)cc2)CC(=O)N1Cc1ccccc1	841897145	VVLYLAMTBUFWCM-KXBFYZLASA-N	366.465	2.300	10	10	FECE	
CO[C@](C)([C@@H](N)Cc1ccc(O)c(O)c1)[C@@H](C)NC(=O)OC(C)(C)C	1953009348	JEEZIFFBMFSLTR-PSZVPEGOSA-N	354.447	2.286	10	10	FECE	
CC[C@@H](NCC(=O)NCC(=O)NCc1ccccc1)c1ccc(F)cc1O	926964743	NEVMUJUHPZOQFQ-QGZVFWFLSA-N	373.428	2.005	10	10	FECE	
COc1ccc(N2CC[C@H](N3C(=O)[C@H](c4cccnc4)N(C)C3=O)C2)cc1	924977543	IIQAPZIWZPDDAA-WMZOPIPTSA-N	366.421	2.304	10	10	FECE	
O=C1N[C@H](C2CC2)C(=O)N1Cc1ccc(N2CCN(CC3CC3)CC2)cc1	761933881	VSSYLFHTHXVTNH-LJQANCHMSA-N	368.481	2.049	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2CN1	861557570	QWDQXCVLOHPVBB-IJXRJRJASA-N	354.498	2.426	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(Cn2cccnc2=O)c1	779501834	SWPGLWNVPJXENC-VURMDHGXSA-N	363.373	2.355	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCOC[C@@H]3C)cc2)CC1	1117277724	CDDLKKZDBAGVHN-LPHOPBHVSA-N	373.497	2.080	10	10	FECE	
CCN1C(=O)C[C@H](C(=O)N2Cc3cccc(O)c3C2)[C@H]1c1cccnc1	871205121	ONHLKWPCRAWPAS-HNAYVOBHSA-N	351.406	2.239	10	10	FECE	
CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CCN1CC(F)F	774904508	SSTHNXLTNNRRPW-LBPRGKRZSA-N	359.373	2.470	10	10	FECE	
O=C(COC(=O)c1nnn(C2CC2)c1C(F)(F)F)c1ccc(O)c(O)c1	783948341	UHNNLLDXLBDOFQ-UHFFFAOYSA-N	371.271	2.083	10	10	FECE	
CC[C@@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)[C@H]1CCCOC1	897582812	DAPRVKWMVBMHEN-ZWKOTPCHSA-N	373.497	2.007	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CCC[C@]23CCCO3)cc1	897488726	KWHRKQMNBZHVPU-NQIIRXRSSA-N	373.497	2.367	10	10	FECE	
Cn1nccc1[C@@H]1COCCN1C(=O)c1cc2cc(O)c(O)cc2s1	898294087	HOENNDNSYVXWDA-LBPRGKRZSA-N	359.407	2.260	10	10	FECE	
Cc1cc(C(=O)NCC(=O)Nc2ccn(C)n2)c(C)n1-c1ccc(F)cc1	791250808	URHHWPXARQZNOP-UHFFFAOYSA-N	369.400	2.335	10	10	FECE	
C[C@H]1CN(CCCCNC(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H](C)O1	1137205307	XUGLSONBOZCRFA-OKILXGFUSA-N	361.446	2.468	10	10	FECE	
COc1ccc(CNC(=O)[C@H]2CSCN2C(=O)c2ccccc2)c(O)c1	794369162	CZEBREKSASRHQX-MRXNPFEDSA-N	372.446	2.232	10	10	FECE	
Cc1ccc([C@H](C)N=c2nc(CNC(=O)OC(C)(C)C)[nH]n2C)c(O)c1	2126793424	AGRKKNVPOHMXEN-LBPRGKRZSA-N	361.446	2.449	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2124509652	OOSTUQUMINJEGU-OGHNNQOOSA-N	365.434	2.314	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)C1	2124509836	PPIODWYFEIVDCC-UONOGXRCSA-N	366.466	2.134	10	10	FECE	
COc1ccc(N2CCN([C@@H]3CCCN(C(C)C)C3=O)CC2)c(OC)c1	1197105034	OHXIDKLJCAOTMD-GOSISDBHSA-N	361.486	2.225	10	10	FECE	
Oc1ccccc1CN[C@@H]1[C@H]2CO[C@@H](O2)[C@@H](Sc2ccccc2)[C@@H]1O	1614586035	AGUBEXLUYDPTRA-QQXKLLMISA-N	359.447	2.127	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2N)N(C)C)cc1	1558723258	LCFXYJPJOKNVFQ-SFHVURJKSA-N	371.441	2.276	10	10	FECE	
Cc1ccc(O)c(CNC(=O)c2ccc(F)c(S(=O)(=O)N(C)C)c2)c1	1629740722	OKFJERSMZKNHNZ-UHFFFAOYSA-N	366.414	2.020	10	10	FECE	
C[C@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)s1)c1ccccc1O	1557968478	ZWGBKJSJUCXAFB-VIFPVBQESA-N	374.871	2.263	10	10	FECE	
C[C@H](NC(=O)[C@H]1COCCN1CC(F)(F)F)c1ccc(N(C)C)cc1	1634448202	LWJCCXCFQYHHQR-SWLSCSKDSA-N	359.392	2.193	10	10	FECE	
CC[C@@]1(CO)CCCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1638917130	DQPVBTMOXVPIDI-QUCCMNQESA-N	362.518	2.302	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1cc(O)ccc1O)C1CCC1	1633599332	XOJHHWSWCKDWHX-OAHLLOKOSA-N	350.415	2.407	10	10	FECE	
O=C(c1cc2n(n1)CCC[C@@H]2O)N(Cc1ccccc1O)C[C@@H]1CCCO1	1636950638	FIJJNKZJYNLZIP-KXBFYZLASA-N	371.437	2.237	10	10	FECE	
O=C([C@H]1CCc2nnc(O)n2C1)N(Cc1ccco1)Cc1ccccc1O	1635647214	BLWFRIWIAFIEPP-AWEZNQCLSA-N	368.393	2.074	10	10	FECE	
CN1CCN([C@H]2CCCCN(C(=O)NCc3ccc(N(C)C)cc3)C2)CC1	155820574	OPDNLAVMABMWPO-FQEVSTJZSA-N	373.545	2.064	10	10	FECE	
C[C@H](N)c1ccc(N2CC[C@@H](CS(C)(=O)=O)C2)cc1Br	2143667433	GGBHBQSXUDNFQS-WDEREUQCSA-N	361.305	2.340	10	10	FECE	
CC(C)(C)OC(=O)N1CCS[C@H](C(=O)NCc2ccccc2O)C1	2010112288	XQYHAZKLPWWJNR-AWEZNQCLSA-N	352.456	2.361	10	10	FECE	
COC(=O)[C@@H](CCNCc1cccc(F)c1O)NC(=O)OC(C)(C)C	2028194485	BXUUCDLQBVHNRO-CYBMUJFWSA-N	356.394	2.077	10	10	FECE	
C[C@H](NC[C@H]1COCCN1C(=O)OC(C)(C)C)c1ccc(O)cc1O	310644476	HZGDPVBULVISQE-STQMWFEESA-N	352.431	2.384	10	10	FECE	
C[C@H]1CN(Cc2ccccc2)C[C@H]1NS(=O)(=O)Cc1ccc(N)cc1	389786951	MMBMWKZDZJTNGH-HNAYVOBHSA-N	359.495	2.209	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H]1CO[C@@H](CNC(=O)OC(C)(C)C)C1	934705163	SFKADLDGGHYKGD-LSDHHAIUSA-N	364.442	2.280	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2060616490	BCGQTVLWCQEBEU-STQMWFEESA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)NCCc1nc(=NCc2cc(Cl)ccc2O)[nH][nH]1	2063192366	HPWRZOVFCFPGFU-UHFFFAOYSA-N	367.837	2.265	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]([C@@H](N)c2ccccc2O)[C@H]1OC	2084658872	BYFJWRDQVDSBSJ-QXSJWSMHSA-N	352.431	2.041	10	10	FECE	
CO[C@@H]1CCN(Cc2cc(N)ccc2O)[C@H](CNC(=O)OC(C)(C)C)C1	2106680950	IXZDCYCVUNFIBG-JKSUJKDBSA-N	365.474	2.479	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@@H]3CN(C(=O)OC(C)(C)C)CCN3C)ccc21	2106860865	VCHPJCDXQHXAJQ-ZWKOTPCHSA-N	360.502	2.230	10	10	FECE	
N[C@H](Cc1ccc(O)c(O)c1)C(=O)OC1CCN(Cc2ccccc2)CC1	2287703549	JHCHAYKBAGUORR-GOSISDBHSA-N	370.449	2.175	10	10	FECE	
COC(=O)C=Cc1ccc(N2CCC(NC(=O)C3CC3)CC2)c([N+](=O)[O-])c1	2297111897	LMQLIUXTLNKSDW-UHFFFAOYSA-N	373.409	2.276	10	10	FECE	
CN1C(=O)CCc2cc(N3CCN(C(=O)Cc4ccccc4)CC3)ccc21	62093231	KMBXXZCZJXYTSI-UHFFFAOYSA-N	363.461	2.487	10	10	FECE	
O=C(O)/C=C/c1ccc(N2CCN(CC(F)(F)F)CC2)c([N+](=O)[O-])c1	327495825	PFIYCUNSSLPVBQ-DUXPYHPUSA-N	359.304	2.377	10	10	FECE	
CN(C)c1ccc(/C=c2\c(=O)sc3nc4nc5ccccc5c4nn23)cc1	138637049	BQOKEGALOCFULP-LFIBNONCSA-N	373.441	2.466	10	10	FECE	
CS(=O)(=O)CC[C@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1	366532587	DIUJYWNIKHCLHP-GOSISDBHSA-N	366.527	2.312	10	10	FECE	
Cn1ccnc1[C@@](O)(CNCc1cc(Cl)c(F)cc1O)C(F)(F)F	293667199	QBQJNDOAFAMJHS-ZDUSSCGKSA-N	367.730	2.458	10	10	FECE	
COc1cccc(O)c1CN=c1nc([C@@H](C)NC(=O)OC(C)(C)C)[nH][nH]1	2130115877	NBKSDWPUZBZMHE-SNVBAGLBSA-N	363.418	2.139	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)cc2)C1	822936444	AWGGSFHIOKDUJM-RWQQGDIJSA-N	355.482	2.441	10	10	FECE	
CC(F)(F)C(C)(C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	822621597	RROANEPIOVDIPZ-UHFFFAOYSA-N	374.453	2.219	10	10	FECE	
C[C@H](NC(=O)C1(CF)CCOCC1)c1ccc(N2CCOCC2)cc1	822786682	WHFNSMKKRJJHLJ-HNNXBMFYSA-N	350.434	2.467	10	10	FECE	
CC(C)(C)OC(=O)N[C@@](C)(C(=O)O)C1(c2ccc(O)c(O)c2O)CC1	1951965033	WAZHQKNBAFSCTC-INIZCTEOSA-N	353.371	2.203	10	10	FECE	
CO[C@H](CS(=O)(=O)Nc1ccc(O)cc1OC(C)C)C1CCOCC1	842589552	SRJAOHRQUKKFPE-QGZVFWFLSA-N	373.471	2.363	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)C2)cc1	855233071	WHQGABUCLMWXNG-SJORKVTESA-N	371.481	2.039	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCOC[C@@H]3CC(F)F)C2)cc1	854297611	PDQGYSXGLFBWNH-HIFRSBDPSA-N	369.412	2.340	10	10	FECE	
CCN(C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CCN(C)C1	854187588	NJFVZXIEXIOLTL-WMZOPIPTSA-N	360.502	2.257	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)cc1	853456391	IQKMINPFYMKPCQ-GOEBONIOSA-N	367.515	2.298	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@]3(C(=O)O)C[C@H]4CC[C@H]3C4)C2)cc1	852954731	QKMYCKGIXSXORA-KZDUYQQSSA-N	358.438	2.281	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3C[C@@H](C)C(O)[C@H](C)C3)C2)cc1	854186926	BMJQZGCRVWVOIU-BZUAXINKSA-N	361.486	2.180	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCOC[C@H]3C3CCC3)C2)cc1	854296228	HVJNTTMGEXDQHX-LPHOPBHVSA-N	359.470	2.484	10	10	FECE	
COc1cnc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(F)c1	865953725	XQYDENUUOOMCLF-UHFFFAOYSA-N	373.428	2.368	10	10	FECE	
COc1ccc2ccc(O)c(CN3CCN(c4nccnn4)CC3)c2c1	863271381	GMPDDLBXCZUVPM-UHFFFAOYSA-N	351.410	2.061	10	10	FECE	
COC(=O)[C@@]1(OC)CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1	862739093	GATPXOAWZNBXBI-HXUWFJFHSA-N	356.422	2.498	10	10	FECE	
CN(C)C(=O)CCN1CCN(Cc2ccc(N3CCCCC3)cc2)CC1	769507072	ZSDQCLBTKIHVCF-UHFFFAOYSA-N	358.530	2.273	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNc3ccc4c(n3)C(=O)CC4)cc2)CC1	882239928	OKPBHLVHFHDTBJ-UHFFFAOYSA-N	364.449	2.491	10	10	FECE	
CN(C)[C@H]1CCOc2c(NC(=O)C(=O)NCc3ccccc3O)cccc21	789435523	YCLLXTXEJBBRSG-INIZCTEOSA-N	369.421	2.032	10	10	FECE	
CC[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCCOC1	897865838	NJYKZEMXRDTQFR-LESCRADOSA-N	361.486	2.251	10	10	FECE	
C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1NC(=O)OC(C)(C)C	1304296318	OFBIAVHSIDOIDD-DGCLKSJQSA-N	350.415	2.012	10	10	FECE	
CC(C)[C@H](NC(N)=O)C(=O)Nc1c(-c2ccccn2)nc2ccccn12	1160563015	LXLGNCMVTYOERL-AWEZNQCLSA-N	352.398	2.028	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)CO1	2124505192	IVDTUKWCHZPGKD-MCIONIFRSA-N	367.450	2.465	10	10	FECE	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)NC(C)=O	1330249834	UJGSAVXCYGIMSI-UHFFFAOYSA-N	361.423	2.096	10	10	FECE	
O=C(c1cc(O)cs1)N1C[C@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1	1351115230	BJIAHRKNODFZQL-PRHODGIISA-N	369.386	2.035	10	10	FECE	
COC(=O)c1ccc(CNC(=O)c2cc3cc(O)c(O)cc3s2)cn1	1445152789	KYTNJWGFJKVYHV-UHFFFAOYSA-N	358.375	2.424	10	10	FECE	
COc1cccc(CNC(=O)c2cc(Br)cc(N)c2N)c1O	1445971692	XIRBAQXEBSMIFP-UHFFFAOYSA-N	366.215	2.258	10	10	FECE	
Cc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)ncc1C(N)=O	1298841256	MARXWBWUVGWWDY-UHFFFAOYSA-N	354.193	2.431	10	10	FECE	
O=C(CNC(=O)c1ccccc1C(F)(F)F)NCc1ccc(O)cc1O	1451767178	LNEXCWTXHNIEMA-UHFFFAOYSA-N	368.311	2.163	10	10	FECE	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\N1CCCc2ccccc21	1092594	WHRXWBIVBWSNJE-QINSGFPZSA-N	351.362	2.195	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CCCC2)n1C[C@@]1(O)CCOC1	1617940289	MFKMIKJLCHDXDK-FQEVSTJZSA-N	372.469	2.429	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NCc2cccc(O)c2O)CC1	1921716525	SWWOTBMRUTZHKA-HUUCEWRRSA-N	366.458	2.195	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NC[C@](O)(c1ccccc1)C(F)(F)F	1618658718	RQJWSSFJNNMXLW-INIZCTEOSA-N	355.312	2.207	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cc2n(n1)CCC[C@@H]2O	1557063388	MYKIETXJWIQBPS-LIRRHRJNSA-N	356.470	2.446	10	10	FECE	
O=C(NCc1ccccc1O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1	1566373984	PAXCVFZZHJOTAM-UHFFFAOYSA-N	352.350	2.475	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c(C)nnc1N1CCC(CC(N)=O)CC1	1742139818	WEDYGSKMONWRKO-UHFFFAOYSA-N	370.501	2.101	10	10	FECE	
Cc1nn(-c2cccnc2)nc1C(=O)NCc1ccc2c(c1)CCCN2C	1583627628	BAQCNBKNDBLLID-UHFFFAOYSA-N	362.437	2.283	10	10	FECE	
Cc1ccc(O)c(CNC(=O)C2(CC(=O)N3CCOCC3)CCCC2)c1	1584977420	IXFWICMZDBBDFO-UHFFFAOYSA-N	360.454	2.126	10	10	FECE	
CC(C)c1ccc(C(=O)NCCNC(=O)c2cc(O)c(O)c(O)c2)cc1	169911912	FVIJUCMKUJXJDG-UHFFFAOYSA-N	358.394	2.087	10	10	FECE	
O=S(=O)([C@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1)N1CCCC1	160451097	QLUCEFRFQYRLBO-SFHVURJKSA-N	364.511	2.271	10	10	FECE	
CCCCC(=O)N1CC[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1	1858356829	XSSAKHHWPOGKLV-QGZVFWFLSA-N	373.497	2.383	10	10	FECE	
O=C(N[C@@H]1CN(Cc2ccccc2)[C@]2(CCOC2)C1)c1ccc(O)c(O)c1	2154516412	CRSMUSRWOADERP-LAUBAEHRSA-N	368.433	2.261	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H](NCc2ccc(F)c(F)c2O)C1	2034716091	HEZSLCLOZOYZJJ-LBPRGKRZSA-N	358.385	2.396	10	10	FECE	
C[C@H]1CN(c2ccc([C@@H](C)N)c(Br)c2)C[C@@H](C)S1(=O)=O	400887249	JQQDDRNAPMLJNT-OUAUKWLOSA-N	361.305	2.481	10	10	FECE	
CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)CCc1ccc(N)cc1	2044213616	YGLQNLCQXXMYIS-UHFFFAOYSA-N	357.401	2.478	10	10	FECE	
C[C@@H](CCN(C)C(=O)OC(C)(C)C)NS(=O)(=O)Cc1ccc(N)cc1	2049144735	DESLSQCLAJDOMO-ZDUSSCGKSA-N	371.503	2.334	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C1	2063391208	MWQHWNZNAIMWQT-MLGOLLRUSA-N	353.423	2.050	10	10	FECE	
C[C@@H]1CCN([C@H](CN)c2ccc(N(C)C)cc2)C[C@@H]1NC(=O)C(F)(F)F	2194826468	ZEFIBDJTBSRGAA-UHOFOFEASA-N	372.435	2.141	10	10	FECE	
Cc1cccc(CNC(=O)COC[C@H](C)NC(=O)OC(C)(C)C)c1O	2084059374	RUDJIJGKYKNBMB-ZDUSSCGKSA-N	352.431	2.247	10	10	FECE	
C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)Cc1ccc(N)cc1	2106694507	IHLJOONZSOIXTA-ZETOZRRWSA-N	357.376	2.115	10	10	FECE	
CN1CCc2cc([C@H](O)[C@@H]3CN(C(=O)OC(C)(C)C)CCN3C)ccc21	2106795224	FJVVSOWDHKLILK-ROUUACIJSA-N	361.486	2.263	10	10	FECE	
CCCN(CCNC(=O)OC(C)(C)C)C[C@H](O)COc1ccc(N)cc1	2106747386	JCCACELSBNNUBZ-INIZCTEOSA-N	367.490	2.245	10	10	FECE	
CC(C)(C)OC(=O)N1CC(N(C(=O)Nc2ccc(N)cc2)C2COC2)C1	2106701955	XKCZOSDKKIGGPG-UHFFFAOYSA-N	362.430	2.121	10	10	FECE	
CN1CCCc2cc([C@@H](N)[C@H](O)C3CN(C(=O)OC(C)(C)C)C3)ccc21	2106941637	AVJUYODDPWURLR-QZTJIDSGSA-N	361.486	2.297	10	10	FECE	
COc1ccc(N2C[C@H](O)CC23CN(C(=O)OC(C)(C)C)C3)c(F)c1	2219615388	SWKJXUQQMLVJHF-GFCCVEGCSA-N	352.406	2.395	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(CNCc2ccc(O)cc2O)C1	2229487929	XLGYFEQYZOZPNF-IFXJQAMLSA-N	364.442	2.213	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-]	2253549378	ZYMJOPWRUWRNFN-FDYHWXHSSA-N	353.423	2.094	10	10	FECE	
Nc1ccc(CCC(=O)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)cc1	2270601526	OGUUFDFPVNEJIT-AWEZNQCLSA-N	357.376	2.261	10	10	FECE	
CN(C)c1ccc([C@@H](N)C2(O)[C@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1	2270725382	ISYMMDFIXWWHRD-YQQAZPJKSA-N	361.486	2.370	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2312333546	PRBCVUUSQUBAAH-FVCCEPFGSA-N	353.423	2.264	10	10	FECE	
CC(C)Cn1ncc2cc(C(=O)NCCc3ccc(O)c(O)c3)cnc21	122158134	MLDFMXCIAXXRFH-UHFFFAOYSA-N	354.410	2.471	10	10	FECE	
Cc1cc(C(=O)NS(=O)(=O)C[C@@H]2CCCO2)c(C)n1-c1ccccc1	180234286	JNZAJLCLDFOSLZ-INIZCTEOSA-N	362.451	2.333	10	10	FECE	
C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)N(C)Cc1ccccc1O	126633673	OWOOKFRNTGBTOF-AWEZNQCLSA-N	366.421	2.332	10	10	FECE	
O=S(=O)(C(F)F)[C@H]1CCN(Cc2ccc(Br)cc2O)C1	2368708858	DIXXFJAXRBXMFT-JTQLQIEISA-N	370.215	2.366	10	10	FECE	
O=c1cc(NCc2ccc(N3CCOCC3)c(F)c2)nc2ccccn12	194073518	IYINSDMHTQOCAD-UHFFFAOYSA-N	354.385	2.282	10	10	FECE	
O=C(Cc1ccon1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92643595	YRNYDMOKBUNMIW-UHFFFAOYSA-N	354.454	2.066	10	10	FECE	
COc1ccc(N2CCN(c3cnnc(N4CCC[C@H](C)C4)n3)CC2)cc1	240682143	AJAPBGVNUYUJGT-INIZCTEOSA-N	368.485	2.443	10	10	FECE	
COCc1nc([C@H]2COCCN2Cc2c(O)ccc(Cl)c2F)no1	370622085	KQNDIKRLCXBRBA-LLVKDONJSA-N	357.769	2.288	10	10	FECE	
CC(=O)C(=O)COC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F	808500182	HDQSNLYEPGHTQU-UHFFFAOYSA-N	358.247	2.345	10	10	FECE	
Nc1ccc(CC(=O)N2CC[C@@](CNC(=O)C(F)(F)F)(C3CC3)C2)cc1	2162979945	POFJAIGWGLMVHD-KRWDZBQOSA-N	369.387	2.119	10	10	FECE	
Cn1c(-c2ccccc2)cnc1SC[C@H]1CCN(S(C)(=O)=O)C1	806585848	MWLMDCYWRRWPRL-ZDUSSCGKSA-N	351.497	2.461	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1nc(C)ncc1Cl	819696499	VXPRFLABYYCQGQ-UHFFFAOYSA-N	363.801	2.350	10	10	FECE	
COC(=O)[C@@H]1OCC[C@@H]1NCc1ccc(OCc2ccccc2)cc1O	826962874	PXCGXSGXSIRFPT-PKOBYXMFSA-N	357.406	2.391	10	10	FECE	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)o1	730932904	UGSDXRNHYIPNMN-UHFFFAOYSA-N	365.392	2.386	10	10	FECE	
CCc1ccc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1OC	835281796	GBNJDAXOULPZQI-LBPRGKRZSA-N	372.421	2.355	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1	835027581	FGORAOURBNPCBM-PEAOBZDDSA-N	356.514	2.004	10	10	FECE	
CCC[C@@H](C)N1C[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O	917515714	DHLFNUUWCHUNCV-IAGOWNOFSA-N	373.497	2.381	10	10	FECE	
Cc1cn(CC(=O)N(CC(=O)O)Cc2ccccc2O)nc1C(F)(F)F	911492400	FEUXXNGNSGFONR-UHFFFAOYSA-N	371.315	2.029	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)[C@H]3CC[C@H]4CCCCN43)cc2)CC1	918831712	WJLXRXQRWYGQRZ-WOJBJXKFSA-N	356.514	2.072	10	10	FECE	
O=S1(=O)C[C@H](CNCc2cccc(Cl)c2O)Oc2ccccc21	843418505	URPMEZOHGGMSTC-LBPRGKRZSA-N	353.827	2.370	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H]([C@@H]4CCOC4)C3)C2)cc1	852453356	IGRGZKNXODMHGE-BBWFWOEESA-N	359.470	2.342	10	10	FECE	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21	856939098	UDZOPTZDCRZPFF-MRXNPFEDSA-N	360.435	2.203	10	10	FECE	
COc1ccc(COCC(=O)NCCCSc2nccs2)cn1	859350472	BMOXJZDDNGSARL-UHFFFAOYSA-N	353.469	2.362	10	10	FECE	
COc1ccc(NC(=O)C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1	850536345	JBSFFEZRGHGVEG-HNNXBMFYSA-N	369.421	2.037	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3CCc4nccnc4C3)C2)cc1	852386444	GBQCNRHZTOBAKU-HNNXBMFYSA-N	367.453	2.079	10	10	FECE	
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(O)cc1C(C)=O	758775302	VIAZNCQSSGZXNR-UHFFFAOYSA-N	366.351	2.312	10	10	FECE	
c1cc(N2CCSCC2)ccc1CNCc1cn(C[C@H]2CCOC2)nn1	865417325	GVCJENCXLDQNDY-QGZVFWFLSA-N	373.526	2.158	10	10	FECE	
CN(Cc1cc2c(cc1O)OC[C@@H]2O)[C@@H]1CCN(c2ccccc2F)C1=O	768446572	LERWKSQZCAWPLE-AEFFLSMTSA-N	372.396	2.194	10	10	FECE	
CN1CCN(c2ccc(CN3CCO[C@@](C)(C(F)F)C3)cc2F)CC1	1328902675	HRMOHRMOTLMSMJ-GOSISDBHSA-N	357.420	2.434	10	10	FECE	
Nc1ccc(O)c(CN2C[C@@H](CNC(=O)C(F)(F)F)C3(CCC3)C2)c1	2117412305	CPDSLCOGSXMCAP-GFCCVEGCSA-N	357.376	2.255	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2nccn2C1	2124542410	DVIXEWUTVLZDQK-GFCCVEGCSA-N	363.422	2.019	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCC(C)(C)C(C)=O	1320693045	TWUKLMDWTNHLLY-AWEZNQCLSA-N	365.426	2.084	10	10	FECE	
C[C@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)c1cncs1	1334001515	UIOAMNNEDSGFEN-LBPRGKRZSA-N	358.467	2.019	10	10	FECE	
C[C@H](NC(=O)C(=O)NC[C@@H]1CCC2(CCC2)CO1)c1ccc(N(C)C)cc1	1338554667	BIWFMIWEPIGJAF-YJBOKZPZSA-N	373.497	2.395	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]2CC[C@H]3C[C@H]2CO3)cc1	1262228123	VONCTSMLAWTPSB-LNLFQRSKSA-N	373.497	2.080	10	10	FECE	
Cc1cc(CC(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)c(C)n1-c1ccccc1	1621009535	HHYHUXIOMPFCNM-GOSISDBHSA-N	367.449	2.289	10	10	FECE	
Cc1nnc(N(C)C2CC2)n1Cc1ccc(N2CCC(CO)CC2)cc1	1492776429	YXQBZLXPTIQWOI-UHFFFAOYSA-N	355.486	2.442	10	10	FECE	
CC(=O)[C@@H](CCO)Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O	207288696	ZUFHNYGPBPJGGX-LBPRGKRZSA-N	354.358	2.003	10	10	FECE	
COc1cccc(CNC2(C(N)=O)CCN(Cc3ccccc3)CC2)c1O	2154498803	VNWLIMVTUHNECF-UHFFFAOYSA-N	369.465	2.011	10	10	FECE	
O=S(=O)(Nc1ccc(O)c(F)c1)c1cc(CO)oc1Br	2157759954	OLSUHULLXXIEPT-UHFFFAOYSA-N	366.164	2.180	10	10	FECE	
CN1CCc2cc([C@H](CN)N3C[C@@H]4C(NC(=O)OC(C)(C)C)[C@H]4C3)ccc21	2195182429	AKNVEASFGKBPOL-BQFCYCMXSA-N	372.513	2.134	10	10	FECE	
CN(CCC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1cccc(O)c1O	2056831449	SODQCOAFSKAHGV-UHFFFAOYSA-N	350.415	2.427	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COCC[C@@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2060632943	HMBJWQCZVUVLLD-RYUDHWBXSA-N	353.423	2.123	10	10	FECE	
COC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C1	2060638156	SVOQRIRTEPTKDA-OPGSHWCFSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1CC(=O)N1CCC(N=[N+]=[N-])CC1	2067685954	QAGFGFNVPVIXKE-AAEUAGOBSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc(N)cc2)C[C@@H]1CCO	2106698938	FXBMHJBQBMOFBN-HNNXBMFYSA-N	364.446	2.104	10	10	FECE	
CCOC(=O)c1ccc(N2NC(=O)C(=Cc3cc(C)ccc3O)C2=O)cc1	2293163910	OWMKQRIIOZQSOI-UHFFFAOYSA-N	366.373	2.339	10	10	FECE	
COc1ccc2occ(C=C3C(=O)NN(c4ccccc4)C3=O)c(=O)c2c1	2296212946	VHYOMIVRKPJQAC-UHFFFAOYSA-N	362.341	2.263	10	10	FECE	
CN(CC1(O)CCN(Cc2ccccc2)CC1)C(=O)c1cccc(O)c1O	2286354704	DXLHJGHHDUKGIA-UHFFFAOYSA-N	370.449	2.197	10	10	FECE	
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc([N+](=O)[O-])s3)C2=O)cc1	2296732998	KFLJCZCQHOHEJD-UHFFFAOYSA-N	373.346	2.331	10	10	FECE	
CCOc1ccc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1OC	2297335160	LEKPHCBQFOTWEJ-UHFFFAOYSA-N	370.361	2.349	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N[C@H]1CCCN(Cc2ccccc2)C1=O	2307987451	FQSDUINYXDNLED-KRWDZBQOSA-N	366.417	2.418	10	10	FECE	
COC(=O)C=Cc1ccc(N2CCNC(=O)[C@@H]2CC(C)C)c([N+](=O)[O-])c1	2310631745	LHDXYKJKOXQYJR-INIZCTEOSA-N	361.398	2.132	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2CNC(=O)COc1ccc(N)cc1	2333093011	RETBBCDWTJZONQ-MAZHCROVSA-N	361.442	2.019	10	10	FECE	
Cc1cc(C(=O)CN2CCS(=O)(=O)CC2)c(C)n1-c1ccc(F)cc1	103481916	BGUXBJNEFOFDQC-UHFFFAOYSA-N	364.442	2.146	10	10	FECE	
C[C@@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(C)(C)C	114474087	ATMLELNTZZNALM-CQSZACIVSA-N	351.466	2.303	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H]1CN1CCOCC1	175225317	HSRBPCDRAUQOKZ-HXUWFJFHSA-N	370.497	2.069	10	10	FECE	
CO[C@H]1C[C@@H](CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1	1261796167	ROWAIGFMYLECST-IZAXUBKRSA-N	373.497	2.177	10	10	FECE	
Cc1cc(N2CCN(C(=O)NCCCSc3nccs3)CC2)n[nH]1	187302810	OKWRFWKEDYLYCJ-UHFFFAOYSA-N	366.516	2.189	10	10	FECE	
COC(=O)c1coc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1	183682303	JNDFVCWUWLDECD-UHFFFAOYSA-N	372.421	2.205	10	10	FECE	
C[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCCO1	80010763	FWQCCAMVECBNIM-FZKQIMNGSA-N	365.449	2.154	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@@H]1C(=O)N1CCc2cc(O)c(O)cc2C1	2366907553	HDSPREJMEHLLLB-JJRVBVJISA-N	374.437	2.238	10	10	FECE	
CCN(CC)c1ccc(CN2CCCN(CCOC)C(=O)C2)cc1F	191704048	YUJAPXKHLJCFLS-UHFFFAOYSA-N	351.466	2.353	10	10	FECE	
CCOc1ccc(O)c(CN2CCc3cc(S(=O)(=O)NC)ccc32)c1	191550700	GVTFTVOHUASHRQ-UHFFFAOYSA-N	362.451	2.262	10	10	FECE	
CC[C@H]1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1	366496032	UVUFXLMKHSISHV-YVEFUNNKSA-N	352.387	2.386	10	10	FECE	
C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1CCC(=O)Nc1ccc(N)cc1	2162954457	YQNNYAGWDQTEHL-BXUZGUMPSA-N	372.391	2.129	10	10	FECE	
Nc1ccc(CCC(=O)N2C[C@H]3CC[C@H]2[C@H](NC(=O)C(F)(F)F)C3)cc1	2162971435	COCGPJYUOHFALE-CFVMTHIKSA-N	369.387	2.259	10	10	FECE	
COC(=O)[C@@H]1[C@H]2CN(Cc3cc(Br)cc(OC)c3O)C[C@H]21	814172777	CKVZIDHNNPKZNE-PJXYFTJBSA-N	356.216	2.014	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3CC[C@@H]4CNC[C@@H]4CC3)C2)cc1	818654925	GRUJNFSXYPPZOE-OKZBNKHCSA-N	372.513	2.163	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NCCCc2ncn(C)n2)cc1F	825965612	ZHTUHQFUHXQFLF-UHFFFAOYSA-N	362.453	2.232	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1	835051706	GWGXDDYVBLVWJZ-SUQGKYDKSA-N	365.543	2.369	10	10	FECE	
Cc1ncccc1/C=C/C(=O)N1CCCc2c(OCC(N)=O)cccc21	836873193	KTZCCOZJJQFFJP-MDZDMXLPSA-N	351.406	2.247	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N(C)Cc1cc[nH]n1	839225984	RSRYNJWCYSKUGT-UHFFFAOYSA-N	369.469	2.017	10	10	FECE	
CC[C@H](C(=O)OC(C)(C)C)N(C)CC(=O)NCc1ccc(N(C)C)cc1	844474295	NKTHEJQVRNWVDW-QGZVFWFLSA-N	363.502	2.421	10	10	FECE	
O=C(Cn1cc(C2CC2)cn1)NCc1ccc(N2CCOCC2)c(F)c1	844771987	ZDSKYWDLUGQSBI-UHFFFAOYSA-N	358.417	2.053	10	10	FECE	
COc1ccc(CNC(=O)[C@@H](C[C@@H]2COCCO2)C(F)(F)F)c(O)c1	846949788	JUQKSVYHZITXFU-CHWSQXEVSA-N	363.332	2.001	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC2(CO)CC2)C1	683492846	UIAUDZLTFVTNMC-UHFFFAOYSA-N	355.482	2.297	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn([C@H]2CCCNCC2)nn1	852882951	TXWVQPOZZHHVSC-SFHVURJKSA-N	370.501	2.321	10	10	FECE	
CN(C)c1ccc(CNC[C@]2(CO)COCCN2Cc2ccccc2)cc1	850395164	COTQRRABCYMTMX-QFIPXVFZSA-N	369.509	2.106	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)c3cc(C)nc(C)n3)cc2F)CC1	754250271	ZEIZNAHOMZKFRY-UHFFFAOYSA-N	371.460	2.304	10	10	FECE	
CN(C)c1ccc(CNC[C@@]2(CO)COCCN2Cc2ccccc2)cc1	850395163	COTQRRABCYMTMX-JOCHJYFZSA-N	369.509	2.106	10	10	FECE	
Cc1cncc(CCNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n1	852608527	XTUYIRBELUUYCU-UHFFFAOYSA-N	369.469	2.006	10	10	FECE	
COCCOc1ncccc1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	855228929	GDSVLSUGMGNZRI-HNNXBMFYSA-N	371.437	2.124	10	10	FECE	
CC[S@](C)(=O)=NS(=O)(=O)NCc1ccc(N2CCCCC2)cc1	866642117	CODDKLCCZNWLOI-QFIPXVFZSA-N	359.517	2.129	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@@H](O)[C@H]2CCCO2)cc1	862653089	FDEYEXVQSWOJJC-WOJBJXKFSA-N	370.449	2.105	10	10	FECE	
Cc1cc(C(=O)CN2C[C@H](C)[C@@H](O)C2)c(C)n1-c1ccc2c(c1)OCO2	768767153	BXAHSQMXXUQICJ-SJCJKPOMSA-N	356.422	2.318	10	10	FECE	
O[C@@H](CNc1ccccc1OC[C@@H]1CCCCO1)CC1(O)CCOCC1	872210839	ONCNSKVAGWNCET-SJORKVTESA-N	365.470	2.339	10	10	FECE	
COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCC3(C)CCC3)CC2)cc1	778312180	FXOKHRHQZBDOLC-CMDGGOBGSA-N	371.481	2.206	10	10	FECE	
C[C@@H]1NC(=O)CC[C@@H]1c1nnc(N(C)Cc2ccccc2O)n1CC1CC1	1123410265	RIEDQJMJIVXROY-BBRMVZONSA-N	369.469	2.412	10	10	FECE	
COc1ccc(CN2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)cc1F	1135615151	GNCYVGWHTDALKH-UHFFFAOYSA-N	374.412	2.132	10	10	FECE	
CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1cc2cc(O)c(O)cc2s1	896336425	JUQRKZDERKTTJR-SECBINFHSA-N	357.453	2.208	10	10	FECE	
COc1ccc(CNC(=O)NC2CCN(C(=O)OC(C)C)CC2)c(O)c1	793008592	DZBWVSUBIHCROZ-UHFFFAOYSA-N	365.430	2.209	10	10	FECE	
CCOc1ccccc1N1C[C@H](C(=O)NCc2cc(O)ccc2O)CC1=O	1176748396	RFPIBFMRXKOHGA-CQSZACIVSA-N	370.405	2.166	10	10	FECE	
CN1CCCc2cc(CN[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)ccc21	2126240469	PZOLPTFATRNNHB-SJLPKXTDSA-N	361.486	2.139	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCOCC[C@H]1C(=O)NCc1ccccc1O	2124289870	RRUYEFXCVDENAA-CABCVRRESA-N	364.442	2.328	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCC(N=[N+]=[N-])CC2)OCC12CC2	2127543552	MNXKJFVUIBNBDK-ZDUSSCGKSA-N	365.434	2.456	10	10	FECE	
CC[C@@H](NC(C)=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	1357323885	QNQSJMBQZTWJQQ-QGZVFWFLSA-N	350.374	2.315	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(c3nc[nH]n3)CC2)cc1	1452543120	SCUYZNNKLOMXNW-UHFFFAOYSA-N	350.426	2.175	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3nc(Cl)cs3)cc2)CC1	1533685114	VTNOSQZNSTWOCD-UHFFFAOYSA-N	350.875	2.478	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCCn2ncnc21	1543099370	YPJKDWOIMMPPCZ-MRXNPFEDSA-N	357.483	2.025	10	10	FECE	
CC[C@@H]1C[C@H]1C(=O)N(C)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1	1718173158	NANAXMWGUFVYIE-LALPHHSUSA-N	359.430	2.472	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](n2cncn2)C(F)(F)F)c1	1637637981	BZXFJNTXUAKLCR-NOZJJQNGSA-N	373.335	2.156	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)C1=NN(c2ccc(F)cc2)C(=O)CC1	1631438886	OADMWABOPFOWDD-UHFFFAOYSA-N	357.341	2.036	10	10	FECE	
CS(=O)(=O)c1cc(C(=O)NCc2cc(O)ccc2O)ccc1Cl	1644752626	NBZIDUBPXPAURA-UHFFFAOYSA-N	355.799	2.085	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)c2cnc(C3CC3)nc2N)N(C)C)cc1	1653421772	QFKSMZQVCALCQD-KRWDZBQOSA-N	368.485	2.035	10	10	FECE	
COCc1nnc2n1CCN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2	1585567481	OKWUSMVQFXUGRR-UHFFFAOYSA-N	365.437	2.488	10	10	FECE	
CC(C)c1nnc(N(C)Cc2ccccc2O)n1CCOCCN(C)C	1750611084	KSWNJYJGLYIBHK-UHFFFAOYSA-N	361.490	2.322	10	10	FECE	
Cc1cc(NS(=O)(=O)c2cc(Br)nn2C)cc(C)c1O	1964820147	OOCLYMVFQIQFDJ-UHFFFAOYSA-N	360.233	2.306	10	10	FECE	
CCN[C@H](c1ccccc1O)C1(O)CN(C(=O)OCc2ccccc2)C1	1979562870	VQYZFWRVSNMIJM-GOSISDBHSA-N	356.422	2.426	10	10	FECE	
COc1cc(C=C2SC(N3CCOCC3)=NC2=O)cc(OC)c1OC	2053487824	OOMSONMXRODLHX-UHFFFAOYSA-N	364.423	2.015	10	10	FECE	
CC(C)[C@H](CNC(=O)OC(C)(C)C)NC(=O)COc1ccc(N)cc1	2044212598	LIBKGFBONNFWFJ-HNNXBMFYSA-N	351.447	2.313	10	10	FECE	
C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060636511	YRYNWQWKJZWIQQ-AGIUHOORSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC1CC1	2080888657	QUMAKLKARJSYCJ-ZDUSSCGKSA-N	350.415	2.060	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(CNC(=O)COc2ccc(N)cc2)CC1	2106237825	UHAHNNWFELFNDZ-UHFFFAOYSA-N	363.458	2.411	10	10	FECE	
C[C@H](CCNC(=O)OC(C)(C)C)CCNC(=O)c1cc(O)c(O)c(O)c1	2268667598	ALLDXRPFNBDKFB-NSHDSACASA-N	368.430	2.474	10	10	FECE	
CSc1ccc(C=C2SC(=S)N([C@H](C(=O)O)[C@H](C)O)C2=O)cc1	2323823851	SNEZCPNJAFZUSH-UFBFGSQYSA-N	369.489	2.444	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C1	2331230471	PANVMNPAEPDXBV-IHRRRGAJSA-N	367.450	2.296	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)NC[C@H]3CN(C)CCO3)cc2)CC1	108443765	QTKFSOKDDKMRHA-IBGZPJMESA-N	360.502	2.053	10	10	FECE	
CCOC(=O)[C@H](C)N(Cc1ccccc1)C(=O)c1cc(O)c(O)c(O)c1	170190551	HCOQMKBKYBWABZ-LBPRGKRZSA-N	359.378	2.397	10	10	FECE	
Cc1cccn(CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1=O	181717353	IGTWBQXLQNHVCW-KRWDZBQOSA-N	356.422	2.070	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3CCN(C[C@@H](C)O)CC3)c2C)cc1	186841953	QHDQKGROFGNBMI-MRXNPFEDSA-N	371.481	2.241	10	10	FECE	
CCc1n[nH]c(=O)c(CNCc2cc(Cl)cc([N+](=O)[O-])c2O)c1CC	194659715	URGJTHKJZQQOJM-UHFFFAOYSA-N	366.805	2.452	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N1CCN2CCCC[C@H]2C1	255372218	GWKMSDRJWXKIEC-NSDNCLLMSA-N	355.482	2.233	10	10	FECE	
C[C@H]1CN(c2ccc(CNC3CCN(C(N)=O)CC3)cc2F)C[C@H](C)O1	268850029	KADUCXKIWAZNGK-KBPBESRZSA-N	364.465	2.072	10	10	FECE	
CCc1cnc(CCNC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1	807672591	DQSCPBCQWRTSGC-CYBMUJFWSA-N	374.510	2.308	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)[C@H]1CCn2cncc2C1	804732906	DZEWHMRJCZSOBA-JTQLQIEISA-N	350.216	2.230	10	10	FECE	
Cc1cc(CC(=O)N2CCS(=O)(=O)C[C@@H]2C)c(C)n1-c1ccccc1	828417748	ICCDRIYBCNYURP-HNNXBMFYSA-N	360.479	2.282	10	10	FECE	
C[C@H]1CN(CCO)CCN1Cc1ccc(OCc2ccccc2)cc1O	825339037	YWHMMBIPGAMNQY-KRWDZBQOSA-N	356.466	2.470	10	10	FECE	
C[C@H](NC(=O)N1CCC[C@]2(CCNC2)C1)c1ccc(N2CCOCC2)cc1	841739950	CPNCKKNSLPPQSV-LAUBAEHRSA-N	372.513	2.369	10	10	FECE	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCCN(Cc2nccn2C)C1=O	840936129	DSLIKYIXYXGQHP-GOSISDBHSA-N	355.486	2.075	10	10	FECE	
COc1cccc(N2CCC[C@H](NC(=O)C(=O)Nc3ccc(N)cc3)C2)c1	841039801	BFLSXKUYOYYAQU-INIZCTEOSA-N	368.437	2.001	10	10	FECE	
C[C@H]1CN(Cc2cc(O)n3ncc(C(=O)O)c3n2)CC2(CCCCC2)O1	848712574	NHUZIFZHIVADEQ-LBPRGKRZSA-N	360.414	2.057	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3)CC2)cc1F	844190225	AMYAGDXQNPQPKH-OLMNPRSZSA-N	361.461	2.404	10	10	FECE	
Cc1cc(C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)c(C)n1-c1ccccn1	848368414	NDYLHQDAPJHCSI-OAHLLOKOSA-N	354.410	2.202	10	10	FECE	
C[C@@H](NC[C@]1(CO)COCCN1Cc1ccccc1)c1ccccc1O	850554678	JYVATEBUFWSDKU-UTKZUKDTSA-N	356.466	2.306	10	10	FECE	
Cc1cc(CNC(=O)NCC[C@H]2CNC(=O)C2)c(C)n1-c1ccccc1	923457167	FYRMBLSCPYFFGK-MRXNPFEDSA-N	354.454	2.420	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1nnc(C2CC2)o1	865907024	AVTMHOPUTYRXTE-UHFFFAOYSA-N	356.426	2.086	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCCN(CC(F)F)C3)C2)cc1	869227908	CVWCPMVSWQAAPS-LSDHHAIUSA-N	367.440	2.367	10	10	FECE	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)o2)cc1OC	773230267	GDDUJBORWNBKNE-UHFFFAOYSA-N	374.440	2.159	10	10	FECE	
CC[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H](C)S1(=O)=O	897760513	SSVQQLNNZRMCNC-MWLCHTKSSA-N	369.464	2.350	10	10	FECE	
COc1ccc([C@H](C)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(O)c1	702796248	NZPRILAYOIGMKN-AHIWAGSCSA-N	366.458	2.279	10	10	FECE	
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(O)c1O	1303195617	XQGDVIMVTBBSHD-GFCCVEGCSA-N	370.471	2.360	10	10	FECE	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cnc(-c2ccccc2)nc1	1084610867	HKCBHSXWNNRGNX-SXGWCWSVSA-N	374.356	2.399	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[C@H]1C=CS(=O)(=O)C1	1162113820	JXHNJYPMZYGXSO-HUUCEWRRSA-N	350.484	2.057	10	10	FECE	
C[C@@H]1SCCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)[C@@H]1C	1246303878	SEPDBCXSLVHTME-CVEARBPZSA-N	362.543	2.474	10	10	FECE	
CN1CCc2[nH]c3ccc(C(=O)NCc4cccc(O)c4O)cc3c2C1	1348046727	JBHUAPNRBRSRLF-UHFFFAOYSA-N	351.406	2.497	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCCC[C@@H]1N1CCOCC1	1352910824	QSVPOTRLTFXDEV-IWDGFTLQSA-N	360.454	2.118	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2cccc(O)c2O)C1	1520510496	YHPLPTPJIZSXEQ-DJJJIMSYSA-N	362.426	2.361	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(NC(N)=O)cc1	1451918930	RKEYYQHOQZVQNT-UHFFFAOYSA-N	371.393	2.088	10	10	FECE	
Cc1cc(CN2CCN(CCN(C)C)C(=O)C2)ccc1N1CCCCC1	1473607439	QSSWFACQBWVLJV-UHFFFAOYSA-N	358.530	2.191	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(O)cc([N+](=O)[O-])c1	1557115798	WKPLNQUGJMYJJZ-UHFFFAOYSA-N	374.349	2.212	10	10	FECE	
COCCNc1nc(CC(=O)NCc2ccc3c(c2)CCCN3C)cs1	1626941444	ZXQVIMDNPOQHSE-UHFFFAOYSA-N	374.510	2.443	10	10	FECE	
COCCOc1ncccc1C(=O)NCc1ccc2cccnc2c1O	1557124116	WGLQFFABRRBMJQ-UHFFFAOYSA-N	353.378	2.291	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1	1631434124	KWHQOAVEQNZUHS-LLVKDONJSA-N	362.332	2.045	10	10	FECE	
COC(=O)c1cnc(CNC(=O)NCc2cccc(Cl)c2O)s1	1684144307	AREZDNRUEPPQIG-UHFFFAOYSA-N	355.803	2.288	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCc1nnnn1CC1CC1	1681910919	BPEDLNSHJWWVFC-UHFFFAOYSA-N	369.473	2.025	10	10	FECE	
CN[C@H]1C(=O)Nc2cc(N3C[C@H](C)O[C@H](C)C3)c(Br)cc21	157836427	DXFYPFOBIZHENA-TVLCNXBWSA-N	354.248	2.275	10	10	FECE	
CNC(=O)c1cc(C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)ccn1	1890770899	KRFMBOFAYAVAGF-YJBOKZPZSA-N	364.449	2.360	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@H](C)c1ccccc1O	1877550250	YIMYKYCHPDZLNF-XNRPHZJLSA-N	364.442	2.451	10	10	FECE	
C[C@H](NC(=O)c1cccc(O)c1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1	1965131135	KATKTXYMGVYVKO-RYUDHWBXSA-N	350.415	2.473	10	10	FECE	
C[C@H]1C[C@@H](CNCc2c(O)cccc2Br)CCS1(=O)=O	1966091709	XGYMGPBVMPHIFL-QWRGUYRKSA-N	362.289	2.458	10	10	FECE	
Cc1cc(Br)cc(CN2C[C@H]3CCS(=O)(=O)[C@H]3C2)c1O	2145071844	OHIDLYUISPJFAH-MFKMUULPSA-N	360.273	2.082	10	10	FECE	
COc1cccc(CN[C@@H]2COCC[C@H]2NC(=O)OC(C)(C)C)c1O	2031528209	NMKXDLWKAYJKJT-ZIAGYGMSSA-N	352.431	2.173	10	10	FECE	
COC(=O)[C@H](CCNCc1c(C)cccc1O)NC(=O)OC(C)(C)C	2042626809	PUTOTDWANPYRAD-AWEZNQCLSA-N	352.431	2.247	10	10	FECE	
CN(C[C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(CN)cc1Br	2285297974	YVIIOYYWMRHKLK-HAQNSBGRSA-N	361.305	2.167	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N[C@@H](CO)c1ccccc1	2306222943	NNVBZQXCTZWPCY-FQEVSTJZSA-N	352.434	2.386	10	10	FECE	
Cc1cc(C=CC(=O)N2CC[C@H](CO)[C@@H](O)C2)c(C)n1-c1ccccc1	2312495544	OSPKYUIGDQBLHP-QUCCMNQESA-N	354.450	2.309	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2312334266	QNQGXNYMDXQPAA-LPWJVIDDSA-N	353.423	2.264	10	10	FECE	
O=C(c1cccc(F)c1)N1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1	170908828	YBXKGCODXWLTNS-UHFFFAOYSA-N	359.357	2.398	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1	301645061	OZMKPZXWCXOFKU-QPJKDDTCSA-N	359.382	2.028	10	10	FECE	
CN1C(=O)/C(=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21	33326784	JEAVWYPQIONRJP-OUKQBFOZSA-N	362.432	2.099	10	10	FECE	
COCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(N2CCOCC2)cc1	125110685	BAFQJYUHAOYEMA-MAUKXSAKSA-N	371.485	2.447	10	10	FECE	
Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)N(C)Cc1ccccc1O	191935893	HTBLEDKPIGAQQF-UHFFFAOYSA-N	364.405	2.483	10	10	FECE	
Cc1cccn2c(=O)c(C(=O)N3CCOc4cc(N(C)C)ccc43)cnc12	91065752	ZXPQZVIBDYVIBJ-UHFFFAOYSA-N	364.405	2.108	10	10	FECE	
C[C@@H](N[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccc(N2CCOCC2)cc1	90062000	FCNFFOLKHNUBLC-HIFRSBDPSA-N	371.403	2.337	10	10	FECE	
COc1ccc(CNCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	243929476	RTUFWJGBRZXACY-UHFFFAOYSA-N	369.465	2.142	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N[C@H](CO)c1ccccc1	255755478	NNVBZQXCTZWPCY-NHHWLVAYSA-N	352.434	2.386	10	10	FECE	
COc1ccccc1N1CC[C@H](NC(=O)NCc2cccc(OC)c2O)C1	268302706	OQULDXFMOSQKJT-HNNXBMFYSA-N	371.437	2.488	10	10	FECE	
C[C@@H]1COCC[C@@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	277373438	FVNHTJNAVDWDSZ-BEFAXECRSA-N	361.486	2.120	10	10	FECE	
CC[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N(CC)CC)cc2)CCO1	817705315	DFCDZTCUTYTLII-SJLPKXTDSA-N	361.486	2.223	10	10	FECE	
Oc1c(Br)cccc1CN1CCC(N2CC[C@H](O)C2)CC1	827699262	FWGSBFBYTPSYFP-AWEZNQCLSA-N	355.276	2.186	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)NCc3ccccc3C)C2)cc1	826672678	CTEXNHASJAMFRH-KRWDZBQOSA-N	367.449	2.015	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](CO)c2cncn2C)c1	912612783	RDKLUVGIBKAVNT-GOSISDBHSA-N	366.421	2.104	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC(F)(F)C[C@H]1CO	840481116	GQNHMRLLYCIDCK-BBRMVZONSA-N	355.429	2.404	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)NCc3c(O)cccc3F)cc2)CC1	924007590	OLJSBLHNKDBLMT-UHFFFAOYSA-N	372.444	2.283	10	10	FECE	
CC(C)=CC[C@@H]1NC(=O)N(Cc2ccc(N3CCC(O)CC3)cc2)C1=O	925005176	ZCMTZODRMHANKT-SFHVURJKSA-N	357.454	2.424	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3ccn4ccnc4c3)C2)cc1	852455924	WOQVQBXILAYZAN-MRXNPFEDSA-N	365.437	2.421	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Cn3ncc4ccccc43)C2)cc1	855231955	PBVROJXGQSZNEP-MRXNPFEDSA-N	350.422	2.440	10	10	FECE	
COCCNC(=O)c1cccc(NC(=O)N2Cc3cccc(O)c3C2)c1	931382110	LOXBKJFROAWGBH-UHFFFAOYSA-N	355.394	2.316	10	10	FECE	
CO[C@@H]1CC[C@@H](C)N(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	868117323	RXPCSLKCSRBRSE-GDBMZVCRSA-N	365.449	2.371	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3c[nH]nc3[C@H]3CCCO3)CC2)cc1F	866458996	DYNZSIJACFMYHS-QGZVFWFLSA-N	374.416	2.371	10	10	FECE	
C[C@H](NC(=O)NCCS(=O)(=O)Cc1ccccc1)c1ccccc1O	868188766	LSHJHXOLSIWPMD-AWEZNQCLSA-N	362.451	2.367	10	10	FECE	
CCOC(=O)C1(CC(=O)NCCCSc2nccs2)CCOCC1	865783020	KLLCVHQAUNWXSF-UHFFFAOYSA-N	372.512	2.492	10	10	FECE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	897488777	LTCPYOKLLRORRN-SKWUIDRYSA-N	355.482	2.311	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N[C@@]2(C(=O)O)CCSC2)cc1F	797719542	PNZWHHLXOWGUDV-KRWDZBQOSA-N	369.462	2.431	10	10	FECE	
O=C(NCc1nc(COc2ccccc2)n[nH]1)NCc1c(O)cccc1F	1226673624	JHVVLJOMVDIFAK-UHFFFAOYSA-N	371.372	2.228	10	10	FECE	
C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1cccc(O)c1O	2118175605	JHGHBQVGQDCAIE-YRGRVCCFSA-N	362.426	2.425	10	10	FECE	
C[C@@H](C(=O)N1CCC(N=[N+]=[N-])CC1)N1CCN(C(=O)OC(C)(C)C)CC1	2124512399	LNUHKQLGOGKTAP-ZDUSSCGKSA-N	366.466	2.229	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CC(=O)NCCc1ccc(O)c(O)c1)C(F)F	1636022343	JLNSJTIDJZUCPP-NSHDSACASA-N	374.384	2.305	10	10	FECE	
CN1CCN(c2ccc(CN3CCO[C@H](C(F)F)CC3)cc2F)CC1	1330083199	VBQKQTBAOOTUEI-KRWDZBQOSA-N	357.420	2.434	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1(C)C	2132400451	MUXFDSMWJDWEKR-QWHCGFSZSA-N	366.414	2.225	10	10	FECE	
CCN(C(=O)C1=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)c1cccc(O)c1	2131518308	AMWIIAUGILNHNB-JKSUJKDBSA-N	362.426	2.329	10	10	FECE	
CN(C)c1ccc(CN(C(=O)C(=O)NC[C@H]2CCOC2(C)C)C2CC2)cc1	1261732301	RCMQCEYAHJLOGV-MRXNPFEDSA-N	373.497	2.175	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)NCC1CCC=CCC1	1340536127	XLFZOMYHJRLBJL-UHFFFAOYSA-N	371.481	2.002	10	10	FECE	
CCn1c(S)nnc1CNC(=O)c1cc2cc(O)c(O)cc2s1	1443455012	GLHOVQAPMREREZ-UHFFFAOYSA-N	350.425	2.143	10	10	FECE	
CCc1nnc(N2CCCC2)n1Cc1ccc(N2CCOCC2)c(F)c1	1293047930	QHGOZKCWEVOJQO-UHFFFAOYSA-N	359.449	2.465	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(-c2ccc[nH]2)n1Cc1ccn(C)n1	1298363926	OQNMTQSYYYWTSE-UHFFFAOYSA-N	363.425	2.397	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/[C@H]1COC(C)(C)O1	1463775191	HLFJGGXMZOELGB-BLGFXRMMSA-N	360.454	2.189	10	10	FECE	
Cn1c(C(F)(F)F)nc2cncc(C(=O)NCc3ccc(O)c(O)c3)c21	1465953469	GTNBZFJKMYRZCZ-UHFFFAOYSA-N	366.299	2.328	10	10	FECE	
CC(C)[C@H](C(=O)NCc1c(O)cccc1O)N1Cc2ccccc2C1=O	1558535271	DTQHQVCJUZKHAC-GOSISDBHSA-N	354.406	2.395	10	10	FECE	
COc1ccc(C2(C(=O)NCc3c(O)cccc3O)CCOCC2)cc1	1645360829	LDVNOENLFMKMHO-UHFFFAOYSA-N	357.406	2.471	10	10	FECE	
Cc1cccc(CNC(=O)[C@@](C)(NC(=O)OC(C)(C)C)C(C)(C)O)c1O	2139760704	BWABOZIKDIDMAY-LJQANCHMSA-N	366.458	2.371	10	10	FECE	
Cc1cccc(CNC(=O)CO[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1O	2139746857	XHJSESHYMBDHHJ-OAHLLOKOSA-N	364.442	2.343	10	10	FECE	
C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C1(O)CCC1)c1ccccc1O	1877573202	IGKACXFIQJPJDL-DOMZBBRYSA-N	364.442	2.378	10	10	FECE	
CN1CCc2cc([C@H](CN)N3CC(CNC(=O)OC(C)(C)C)C3)ccc21	1881552306	AOCDXQZSSXPGRN-SFHVURJKSA-N	360.502	2.135	10	10	FECE	
CC(C)(C)OC(=O)NCc1nc(=NCc2ccc(O)c(O)c2)s[nH]1	2014199254	WXPIUUGMGPFUDI-UHFFFAOYSA-N	352.416	2.008	10	10	FECE	
O=C1NC[C@@]2(CCN(Cc3cc(Cl)cc(Br)c3O)C2)N1	2177680373	LXCGZCLZFCBETI-CYBMUJFWSA-N	360.639	2.065	10	10	FECE	
CCOc1cccc(CNC[C@@](C)(CO)NC(=O)OC(C)(C)C)c1O	2060805424	DGGFVFRCAYAURL-SFHVURJKSA-N	354.447	2.156	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1CC(=O)N1CCC[C@H]1CN=[N+]=[N-]	2067675488	ARXHLYBESHHNHF-FRRDWIJNSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](O)(CNCc2c(O)cccc2F)C1	2081459076	BZWNSIYYJHXTIN-GOSISDBHSA-N	354.422	2.383	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(CCC(=O)Nc1ccc(N)cc1)C2	2106765725	LGZZTHRJBQQSAX-ORAYPTAESA-N	360.458	2.196	10	10	FECE	
Nc1ccc(NC(=O)C=Cc2ccc(S(=O)(=O)NC3CC3)cc2)cc1	2301561982	OZRFOLGJWLJDKZ-UHFFFAOYSA-N	357.435	2.361	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC[C@@H](N=[N+]=[N-])C2)C[C@@H]2OCC[C@@H]21	2310284219	SEEQSDPFCASNBA-VOAKCMCISA-N	351.407	2.065	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)c1c[nH]nc1CCNC(=O)OC(C)(C)C	2315988452	ISGLOWBFCOIELZ-UHFFFAOYSA-N	351.411	2.249	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2cccc(O)c2O)C2(CC2)C1	2336346902	FJYSDGHTWAQHLS-GFCCVEGCSA-N	362.426	2.475	10	10	FECE	
Cc1cc(C(=O)CN2CCS(=O)CC2)c(C)n1-c1ccc2c(c1)OCO2	111222422	CKIKWPUYGZEUDZ-UHFFFAOYSA-N	374.462	2.070	10	10	FECE	
NC1=NC(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(O)cc3)cc2)S1	210900366	GJFDNBYYUNGZEM-OQLLNIDSSA-N	369.402	2.339	10	10	FECE	
CS(=O)(=O)[C@H]1CCC[C@@H]1NCc1ccc(N2CCSCC2)cc1	182495003	FCKUUDATZXUXCR-IRXDYDNUSA-N	354.541	2.295	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCCc2[nH]ncc21	132564173	TWGQDOFNYMTFET-KRWDZBQOSA-N	354.454	2.325	10	10	FECE	
CN[C@@H]1C(=O)Nc2cc(N3C[C@@H](C)O[C@H](C)C3)c(Br)cc21	92774794	DXFYPFOBIZHENA-NUPCCRGMSA-N	354.248	2.275	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@H]5O)CC2)cc1	249556223	LYDRUDCVENBPBG-QGCVXUCCSA-N	371.481	2.075	10	10	FECE	
Cn1ccc(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)n1	805705384	DYPYORUFNIFDRR-UHFFFAOYSA-N	370.453	2.103	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)c3csc(C)c3)nc12	803757186	HYMLBBUDLWVQQO-UHFFFAOYSA-N	361.379	2.339	10	10	FECE	
COc1ncncc1NC(=O)NCc1cc(Br)ccc1O	806350589	XEBJISBEJMQDJA-UHFFFAOYSA-N	353.176	2.275	10	10	FECE	
COc1ccc(N2CC[C@H](CNS(=O)(=O)[C@@H]3CCO[C@@H](C)C3)C2)cc1	819888475	WNAVQLZKGNSQMB-HDMKZQKVSA-N	368.499	2.008	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H](OC)c1ccc(O)cc1	819697002	LDYNEVLGHPBCPQ-IBGZPJMESA-N	373.405	2.377	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cc(F)cc(F)c1F	815612484	OBWDFKUZKABIFJ-QMMMGPOBSA-N	368.311	2.201	10	10	FECE	
Cc1c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)nn2c1OCCC2	822786713	WVQVULMQAWEUTL-HNNXBMFYSA-N	370.453	2.302	10	10	FECE	
CCC/C=C/[C@H](O)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	909855089	BAAYQFOGACKZGL-APHBUQMISA-N	354.397	2.135	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCN(c2cc(C3CC3)[nH]n2)CC1	588529846	JFNJNHXYHAASGB-KXFIGUGUSA-N	354.410	2.060	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)N3C[C@@H](C)[C@@H]3C)CC2)cc1	837392218	UEKQNDFEYWZINL-SJORKVTESA-N	360.502	2.257	10	10	FECE	
O=C(O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)NCc1ccc2cccnc2c1O	911698585	AJVOXSYYBJYJNY-RKLWJJNISA-N	352.390	2.470	10	10	FECE	
COc1ccc(N2CCC(NC3C[C@@H]4CC[C@H](C3)S4(=O)=O)CC2)cc1	922849527	LBSHXFBAOKKLDI-QNBRMCRTSA-N	364.511	2.362	10	10	FECE	
C[C@@H](NC[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(N2CCOCC2)c(F)c1	926943305	BZFHZRVIAOIULD-ZIGSKRJUSA-N	350.434	2.117	10	10	FECE	
CC(C)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H]1CCCCO1	759093009	HHRWSZPECXNOCQ-OAHLLOKOSA-N	370.471	2.089	10	10	FECE	
COc1cccc(CNC(=O)N[C@@H](CCN(C)C)c2cccnc2)c1O	925903203	RCQUSNWRAVUDDJ-INIZCTEOSA-N	358.442	2.288	10	10	FECE	
CO[C@@H]1CCC[C@H]([C@@H](CO)NCc2ccc(N3CCN(C)CC3)cc2)C1	850353621	IRVGKRMHUHYPPL-CEWLAPEOSA-N	361.530	2.094	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3ccc(F)c(C)c3)C2)cc1	850535951	FDDRHEUPXPYGJD-HNNXBMFYSA-N	371.412	2.476	10	10	FECE	
CO[C@@H]1CCC[C@H]([C@H](CO)NC(=O)NCc2ccc(N3CC=CC3)cc2)C1	852138915	WAIATKIZBKYGGB-SXLOBPIMSA-N	373.497	2.428	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)c1c2c(nc3ncnn13)CCC2	865417963	FICAMNPMQPYRIJ-UHFFFAOYSA-N	364.453	2.086	10	10	FECE	
COc1ccc(N2CC[C@@H](CNS(=O)(=O)C[C@H]3CCC3(F)F)C2)cc1	867428282	IJPQDNZXHCEQKC-UONOGXRCSA-N	374.453	2.486	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCOC[C@@H]1C	1117464515	JEMQKASVLXTOTI-YJBOKZPZSA-N	361.486	2.031	10	10	FECE	
Cc1cc(C(=O)CN2C[C@@H](C)O[C@@H](CO)C2)c(C)n1-c1ccc(F)cc1	787314236	CPAPYLNPVIQIOK-RDTXWAMCSA-N	360.429	2.498	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)C3CN([C@@H]4CCOC4)C3)cc2)CC1	896264683	HCFHKRDJTOZWEW-HXUWFJFHSA-N	357.498	2.260	10	10	FECE	
COCCN1CC[C@H](NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1	784607679	XOLCAOBVHLXAFJ-NRFANRHFSA-N	372.557	2.029	10	10	FECE	
COC(=O)c1c(CNCCS(=O)(=O)C(C)C)c2cc(F)ccc2n1C	894786141	FQFJGWYNZPWHJZ-UHFFFAOYSA-N	370.446	2.017	10	10	FECE	
C[C@@H]1OCCN(Cc2cc(Cl)cc(Br)c2O)[C@H]1C(=O)O	708076566	XBKUWHPBTNDFSM-WRWORJQWSA-N	364.623	2.482	10	10	FECE	
O=C(Cn1cc(Br)ccc1=O)NCc1cc(Cl)ccc1O	1146233261	SIENWJUPFLAKFH-UHFFFAOYSA-N	371.618	2.286	10	10	FECE	
COc1ccc(N2C[C@@H](NC(=O)/C=C\c3ccc(O)c(O)c3)CC2=O)cc1	1165959334	IPXNEHVJMWAIJO-SILGHJDOSA-N	368.389	2.041	10	10	FECE	
CC(C)CN1CCO[C@@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1	1334735066	PJFXYYYCOVIBDR-ZDUSSCGKSA-N	364.467	2.399	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)c2cccc3nccn23)N(C)C)cc1	1289599800	JDQGGOQQASDWTD-SFHVURJKSA-N	351.454	2.433	10	10	FECE	
O=C(NCc1cccc(Br)c1O)c1cc2n(n1)CCC[C@H]2O	1297439417	HQOINAQNAGKAMY-CYBMUJFWSA-N	366.215	2.108	10	10	FECE	
Cc1ccc(CN2C[C@@H](C(=O)NCc3cc(O)ccc3O)CC2=O)cc1	1633595150	KFRPKUARSSVJAO-INIZCTEOSA-N	354.406	2.071	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C2(O)CCC2)c1O	2139760367	RCEHBXIDHUWLQS-OAHLLOKOSA-N	364.442	2.125	10	10	FECE	
Cc1cccc2nc(C(=O)O)c(/N=N\c3ccc(S(N)(=O)=O)cc3)n12	1857801409	MDOLWMYZPKHPSA-HNENSFHCSA-N	359.367	2.404	10	10	FECE	
Cc1nc(I)c(N)c(N(C)Cc2ccccc2O)n1	1877546234	SUDMLBLOSPUIFT-UHFFFAOYSA-N	370.194	2.314	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](C(=O)NCc1ccccc1O)[C@H]1CCOC1	1964890084	PTDGDNNIFGVUFL-LSDHHAIUSA-N	364.442	2.186	10	10	FECE	
CN(c1ccc(CN)c(Br)c1F)[C@H]1CS(=O)(=O)C1(C)C	2153846905	XQWTZOTVGUJMQW-JTQLQIEISA-N	365.268	2.059	10	10	FECE	
CN[C@H](C)c1ccc(N2C[C@H]3C[C@H]2CS3(=O)=O)cc1Br	321116305	BRLDZRFLBWYESH-ADEWGFFLSA-N	359.289	2.105	10	10	FECE	
O=C(c1cccc(O)c1O)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1	2185523095	UJULPSQREFZUCA-HKUYNNGSSA-N	368.433	2.213	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccc(O)c(O)c1)C(F)(F)F	2054398938	HHUJSXNAOZFYSQ-NSHDSACASA-N	364.320	2.283	10	10	FECE	
C[C@H]1COC[C@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])N1C(=O)OC(C)(C)C	2060620449	AKSVWDDBPABUFE-YNEHKIRRSA-N	353.423	2.312	10	10	FECE	
CC[C@@H](NCC1(C(N)=O)CN(C(=O)OC(C)(C)C)C1)c1ccccc1O	2102952791	UTHKUJWYPLOTDM-CQSZACIVSA-N	363.458	2.155	10	10	FECE	
Nc1ccc(OCCCN2CCC(CNC(=O)C(F)(F)F)CC2)cc1	2106690476	MJDXCGWHYHULHL-UHFFFAOYSA-N	359.392	2.428	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](NC(=O)COc2ccc(N)cc2)C1	2226270265	SZGPDESSPOJTQN-GXTWGEPZSA-N	367.421	2.111	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc3c(c2)COCC3)CC[C@@H]1CO	2226716138	RRUYRAHTZMVUMS-CRAIPNDOSA-N	362.470	2.471	10	10	FECE	
Cn1ncc(NC(=O)CCc2ccc(N)cc2)c1I	2265380815	VHBAUACDRRXMCQ-UHFFFAOYSA-N	370.194	2.178	10	10	FECE	
COc1ccc(NC=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1	2297358687	APUMJPMIBLFJHG-UHFFFAOYSA-N	353.403	2.439	10	10	FECE	
CCN(CC)CCNC(=O)c1ccc(N=NN2CCN(CC)CC2)cc1	2330149453	HMEHELYGMKYIOX-UHFFFAOYSA-N	360.506	2.394	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12C[C@H](C1)[C@@H](C(=O)N1CC[C@H](N=[N+]=[N-])C1)CO2	2342995653	LFBIKJNIGACIOC-NEULZYRMSA-N	365.434	2.218	10	10	FECE	
C[C@@H]1CC[C@@H](C)N(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	174465102	RIHKCTSUXLFSLG-HZPDHXFCSA-N	363.477	2.399	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCS(=O)(=O)[C@@H](C)C1	172375310	HJTLNHZMBXERJV-ZDUSSCGKSA-N	352.481	2.415	10	10	FECE	
CO[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC[C@@H]1C	187408374	OTOGRTMARKTOKC-KBXCAEBGSA-N	365.449	2.229	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CCC(c3nc(=O)[nH][nH]3)CC2)c1O	289576002	YVAUKCSWNOMBAH-UHFFFAOYSA-N	350.806	2.039	10	10	FECE	
COCc1n[nH]c(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1	821177817	OCOCGWFOLKZXQQ-UHFFFAOYSA-N	372.473	2.283	10	10	FECE	
COC(=O)c1cnc(SC[C@H](O)CN2CCc3ccccc3C2)s1	834382167	FOZNWSMEPFIQHC-CQSZACIVSA-N	364.492	2.441	10	10	FECE	
COC(=O)[C@@H]1CC[C@H](C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)C1	839700570	SILMFZAWZQHHRR-UONOGXRCSA-N	364.417	2.072	10	10	FECE	
CCOC(=O)[C@](C)(O)CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C	832168965	UCROPNGYTKPQID-HXUWFJFHSA-N	358.438	2.067	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](CO)c2cncn2C)c1	912612784	RDKLUVGIBKAVNT-SFHVURJKSA-N	366.421	2.104	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCCS(=O)(=O)C[C@H]2C)cc1	914254249	CVUNWODUPZUVHW-OAHLLOKOSA-N	367.515	2.251	10	10	FECE	
Cc1cc(O)c(CNCC2(N3CCOCC3)CCN(C)CC2)c(Cl)c1	840954932	METQHOAKDOYLKJ-UHFFFAOYSA-N	367.921	2.240	10	10	FECE	
COCC[C@H](COC)NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	840376641	HQTVXPKZVLJBBW-DOTOQJQBSA-N	351.491	2.343	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3[C@H]4CCCC[C@H]34)cc2)C1	746147247	MMANSWCNNNISOX-NJAFHUGGSA-N	355.482	2.441	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCCc3c(cnn3C)C2)c([N+](=O)[O-])c1	840358147	HPEOTYVGVQDZPH-SOFGYWHQSA-N	356.382	2.467	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H]3CCNC34CCCC4)cc2)C1	925484428	FFMWYTLZIMCPMP-MJGOQNOKSA-N	356.514	2.153	10	10	FECE	
Cc1cccc(CS(=O)(=O)CCC(=O)NCc2c(O)cccc2F)c1	928706264	QCULAHOATNRYDX-UHFFFAOYSA-N	365.426	2.461	10	10	FECE	
COc1cc(N2CCO[C@@H](CCCN(C)C)C2)c([N+](=O)[O-])cc1OC	853990367	MOWPMXUHHGFAMQ-ZDUSSCGKSA-N	353.419	2.159	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC3C[C@@H]4CC[C@H](C3)N4C)C2)cc1	852371433	GLACYTRCEMTUTI-UNPWZGGWSA-N	358.486	2.198	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CN(C4CC4)C[C@H]3C)C2)cc1	852199737	CJHWTGINFUYXMC-ZRGWGRIASA-N	358.486	2.056	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ncn(-c4ccccc4)n3)C2)cc1	853817763	MIDXKAUWHFSGPN-OAHLLOKOSA-N	363.421	2.285	10	10	FECE	
COc1nnc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1	931029856	DURXJNPWFPEYNY-ZDUSSCGKSA-N	364.475	2.037	10	10	FECE	
CC(C)C[C@]1(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CCNC1=O	865017830	BFDMRXJYZDQVOB-HRAATJIYSA-N	373.497	2.253	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)CCCCC(N)=O)cc2F)C[C@H](C)O1	779607271	PGTIZHUPOKKBPC-KBPBESRZSA-N	365.449	2.101	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2C[C@H]2C2CCOCC2)N(C)C)cc1	896263881	AWQDQQAMOJJEJS-ZCNNSNEGSA-N	374.529	2.470	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)cc2)CC1	1144774739	WHNJGTPYGAPLJB-MOPGFXCFSA-N	373.497	2.352	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)N2CC(C)(C)[C@H]3COC[C@H]32)N(C)C)cc1	1313409289	BVJMTUOYLOTSMW-GBESFXJTSA-N	374.529	2.422	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1CC(=O)NCc1ccccc1O	2124257568	UXCIIMAJXDYLRS-HUUCEWRRSA-N	364.442	2.328	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(N2CCC[C@@H]2C(=O)NCCN=[N+]=[N-])CC1	2124514840	ZMINRYDKSQYUFL-CQSZACIVSA-N	366.466	2.277	10	10	FECE	
NC(=O)[C@@H]1CC[C@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1	1525592925	BRSCMAKOJQCMDN-NEPJUHHUSA-N	362.385	2.302	10	10	FECE	
CCO[C@@H]1[C@H](C)[C@H]1C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O	1632702037	UEGIHNWHYKDNCG-UHNFBRDESA-N	355.818	2.218	10	10	FECE	
C[C@H](NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1)c1ccccc1O	1642827387	GVGSOTWQFBRGDY-JTQLQIEISA-N	355.419	2.419	10	10	FECE	
COC[C@@H](C)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1O	1730456919	XGKMAPZQGMMGNH-GOEBONIOSA-N	360.458	2.407	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCN(C(=O)C(C)C)CC2)c([N+](=O)[O-])c1	1772821498	QQCNBJQNJOHCJR-ALCCZGGFSA-N	361.398	2.086	10	10	FECE	
CC(=O)Oc1cc(C)c(OC(C)=O)c2c1C(=O)c1cccc(O)c1C2=O	207246482	SVZDDWBIAGKUKQ-UHFFFAOYSA-N	354.314	2.327	10	10	FECE	
Cc1cc(/C=C2/SC(=S)N([C@@H](C(=O)O)[C@H](C)O)C2=O)ccc1F	1858595432	BGQCMIOJYAXTMR-RQFQBXIKSA-N	355.412	2.169	10	10	FECE	
Cn1ncc(C(=O)NCCCCN=[N+]=[N-])c1CNC(=O)OC(C)(C)C	2060608080	CEEUFJQFSGRMSY-UHFFFAOYSA-N	351.411	2.265	10	10	FECE	
CN(C)c1ccc([C@H](O)[C@@]2(C(=O)O)C=CCN2C(=O)OC(C)(C)C)cc1	2228868633	OMOAVEULBSAPMX-HNAYVOBHSA-N	362.426	2.416	10	10	FECE	
Nc1cc2c(cc1N1CCC[C@@H](NC(=O)C(F)(F)F)CC1)CCC(=O)N2	2286105573	QMJPKDKAOVAMFK-LLVKDONJSA-N	370.375	2.191	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CP(C)(C)=O)C(=O)N1CC[C@@H](N=[N+]=[N-])C1	2299097996	AIZAWOPRKLLRAJ-MNOVXSKESA-N	359.367	2.414	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCCC[C@H]2CN2CCOCC2)c1O	177283500	DEEBXJUBORKQRS-KRWDZBQOSA-N	350.434	2.421	10	10	FECE	
Cn1nc(C2CC2)cc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	1344439542	WBMYCCUHCLHDNQ-UHFFFAOYSA-N	367.453	2.153	10	10	FECE	
C[C@@H](c1ccc(N2CCOCC2)cc1)n1c(=O)[nH]c2ccccc2c1=O	65278995	SYRPEBULNHFYMN-AWEZNQCLSA-N	351.406	2.136	10	10	FECE	
COc1cccc([C@@H](C)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1O	1349574517	WINNDQQYNBWQKQ-MPBGBICISA-N	369.421	2.306	10	10	FECE	
COc1ccc(N2CCCN(C(=O)c3cnn4ccc(C)nc34)CC2)cc1	68672351	MTQYHGIKOYSNMZ-UHFFFAOYSA-N	365.437	2.399	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC1CC2(C1)CC2(F)F	1261725207	SRBQCYLBJJVXDT-UHFFFAOYSA-N	365.424	2.405	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1C[C@H]2CC[C@H]1O2	191352779	TTZOATMJBPNZEW-CEXWTWQISA-N	359.470	2.014	10	10	FECE	
O=S(=O)(CCc1ccccc1)N1CCc2cc(N3CCOCC3)ccc21	41122210	RFPIQMMIXJPELY-UHFFFAOYSA-N	372.490	2.458	10	10	FECE	
NC(=O)c1ccccc1CC(=O)NCc1ccc(N2CCSCC2)cc1	192031606	QJSXROJHEFEEPI-UHFFFAOYSA-N	369.490	2.198	10	10	FECE	
COc1ccc(S(=O)(=O)Nc2ccc(O)cc2[N+](=O)[O-])cc1OC	90526976	ZTJHJHRXKDDPBO-UHFFFAOYSA-N	354.340	2.118	10	10	FECE	
CN(CC(C)(C)O)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92438064	MAZUVVYZVVETRG-UHFFFAOYSA-N	374.529	2.131	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N[C@@H]1Cc2ccccc2[C@H]1O	255069800	HLIANXLMBBLRGR-JLWLHPARSA-N	364.445	2.311	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)NCCCOC[C@@H]1CCOC1	255757266	UCRVXTCTEQJTKO-OCTSTCLRSA-N	374.481	2.096	10	10	FECE	
Cc1noc(C2(C)CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)CC2)n1	371586103	WHPHDWKYFSGAHT-UHFFFAOYSA-N	373.369	2.175	10	10	FECE	
CC(C)(C)C[C@H](O)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	291537070	USPKLJWIMZFNRC-OAHLLOKOSA-N	352.450	2.466	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)Cc1ccc(F)cc1	807096087	RRXUQTYYXDKAQW-UHFFFAOYSA-N	357.429	2.475	10	10	FECE	
CCOC(=O)[C@@H](F)C1CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1	293313471	ZKOAJFQHINYYKZ-YERXGYGTSA-N	366.345	2.118	10	10	FECE	
COc1cc(N2CCN(C(=O)N[C@H]3CC34CC4)CC2)cc(OC)c1OC	823872414	CMMNJEGHLCUPEE-INIZCTEOSA-N	361.442	2.097	10	10	FECE	
C[C@@H]1CC[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CS1(=O)=O	821999815	FRPSUDRFEQDXOB-TZMCWYRMSA-N	366.483	2.036	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCN(C(=O)C2CCCCC2)C1	588407429	FUTAIYPYZHWQGJ-DZFYGRHCSA-N	358.438	2.408	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)N1C(=O)N[C@H](c2ccn(C)n2)C1=O	842264348	IIMREKRGSTUBHP-CXAGYDPISA-N	355.442	2.019	10	10	FECE	
CCc1c(C(=O)N(C)CCN(C)c2ccc(OC)cc2)[nH]c(C)c1C(N)=O	846442321	NDZPFQZLNVENJK-UHFFFAOYSA-N	372.469	2.201	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CCCNC(=O)C(C)(C)C)C2)cc1	855233475	YVBXTFHLJFEQMU-OAHLLOKOSA-N	361.486	2.333	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@@]3(OC)CCSC3)C2)cc1	923187643	ZGKUJSBYVGRIEO-KSSFIOAISA-N	365.499	2.095	10	10	FECE	
CC[C@H]1CN(CC)CCN1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	854297897	SVBFNRFRUFSEHQ-IRXDYDNUSA-N	360.502	2.400	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Cc3cn4c(n3)CCCC4)C2)cc1	855223458	HJJXMZJVBXNUGN-OAHLLOKOSA-N	354.454	2.166	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCOC[C@@H]3CC(F)F)C2)cc1	854297613	PDQGYSXGLFBWNH-ZFWWWQNUSA-N	369.412	2.340	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cccc(C(=O)N(C)C)c3)C2)cc1	855228958	GKVWXSPIPRUJCV-QGZVFWFLSA-N	367.449	2.406	10	10	FECE	
CC1(C)C[C@@H](N)C[C@H](NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1	925775811	AMUOCEQLTCWAPA-ROUUACIJSA-N	358.530	2.384	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N(CC)[C@@H]2CCN(C)C2)cc1	850685809	GROYRICROPFXBG-LJQANCHMSA-N	374.529	2.044	10	10	FECE	
CCC(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	855233086	WOXDSKUXKICJIV-YJBOKZPZSA-N	359.470	2.181	10	10	FECE	
COC[C@@]1(C(=O)OC)CCCCN1Cc1ccc(N2CCOCC2)cc1	931114172	ONYUZVSVFFUQMX-HXUWFJFHSA-N	362.470	2.067	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)NCCn2cnccc2=O)c1C	869112132	PCLYFRQDOCVCGE-UHFFFAOYSA-N	350.422	2.389	10	10	FECE	
C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1ccc3cccnc3c1O)CS2	862028635	GKHKIYWEHJSHHZ-FZKQIMNGSA-N	357.435	2.011	10	10	FECE	
COC(=O)C1CC2(C1)CN(Cc1ccc(N3CCCC3)cc1)C[C@@H]2C(=O)O	1119545366	NSTGOLXBHWICGO-NCYVPVAZSA-N	372.465	2.373	10	10	FECE	
O=C1CN(C(=O)/C=C/c2cnccn2)c2ccc(Br)cc2N1	761797018	RFUFHPUYWQNDDY-DUXPYHPUSA-N	359.183	2.238	10	10	FECE	
O=C(CCN1CCc2ccccc2C1)OCC(=O)c1ccc(O)c(O)c1	786815077	QEITWBUKPAQOCZ-UHFFFAOYSA-N	355.390	2.272	10	10	FECE	
Cc1ccc(O)c(CN2CC(n3cc(CNC(=O)OC(C)(C)C)nn3)C2)c1	895704906	RPJZDNLWHOIOPP-UHFFFAOYSA-N	373.457	2.374	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1nc(C(F)(F)F)cs1	792966771	QDZOSDAWUIUWCS-UHFFFAOYSA-N	359.329	2.465	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)NN3C(=O)[C@@H](C)N(C)C3=O)c2C)cc1	1148180326	PJNCWJJRNDRLOW-CYBMUJFWSA-N	370.409	2.030	10	10	FECE	
COc1ccccc1-c1nn(C)cc1C(=O)NCc1cc(O)ccc1O	1303226126	XMASMJHAVMBSEW-UHFFFAOYSA-N	353.378	2.437	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@]2(F)CCC[C@]2(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1	2115652198	FKECCAAPRHMCEO-YTFOQLDISA-N	368.449	2.381	10	10	FECE	
COc1ccc(C)cc1N1C[C@@H](C(=O)NCc2c(O)cccc2O)CC1=O	1178905710	REJWIBBGPMIZKE-ZDUSSCGKSA-N	370.405	2.084	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C[C@@H]2OCC[C@@H]21	2124503010	GFUNHQIYNZQKEU-RFGFWPKPSA-N	365.434	2.455	10	10	FECE	
CN1CCN(c2ccc(CN3CC[C@H](C(F)(F)F)[C@H](N)C3)cc2F)CC1	1334054071	DJVNATHMWPXVNI-GOEBONIOSA-N	374.426	2.289	10	10	FECE	
COc1cc(C)cc(CNCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1O	1353583095	BUQLTGARJSSKHB-HXUWFJFHSA-N	369.421	2.054	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C12CCC(OC)(CC1)CC2=O	1352191165	YEKJDLCPPNPHFN-UHFFFAOYSA-N	352.427	2.413	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)Nc2cccnc2N2CCOCC2)cc1	1464471479	MKLKYFWGUVRUQM-UHFFFAOYSA-N	354.370	2.333	10	10	FECE	
Cc1c(C(=O)NCCc2ccc(O)c(O)c2)c2ccccc2n(C)c1=O	1465981942	ULCICNBWWFUESA-UHFFFAOYSA-N	352.390	2.231	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCCOc1cccc(C(F)(F)F)n1	1610944199	HQEIBLFKWKHOOK-UHFFFAOYSA-N	356.300	2.249	10	10	FECE	
CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1	1628826604	MWRWIZNPOPCCKS-ZDUSSCGKSA-N	350.415	2.108	10	10	FECE	
COc1cc(OC)nc(C(=O)NCc2cc(Cl)cc(Cl)c2O)n1	1637133243	AUQHXMCBTPBQRC-UHFFFAOYSA-N	358.181	2.436	10	10	FECE	
CNC(=O)CC1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CC1	1772835361	AHCPQYJTENNONV-XQRVVYSFSA-N	361.398	2.134	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H](CN=[N+]=[N-])C1)[C@H](O)C(C)(C)C	1878002800	XRZYLZMXDGWQOU-AGIUHOORSA-N	369.466	2.446	10	10	FECE	
CN(C)c1ccc([C@H](CN)N2C[C@@H]3C(NC(=O)OC(C)(C)C)[C@H]3C2)cc1	1882174508	KJTLMYIYPIJTSP-ULQDDVLXSA-N	360.502	2.207	10	10	FECE	
CCN1CCc2cc([C@@H](N)[C@@]3(O)CN(C(=O)OC(C)(C)C)[C@H]3C)ccc21	1887683344	IHXVGQPVDBCMIS-WSXQUGQNSA-N	361.486	2.439	10	10	FECE	
N[C@@H]1C(=O)Nc2cc(N3CCS[C@H]4CC[C@@H]43)c(Br)cc21	2152204690	CZZSGFWEKSEYFP-DRZSPHRISA-N	354.273	2.485	10	10	FECE	
C[C@@H](N[C@H]1COCCN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1O	2034722623	ISNLAVZTWSTCPG-CHWSQXEVSA-N	352.431	2.384	10	10	FECE	
CO[C@H]1C[C@@H](C(=O)NCc2ccccc2O)N(C(=O)OC(C)(C)C)C1	794447206	UDEVZSAQCJEDMY-KBPBESRZSA-N	350.415	2.033	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CCn4ncnc4C3)ccc(N)c2C1	2170408715	PRFBSEJUTKKUBX-UHFFFAOYSA-N	370.457	2.174	10	10	FECE	
CN1C(=O)[C@@H](N)c2ccc(N3CC[C@H](N(C)Cc4ccccc4)C3)cc21	2095870001	JNVUUPQAKCQAPG-PXNSSMCTSA-N	350.466	2.374	10	10	FECE	
CCN1CCc2cc([C@H](N)CN3CC(NC(=O)OC(C)(C)C)C3)ccc21	2112998923	QAPSNRVXDXVQDS-QGZVFWFLSA-N	360.502	2.278	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1[C@@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)C2	2263372506	DESMHCPJKGADKZ-YTFOTSKYSA-N	350.459	2.430	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc(O)c2O)C(F)(F)C1	2264446939	JFSLXFYPFSDFAJ-GFCCVEGCSA-N	372.368	2.472	10	10	FECE	
CN1CCCc2cc([C@H](N)[C@@](O)(CF)CNC(=O)OC(C)(C)C)ccc21	2265067352	YFRCKEOAWSDPBZ-QFBILLFUSA-N	367.465	2.294	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NC(=O)Nc3ccc(N)cc3)CO[C@H]1C2	2266550026	HTTJUNBVYCNWES-GLJUWKHASA-N	362.430	2.215	10	10	FECE	
CC(=O)Nc1cccc(NC=C2C(=O)NC(=O)N(c3ccccc3)C2=O)c1	2297511322	BGRGXMDDZWJWSG-UHFFFAOYSA-N	364.361	2.224	10	10	FECE	
C[C@H](O)[C@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S	2323827320	TUBVRSSLFPCFRC-UPONEAKYSA-N	373.839	2.081	10	10	FECE	
O=C(O)[C@H](CO)N1C(=O)C(=Cc2cccc3ccccc23)SC1=S	2323832042	CSPBQXXXINBVQG-ZDUSSCGKSA-N	359.428	2.487	10	10	FECE	
COC(=O)Cc1nc2c(O)cccn2c1/N=N\c1ccc(C(N)=O)cc1	103996966	BVBYHSSVELNHCX-MRCUWXFGSA-N	353.338	2.270	10	10	FECE	
Cn1cc(Br)c(C[S@](=O)CCOc2ccc(N)cc2)n1	2366964432	WXCUDQSIOUUFBP-HXUWFJFHSA-N	358.261	2.093	10	10	FECE	
CCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(N3CCCCC3)cc1)n2C	195512288	QUPUTTRTUIBDEN-UHFFFAOYSA-N	353.426	2.101	10	10	FECE	
CCOC(=O)N1CCC(NC(=S)N(C(C)=O)c2ccc(N)cc2)CC1	244218252	VYHJPASRWWQGHY-UHFFFAOYSA-N	364.471	2.117	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)OC[C@@H]1CC(=O)N(C2CC2)C1	255297678	WURIIRZCGMAJLH-MGEKVANASA-N	370.449	2.091	10	10	FECE	
CCn1c(O)nnc1CNCc1cc(Cl)cc(Br)c1O	2379633818	IWAQHCWDMRSNRQ-UHFFFAOYSA-N	361.627	2.415	10	10	FECE	
CCn1ccnc1CNC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	298538491	VZKGDNTXTLLFQJ-UHFFFAOYSA-N	361.421	2.083	10	10	FECE	
CC(=O)C1(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CC1	815911658	IXCMMRGMTYQCAO-UHFFFAOYSA-N	355.482	2.204	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)/C=C\[C@H]3CCCO3)CC2)cc1	819032313	AXYAOWRJUZICJW-GDCKJWNLSA-N	373.497	2.059	10	10	FECE	
CO[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC[C@H]1C	823538222	UTYLAUHKUCMORK-DNVCBOLYSA-N	361.486	2.214	10	10	FECE	
CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCCCSc1nccs1	829528640	UXTGMMUJMHZBPN-HWWQOWPSSA-N	355.529	2.274	10	10	FECE	
CN(C)c1ccc(/C=C/CN[C@H](C(=O)O)[C@H](O)Cc2ccccc2)cc1	904048274	MCWBHBMPTBSJDG-XXGTVTCJSA-N	354.450	2.412	10	10	FECE	
C[C@H](CC(=O)NCc1cccc(O)c1O)n1cc(Br)cn1	1263894827	WXHBSZGQPYLJFH-SECBINFHSA-N	354.204	2.324	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)c3ccc(Cl)nc3)C2)cc1	849416086	KJMOEUTVGKJDNX-GFCCVEGCSA-N	367.858	2.301	10	10	FECE	
COC(=O)[C@@H]1CCN(C(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)C1	858637846	DLZGGDMYPJFYRJ-QGZVFWFLSA-N	368.433	2.471	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC[C@@H]1CC(=O)N(C)C1	922912360	FZDCDZSLKQPZQZ-JKSUJKDBSA-N	360.502	2.160	10	10	FECE	
Cn1cnc(-c2ccc(NS(=O)(=O)c3cc(F)cc(F)c3O)cc2)n1	753016139	PHMZRDGRDVRQTM-UHFFFAOYSA-N	366.349	2.267	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@](CO)(OC)C2)cc1F	853705724	BLXZMNUWFBNAQD-IBGZPJMESA-N	367.465	2.355	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CCC[C@H](CCF)C3)nc12	852533007	ONDIPBZZIOYPFE-GFCCVEGCSA-N	350.394	2.183	10	10	FECE	
COC1CCN(c2ccc(CN3CC[C@@H](Cn4ccnn4)C3)cc2)CC1	852314830	VLGFCSNDPNYCCY-GOSISDBHSA-N	355.486	2.415	10	10	FECE	
Cc1cn2c(n1)C[C@H](C(=O)N[C@@H](C)c1ccc(N3CCOCC3)cc1)CC2	858786042	MJJBECGPTXGLJT-FUHWJXTLSA-N	368.481	2.468	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@@](O)(C4CC4)C3)C2)cc1	854295758	BGBNYLXSXGGKJR-UZLBHIALSA-N	359.470	2.220	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@@](O)(c4ccccc4)C3)cc2N1	858716422	NBPNQGMAIXWBJC-IBGZPJMESA-N	369.377	2.414	10	10	FECE	
COc1cnc(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c(F)c1	866460783	YIFCFMJRTJIJBC-UHFFFAOYSA-N	363.364	2.339	10	10	FECE	
CO[C@H]1C[C@@H]2CN(C(=O)c3ccc(C)c(O)c3O)Cc3cccnc3N2C1	870538618	RBCBDOFPHVYDCI-CABCVRRESA-N	369.421	2.051	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CC[C@H](CN)c3ccccc32)cc1	872153684	GPLVDMVCIVNLCN-QGZVFWFLSA-N	352.482	2.321	10	10	FECE	
C[C@@H]1C[C@@]2(CC[C@@H](CNCc3ccc(N4CCN(C)CC4)cc3)O2)CO1	886331210	CFAWNAWKKCKXGG-QMMLZNLJSA-N	359.514	2.255	10	10	FECE	
Cc1cc(CCNC(=O)N(C[C@H](C)O)[C@@H](C)CO)c(C)n1-c1ccccc1	785862187	ODDQICPAUJVZTG-IRXDYDNUSA-N	373.497	2.410	10	10	FECE	
O=C(NCc1cccc(Br)c1O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21	897920065	UGSPKONGFQYWMK-SPWWOFFBSA-N	353.216	2.130	10	10	FECE	
CCc1nc(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c(C)o1	795776570	WDQBZJILPZVKJL-UHFFFAOYSA-N	372.469	2.106	10	10	FECE	
COC(=O)[C@](C)(NC(=O)c1cc(O)cs1)c1cccc([N+](=O)[O-])c1	1302124093	CVZGEBJNVDVNPP-OAHLLOKOSA-N	350.352	2.180	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1cc(F)c(N2CCOCC2)c(F)c1	1176755748	UZCWOFPQSQQBNY-UHFFFAOYSA-N	364.348	2.143	10	10	FECE	
C[C@H](NC(=O)C(=O)NC[C@@]1(C)CC1(C)C)c1ccc(N2CCOCC2)cc1	1353742090	PLRVCXNKOPVQHM-YCRPNKLZSA-N	373.497	2.253	10	10	FECE	
Cc1cc(N2C[C@@H](C(=O)NCc3cccc(O)c3O)CC2=O)ccc1F	1350300360	PXLGZBIGELTSEH-ZDUSSCGKSA-N	358.369	2.215	10	10	FECE	
C[C@@H](CCNC(=O)Cc1ccc(O)c(O)c1)N(C)C(=O)OC(C)(C)C	1293243379	CJVFIYJMTRFZKY-LBPRGKRZSA-N	352.431	2.402	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(-n3nnnc3C)cc2F)c1	1545684354	SWOUVYIEIHGLBP-JTQLQIEISA-N	371.372	2.315	10	10	FECE	
COc1ccc(CN[C@@H](CO)CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1C	1717767322	XDCBHVNZORLZKS-QXCFHYIPSA-N	358.482	2.173	10	10	FECE	
CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)c2cccc(O)c2O)c1	1635569391	PVDFIZPPPXECDK-LLVKDONJSA-N	364.423	2.427	10	10	FECE	
Cc1ccccc1CN1CCO[C@H](CNC(=O)c2cccc(O)c2O)C1	1635938954	YHBSAOMVZHSYQE-MRXNPFEDSA-N	356.422	2.037	10	10	FECE	
Cc1ccc(O)c(CNC(=O)NCc2cc(S(C)(=O)=O)ccc2F)c1	1680498738	QJLWFKGXPXWGSX-UHFFFAOYSA-N	366.414	2.243	10	10	FECE	
CCC[C@H](CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)OC	1682640081	NQUFMONWBBQYBY-MSOLQXFVSA-N	350.507	2.470	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H](CNCc2ccc(F)c(F)c2O)C1	703308440	PATFOKQKRWQUGG-GFCCVEGCSA-N	358.385	2.396	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CCO)(NCc2ccc(F)c(F)c2O)C1	703365699	GJARLXMJJPQYOX-UHFFFAOYSA-N	358.385	2.132	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H]2C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1	2049784824	RDDYZBHPNPWRGT-QGDIXAPHSA-N	350.459	2.289	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)c2ccc(O)c(O)c2)C1	2054418384	SMPBEMXGKPFJJF-LBPRGKRZSA-N	350.415	2.475	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21	2060635828	PSHHCUOJCLXFBQ-YNEHKIRRSA-N	353.423	2.027	10	10	FECE	
C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CC(=O)N(C)c1ccc(N)cc1	2106663026	VFCFVKSKVNLAIB-BBRMVZONSA-N	362.474	2.219	10	10	FECE	
COc1ccc(N2CC[C@@H]3OCCN(C(=O)OC(C)(C)C)[C@H]3C2)c(N)c1	2106845939	JEPMRTWTRAGJJG-IRXDYDNUSA-N	363.458	2.492	10	10	FECE	
Cc1cccc(CNCCn2cnc(I)c2)c1O	2221404427	ILEHRWDQAHCUED-UHFFFAOYSA-N	357.195	2.292	10	10	FECE	
CC(C)(C)OC(=O)NCc1ncc(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])cn1	2225793540	XWLAUOKIWFAFDN-VXGBXAGGSA-N	361.406	2.463	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])C1	2225794128	CROYMELEZWAOMA-HPTBWKMGSA-N	365.434	2.218	10	10	FECE	
C[C@@](NC(=O)C(F)(F)F)(C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-])C(F)(F)F	2312333694	XYDCJMHLABKICH-QIOHGKGESA-N	361.246	2.334	10	10	FECE	
CN(Cc1ncc(I)cn1)c1ccc(CN)cc1	2328042325	HFZPAHBRCUUMMM-UHFFFAOYSA-N	354.195	2.176	10	10	FECE	
Nc1ccc(CS(=O)(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cc1	310854445	BCXYOWINMOXZRO-SFHVURJKSA-N	359.495	2.210	10	10	FECE	
COc1ccc(N2CCN(C(=O)NC3CCN(C(C)C)CC3)CC2)cc1	54104564	JCXQZQDJXBJFHH-UHFFFAOYSA-N	360.502	2.400	10	10	FECE	
CC[C@H]1CCCCN1C(=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1	244473445	ZHUWJCVUKJTGHB-INIZCTEOSA-N	359.470	2.135	10	10	FECE	
CN(C)C(=O)[C@@H]1CCCN1CCCNCc1cc(Cl)c(F)cc1O	294175146	JIGCWTAGQIZIGL-HNNXBMFYSA-N	357.857	2.217	10	10	FECE	
C[C@H](NC[C@@H](CO)c1cccnc1)c1ccc(N2CCOCC2)c(F)c1	806180064	ZISCJDLGFMTFFL-YJBOKZPZSA-N	359.445	2.484	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCO[C@@]3(CCCOC3)C2)c([N+](=O)[O-])c1	804768743	SIHDUEGRXTWJNN-SUZKBHRPSA-N	362.382	2.167	10	10	FECE	
C[C@]1(NC(=O)C(F)(F)F)CCN(CCCC(=O)Nc2ccc(N)cc2)C1	2162951311	NZEZWKOGWHVKPG-INIZCTEOSA-N	372.391	2.130	10	10	FECE	
CN[C@H](c1ccc(N(C)C)cc1)c1cn(CCNC(=O)OC(C)(C)C)nn1	2163135440	JRPJQRSQTBTTFZ-QGZVFWFLSA-N	374.489	2.178	10	10	FECE	
CO[C@H](C)[C@@H](C)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	811960335	UQCYNLCSRUDAAU-IAGOWNOFSA-N	374.529	2.441	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CC[C@H]4C[C@H]4C3)cc2)C1	817428408	KUPURWHWDHJLEL-MLHJIOFPSA-N	355.482	2.441	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3CCC34CCOCC4)C2)cc1	824685910	IZEUKWUMZVSZFD-INIZCTEOSA-N	359.470	2.486	10	10	FECE	
O=C(N[C@H]1CCn2ccnc21)N(Cc1ccccc1O)C[C@@H]1CCCO1	838635133	SEBRAEGAWVQOPQ-HOTGVXAUSA-N	356.426	2.424	10	10	FECE	
O=C(NCc1c(O)cccc1F)NC1CCN(Cc2ccccn2)CC1	914018440	KMAHSTSWEZRLGP-UHFFFAOYSA-N	358.417	2.390	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CCC[C@@]4(C3)CC4(F)F)nc12	844438957	UYBZPUMZVAIHJL-INIZCTEOSA-N	366.368	2.233	10	10	FECE	
Cc1cc(Cl)cc(CNC[C@@H](N2CCNCC2)C(F)(F)F)c1O	841070193	LWDIGLNPXCNXFV-CYBMUJFWSA-N	351.800	2.280	10	10	FECE	
Fc1cc(CN2CC[C@H](Nc3ncccn3)C2)ccc1N1CCOCC1	843416478	SRUPYJFNOSTHPW-INIZCTEOSA-N	357.433	2.139	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CCCC[C@@H]2[C@H]2C[C@H](N)CCO2)c1O	844912625	UXNPSPJDJOOHAM-IIAWOOMASA-N	365.430	2.170	10	10	FECE	
COc1ccc(N2CCN(CCCN[C@@H]3C[C@@H](N)C34CCC4)CC2)cc1	925521815	WRRRSNZUNQYQKG-WOJBJXKFSA-N	358.530	2.067	10	10	FECE	
COC(=O)c1ccnc(C(=O)NCc2ccc(N3CCSCC3)cc2)c1	841383136	YDZUQXVFUBKVMX-UHFFFAOYSA-N	371.462	2.351	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cnn4c3C[C@H](C)CC4)C2)cc1	855227163	WGROVJIHEBPQPL-CABCVRRESA-N	354.454	2.483	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCN(CC(C)C)CC3)C2)cc1	854301591	QIFAESIAXAMQMP-KRWDZBQOSA-N	360.502	2.257	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CN1CCc2ccccc2C1=O	935945552	BTOMIDZWLWHICT-UHFFFAOYSA-N	359.422	2.193	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CC3(CCOCC3)CO2)c1	869031014	BZEPSAOIGCUDRQ-ZFWWWQNUSA-N	364.442	2.347	10	10	FECE	
COc1cncc(CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1C	865424025	SICLUEIJAPBHCV-KRWDZBQOSA-N	368.481	2.390	10	10	FECE	
CN(C)C(=O)N(C)[C@H]1CCN(Cc2c(O)cccc2Br)C1	862419651	RHMGPYGNVOBGAP-NSHDSACASA-N	356.264	2.342	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC2(CN(C)C(=O)O2)C1	862018852	SMYAFUKIRNTVNL-UHFFFAOYSA-N	367.405	2.183	10	10	FECE	
COC[C@](C)(O)CCNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C	861858604	PDYUBMWBBJMRDZ-HXUWFJFHSA-N	358.438	2.424	10	10	FECE	
CSCc1noc(CCC(=O)NCc2ccc3cccnc3c2O)n1	862027131	KANNGZJRYGHCTA-UHFFFAOYSA-N	358.423	2.435	10	10	FECE	
CCN(CCOC)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	769049245	XDZWLNLCIRKDGK-UHFFFAOYSA-N	374.529	2.397	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)c3nc(O)nc(O)c3N)c2C)c1	1132043560	IALBLLPVCSBFHW-UHFFFAOYSA-N	367.409	2.116	10	10	FECE	
COc1ccc(N2CCN(CCN[C@@H]3CCCc4n[nH]cc43)CC2)cc1	796724975	AEVYQODXUALZSK-LJQANCHMSA-N	355.486	2.208	10	10	FECE	
C[C@@H](NC(=O)C(=O)Nc1cnc(CC2CC2)nc1)c1ccc(N(C)C)cc1	793032719	HTHCVKPYWNFRSP-CYBMUJFWSA-N	367.453	2.311	10	10	FECE	
CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NCc1c(O)cccc1F	1156171339	ZNOOLMJYIXIJJY-RKXVYHDYSA-N	352.431	2.405	10	10	FECE	
CN(C)c1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)cc1	2116270980	UGVNAVNGNCNFNZ-AEFFLSMTSA-N	363.502	2.460	10	10	FECE	
C[C@@H](NC(=O)C(=O)N1CC(CC(F)(F)F)C1)c1ccc(N(C)C)cc1	1323937965	MDTZEUKMGSXJMU-LLVKDONJSA-N	357.376	2.341	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)NCC2(CN=[N+]=[N-])CC2)C[C@H]2OCC[C@H]21	2124504167	WANPTGJIDHTZLT-FRRDWIJNSA-N	365.434	2.360	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2cc(O)c(O)c(O)c2)CC1	2132393322	SVYKPWRXANSIBW-GFCCVEGCSA-N	366.414	2.323	10	10	FECE	
COc1ccc(CNC(=O)c2ccncc2NC(=O)C(F)(F)F)c(O)c1	1296968798	RNFHQANUPAKREL-UHFFFAOYSA-N	369.299	2.227	10	10	FECE	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc(=O)cc[nH]1	1465951589	OIWDAZXALXCAHH-CQSZACIVSA-N	361.829	2.128	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)c2cnn(C)c2-n2cnnc2)cc1	1539308256	PWDZUYKJJRTHKD-UHFFFAOYSA-N	367.457	2.119	10	10	FECE	
COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1	1469816159	YOODNBPYUDXSET-AEFFLSMTSA-N	370.449	2.399	10	10	FECE	
COC(=O)[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1	1612221350	QJHQCFOCFOGUQV-SFHVURJKSA-N	358.350	2.162	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1C[C@H]2C[C@H]2C1	2136252947	IECPOSRGXOCPIB-MJBXVCDLSA-N	362.426	2.012	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(-c2ccc[nH]2)n1C[C@H]1COCCO1	1617940233	KXYKORVSWFETQQ-HNNXBMFYSA-N	369.425	2.031	10	10	FECE	
CC(C)c1nnc(N(C)Cc2ccccc2O)n1CC1(O)CCOCC1	1750610760	CDIMAFJPHJQRTD-UHFFFAOYSA-N	360.458	2.285	10	10	FECE	
CO[C@H]1COCC[C@H]1CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1	1682547616	FVCPGCZSJXMRSH-HKUYNNGSSA-N	361.486	2.480	10	10	FECE	
CN(C)c1ccc(CNC(=O)NCCNC(=O)OCc2ccccc2)cc1	1685728530	IFTJKBJTKFXRQN-UHFFFAOYSA-N	370.453	2.478	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)NC[C@H]2CCCCN2C)N(C)C)cc1	1685545031	AEBXTOLZLHZYQG-RTBURBONSA-N	361.534	2.139	10	10	FECE	
CNc1ncc(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)s1	153010292	ULWCXBFBASNBNN-UHFFFAOYSA-N	350.419	2.295	10	10	FECE	
C[C@@H](NC(=O)C1CC(O)(CNC(=O)OC(C)(C)C)C1)c1ccccc1O	1877567902	PTLDTZMXFBVJDC-BYKITBGFSA-N	364.442	2.235	10	10	FECE	
CN(C)c1ccc([C@H](CN)N2C[C@@H]3C[C@H](C2)N3C(=O)OC(C)(C)C)cc1	1880578925	NWVHAUZBEGPVBA-KSZLIROESA-N	360.502	2.446	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(Cc2c(O)cccc2F)C1	1964724400	MOJZSXRHJWUVGL-KRWDZBQOSA-N	354.378	2.085	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C1(NC(=O)OC(C)(C)C)CC(CO)C1	1964873184	FAKSFDZFFHRJQA-UHFFFAOYSA-N	364.442	2.016	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@@H](Cc1cncs1)NC(=O)OC(C)(C)C	2010388937	JBNXPKMTOAKCKS-LLVKDONJSA-N	354.436	2.348	10	10	FECE	
O=C(NC[C@H]1CC1(Br)Br)c1ccc(O)c(O)c1	2213085873	VBEZNMLZDITWGL-SSDOTTSWSA-N	365.021	2.334	10	10	FECE	
CC(C)(C)OC(=O)NC1[C@H]2C[C@H]1CN(CCC(=O)Nc1ccc(N)cc1)C2	2162968810	RMTSIORYGFGYFQ-KBPBESRZSA-N	374.485	2.442	10	10	FECE	
Nc1ccc(O)c(CN2C[C@@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(C(=O)C(F)(F)F)C2)c1	2162970330	XSSISSUNUVAICY-HPEDKQMDSA-N	369.387	2.206	10	10	FECE	
C[C@@H](CN(C)CCC(=O)Nc1ccc(N)cc1)NC(=O)OC(C)(C)C	2044598236	PYTHERVFFVOKNR-ZDUSSCGKSA-N	350.463	2.442	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)CCc3ccc(N)cc3)[C@H]2C1	2106227938	HIADYQJHGSCCTG-IAGOWNOFSA-N	359.470	2.431	10	10	FECE	
CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Nc1c(N)cccc1C(N)=O	2084783598	NTABTYXHYJYNFF-CHWSQXEVSA-N	366.487	2.131	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CN(c3cc4c(cc3N)OCCO4)C[C@H]2C1	2106877536	KYQQTYGIGPPKAV-STQMWFEESA-N	361.442	2.343	10	10	FECE	
CN(Cc1ccccc1)C[C@@H](O)CN1CCOc2cc(N(C)C)ccc21	119429389	IKOALTCQHYDGAF-LJQANCHMSA-N	355.482	2.444	10	10	FECE	
Cn1c(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])cnc1CNC(=O)OC(C)(C)C	2225793110	SREPMNAWEWFSAO-QWRGUYRKSA-N	363.422	2.406	10	10	FECE	
COc1ccc(N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)c(CO)c1	2227710239	CSFNHHSESGNRNR-LEWJYISDSA-N	354.450	2.277	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NCc3cccc(O)c3O)CO[C@H]1C2	2255112292	CCFDBRDGWAWLDG-IAISJRAMSA-N	350.415	2.012	10	10	FECE	
COc1ccc(OC)c(C=C2SC(=S)N(CCC(=O)O)C2=O)c1	2293034696	BSEGYGDDEWQDQV-UHFFFAOYSA-N	353.421	2.380	10	10	FECE	
CCOc1cc(C=C2SC(=S)N([C@H](C)C(=O)O)C2=O)ccc1O	2293031239	SNOSLJVEJGIIQG-MRVPVSSYSA-N	353.421	2.465	10	10	FECE	
CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NN1CCN(C)CC1	2313682197	XJGRWCRZXHRMTR-UHFFFAOYSA-N	359.449	2.354	10	10	FECE	
C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc3c(c2)OCCO3)SC1=S	2323693480	UWVVICFYEOOXRS-MRVPVSSYSA-N	351.405	2.132	10	10	FECE	
Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3c(C)n[nH]c3C)C2=O)c(C)c1	59858238	OIKWRTPNDWAUQC-JYRVWZFOSA-N	353.382	2.222	10	10	FECE	
COC(=O)NC[C@@H](c1cccnc1)N1CCN(c2ccc(OC)cc2)CC1	56896177	VRYPMGUDILFCGY-IBGZPJMESA-N	370.453	2.310	10	10	FECE	
CNC(=O)c1ccc(N2CCN(c3ccc(OC)cc3)CC2)c([N+](=O)[O-])c1	53548933	CBAPYVJXLPTSGN-UHFFFAOYSA-N	370.409	2.290	10	10	FECE	
CC[C@@H]1CN(Cc2cc(Br)ccc2O)CCN1C[C@@H](C)O	120677099	YIJXORRZPWBCGR-IUODEOHRSA-N	357.292	2.432	10	10	FECE	
Cc1ncc(CN2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)s1	181064367	OWMUVJPTWHDOTK-HWKANZROSA-N	359.451	2.220	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)Cn2c(=O)[nH]c3ccccc32)cc1	79713257	ZKJCNQGFKHYQJS-UHFFFAOYSA-N	352.438	2.492	10	10	FECE	
Cc1nn(C)c(Cl)c1S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1	47331841	NJCPKVKNFBWZRQ-UHFFFAOYSA-N	356.879	2.269	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N2CCc3c(F)cc(F)cc32)cc1	193548189	RVIZCJROTGRGST-UHFFFAOYSA-N	359.376	2.236	10	10	FECE	
COc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc(OC)c1O	96505525	LLUBTEFYIJATMP-YRNVUSSQSA-N	369.420	2.085	10	10	FECE	
Nc1ccc(N(C(=S)N2CCN(CCO)CC2)c2ccccc2)cc1	243121099	JHQBEJMXPFCMRX-UHFFFAOYSA-N	356.495	2.302	10	10	FECE	
Cc1nn(C)c(C)c1C[C@@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O	819167411	CQTWPMAKXRIGLK-GFCCVEGCSA-N	356.426	2.138	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)c1	820052170	KFZLSTYGHRAWCW-BLLLJJGKSA-N	369.421	2.349	10	10	FECE	
CC[C@@H]1C[C@H]1c1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)no1	834697354	JIKGHUBYGNGOPV-RHSMWYFYSA-N	370.453	2.483	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)COCC(=O)OC(C)(C)C	843606431	BXGKNJVLXYBEAD-OAHLLOKOSA-N	364.486	2.467	10	10	FECE	
COc1ccc(N2CCN(CCNc3cc(CO)cc(C)n3)CC2)cc1	853234617	HDGNLVZKAWJXCL-UHFFFAOYSA-N	356.470	2.125	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)c3ccnc(O)c3)C2)cc1	854093333	WZLYULJQSNFLNY-DZGCQCFKSA-N	356.426	2.435	10	10	FECE	
CN(C)[C@@H]1CCc2ccccc2N(S(=O)(=O)c2cccc3nonc23)C1	857901782	NBKVWMLTTKBVKR-CQSZACIVSA-N	372.450	2.295	10	10	FECE	
COC(=O)CCNC(=O)CCNCc1cc(-c2ccccc2)ccc1O	858292460	JBAIPTILDVXVDT-UHFFFAOYSA-N	356.422	2.218	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)NC[C@@]3(O)C[C@H]4C=C[C@H]3C4)C2)cc1	854188037	VMECJNJMVVMICH-DLRJPAPCSA-N	371.481	2.148	10	10	FECE	
C[C@H](NC(=O)NCc1ccc(CS(C)(=O)=O)cc1)c1ccccc1O	868076036	UEGCZCYXRZDYNK-ZDUSSCGKSA-N	362.451	2.497	10	10	FECE	
CC(C)C1(S(=O)(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1	867532505	YYHVBBFEICTTSS-UHFFFAOYSA-N	352.500	2.256	10	10	FECE	
COC(=O)[C@@H]1O[C@@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)C[C@H]1C	866595417	ATLYODIZDRBEJQ-FSPWUOQZSA-N	373.405	2.481	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCN(CC(F)F)C3)C2)cc1	869227905	CVWCPMVSWQAAPS-CABCVRRESA-N	367.440	2.367	10	10	FECE	
Cc1noc(C)c1CO[C@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	762470716	GYNWPUSQBZDKEP-KBXCAEBGSA-N	360.410	2.214	10	10	FECE	
CCCN(CCC)c1ccc(CN2CCNC(=O)[C@@H]2CC(=O)OC)cc1	768161148	RZQVFOYNESOMTQ-SFHVURJKSA-N	361.486	2.177	10	10	FECE	
COC(=O)N1CCC[C@H]([C@@H](C)NCc2ccc(N3CCN(C)CC3)cc2)C1	775349344	ZJEDAPWPMYVHHK-MJGOQNOKSA-N	374.529	2.395	10	10	FECE	
COCc1cc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)ncn1	772390247	SGLYIYVGEZXVDS-UHFFFAOYSA-N	371.441	2.422	10	10	FECE	
COc1cc2nc3[nH]c(N(C(C)=O)c4ccc(N)cc4)nn3c2cc1OC	82741098	XACJZMYZFNBTQU-UHFFFAOYSA-N	366.381	2.495	10	10	FECE	
C[C@H](N[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)c1cc(O)ccc1O	2121660223	BVBVEJAYOHGHIT-OFSOMGBPSA-N	364.442	2.383	10	10	FECE	
CC(C)(C)OC(=O)NCC1(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CCOCC1	2124506273	VPJJTHVQXSYANH-ZDUSSCGKSA-N	367.450	2.467	10	10	FECE	
Cn1nccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2124516931	WZTGLDNKYZUYSX-DGCLKSJQSA-N	363.422	2.145	10	10	FECE	
C[C@@H]1CC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)CN1C(=O)OC(C)(C)C	2132400318	LUSQDWICAQVSIC-ZYHUDNBSSA-N	366.414	2.321	10	10	FECE	
CN1CCCc2cc(CNC(=O)C(=O)NC[C@@H]3C(C)(C)C3(F)F)ccc21	1330413843	XKOOHKRVQWKUNZ-OAHLLOKOSA-N	365.424	2.093	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1	1628950753	KHUNPXGVOVPUIP-INIZCTEOSA-N	367.453	2.021	10	10	FECE	
COc1cc(C(=O)NCc2ccc(O)cc2O)cnc1Br	1630302270	VZEPXUHJDOIBIN-UHFFFAOYSA-N	353.172	2.194	10	10	FECE	
COC[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1O	1730456917	XGKMAPZQGMMGNH-GDBMZVCRSA-N	360.458	2.407	10	10	FECE	
COC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)/C=C/c1scnc1C	1595590038	GTOILBNRLMTBGS-AATRIKPKSA-N	357.391	2.237	10	10	FECE	
CCc1nnc(N(C)[C@@H](C)CC(N)=O)n1CCCSc1nccs1	1764698975	SESPMUPQPAWBER-NSHDSACASA-N	368.532	2.180	10	10	FECE	
CCSc1nnc(NC(=O)CCN2C(=O)[C@H](C)SC2=S)s1	11636042	VCNNLSYUOGURLY-LURJTMIESA-N	362.527	2.228	10	10	FECE	
O=C(NC1CC(NC(=O)c2ccc(O)c(O)c2)C1)OCc1ccccc1	1982319371	VTXCJCGKWPQRQY-UHFFFAOYSA-N	356.378	2.285	10	10	FECE	
CNCc1ccc(N(C)[C@H]2CS(=O)(=O)C2(C)C)cc1Br	2153858466	XJNFPXKLHRHIRH-ZDUSSCGKSA-N	361.305	2.180	10	10	FECE	
CN1CCc2cc([C@H](CN)N3CCC34CN(C(=O)OC(C)(C)C)C4)ccc21	2194982402	OEGAUKAZFPUPTG-SFHVURJKSA-N	372.513	2.374	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2060634461	ZUJVKRXSHAAFNO-WBMJQRKESA-N	353.423	2.050	10	10	FECE	
Nc1ccc(OCCC(=O)N[C@]23C[C@H]2CN(Cc2ccccc2)C3)cc1	2099676727	RWPVBVAWYJBBLQ-UWJYYQICSA-N	351.450	2.428	10	10	FECE	
CCN1CCc2cc([C@H](O)CN3CC(NC(=O)OC(C)(C)C)C3)ccc21	2112982976	FWRSNPZKJMPRCA-GOSISDBHSA-N	361.486	2.311	10	10	FECE	
CCS(=O)(=O)C[C@@H](C)N(C)c1ccc(CO)cc1Br	2114144834	HYHMCZIRISSIDY-SNVBAGLBSA-N	350.278	2.201	10	10	FECE	
CCCS(=O)(=O)C[C@H](C)NCc1cc(Br)ccc1O	2114180901	SVPHGZTWJFFWQL-JTQLQIEISA-N	350.278	2.458	10	10	FECE	
O=C(C=Cc1cncc(O)c1)NCc1ccc(N2CCC(CO)CC2)cc1	2306248015	RQOPERGESLLDOX-UHFFFAOYSA-N	367.449	2.326	10	10	FECE	
Cc1cc(C=CC(=O)NCCNC(=O)N(C)C)c(C)n1-c1ccccc1	2307410878	UTHYDVPBXIUBCG-UHFFFAOYSA-N	354.454	2.495	10	10	FECE	
Cc1ccc(CNCC(C)(C)S(C)(=O)=O)c(O)c1Br	2352693021	LMIVVWZSOQUBGA-UHFFFAOYSA-N	350.278	2.376	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C[C@@H](N)C(C)(C)O	1951991923	CXOSWYYLMJSWAT-IUODEOHRSA-N	354.447	2.022	10	10	FECE	
COCCS(=O)(=O)NC(=O)/C=C/c1cc(C)n(-c2ccccc2)c1C	111994385	ONCODEGBLWADNH-MDZDMXLPSA-N	362.451	2.200	10	10	FECE	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@@H]1NC(=O)NC1=O	294965733	NOOULEWLSMTCPZ-BBRMVZONSA-N	367.405	2.080	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)Nc3nc(C)c(C)o3)CC2)cc1	299301564	BNZXXPQONZHFGT-UHFFFAOYSA-N	373.457	2.244	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)c1cc2nn[nH]c2cc1F	804735141	MRWIBPKIBUJTCE-UHFFFAOYSA-N	365.162	2.495	10	10	FECE	
CCN(CC)c1ccc(CN[C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1F	800308910	DSOUAGPYCKRIBH-WBVHZDCISA-N	371.522	2.479	10	10	FECE	
C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c(F)ccc(O)c1O	295594943	WVJKQOIPBPZILD-ONGXEEELSA-N	354.378	2.365	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1Cc2ccccc2N(C)C1=O	820062249	ACXAXOGUDFPILD-SFHVURJKSA-N	366.465	2.482	10	10	FECE	
CN1CCC[C@](O)(CC(=O)Nc2c(-c3ccccn3)nc3ccccn23)C1	908275405	PBPKHKALDBSLDE-FQEVSTJZSA-N	365.437	2.182	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](O)C(Cl)(Cl)Cl	907275917	XRRYHTGEHAUVBO-RDDDGLTNSA-N	356.633	2.266	10	10	FECE	
CO[C@@]1(CN[C@@H](C)c2cc3c(cc2O)CCCC3)CCS(=O)(=O)C1	903365390	MUQQKWBYUSLSQJ-SCLBCKFNSA-N	353.484	2.125	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CC[C@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])c1	840378389	RTXAKDIJQYWMIP-AGLBCWCQSA-N	357.370	2.201	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)NC[C@@H](O)c3ccnn3C)cc2)CC1	917521821	ASEIPTKUYQHRFN-LJQANCHMSA-N	371.485	2.189	10	10	FECE	
COc1cc(Br)cc(CNCC(C)(C)[C@]2(O)CCOC2)c1O	842759512	XIGZQIQYBZKPEA-INIZCTEOSA-N	374.275	2.431	10	10	FECE	
C[C@@H](N[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O)c1ccc(N(C)C)cc1	851949940	KMXWVDIIEWIYGO-RHSMWYFYSA-N	361.486	2.346	10	10	FECE	
O=C(NCCO[C@H]1CC1(F)F)NCc1ccc(N2CCSCC2)cc1	851991003	BOZPKYLSTYRVGK-HNNXBMFYSA-N	371.453	2.463	10	10	FECE	
O=C(NCc1c(O)ccc2c1CCCC2)c1cn([C@H]2CCCNCC2)nn1	852884798	OOCZXONJRRVFTB-HNNXBMFYSA-N	369.469	2.107	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCC3(CCOCC3)O2)c1	927179637	ZQYQVOLLNLUTHW-DZGCQCFKSA-N	364.442	2.489	10	10	FECE	
COc1ccc(N2CC[C@H](Nc3cc(N)c([N+](=O)[O-])c(CO)c3)C2)cc1	853759382	TYBYJXCCYZHLJD-ZDUSSCGKSA-N	358.398	2.369	10	10	FECE	
CCCC(=O)NCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	751403001	AZPMONYBCSPIKP-GOSISDBHSA-N	361.486	2.177	10	10	FECE	
Cc1cc(C(=O)COC(=O)[C@@H]2COC(=O)N2)c(C)n1-c1cccc(F)c1	859907061	RSZLQHMWVUZOAE-HNNXBMFYSA-N	360.341	2.068	10	10	FECE	
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NCc1ccc2cccnc2c1O	862027396	QPXFRIIMPUWMPT-LBPRGKRZSA-N	369.343	2.260	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H](C)O[C@H]3C)cc2F)CC1	865201930	KPHJBFNZQNZJSL-YQQAZPJKSA-N	363.477	2.397	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CCOC[C@H]1C	768179449	GOBUIFHCESIJIV-RISCZKNCSA-N	355.818	2.220	10	10	FECE	
Cn1cc(/C=C\C(=O)N2C[C@H](C(C)(C)C)c3ccccc32)c(=O)n(C)c1=O	768109353	YAMJPMDCFILVLH-SNGWPZLWSA-N	367.449	2.274	10	10	FECE	
C[C@@H]1CO[C@H](C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1	889835311	CVSLLJBZXFQVOG-JXFKEZNVSA-N	357.498	2.260	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CC(F)(F)C[C@@H]1CO	780300376	HZGKGYKUMFRKCN-OAHLLOKOSA-N	371.453	2.151	10	10	FECE	
O=C(N[C@H](CCO)C1CCOCC1)c1cc2cc(O)c(O)cc2s1	897404017	OUUUFGAHJUHSRA-GFCCVEGCSA-N	351.424	2.220	10	10	FECE	
C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H](C)N1C(=O)OC(C)(C)C	1146710560	OMSHHUKLDJMBBH-STQMWFEESA-N	364.442	2.497	10	10	FECE	
Cc1nc[nH]c1CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	1150348287	OKSRZCJQOCYAKC-OAHLLOKOSA-N	362.861	2.400	10	10	FECE	
CO[C@]1(C(=O)NCc2ccccc2O)CCCN(C(=O)OC(C)(C)C)C1	2124169477	QDGIUYSOZUUYHD-LJQANCHMSA-N	364.442	2.425	10	10	FECE	
CO[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3cc(C)cc(C(C)(C)C)c3O)C[C@@H]12	1328026202	KDZMQZLVTWMDGR-UAGQMJEPSA-N	367.511	2.242	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)Cc3ccccc3)CC2)cc1	1322391042	QBOYELMNCNLHRK-UHFFFAOYSA-N	353.466	2.176	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@H]2NCc1ccc(O)c(O)c1O	1912298458	CFBQDKVJDXZTIY-AGIUHOORSA-N	350.415	2.291	10	10	FECE	
NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(O)cc3F)c2)CC1	1465302303	QBMSRCYQQHVTEP-UHFFFAOYSA-N	357.385	2.485	10	10	FECE	
COc1ccccc1N(C)C(=O)C1=C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1	2136284133	CDICSPMZPBMPHR-ZFWWWQNUSA-N	362.426	2.242	10	10	FECE	
CN1CCCc2cc(CNC(=O)[C@]3(C)Oc4ccccc4NC3=O)ccc21	1464517835	FSSMDRRLBGMZTP-NRFANRHFSA-N	365.433	2.475	10	10	FECE	
CON(C)c1nnc(-c2cnccn2)n1Cc1ccc(N(C)C)cc1C	1555763318	KILACSHARWBPBY-UHFFFAOYSA-N	353.430	2.155	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)Cc1ccc(O)c(O)c1	1645708720	IMDZLHUTMOPIHU-DGCLKSJQSA-N	350.415	2.012	10	10	FECE	
CCCNC(=O)C1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1	1655110004	ZUVVAKBWAMNAIA-UHFFFAOYSA-N	351.403	2.355	10	10	FECE	
NC(=O)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1Cl	1587440249	BCTZVMYRDRVIIV-IZPAUZPXSA-N	360.797	2.497	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N2CCOc3cc(F)c(F)cc32)c1	1586423432	CNTFXTAGWZYLRY-IHWYPQMZSA-N	359.332	2.158	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC[C@H](c3nnc(O)o3)C2)c([N+](=O)[O-])c1	1773085600	YGEUCUVULYVEQB-HWPRWLFBSA-N	374.353	2.254	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNC(=O)c3cccc(O)c3O)C[C@H]21	2140674771	IEYUWMCRXBDEOV-YRGRVCCFSA-N	362.426	2.473	10	10	FECE	
CNC(=O)CCN(C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2	388655426	OCZJOLGDROFSMX-UHFFFAOYSA-N	362.474	2.134	10	10	FECE	
C[C@@H](N)c1ccc(N2CC(C)(CS(C)(=O)=O)C2)c(Br)c1	2173201149	BUJPQUXKWKNTCS-SNVBAGLBSA-N	361.305	2.340	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)C12COC(CNC(=O)OC(C)(C)C)(C1)C2	2060641268	GJGCODMGSGYBGV-UHFFFAOYSA-N	353.423	2.219	10	10	FECE	
COC(=O)[C@H](CCNCc1ccc(F)cc1O)NC(=O)OC(C)(C)C	2084177445	SMUFZWYLLJGVQK-ZDUSSCGKSA-N	356.394	2.077	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1COCCN1CCCOc1ccc(N)cc1	2106764153	GCIDAHNCXZATQZ-INIZCTEOSA-N	365.474	2.263	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CN(c2ccc3c(c2)OCCO3)CC[C@@H]1CO	2226764505	HEHXLZLQGDRRIP-HIFRSBDPSA-N	364.442	2.170	10	10	FECE	
CC(C)(C)OC(=O)NCCc1n[nH]cc1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2227028127	YBLYLNJONJAYMQ-NSHDSACASA-N	363.422	2.249	10	10	FECE	
C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@H]1CCCN1C(=O)OC(C)(C)C	2271377461	FWPSVWPPIRVBGF-CMPLNLGQSA-N	366.414	2.321	10	10	FECE	
CCCOC(=O)CN1C(=O)C(=C2C(=O)Nc3ccccc32)SC1=S	2297465460	HVZLFFZETBENGX-UHFFFAOYSA-N	362.432	2.163	10	10	FECE	
CC(C)Oc1cccc(C=C2SC(=S)N([C@H](CO)C(=O)O)C2=O)c1	2323831620	LQGCYPAHHGLKBI-GFCCVEGCSA-N	367.448	2.121	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1[C@@H]2C[C@@H]2CN1C(=O)COc1ccc(N)cc1	2332558221	IHLNDKKVCZUSEK-WQVCFCJDSA-N	361.442	2.019	10	10	FECE	
Cc1nn(C)c(Cl)c1S(=O)(=O)NCc1ccc2c(c1)CCCN2C	58511072	ONBQGVQIQHAZQM-UHFFFAOYSA-N	368.890	2.243	10	10	FECE	
CCN(CC)c1ccc(CNS(=O)(=O)c2cccc(C(N)=O)c2)cc1	75793402	YEJPAEPLENMSDY-UHFFFAOYSA-N	361.467	2.110	10	10	FECE	
[N-]=[N+]=NCCN[C@H](C(=O)O)c1cc(Br)c2c(c1)OCCO2	90256277	HBEYVOZMDNGMPR-JTQLQIEISA-N	357.164	2.246	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)c3nn(C)cc3[N+](=O)[O-])cc2)CC1	271375738	ISTQJCALOFGPCP-UHFFFAOYSA-N	357.414	2.495	10	10	FECE	
C[C@@H](CCNC(=O)NCc1cc(Br)ccc1O)[S@](C)=O	805217944	QXQHRMSISTZFEY-LXGOIASLSA-N	363.277	2.111	10	10	FECE	
CCN(CC)c1ccc(CN[C@H]2CCC[C@H]2CNS(C)(=O)=O)cc1	800308815	AWBBYPPSGRVUTF-WMZOPIPTSA-N	353.532	2.340	10	10	FECE	
Cc1cc(N2CC[C@H](NCc3cc(Cl)c(F)cc3O)C2=O)n(C)n1	293733199	WOPIJEXPLJSOCS-ZDUSSCGKSA-N	352.797	2.122	10	10	FECE	
C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1ccn(-c2ccc(N)cc2)n1	2162522983	XEPYLBWWENTNGG-ZDUSSCGKSA-N	373.457	2.440	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)NCc3ccc(C)s3)C2)cc1	826868301	PVDRRWINLGMXEA-CQSZACIVSA-N	373.478	2.076	10	10	FECE	
CCC/C=C/[C@@H](O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	900902382	VBWMMXWKNNHMME-SHCNBLLESA-N	350.434	2.120	10	10	FECE	
CC(C)[C@H](CO)ONC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	836894976	HHYUGDNXXLYKKZ-FQEVSTJZSA-N	373.497	2.473	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@]12[C@@H]3[C@H]4C(=O)[C@H]1[C@@H]1[C@@H]4C[C@@H]3[C@@H]12	840555751	SGMGLBKRECCPMH-OTIKNFHKSA-N	364.489	2.435	10	10	FECE	
CS(=O)(=O)c1ccc(OCCN2CCCc3cc(CN)ccc32)cc1	843349793	COTQMJQBLJEHMT-UHFFFAOYSA-N	360.479	2.380	10	10	FECE	
C[C@@H](NC(=O)N1CCOC[C@H]1c1ccnn1C)c1ccc(N(C)C)cc1	845126120	WJDXLXJRITYJNQ-KDOFPFPSSA-N	357.458	2.330	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3ncnn3C(C)(C)C)C2)cc1	852310701	VLMMZNKBPGEQRD-CQSZACIVSA-N	372.473	2.120	10	10	FECE	
CO[C@](C)(C(=O)NCc1ccc2cccnc2c1O)C(=O)OC(C)(C)C	862025009	KRAVWXQIYAXMFZ-LJQANCHMSA-N	360.410	2.303	10	10	FECE	
CC(C)(C)n1cc(C(=O)C(=O)NCc2ccc3cccnc3c2O)cn1	862028723	IQQFIMKAMWHPTL-UHFFFAOYSA-N	352.394	2.391	10	10	FECE	
CC(=O)c1ccc(NC(=S)NCc2ncccc2S(C)(=O)=O)cc1	782428146	QLZCBLGMHUBWEO-UHFFFAOYSA-N	363.464	2.174	10	10	FECE	
C[C@H](c1ccccc1)[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(N)=O	1141552890	CEBSWFXHZMDZIW-IAQYHMDHSA-N	353.382	2.236	10	10	FECE	
CN(Cc1cc(Br)cc(F)c1O)C[C@@H]1CCCS1(=O)=O	715804725	IMYWUWVUBPOQDH-NSHDSACASA-N	366.252	2.303	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)c1c[nH]cc(Cl)c1=O	1323287613	ABMVHGFJFVLIQN-UHFFFAOYSA-N	357.591	2.426	10	10	FECE	
Cn1cc(C(=O)N2CCC[C@H]2CN=[N+]=[N-])c(CNC(=O)OC(C)(C)C)n1	2124538853	OEWAXVSLPQOOQN-NSHDSACASA-N	363.422	2.360	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)NC[C@H](O)CC(C)(C)C)N(C)C)cc1	1256232123	KWLADKXIGKUCQQ-MSOLQXFVSA-N	364.534	2.452	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1CC(=O)N1CCC(CN=[N+]=[N-])CC1	2131404008	KXOABQUZQRWHKX-ZIAGYGMSSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)c2cc(O)c(O)c(O)c2)CC1	2132393323	SVYKPWRXANSIBW-LBPRGKRZSA-N	366.414	2.323	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@H]2C[C@H]21	2136256117	MQKXVQONMVXBHC-MELADBBJSA-N	362.426	2.154	10	10	FECE	
O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)c1cccc(O)c1O	1290421948	QVCGHAWRIYDJNG-LBPRGKRZSA-N	356.378	2.259	10	10	FECE	
CN(CC(=O)NCc1cccs1)C(=O)c1ccc(N=NC(N)=O)cc1	1617064593	BOVDSHSSKUAVGR-UHFFFAOYSA-N	359.411	2.299	10	10	FECE	
CN[C@@H](c1ccccc1O)C1(O)CC(NC(=O)OCc2ccccc2)C1	1921915248	REEIOVDOLYQASF-VDUSKEEQSA-N	356.422	2.473	10	10	FECE	
Cc1ccc(C(=O)N[C@@H](CO)[C@H]2CCOC2)cc1-n1c(C)cc(C=O)c1C	1567035288	HYVXEUFMOJXBQO-HKUYNNGSSA-N	370.449	2.342	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)/C=C\[C@H]2COC(C)(C)O2)N(C)C)cc1	1637004738	NLMBMSXQBBOZJC-NJYOSPNCSA-N	361.486	2.179	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCO[C@@H](c3noc(C4CC4)n3)C2)cc1	1651375249	PZWYUIQSEMKFRZ-CYBMUJFWSA-N	370.369	2.323	10	10	FECE	
CN(CCCNC(=O)c1ccn(-c2ccc(N)cc2)n1)C(=O)OC(C)(C)C	2162516450	PPTAOAOOYQECPV-UHFFFAOYSA-N	373.457	2.441	10	10	FECE	
Nc1ccc(OC[C@@H](O)CN2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1	687241642	AOUSPQXJZZTIBV-HBMCJLEFSA-N	367.493	2.357	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(O)c(O)c2)[C@@H](F)C1	2054399760	VQFLEAHQIYEUCB-NWDGAFQWSA-N	354.378	2.175	10	10	FECE	
COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2060613511	RWKNFBFKXUOTMC-VXGBXAGGSA-N	357.411	2.007	10	10	FECE	
COC[C@]1(C(=O)N2CC[C@H](N=[N+]=[N-])C2)CCCN1C(=O)OC(C)(C)C	2060615015	JWGXCJPEMWAWRD-LRDDRELGSA-N	353.423	2.314	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1c1cc2c(cc1N)OCC(=O)N2	2106878545	QFZIEZXJFUWLGQ-GHMZBOCLSA-N	362.430	2.092	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1CC(=O)N1CCC(N=[N+]=[N-])CC1	2067685955	QAGFGFNVPVIXKE-DGCLKSJQSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C(=O)NCC2(CN=[N+]=[N-])CC2)C1	2073948551	BIKLHGOBLDRWNX-VXGBXAGGSA-N	353.423	2.265	10	10	FECE	
CC(C)N(CCNC(=O)OC(C)(C)C)C[C@H](O)COc1ccc(N)cc1	2106751303	RELAXWGUWVXBNP-INIZCTEOSA-N	367.490	2.244	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2C(NC(=O)OC(C)(C)C)[C@H]2C1	2107819672	FMGCLRJHZJEIKK-UGFHNGPFSA-N	360.458	2.051	10	10	FECE	
CC1=NN(c2nc3ccccc3s2)C(=O)C1=CNCCc1cnc[nH]1	2294317180	NAVHBOOZAWCLDD-UHFFFAOYSA-N	352.423	2.458	10	10	FECE	
O=C(O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(F)c(F)c2)SC1=S	2323831232	HKDPGYUQDQVIFL-VIFPVBQESA-N	373.358	2.094	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(C1)C[C@@](O)([C@H](N)c1ccccc1O)CS2	2317526666	IZQFJWQMPKLFOH-KDOFPFPSSA-N	366.483	2.250	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CC(=O)NCCc1ccc(O)c(O)c1	2335798656	IHNCAUANWSYPFH-KBPBESRZSA-N	364.442	2.307	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCc3ccn4ccnc4c3)CC2)cc1	177772915	RWIJNBLOCDDHKE-UHFFFAOYSA-N	365.437	2.375	10	10	FECE	
N=C1/C(=C\c2ccco2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12	103592824	XGVOUFTXYVFBCG-XNNMEOQWSA-N	371.422	2.301	10	10	FECE	
COc1ccc(OC)c([C@@H]2CC(=O)NC(NC(=O)c3cccs3)=N2)c1	20925212	UHCCCHBISAJDHL-LBPRGKRZSA-N	359.407	2.112	10	10	FECE	
Cc1ccc(-n2c(C)cc(C(=O)CN3C[C@@H](O)C[C@@H]3CO)c2C)cc1F	184731320	MLDARVPJPBODJE-SJORKVTESA-N	360.429	2.152	10	10	FECE	
CCOC(=O)c1ccc2c(c1)N(C(=O)/C=C/c1cnn(C)c1C)CCO2	192362998	OTRIKPXKMJQSNU-SOFGYWHQSA-N	355.394	2.344	10	10	FECE	
CCCCN(CCO)c1cc2c(cc1Br)[C@@H](NC)C(=O)N2	92775517	VTWGMWUADMUQEP-CQSZACIVSA-N	356.264	2.261	10	10	FECE	
NC(=O)c1cccc(NC(=O)/C=C\c2ccc(N3CCOCC3)cc2)c1	255004848	LWCWSMYSJUQCQN-TWGQIWQCSA-N	351.406	2.274	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)CCc3ccnn3C)cc2F)C[C@@H](C)O1	274634909	ZOGJYKMFVFHYDH-HUUCEWRRSA-N	374.460	2.422	10	10	FECE	
C[C@@H](CNC(=O)NCc1cc(Br)ccc1O)Cn1cccn1	804970380	SSSNAVIHDVFIRQ-NSHDSACASA-N	367.247	2.487	10	10	FECE	
CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NCc1ccc(N2CCCCC2)cc1	800309883	OUCFEQOWLXQDCN-HKUYNNGSSA-N	365.543	2.484	10	10	FECE	
CC[C@@H]1CCN1C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1	813563763	NEZXIIQTDRHXKZ-QGZVFWFLSA-N	360.502	2.401	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3CCC[C@@]4(CCNC4)C3)C2)cc1	818654695	CXGZDPCRUYTAEP-UTKZUKDTSA-N	372.513	2.307	10	10	FECE	
COc1ccc(N2CCCN(S(=O)(=O)[C@H]3CCO[C@H](C)C3)CC2)cc1	830124720	MOKNUBNTEHXNGU-QAPCUYQASA-N	368.499	2.105	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@](O)(CO)C3)c2C)cc1	837782925	PGBXEAXIFHPESJ-FQEVSTJZSA-N	358.438	2.062	10	10	FECE	
C[C@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccnc1	746147521	PJAHCOYBHQTTKG-YJBOKZPZSA-N	366.465	2.203	10	10	FECE	
Cc1cc(N(C)C)ccc1CN1CCCN(S(=O)(=O)C2CC2)CC1	840943195	LNKUTLYUPJIUOW-UHFFFAOYSA-N	351.516	2.061	10	10	FECE	
COC(=O)/C=C/c1ccc(N(C[C@@H]2CCC(=O)N2)C(C)C)c([N+](=O)[O-])c1	840387320	OBWPPLZIMNZBHB-KVEVGEHQSA-N	361.398	2.274	10	10	FECE	
CC[C@H](CN1CCOCC1)NC(=O)c1cc2cc(O)c(O)cc2s1	928647124	FEQUSLNGAASSSL-GFCCVEGCSA-N	350.440	2.153	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](O)CC34CCC4)C2)cc1	852449436	SQWYFJUOKUSRAY-RDJZCZTQSA-N	359.470	2.363	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCC(=O)c4cccn43)C2)cc1	855227134	WPIJPFORIQVDJW-KBXCAEBGSA-N	353.422	2.409	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@]4(CCN(C)C4)C3)C2)cc1	852449143	PZTVOBVVOKHCOW-JXFKEZNVSA-N	358.486	2.011	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCN1C(C)(C)C	850626526	YGOVKNRQQJGOJE-INIZCTEOSA-N	361.486	2.120	10	10	FECE	
COc1ccc(N2CCCN(C(=O)NCCO[C@@H]3CC3(F)F)CC2)cc1	852528865	BBOCOLRGZXQEFE-MRXNPFEDSA-N	369.412	2.341	10	10	FECE	
CC(C)(O)C[C@H](O)CN[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	872203163	BRAYSNGWGZVTLK-HIFRSBDPSA-N	358.429	2.368	10	10	FECE	
CNS(=O)(=O)c1cccc2c1CCN(Cc1cc3c(cc1O)CCC3)C2	789491948	RHILTFMLHPVDHC-UHFFFAOYSA-N	372.490	2.347	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)CC[C@@H]1CC[C@@H](C2OCCO2)O1	896401668	XOBNDMTXQRYPCJ-ROUUACIJSA-N	362.470	2.378	10	10	FECE	
COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1c(O)ccc(Cl)c1F	792172171	BYXVRRQTZCTVDX-RFHZTLPTSA-N	371.792	2.110	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCCCC(=O)N1CCc2ccccc21	1136672094	BTVRYDRWFLPPLI-UHFFFAOYSA-N	354.406	2.126	10	10	FECE	
COc1ccc(CNC(=O)c2c[nH]ccc2=NC(=O)OC(C)(C)C)c(O)c1	794373692	LKERGAWBBLOVJN-UHFFFAOYSA-N	373.409	2.495	10	10	FECE	
C[C@@H](NCc1ccc(S(C)(=O)=O)o1)c1ccc(N2CCOCC2)cc1	1168802353	ZWQMUPDDKBPKPO-CQSZACIVSA-N	364.467	2.371	10	10	FECE	
CCOC(Cn1ncc(C(=O)N[C@@H](C)c2ccccc2O)c1N)OCC	1171730205	MAPFGHDREMWICJ-LBPRGKRZSA-N	362.430	2.061	10	10	FECE	
C[C@@H](C(=O)N1CCC[C@@H]1CN=[N+]=[N-])N1CCN(C(=O)OC(C)(C)C)CC1	2124513008	OMQQDWIAUQIOCL-UONOGXRCSA-N	366.466	2.229	10	10	FECE	
CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1cc(O)c(O)c(O)c1	2132407832	RWUJUEPWFIGLEC-LBPRGKRZSA-N	366.414	2.275	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NCc1c(O)cccc1F	1352124641	JRPJBWGRCVBSEG-ZIBATOQPSA-N	350.390	2.403	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2C[C@@H](CO)[C@H](CCO)C2)c1	1351005336	KPMJMFMRSPADJB-MSOLQXFVSA-N	356.466	2.465	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)N3C[C@@H](CO)[C@@H](CCO)C3)c2C)c1	1520918111	SQCIFJKGRNMDQI-ROUUACIJSA-N	356.466	2.465	10	10	FECE	
CN1CCN(c2ccc(NC(=O)c3ccc(N=NC(N)=O)cc3)cn2)CC1	1463903583	GXOJGBCPUTXRBF-UHFFFAOYSA-N	367.413	2.248	10	10	FECE	
C[C@@H]1CC[C@H]1NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136261864	OVJRSEVEMQURQC-BNOWGMLFSA-N	364.442	2.448	10	10	FECE	
O=C(Cc1ccnc(O)c1Br)NCc1c(O)cccc1F	1558454774	MCQKDPMLNDADFU-UHFFFAOYSA-N	355.163	2.253	10	10	FECE	
NC(=O)Cn1ccc(Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)n1	1559095603	IHGQDBPZBSJKJD-UHFFFAOYSA-N	365.349	2.251	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)CN1CCC[C@H](C(=O)OCC)C1	1622319521	NULSSYBBUKYBCF-KRWDZBQOSA-N	362.470	2.406	10	10	FECE	
Cc1cc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c2nccn2c1	1625145061	FGWIZQHMVSKCPL-UHFFFAOYSA-N	363.465	2.325	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@H]2CCC(=O)N2)n1CC1(C)CC1	1729419108	MWKRAESWWFUQRA-CQSZACIVSA-N	355.442	2.371	10	10	FECE	
CCN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CCN(c2ccccc2)C1=O	1565647687	GDRKQKGULQJAIA-INIZCTEOSA-N	354.406	2.294	10	10	FECE	
COc1cc(N2CCC([C@]3(C)COC(=O)N3)CC2)c([N+](=O)[O-])cc1OC	1640418758	QGDBYWDSLSAEJV-KRWDZBQOSA-N	365.386	2.327	10	10	FECE	
CN(CCNC(=O)C[C@@H]1C[C@H]1C1CC1)C(=O)c1ccc(N=NC(N)=O)cc1	1745211068	MSDURKIRLXMPQZ-HOCLYGCPSA-N	371.441	2.473	10	10	FECE	
Cc1nc2ccccc2c(=O)n1CC(=O)NCc1cccc(Cl)c1O	1653567339	VJVSLXPQWHTDHY-UHFFFAOYSA-N	357.797	2.380	10	10	FECE	
CN(Cc1ccccc1)C(=O)NCCC(=O)NCCc1ccc(N)cc1	152531361	YIYGVUIWYBLKHI-UHFFFAOYSA-N	354.454	2.159	10	10	FECE	
CC1(C)[C@@H](CNCc2c(O)cccc2Br)CCS1(=O)=O	1966053450	QIQIUUDJWOXHTG-SNVBAGLBSA-N	362.289	2.458	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1CC(NC(=O)OCc2ccccc2)C1	1999444390	YPEYLFADUAZKFR-CQSZACIVSA-N	368.437	2.206	10	10	FECE	
Nc1cc2c(cc1N1C[C@H]3C[C@H]1CN(Cc1ccccc1)C3)NC(=O)CO2	2160686327	FGRJCNRHIVEDDJ-HOTGVXAUSA-N	364.449	2.310	10	10	FECE	
Cn1cc(Br)c(S(=O)(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)n1	2178419405	VZWGTCHPNRJFKU-MRVPVSSYSA-N	363.241	2.036	10	10	FECE	
O=C(O)[C@H]1CO[C@H](CNCc2cc(Cl)cc(Br)c2O)C1	714007780	LIYVQCSESJWOPK-SCZZXKLOSA-N	364.623	2.387	10	10	FECE	
C[C@H](NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C)c1c(O)cccc1O	394391215	HLGWCJWBMHRUCB-KBPBESRZSA-N	365.474	2.300	10	10	FECE	
C[C@@H](NCC1(CNC(=O)OC(C)(C)C)COC1)c1c(O)cccc1O	2056739060	OZIFMSJWFUPECQ-GFCCVEGCSA-N	352.431	2.290	10	10	FECE	
C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)COc1ccc(N)cc1	2106229302	ITBNNMRRYIULAA-XJKSGUPXSA-N	363.458	2.409	10	10	FECE	
CN(CC(=O)Nc1ccc(N)cc1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21	2106760138	LZISPNXENLJVRP-QLPKVWCKSA-N	360.458	2.004	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)[C@H](N2CCCc3cc(CN)ccc32)C1	2109470633	VXQISRIPYSHRML-CGTJXYLNSA-N	361.486	2.315	10	10	FECE	
CCN[C@H](Cn1cc(CNC(=O)OC(C)(C)C)nn1)c1ccccc1O	2090043309	TWPGTBAROFZIBE-OAHLLOKOSA-N	361.446	2.359	10	10	FECE	
COc1ccc(N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c(OC)c1C	2278067362	YEZJZIAKBOTAOA-UONOGXRCSA-N	366.458	2.477	10	10	FECE	
CCn1c(C(Cl)=Cc2cn(C)c(=O)n(C)c2=O)nc2cc(F)ccc21	2297444666	KHTNEWQJHPCJEF-UHFFFAOYSA-N	362.792	2.330	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)C=Cc3ccc[nH]3)cc2)CC1	2311211143	XFXRKRGIPWAJHW-UHFFFAOYSA-N	352.438	2.013	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N[C@@H](C(=O)O)c1ccccc1	2311968620	LOCXXGUEJWPMFT-HXUWFJFHSA-N	366.417	2.479	10	10	FECE	
COC(=O)CCN1C(=O)C(=C2C(=O)Nc3ccc(C)cc32)SC1=S	2314769162	OKWMBEDCMUZXMK-UHFFFAOYSA-N	362.432	2.082	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1	178835024	WYUSRYSGRSGGFX-MRXNPFEDSA-N	361.486	2.032	10	10	FECE	
COCCc1cc(NC(=O)NCCCSc2nccs2)n(C)n1	128466120	BCPJTEGDSVYSDR-UHFFFAOYSA-N	355.489	2.369	10	10	FECE	
COc1ccc(Br)c(CN2CC(F)(F)[C@@](C)(N)C2)c1O	2361906397	JSUKLMOLDNCNJV-LBPRGKRZSA-N	351.191	2.332	10	10	FECE	
C[C@@H](NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1)c1ccc(F)cc1O	185293924	OOVMPZJHVYNYIP-NSPYISDASA-N	357.385	2.437	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2ccn(C)n2)C1	521755627	VLELIERTGQWYDZ-UHFFFAOYSA-N	365.481	2.458	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnc(NC4CC4)nc3)CC2)cc1	242578642	CGWBDTWQMRLSPC-UHFFFAOYSA-N	353.426	2.022	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCc2ccnc(O)c2C1	277352533	ZSKPHFKBLLLYTL-ZZXKWVIFSA-N	365.433	2.222	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H]2CCC3(CCOCC3)[C@H]2O)c1	282990737	FNSMKFAFBXSUIB-JOQOYGCGSA-N	363.454	2.397	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)N[C@H](c1cnn(C)c1)C(F)(F)F	281037407	NPTYXPMGFXDOQG-YMTOWFKASA-N	372.347	2.365	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCOC[C@H]1CC(F)F	287343387	XUCCQKXILNUMRM-MRXNPFEDSA-N	369.412	2.089	10	10	FECE	
CS(=O)(=O)NCC1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1	289320644	FPPAMCFDLGJVSA-UHFFFAOYSA-N	367.298	2.460	10	10	FECE	
C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1cc(Br)ccc1O	805199447	SZRISMLUZWWGPX-IINYFYTJSA-N	368.275	2.437	10	10	FECE	
CCCN(CCC)c1ccc(CNCC[C@H]2CNCCS2(=O)=O)cc1	903967117	HJCKEGGHNHNVNO-IBGZPJMESA-N	367.559	2.179	10	10	FECE	
COc1ccc(N2CCCN(c3nccc4c(O)ncnc34)CC2)cc1	848652589	XXLPNLAWWHGNKY-UHFFFAOYSA-N	351.410	2.456	10	10	FECE	
CN(C)c1ccc(CN2CCN(c3nncn3C)CC2)c(C(F)(F)F)c1	848924857	DTPZDVMLSFKJIX-UHFFFAOYSA-N	368.407	2.222	10	10	FECE	
Cc1ccccc1[C@H](O)C1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1	841127834	PFSIKAHEYYXQOV-LJQANCHMSA-N	367.449	2.488	10	10	FECE	
O=C(NCc1c(O)cccc1F)C1CCN(C(=O)c2cccnc2)CC1	928712695	WIFJZTNYMUHBAA-UHFFFAOYSA-N	357.385	2.095	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CNc3ccccc3[N+](=O)[O-])C2)cc1	855229684	LGHWFZCYBHZOHY-CQSZACIVSA-N	370.409	2.410	10	10	FECE	
COC(=O)C[C@@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1	852602688	IEBROJDNIZBLAO-AWEZNQCLSA-N	351.422	2.280	10	10	FECE	
Cc1sc2ncn(CC(=O)N3Cc4cccc(O)c4C3)c(=O)c2c1C	871198781	OSJKSURCCLFUJI-UHFFFAOYSA-N	355.419	2.323	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cnn4cc(C)cnc34)C2)cc1	898580242	FHFARFUFFKUAMD-AWEZNQCLSA-N	351.410	2.055	10	10	FECE	
O=C1NCC2(CCOCC2)[C@H]1NCc1cc(-c2ccccc2)ccc1O	895772934	MISWTICPSBOYPT-IBGZPJMESA-N	352.434	2.444	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNc3cccc([C@@H](C)O)n3)cc2)CC1	893400074	BLUNNJFLCLXTEO-OAHLLOKOSA-N	354.454	2.416	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3ncccc3Cl)CC2)cc1	794253741	FBXKYOXOWYGQRW-UHFFFAOYSA-N	374.872	2.296	10	10	FECE	
CCOC(=O)C1(C(=O)NCCCSc2nccs2)CCOCC1	796413101	DAIQQGLZEGBYFO-UHFFFAOYSA-N	358.485	2.101	10	10	FECE	
NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(Br)cc(F)c1O	894537067	HETIKMXAJJKNLW-KDDOJWQBSA-N	357.223	2.380	10	10	FECE	
CCc1nc(C)ncc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	1147945153	ZSGMFIJQAYZHEV-UHFFFAOYSA-N	372.444	2.378	10	10	FECE	
CCOc1cc(C(=O)NCc2ccc(O)cc2O)c([N+](=O)[O-])cc1OC	1162278727	KUBBAMMMZADWJS-UHFFFAOYSA-N	362.338	2.343	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)N3CCSC(C)(C)C3)cc2)CC1	1254716378	LOMRRJMEYVFELR-UHFFFAOYSA-N	362.543	2.475	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)N(C)C)cc1	1289600969	XEXJNAOVJBMDRF-FUHWJXTLSA-N	374.529	2.119	10	10	FECE	
CCCN[C@H](c1ccccc1O)[C@@]1(O)COC[C@H]1NC(=O)OC(C)(C)C	1922616479	CFBXCWQSDNDTFC-GPMSIDNRSA-N	366.458	2.088	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1	1556158005	PKDMCYXYXAGIFE-OCCSQVGLSA-N	372.396	2.337	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(-c2ccc[nH]2)n1CCOCCCO	1554174450	DQBKBFWYDCSSLQ-UHFFFAOYSA-N	371.441	2.014	10	10	FECE	
CCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3ccccc3O)cc2S1(=O)=O	1557968239	VJOZTODLHVEHMN-NSHDSACASA-N	374.418	2.048	10	10	FECE	
CN(CCO)Cc1cc(NC(=O)c2cccc(O)c2O)ccc1Cl	1639295107	PUNNLZJKNNOSCX-UHFFFAOYSA-N	350.802	2.428	10	10	FECE	
CCOC(=O)Cc1cnc(N(C)C(=O)/C=C/c2ccc(O)c(O)c2)s1	1639055044	GXHXLVNCTBSPFN-FNORWQNLSA-N	362.407	2.336	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CC(F)(F)CC[C@H]3C)nc12	1560219704	RAMHPAAUYDVDEJ-SNVBAGLBSA-N	354.357	2.231	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(OCC(F)(F)F)nn1	1641192158	OZPANIFKHWWKPM-GORDUTHDSA-N	369.299	2.159	10	10	FECE	
CC(C)c1cc(NC(=O)Cc2ccc(O)c(O)c2)n(-c2ncccn2)n1	1586091567	VDMBTIVPRVZAFQ-UHFFFAOYSA-N	353.382	2.378	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccn2ccnc2c1	156918464	HTEIQADLUIGLIP-UHFFFAOYSA-N	368.412	2.365	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1ccc(O)c(O)c1	2030123609	OQMJETRYVRFBCT-XJKSGUPXSA-N	352.431	2.212	10	10	FECE	
C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2060636048	STGKYSVIJSTVAZ-NEPJUHHUSA-N	353.423	2.218	10	10	FECE	
CO[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(C)c1O	2084068621	QOLWLGARWVKFQG-TZMCWYRMSA-N	352.431	2.245	10	10	FECE	
Cc1cccc(CNC(=O)c2cnn(C)c2CNC(=O)OC(C)(C)C)c1O	2204607558	ATDNLXULRJJVTJ-UHFFFAOYSA-N	374.441	2.389	10	10	FECE	
Cc1ccc(O)c(CNCCn2cnc(I)c2)c1	2221405281	JZMCTPOAXCUDIB-UHFFFAOYSA-N	357.195	2.292	10	10	FECE	
COc1ccc(Br)c(CN2CCSC[C@@H]2C(=O)O)c1O	2236036391	DRQPKEQQMHBQJC-SNVBAGLBSA-N	362.245	2.165	10	10	FECE	
CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NN1CCOCC1	2297471324	YDDTVWVMKYJYNP-UHFFFAOYSA-N	358.442	2.309	10	10	FECE	
COc1cc(C=C2C(=O)NN(c3ccc(C)cc3)C2=O)cc(OC)c1OC	2297578325	RPGCSXVBIKBGDR-UHFFFAOYSA-N	368.389	2.482	10	10	FECE	
COCCc1cc(NC(=O)C=Cc2ccc(N3CCOCC3)cc2)n(C)n1	2301498458	JYKZPQFDLXTDRC-UHFFFAOYSA-N	370.453	2.098	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N1CCN(C(=O)c2cccs2)CC1	2307987545	RCZYHIVKZYSACM-UHFFFAOYSA-N	358.419	2.157	10	10	FECE	
COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)C(C)=O)cc1OC	1951485389	CSIIAUVUTGUGCZ-ZDUSSCGKSA-N	351.399	2.298	10	10	FECE	
COc1ccc(O)c([C@H](C)NCC(=O)NCc2ccccc2[N+](=O)[O-])c1	182467511	HCQDNURGVPPVPL-LBPRGKRZSA-N	359.382	2.276	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC(c2ccnn2C)CC1	195502759	QUUYUTIREFEKQD-UHFFFAOYSA-N	369.513	2.324	10	10	FECE	
CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)NCc2cccc(OC)c2O)C1	247326917	YFGKZKFRWAPYJB-CDEUHXGRSA-N	354.472	2.280	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N2CCCN(C)c3ccccc32)c1	255716480	LPRVQOTUIGRCJN-HJWRWDBZSA-N	350.422	2.328	10	10	FECE	
C[C@H]1CC[C@@]2(CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C2)C1	376873065	XEZJNYKTUMIFRU-YVEFUNNKSA-N	352.456	2.416	10	10	FECE	
CC(C)(C)OC(=O)N[C@]12CC[C@H]1CN(c1cc3c(cc1N)OCC(=O)N3)C2	2163088289	XCOBSYIPOQIBSU-WLRWDXFRSA-N	374.441	2.093	10	10	FECE	
CCOCc1cc(CN[C@@H]2CCC[C@H]2CNS(C)(=O)=O)ccc1OC	800310191	YAKWTDWCXJKKLU-DOTOQJQBSA-N	370.515	2.039	10	10	FECE	
C/C=C/[C@H](O)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	900250255	WEJNLTHZYCMNFW-FAAWYNLUSA-N	358.360	2.095	10	10	FECE	
CCc1ccc(NC(=O)C(=O)NCc2cc(OC)ccc2O)cc1OC	835133164	KMZFQADVGUDSSH-UHFFFAOYSA-N	358.394	2.227	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3CC[C@](O)(C(F)F)C3)CC2)cc1	838191428	VIIJBCLYJGSHDX-GOSISDBHSA-N	369.412	2.076	10	10	FECE	
C[C@@H](CNC(=O)C(=O)NCCc1ccc(N)cc1)c1ccc(F)cc1F	842017244	KQZGFPZSBQILBI-LBPRGKRZSA-N	361.392	2.126	10	10	FECE	
C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)NCc1cc(Cl)ccc1O	846120592	AZWRQHMGNOPZFB-JTQLQIEISA-N	362.817	2.468	10	10	FECE	
CC[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1CCCCO1	848934222	KOCDIPXKDLTLAH-OALUTQOASA-N	371.481	2.143	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H](C)c1ccc(I)cc1	910134616	JVHJQDAJGISDBK-QMMMGPOBSA-N	360.147	2.096	10	10	FECE	
CN(C)c1ccc(/C=C\CNCCS(=O)(=O)CC(F)(F)F)cc1	850365524	JPCMTMHVDGGKOA-ARJAWSKDSA-N	350.406	2.333	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)c3ccccc3)C2)cc1	852454979	RPWBVIHCNHFSLB-LPHOPBHVSA-N	355.438	2.307	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cnn(CC(F)(F)F)c3)C2)cc1	855226603	QXYBTRYMRWMMFX-ZDUSSCGKSA-N	368.359	2.463	10	10	FECE	
CCOC(CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)OCC	852271752	GSGCJBFLEKKWDX-OAHLLOKOSA-N	365.474	2.362	10	10	FECE	
COC(=O)/C=C/c1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)o1	854198704	PQMZMJNPEJYWCB-CSKARUKUSA-N	370.405	2.437	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CN[C@@H]3CCCc4c[nH]nc43)cc2)C1	857848909	PIWGPFHAGOULFV-FUHWJXTLSA-N	353.470	2.279	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3sc(C)nc3C)C2)cc1	850536669	IVFTUJVCQJLXJC-ZDUSSCGKSA-N	374.466	2.102	10	10	FECE	
COC(=O)c1oc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1C	862159928	YUMFPPAANPRGDL-ZDUSSCGKSA-N	358.394	2.392	10	10	FECE	
O=C(NCc1cccc(Br)c1O)N[C@@H]1[C@@H]2C[C@H]3[C@H](CO[C@H]31)C2	868908184	UNWJXTHXFYWGSF-AQUXLQGKSA-N	367.243	2.377	10	10	FECE	
CN(Cc1cc2c(cc1O)OC[C@H]2O)[C@H]1CCN(c2ccccc2F)C1=O	768446574	LERWKSQZCAWPLE-FUHWJXTLSA-N	372.396	2.194	10	10	FECE	
Cn1cc(/C=C\C(=O)N2C[C@@H](C(C)(C)C)c3ccccc32)c(=O)n(C)c1=O	768109344	YAMJPMDCFILVLH-BLIJAFNYSA-N	367.449	2.274	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2C[C@@H]2c2ccccc2)cc1	1118143635	QSAVWWKCXLPOCS-IEBWSBKVSA-N	351.450	2.289	10	10	FECE	
CN(C)C1CCN(CCNC(=O)c2cc3cc(O)c(O)cc3s2)CC1	896839662	BATDPQPKMHRTGM-UHFFFAOYSA-N	363.483	2.068	10	10	FECE	
COC(=O)/C=C\c1ccc(N2C[C@H](C)S(=O)[C@@H](C)C2)c([N+](=O)[O-])c1	790800431	ROPAZWWFRZNDNL-RAUBUVQISA-N	352.412	2.127	10	10	FECE	
C[C@H](N)c1ccc(N(C)C2CC(S(C)(=O)=O)C2)cc1Br	716099614	DDXIBWXQJYWMDM-GCVQQVDUSA-N	361.305	2.481	10	10	FECE	
Cc1nnc(N(C)CCc2cnccn2)n1Cc1ccc(N(C)C)c(F)c1	1304796941	MDQBPOBVPXTKEC-UHFFFAOYSA-N	369.448	2.309	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CNC(=O)CCOc1ccc(N)cc1	2117649371	YCKGSBUPHLZYCE-KGLIPLIRSA-N	363.458	2.315	10	10	FECE	
Cc1cc(CC(=O)N2CC(N[C@H]3CCOC3)C2)c(C)n1-c1ccccc1	1179008471	LLAYAHHXCWJSFN-SFHVURJKSA-N	353.466	2.226	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@](C)(NC(=O)OC(C)(C)C)C(C)(C)O	2124389263	UOWGHYMJVKAWCB-LJQANCHMSA-N	366.458	2.405	10	10	FECE	
CN(CCCOc1ccccc1)C(=O)C(=O)N1Cc2cccc(O)c2C1	1331949283	XEMCEANOWOUOOC-UHFFFAOYSA-N	354.406	2.162	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CCC2)n1CCOCCCO	1503487297	KLWFKHPIMJZYTG-UHFFFAOYSA-N	360.458	2.287	10	10	FECE	
Cc1ccc(C(=O)N2CCc3c(sc4ncnc(N)c34)C2)c(O)c1O	1466760825	VBQNURYXVBDZNK-UHFFFAOYSA-N	356.407	2.192	10	10	FECE	
COc1nc(C)ccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1539708032	VJTOJAAKOZXXPB-GOSISDBHSA-N	356.470	2.497	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3C[C@@H](C)O[C@@H]3C)CC2)c(OC)c1	1479112106	KCUNYDVPTAYOAM-IIAWOOMASA-N	363.458	2.101	10	10	FECE	
O=C1C[C@@]2(CCN(C(=O)Cc3ccc(O)c(O)c3)C2)Oc2ccccc21	1639028913	MHYNFWMXULRGNS-HXUWFJFHSA-N	353.374	2.277	10	10	FECE	
COc1cccc(C(=O)NCCNC(=O)c2ccc(N=NC(N)=O)cc2)c1	1631736093	VBAHKVJBCHZCMF-UHFFFAOYSA-N	369.381	2.017	10	10	FECE	
CO[C@](C)(CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1	1564823239	ZDMAGLKPSBSJEJ-AZUAARDMSA-N	362.518	2.470	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CC(F)(F)CC[C@@H]3C)nc12	1560219703	RAMHPAAUYDVDEJ-JTQLQIEISA-N	354.357	2.231	10	10	FECE	
C[C@@H](NC(=O)c1cc2c(c(S(N)(=O)=O)c1)CCC2)c1ccccc1O	1643741951	GYJISOXZQFFEIA-LLVKDONJSA-N	360.435	2.019	10	10	FECE	
Cc1ccc(C(=O)Nc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)c(O)c1O	1570811199	IDMHFOWKWKFSMR-IBGZPJMESA-N	369.377	2.055	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	1645840803	DYFLVPKDMOGENW-IAGOWNOFSA-N	368.433	2.498	10	10	FECE	
CC[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1	1585196141	WZURDZCZLBJIKY-BXUZGUMPSA-N	357.414	2.274	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N2CC(=O)NCC2(C)C)CCCC1	1585860800	UDSOWLHEXRQVPG-UHFFFAOYSA-N	369.465	2.266	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(C(C)(C)C)C3=O)CC2)cc1	1594798697	AAERSGLWTNLGLU-SFHVURJKSA-N	373.497	2.381	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)/C=C/c2ccc(S(C)(=O)=O)o2)c1	1595806383	JBSAXBBTQDPKIQ-AYLMVEPYSA-N	365.407	2.288	10	10	FECE	
COc1ccc(/C=C2/SC(=S)N(CCNC(C)=O)C2=O)cc1OC	1858587168	PBBCQFZWXWLTNX-NTEUORMPSA-N	366.464	2.041	10	10	FECE	
CN(Cc1ccccc1O)C(=O)CCOCCNC(=O)OC(C)(C)C	1963340743	AARDIVFTSRGELA-UHFFFAOYSA-N	352.431	2.282	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCc1ccc(O)c(O)c1	2030123607	OQMJETRYVRFBCT-CJNGLKHVSA-N	352.431	2.212	10	10	FECE	
O=C(c1ccc(O)c(O)c1)N1CCC[C@@H]2CC[C@@]21CNC(=O)C(F)(F)F	2174800272	NZANUSFLCGAPFP-BDJLRTHQSA-N	372.343	2.161	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@@]12CC[C@@](CNC(=O)OC(C)(C)C)(C1)OC2	2060639759	LNRRMNLGGAZYQO-HOTGVXAUSA-N	353.423	2.219	10	10	FECE	
CCN(C[C@@H](C)NC(=O)OC(C)(C)C)c1cc2c(cc1N)OCC(=O)N2	2106840347	AWYYOYUMXODVGC-LLVKDONJSA-N	364.446	2.339	10	10	FECE	
CC(C)(C)OC(=O)NCCN(CCO)c1ccc2c(c1)OC(F)(F)O2	2255086458	PVTFFKDOAHXQMM-UHFFFAOYSA-N	360.357	2.332	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C[C@H]2CC[C@H]1C2	2256568151	QLKMWHVBQHIWRS-HLLJILBFSA-N	350.459	2.336	10	10	FECE	
CC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccc(S(N)(=O)=O)cc1	2294474429	UTQRNKZIQZMZCJ-UHFFFAOYSA-N	370.434	2.443	10	10	FECE	
COCCOC[C@@H]1CCN(C(=O)C=Cc2ccc(N3CCOCC3)cc2)C1	2297704170	TZVUYSCQLJRJED-LJQANCHMSA-N	374.481	2.048	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2ccc(O)c(O)c2)C2(CC2)C1	2336347901	PYTKJKRJSISVJZ-CYBMUJFWSA-N	362.426	2.475	10	10	FECE	
COc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1OC(C)=O	6304610	GKQQPWQHHZJOIQ-UHFFFAOYSA-N	355.302	2.119	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2CN2CCOCC2)c1O	177283481	DEEBXJUBORKQRS-QGZVFWFLSA-N	350.434	2.421	10	10	FECE	
CC[C@H](C)NC(=O)CN(CC(=O)N[C@@H](C)CC)c1ccc2c(c1)CCO2	31466177	UZCVMUAATLPHOT-GJZGRUSLSA-N	361.486	2.257	10	10	FECE	
CN(C[C@@H](O)CN1CCOCC1)c1ccc(OCc2ccccc2)cc1	189645650	WRODAMQWDKPOLU-HXUWFJFHSA-N	356.466	2.395	10	10	FECE	
CSCCNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	125670313	ZNYPZHGXQTVGNG-UHFFFAOYSA-N	362.543	2.381	10	10	FECE	
COc1ccc(N2CCN(c3nncc(N4CCCCC4)n3)CC2)cc1	244058781	TXMFUAYPJYKGML-UHFFFAOYSA-N	354.458	2.197	10	10	FECE	
Nc1ccc(CC(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)cc1	262666000	JZYLRFSYUPMTRN-UHFFFAOYSA-N	366.465	2.276	10	10	FECE	
COC(=O)c1c(C)oc(C)c1S(=O)(=O)N(C)Cc1ccccc1O	290791468	QLUQSEMDJRVJEN-UHFFFAOYSA-N	353.396	2.209	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)Nc1cn(Cc2ccccc2)nn1	801733778	FVIZSLOPGJIABF-UHFFFAOYSA-N	353.382	2.102	10	10	FECE	
CC(C)OC(=O)CCNC(=O)NCc1cc(Br)ccc1O	804860845	QELVMMDVDGBUGR-UHFFFAOYSA-N	359.220	2.296	10	10	FECE	
CC(=O)N1CCN(c2ccc(CN=c3cc[nH]c4cccnc34)cc2)CC1	814880221	VYHANXOKQIXEPQ-UHFFFAOYSA-N	361.449	2.332	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)CN2CCN(C3CC3)C2=O)cc1	819974135	IMHUPXVIDIDCCE-UHFFFAOYSA-N	358.486	2.391	10	10	FECE	
O=C1Nc2ccccc2[C@H]1CCN1C(=O)CN(Cc2ccccc2O)C1=O	819165042	NQIGRZHSPAJYNU-OAHLLOKOSA-N	365.389	2.282	10	10	FECE	
COC[C@@](C)(CCO)NC(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2	651672547	DFEPRLSGIPUODY-OAQYLSRUSA-N	374.481	2.432	10	10	FECE	
CN(C)C(=O)N[C@@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1	909402818	LCENNRZQUFHMLY-LLVKDONJSA-N	363.439	2.188	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCC[C@@H](n3cc(C(=O)O)nn3)C2)cc1	901523427	FWRJGWLVDVQNBL-MAVJXHJTSA-N	355.442	2.393	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H]2C[C@H](C)OC2=O)C1	839779063	QSCFVWXYTMZBQF-YOEHRIQHSA-N	369.465	2.228	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@]12C[C@H]3C[C@@H](C(=O)N1)[C@H]2C3	844579372	BOQPVHWKUCEPFW-DSZVEKTPSA-N	355.482	2.023	10	10	FECE	
Cc1cc(N(C)C)ccc1CN[C@H]1CCCN(Cc2nccn2C)C1=O	840936130	DSLIKYIXYXGQHP-SFHVURJKSA-N	355.486	2.075	10	10	FECE	
COc1cccc([C@H](C)NC[C@H]2CS(=O)(=O)c3ccccc3O2)c1O	846171134	DGKGTOJAAJPNSJ-STQMWFEESA-N	363.435	2.286	10	10	FECE	
COCCNC1CCN(C(=O)NCCCSc2nccs2)CC1	846153607	ICIFFZMZJWXQPA-UHFFFAOYSA-N	358.533	2.035	10	10	FECE	
C[C@H](N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Cl)cc1O	858489703	JZLAXAOWCAHWMF-WCQYABFASA-N	358.833	2.413	10	10	FECE	
CC1(c2ccc(S(=O)(=O)NCc3c(O)cccc3F)cc2)OCCO1	921452440	PGESXPHXQNKIKC-UHFFFAOYSA-N	367.398	2.229	10	10	FECE	
CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)/C=C\c1ccc(O)c(O)c1	856410191	HJGCSVZMNXFCSQ-QKIRZYONSA-N	360.454	2.213	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cn(-c4ccccc4)nn3)C2)cc1	855233567	ZYIYQDDHPUAXJF-HNNXBMFYSA-N	363.421	2.285	10	10	FECE	
COc1ccc(N2CCC(NCc3nc(C4CCOCC4)n[nH]3)CC2)cc1	865686304	KNCWNGVYXZSCDL-UHFFFAOYSA-N	371.485	2.466	10	10	FECE	
CCN(CC)c1ccc(CN2CCC[C@H](CS(N)(=O)=O)C2)cc1F	769384810	PGFMCJQLUAGTRT-HNNXBMFYSA-N	357.495	2.172	10	10	FECE	
O=C(COC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)c1ccc(O)c(O)c1	783861864	NRTVPZSXSXUTOA-UONOGXRCSA-N	370.357	2.399	10	10	FECE	
Cn1cnc(/C=C\C(=O)N2CCCn3ncc(NC(=O)OC(C)(C)C)c32)c1	1133882294	XXRONGPNWNIWNB-SREVYHEPSA-N	372.429	2.414	10	10	FECE	
COc1cc(O)c(CN2CCN(c3ccncc3OC)CC2)cc1OC	793370993	SRQIRCVQIWHIRU-UHFFFAOYSA-N	359.426	2.135	10	10	FECE	
N[C@]1(c2nc(-c3ccc(O)c(O)c3)no2)CCN(Cc2ccccc2)C1	692380898	JOZRDKRBIISHFG-LJQANCHMSA-N	352.394	2.208	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)O1	2124378869	CFSISDJRPBLKJV-HOCLYGCPSA-N	364.442	2.423	10	10	FECE	
COC[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)[C@@H]1CCCOC1	1262107207	GGZFQMYYGMTMBU-IEBWSBKVSA-N	365.493	2.109	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](O)c3cnc[nH]3)ccc21	1352783309	UJYBCOHISIGZJP-SFHVURJKSA-N	356.426	2.091	10	10	FECE	
COc1cccc(CNC(=O)c2ncc(Br)cc2O)c1O	1566374775	TWVGYMLAVWNQSQ-UHFFFAOYSA-N	353.172	2.194	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	1639440924	BQIOLSGYOFEYES-UHFFFAOYSA-N	354.322	2.122	10	10	FECE	
COC(=O)c1cc(C(=O)COc2ccc(N(C)C)c(C(=O)OC)c2)c(C)[nH]1	1641368638	OYIDPKIEZNUADZ-UHFFFAOYSA-N	374.393	2.224	10	10	FECE	
O=C(c1c(F)ccc(O)c1O)N1CCN(c2cccc(F)c2F)CC1	1648752092	XYTAUYRSFQYZED-UHFFFAOYSA-N	352.312	2.478	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CCCC[C@@]34CCCOC4)nc12	1655922365	PCQKSIPAWXWLRQ-IBGZPJMESA-N	374.441	2.147	10	10	FECE	
Cc1cccc(CNC(=O)[C@H]2COC[C@H](C)N2C(=O)OC(C)(C)C)c1O	2139760144	OQDDKAIQRGWHTG-DZGCQCFKSA-N	364.442	2.341	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1)C(=O)CNCc1cc(C)ccc1O	1857868200	WRXHIAFKRGPGSU-UHFFFAOYSA-N	370.449	2.382	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)O)N(Cc2cc(Cl)cc(Br)c2O)C1	1964721761	XQQVVBGYUXAFIN-KOLCDFICSA-N	364.623	2.482	10	10	FECE	
Nc1ccc(OC[C@H](O)CN2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1	705901388	YPBRREHMKWRWFP-IRFCIJBXSA-N	367.493	2.072	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)C1	2060635049	HFJMEBNFSVMWDA-QWHCGFSZSA-N	353.423	2.171	10	10	FECE	
COC[C@@]1(C(=O)N2CC[C@H](N=[N+]=[N-])C2)CCCN1C(=O)OC(C)(C)C	2060615014	JWGXCJPEMWAWRD-BLLLJJGKSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)NCCC1CC(NC(=O)COc2ccc(N)cc2)C1	2106267126	XFAGWXHOCPGCOU-UHFFFAOYSA-N	363.458	2.457	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CN(CCOc2ccc(N)cc2)CCCO1	2106690924	QJHKIFJULDDKGJ-KRWDZBQOSA-N	365.474	2.263	10	10	FECE	
CCN[C@@H](Cn1cc(CNC(=O)OC(C)(C)C)nn1)c1ccccc1O	2090043308	TWPGTBAROFZIBE-HNNXBMFYSA-N	361.446	2.359	10	10	FECE	
O=C(O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccsc2)SC1=S	2323813486	RLCGXWHYDDRQQE-MRVPVSSYSA-N	357.434	2.267	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C[C@@H]2OCC[C@@H]21	2331230389	LLLQKKVXEMIPGU-RFGFWPKPSA-N	365.434	2.455	10	10	FECE	
COc1ccc(CN[C@@H]2CC(=O)N(CCOc3ccccc3)C2)c(O)c1	174468555	GPUNBTQTYQDZHJ-MRXNPFEDSA-N	356.422	2.170	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC[C@H](O)CN2CCc3ccccc3C2)c1	182346659	YYNRFSOYRMIIJY-QAPCUYQASA-N	356.466	2.471	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2C(=O)N1CCc2cc(O)c(O)cc2C1	2366908436	UIHWOQUGRZBIGJ-KEYYUXOJSA-N	374.437	2.238	10	10	FECE	
C[C@H]1COCCN1C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92438260	LAYYQZMMIFDNJU-KRWDZBQOSA-N	372.513	2.149	10	10	FECE	
CCO[C@@H]1CCCN(c2cc3c(cc2Br)[C@H](N)C(=O)N3)C1	92775555	ACOMELWIRGOOAF-OTYXRUKQSA-N	354.248	2.406	10	10	FECE	
CCCCN(C)c1nncc(N2CCN(c3ccc(OC)cc3)CC2)n1	244282027	WUPXXGJRMKEGMA-UHFFFAOYSA-N	356.474	2.443	10	10	FECE	
O=C1N[C@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CS1	266939350	UWAHNVALRZCADB-MFKMUULPSA-N	371.409	2.198	10	10	FECE	
C[C@H]1CN(Cc2cc(Cl)cc(Br)c2O)[C@@H](C(=O)O)CO1	2165791577	BHOTYZWJHVOYLF-WRWORJQWSA-N	364.623	2.482	10	10	FECE	
Cn1c(=O)ccc2ccc(NS(=O)(=O)c3cccc4nsnc34)cc21	582645579	VNODJSABXQRBAU-UHFFFAOYSA-N	372.431	2.344	10	10	FECE	
Cc1cc(CS(=O)(=O)NCc2ccc(N3CCSCC3)cc2)no1	735314982	ZGPGZDNWSNDMBP-UHFFFAOYSA-N	367.496	2.156	10	10	FECE	
C[C@H](C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cncnc1	837710414	PCOHUWYVWBSLAA-LBPRGKRZSA-N	362.380	2.011	10	10	FECE	
O=C(Cc1ccon1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	742245065	DRJCTASLGAFMNE-UHFFFAOYSA-N	369.343	2.389	10	10	FECE	
CN1CC[C@@H](NC(=O)C(=O)Nc2ccc(N)cc2)[C@@H]1c1ccc(Cl)cc1	841078099	GCZUGWSNCUSFSI-SJORKVTESA-N	372.856	2.422	10	10	FECE	
CCN1CCC[C@@H]1CNC(=S)N[C@@H]1CCN(c2ccc(OC)cc2)C1	849271484	LEWTWCSZWDNSPB-NVXWUHKLSA-N	362.543	2.222	10	10	FECE	
C[C@@H](NC(=O)C(=O)N[C@H](C)C(C)(C)C)c1ccc(N2CCOCC2)cc1	846727470	URTFBILRDNHFHA-HUUCEWRRSA-N	361.486	2.251	10	10	FECE	
COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(O)cccc1F	928710303	JYEACKLKOQULCC-CYBMUJFWSA-N	356.394	2.077	10	10	FECE	
C[C@@H](NC(=O)NCc1cn(C)nc1Br)c1ccccc1O	924560426	BTJFLAOIUGOYDU-SECBINFHSA-N	353.220	2.449	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)cc1	855224972	HBAXSBQIATYHAF-ZDUSSCGKSA-N	357.366	2.318	10	10	FECE	
C[C@@H]1Oc2ccc(NS(=O)(=O)c3cc(F)cc(F)c3O)cc2NC1=O	753022700	ZVFCGBMHTPYBJD-ZETCQYMHSA-N	370.333	2.191	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](C)CN3CCCC3)C2)cc1	852183287	JZVOJONYYGBMER-DLBZAZTESA-N	360.502	2.305	10	10	FECE	
CCO[C@H]1COCC[C@H]1CC(=O)N1CCN(c2ccc(OC)cc2)CC1	864471043	WCSOUGJHOATBBG-LPHOPBHVSA-N	362.470	2.176	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)[C@@H](C)O1	868896846	KBCQEUJLTTZNEC-CLCXKQKWSA-N	361.486	2.260	10	10	FECE	
Cn1cc([N+](=O)[O-])c(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)n1	765125671	ZPYATSJFDCFWQI-UHFFFAOYSA-N	363.337	2.290	10	10	FECE	
CNC(=O)c1cccc(OCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	773013354	DOVHIIORXYUEGN-CQSZACIVSA-N	355.438	2.368	10	10	FECE	
Nc1c(C(=O)OCCC2(O)CC2)ccc2c1C(=O)c1ccccc1C2=O	785651368	ZWELGGOZBDXJCD-UHFFFAOYSA-N	351.358	2.116	10	10	FECE	
COC(=O)[C@@H](C[C@@H]1CCCO1)NCc1cc(Br)ccc1O	895863104	KVRSSCQOWPSPMG-QWHCGFSZSA-N	358.232	2.355	10	10	FECE	
COCC1(C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)CN(C(=O)OC(C)(C)C)C1	2124518075	TVTMOEKDXNDEIW-ZDUSSCGKSA-N	367.450	2.419	10	10	FECE	
CO[C@]1(CNC(=O)OC(C)(C)C)C[C@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1	2124537772	BNFQBONHHBIYMQ-GDZNZVCISA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CC[C@H]1NC(=O)CCOc1ccc(N)cc1	2128653273	VMPBVYNZZXNNFF-CZUORRHYSA-N	363.458	2.457	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC(CN=[N+]=[N-])CC1)C1(O)CCC1	2131457977	QMKNAIRKPXTXJZ-ZDUSSCGKSA-N	367.450	2.344	10	10	FECE	
COc1ccccc1[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1	1348606250	IWUCIVMPPZXQEG-HNNXBMFYSA-N	366.417	2.259	10	10	FECE	
Cc1c(C(=O)NCCc2ccc(O)c(O)c2)nnn1-c1ccc(F)c(F)c1	1445935501	CGAPMPIPDJJTSW-UHFFFAOYSA-N	374.347	2.238	10	10	FECE	
Cc1ncccc1/C=C\C(=O)N(C)c1ccc(S(=O)(=O)N(C)C)cc1	1524841113	VDOYZVMMJPMDSN-GHXNOFRVSA-N	359.451	2.317	10	10	FECE	
Ic1ccc(NN=NCCN2CCOCC2)cc1	1860490925	CNIKKQNQYDPGRP-UHFFFAOYSA-N	360.199	2.403	10	10	FECE	
CN(C)c1ccc([C@H](CNc2c3c(nc4ncnn24)CCC3)N(C)C)cc1	1472897490	UNQFJBYPOIJYPS-SFHVURJKSA-N	365.485	2.394	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnoc1C(C)C	1556102218	WLNDZVAHIRPLHJ-ZDUSSCGKSA-N	362.382	2.113	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@@H]1CCCCN1C(=O)c1ccccc1	1558533253	APUZWXSJVGVJQV-INIZCTEOSA-N	354.406	2.409	10	10	FECE	
C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NCc1cc(Cl)ccc1O	1628667616	YJBSJWAOGBBMDP-JTQLQIEISA-N	372.812	2.357	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)c2cccc(Nc3nn[nH]n3)c2)c1	1566374282	BPTMMRARLVVKPY-JTQLQIEISA-N	354.370	2.149	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCCNC(=O)NC2CCCCC2)cc1	1631681377	ZPGNFKZYNNFVFN-UHFFFAOYSA-N	360.418	2.211	10	10	FECE	
COc1ccc(-n2ccc(CNC(=O)Cc3ccc(O)c(O)c3)n2)cc1	1583377706	HVLMNHNKKSNECG-UHFFFAOYSA-N	353.378	2.151	10	10	FECE	
COc1ccc(CNC(=O)/C=C/C(=O)NCc2c(O)cccc2F)cc1	1596916612	JVEKGFNOILXYLG-MDZDMXLPSA-N	358.369	2.029	10	10	FECE	
CCOCCN[C@@H]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1	1691681230	XUJCVXTUOIJHNY-XJKSGUPXSA-N	361.446	2.374	10	10	FECE	
C[C@@H](NCCN1CCN(c2ncccn2)CC1)c1ccc(N(C)C)cc1	164241633	TTWWGXOMSDBFOH-QGZVFWFLSA-N	354.502	2.015	10	10	FECE	
C[C@@H](NCC1CCN(CCO)CC1)c1ccc(N2CCOCC2)c(F)c1	151880691	FMLBHOJBYBCNKP-MRXNPFEDSA-N	365.493	2.017	10	10	FECE	
COc1ccccc1N1CCN(C(=O)[C@@H](C)Oc2ccc(N)cc2)CC1	1860081645	AXSNQRLUMBLNHV-OAHLLOKOSA-N	355.438	2.394	10	10	FECE	
CN1CCc2cc([C@H](CN)N3CC(N(C)C(=O)OC(C)(C)C)C3)ccc21	1881634856	JEUOMHBVHNSJJZ-SFHVURJKSA-N	360.502	2.230	10	10	FECE	
CC(C)(C)OC(=O)NCC1(C(=O)NCCc2ccc(O)c(O)c2)CCC1	1964863432	CXJZHEMNNJDKPB-UHFFFAOYSA-N	364.442	2.452	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](CF)(NCc2ccc(O)c(O)c2O)C1	2040512014	USLQIGPUOQFDLT-KRWDZBQOSA-N	356.394	2.242	10	10	FECE	
OCC1(NCc2ccc(Cl)c(I)c2O)CC1	309561635	JLTRIBPLMAZKJX-UHFFFAOYSA-N	353.587	2.265	10	10	FECE	
O=C(c1cccc(O)c1O)N1CC[C@](CNC(=O)C(F)(F)F)(C2CC2)C1	2174790729	FYHCPZVQRZGXQU-MRXNPFEDSA-N	372.343	2.019	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2060638096	RYNAIAFQOKFNMU-AVGNSLFASA-N	355.439	2.200	10	10	FECE	
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CN=[N+]=[N-])CC1	2060621833	RYVVRNKDVXYVDE-YPMHNXCESA-N	355.439	2.464	10	10	FECE	
COC1(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)CCN(C(=O)OC(C)(C)C)CC1	2060609988	CEGSKRGIVHWTFA-GFCCVEGCSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](NC(=O)COc2ccc(N)cc2)C(C)(C)C1	2106234987	IXISEWFTPVWOPT-OAHLLOKOSA-N	363.458	2.409	10	10	FECE	
Nc1ccc(NC(=O)N2C[C@H]3CC[C@H]2[C@H](NC(=O)C(F)(F)F)C3)cc1	2106698810	DJIKXIDXWOWGBM-BIMULSAOSA-N	356.348	2.332	10	10	FECE	
CN1CCc2cc(CN[C@H]3COCC[C@H]3NC(=O)OC(C)(C)C)ccc21	2092390149	HWXSEVYIDWWOBU-SJORKVTESA-N	361.486	2.451	10	10	FECE	
CC(C)(C)OC(=O)NCCc1n[nH]cc1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2227024381	IFAILDIPTGIYOI-LLVKDONJSA-N	363.422	2.392	10	10	FECE	
Cc1cccc(CNC(=O)c2c[nH]nc2CNC(=O)OC(C)(C)C)c1O	2227019176	UUZUBUSNFUWHFH-UHFFFAOYSA-N	360.414	2.378	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)Nc1c[nH]cc(Br)c1=O	2308005817	IQLFDOMEQPUNJO-UHFFFAOYSA-N	351.156	2.201	10	10	FECE	
CC[C@H](Oc1ccc(C=C2SC(=S)NC2=O)cc1OC)C(=O)O	2314931530	GTPZYFACWNAGDJ-VIFPVBQESA-N	353.421	2.426	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1OC	2315987218	PCNDLSRDIGSQRM-OLZOCXBDSA-N	355.439	2.417	10	10	FECE	
COc1ccc(CNC(=O)CN2CCOc3cc(N(C)C)ccc32)cc1	175029443	SCHSFLVRARXISN-UHFFFAOYSA-N	355.438	2.276	10	10	FECE	
CN(C)C(=O)C1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1	127905932	GTIOZBDOGWYWNW-UHFFFAOYSA-N	356.470	2.073	10	10	FECE	
CC(C)OC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1	122042502	JBRFWWQAYKDUEI-VQFGERMISA-N	372.465	2.479	10	10	FECE	
Cc1ccc(-n2c(C)cc(/C=C\C(=O)NCCC(=O)NC(N)=O)c2C)cc1	255718697	DXCJAIUGMJZGPX-TWGQIWQCSA-N	368.437	2.117	10	10	FECE	
C[C@@H]1COCC[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	277630753	XVFNIOIELFJEHN-CXAGYDPISA-N	365.449	2.011	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2Cc3cncn3C2)CCCC1	623255096	MMMZPOXCTQCKNI-CQSZACIVSA-N	364.449	2.466	10	10	FECE	
C[C@@H]1[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CC(=O)N1Cc1ccccc1	374061621	OESMMELHRGQOFO-QLOXRLCESA-N	366.417	2.417	10	10	FECE	
Cc1ccc(CNC(=O)C[C@H]2CSCCN2)c(O)c1Br	2381137706	PUBWTYPORGBJLU-NSHDSACASA-N	359.289	2.174	10	10	FECE	
O=C(O)c1cc(NS(=O)(=O)c2cccnc2C(F)(F)F)ccc1O	806632816	SQGOTPALVGSIDU-UHFFFAOYSA-N	362.285	2.305	10	10	FECE	
C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)CCOc1ccc(N)cc1	2162981308	QUAFNRDAAREYJT-FZMZJTMJSA-N	373.375	2.096	10	10	FECE	
CC(=O)C(=O)COC(=O)c1ccc(Cl)c(I)c1	808504148	UAKMXEHPOMGNLT-UHFFFAOYSA-N	366.538	2.260	10	10	FECE	
Cc1cc(CCNS(=O)(=O)c2cn(C)cn2)c(C)n1-c1ccccc1	727834676	RLVUPADQGMWUAV-UHFFFAOYSA-N	358.467	2.349	10	10	FECE	
Cc1cc(C(=O)CN2CCNC(=O)CC2)c(C)n1-c1ccc(Cl)cn1	827675764	YYJUDNHSRRUREM-UHFFFAOYSA-N	360.845	2.147	10	10	FECE	
C[C@@H](NC(=O)CCCCCCS(N)(=O)=O)c1ccc(N(C)C)cc1	839729734	WQBNGGUEKWHPEW-CQSZACIVSA-N	355.504	2.169	10	10	FECE	
Cc1cc(CCNC(=O)NCC[C@H]2CNC(=O)C2)c(C)n1-c1ccccc1	913956534	RUEZVGXCLHSLMU-QGZVFWFLSA-N	368.481	2.462	10	10	FECE	
C[C@@H](C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cncnc1	837710413	PCOHUWYVWBSLAA-GFCCVEGCSA-N	362.380	2.011	10	10	FECE	
C[C@H](C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccncc1	924252217	HYFRMWUOOQYGEE-HNNXBMFYSA-N	366.465	2.203	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)C[C@H](CC(C)C)OC)C2)cc1	849417637	WUBRAJDRODPHAD-YJBOKZPZSA-N	370.515	2.254	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)N3CCOC[C@H]3CC3CC3)cc2)CC1	924006935	LZSYTGPVZACEIK-HXUWFJFHSA-N	372.513	2.149	10	10	FECE	
COC(=O)[C@H](CNC(=O)NCc1cccc(OC)c1O)Cc1ccccc1	924949053	JJULICXIVGMOLA-INIZCTEOSA-N	372.421	2.232	10	10	FECE	
CC(C)(C)OC(=O)NC/C=C\CNC(=O)NCc1c(O)cccc1F	922512947	LIIAYBTZTVXXTM-PLNGDYQASA-N	353.394	2.411	10	10	FECE	
COc1ccc(N(CC(=O)O)CC(=O)N[C@H]2C[C@H](OC(C)(C)C)C2)cc1	853011277	VACXNQSWLJCUSW-SAZUREKKSA-N	364.442	2.049	10	10	FECE	
C[C@@H]1OCCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1C(F)(F)F	852750023	LNMMMWOORHEFNM-LRDDRELGSA-N	359.392	2.020	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCC4(CCOCC4)C3)C2)cc1	852455630	VGWLGGCTVRMSEZ-INIZCTEOSA-N	359.470	2.486	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3CCCc4n[nH]cc4C3)C2)cc1	852986187	BKTNBBUWDALBTD-OAHLLOKOSA-N	369.469	2.403	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCOC(C4CC4)(C4CC4)C3)cc2N1	853910735	NEFGGISGVXMRDZ-UHFFFAOYSA-N	359.382	2.321	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c1O	932024182	GIUBAKFZCDFPAH-ACJLOTCBSA-N	350.390	2.444	10	10	FECE	
C[C@@H](NS(=O)(=O)c1ccccc1N)c1ccc(N2CCOCC2)cc1	767734349	COLFJRPBWPHHSH-CQSZACIVSA-N	361.467	2.145	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)cc1	785440574	AQRBRWNINVKKCV-KRWDZBQOSA-N	371.868	2.306	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CC[S@](=O)C[C@@H]2c2cnn(C)c2)cc1	895381962	YLFPVSKTAAZOLB-AYSJZJHNSA-N	358.511	2.305	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCC(c2nnc(S)n2C2CC2)CC1	1136632916	SHQCPKONJOFCMD-UHFFFAOYSA-N	374.466	2.262	10	10	FECE	
CC(C)(C)c1cc(O)c(O)c(CN2CCC(CNS(C)(=O)=O)CC2)c1	795668565	BUKILYLUFUQNBZ-UHFFFAOYSA-N	370.515	2.157	10	10	FECE	
CC(C)[C@H](C(=O)NCc1c(O)cccc1O)N1C(=O)c2ccccc2C1=O	1304050162	JJXPNWZAMWUUJQ-QGZVFWFLSA-N	368.389	2.035	10	10	FECE	
C[C@H](NC(=O)c1cc(S(N)(=O)=O)c(Cl)o1)c1ccc(N(C)C)cc1	1154669212	ULDNVPBFTZNTIH-VIFPVBQESA-N	371.846	2.137	10	10	FECE	
c1cc(N2CCCC2)ccc1CN[C@H]1CCN(c2ccc3nncn3n2)C1	1334906646	AJHCGKWOFAOYKD-KRWDZBQOSA-N	363.469	2.093	10	10	FECE	
COc1ccc(CNC2(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)cc1C	1277118641	BOJAAYWLXIAJKF-LHHMMCJZSA-N	356.466	2.165	10	10	FECE	
CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N(C)C)cc1C	1501478707	ZOQPXBNLBNASTL-UHFFFAOYSA-N	370.501	2.279	10	10	FECE	
Cc1cccc2c1N(C(=O)C1=CC=CN3CCS(=O)(=O)N=C13)CC[C@H]2C	1523366328	GTWZBYPPPBRCQF-CYBMUJFWSA-N	371.462	2.333	10	10	FECE	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(O)c(O)c1	1465981208	DPEHOJBYVKVSOD-MRXNPFEDSA-N	372.421	2.114	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN3CC[C@H]4CC[C@@H](C4)C3)CC2)cc1	1473833177	CJJLSCUJJDXSKZ-SVFBPWRDSA-N	373.541	2.300	10	10	FECE	
CCOC(=O)c1csc(CNC(=O)c2ccc(N=NC(N)=O)cc2)n1	1615963016	LMRYERFFKNRCNT-UHFFFAOYSA-N	361.383	2.412	10	10	FECE	
COc1ccc(CNC(=O)CCNC(=O)c2cc3ccccc3[nH]2)c(O)c1	1633926425	DJSQZPOEOCCEMW-UHFFFAOYSA-N	367.405	2.318	10	10	FECE	
CN(C)[S@@](C)(=O)=NC(=O)c1ccc(NC(=O)c2cc(O)cs2)cc1	1634089980	GDWWPNTYPFBNCH-DEOSSOPVSA-N	367.452	2.421	10	10	FECE	
C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)s1)c1ccccc1O	1648890107	ZWGBKJSJUCXAFB-SECBINFHSA-N	374.871	2.263	10	10	FECE	
COc1ccc(N2CCN(C(=O)NC[C@H]3CCCCN3C)CC2)cc1F	1687776358	HXDZJVUIHMZOHZ-MRXNPFEDSA-N	364.465	2.150	10	10	FECE	
CCN1CCc2cc([C@H](N)[C@@]3(O)CN(C(=O)OC(C)(C)C)[C@@H]3C)ccc21	1887683339	IHXVGQPVDBCMIS-ASUYLVSUSA-N	361.486	2.439	10	10	FECE	
CC1(CNCc2c(O)cccc2Br)CCS(=O)(=O)CC1	1966062537	RZYKKLLQZLNIGX-UHFFFAOYSA-N	362.289	2.459	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](NCc3ccc(O)c(O)c3O)[C@@H]21	2033595134	DTONFXZVNBQJNZ-MRVWCRGKSA-N	350.415	2.291	10	10	FECE	
CC1(C)C[C@@H](S(C)(=O)=O)CN1c1ccc(CO)c(Br)c1	2179920730	UDUCSPNICLVJMZ-GFCCVEGCSA-N	362.289	2.343	10	10	FECE	
CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NC(=O)Cc2ccc(N)cc2)C1	2044642353	STQLWBFVDDDTPD-VWLOTQADSA-N	367.471	2.055	10	10	FECE	
CN(c1ccc(N)cc1)S(=O)(=O)c1ccc(Br)cc1N	2191763044	CKYQDLNALBUXQI-UHFFFAOYSA-N	356.245	2.439	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@H](F)CN1C(=O)c1ccc(O)c(O)c1	2054411526	ZQSVHTHHWROUSR-NWDGAFQWSA-N	354.378	2.175	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NCC2(CN=[N+]=[N-])CC2)O1	2060633670	QDZIDSOHMRSTGV-VXGBXAGGSA-N	353.423	2.265	10	10	FECE	
C[C@@H]1CN(C(=O)CCOc2ccc(N)cc2)C[C@@H]1NC(=O)OC(C)(C)C	2106772679	HMRDHLXLIBHUQJ-CJNGLKHVSA-N	363.458	2.409	10	10	FECE	
O=C1C(=CN2CCOCC2)SC(=S)N1c1cccc([N+](=O)[O-])c1	2313609439	ICTFKOPBRQCUJA-UHFFFAOYSA-N	351.409	2.133	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC[C@@H](CCC(N)=O)C2)c([N+](=O)[O-])c1	170710169	ICXMDVQEMLHPBZ-MRZGDXHCSA-N	361.398	2.263	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCC(C(=O)C(F)(F)F)CC3)cc2N1	302371850	GSNFSAIMGDBCAV-UHFFFAOYSA-N	373.287	2.274	10	10	FECE	
COc1ccc(N2CCN(S(=O)(=O)c3cc(C)oc3C)CC2)cc1	183040768	BKDXCOGLSRVNLA-UHFFFAOYSA-N	350.440	2.416	10	10	FECE	
CCCN(CCO)c1cc2c(cc1Br)[C@@H](NCC)C(=O)N2	92775432	FFHKIEKKRUHYGE-CQSZACIVSA-N	356.264	2.261	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3Cc4cncn4C3)ccc21	623268787	WEBAXBCQGKQSDH-MRXNPFEDSA-N	352.438	2.456	10	10	FECE	
Cn1nccc1[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1	370537343	DFZLGITXSIFIQC-LLVKDONJSA-N	357.370	2.043	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)N3CCC(C)CC3)cc2)CC1	282456270	HPDYFVDABFXJQT-UHFFFAOYSA-N	358.486	2.297	10	10	FECE	
CN=c1[nH]c(C(=O)NCc2ccc(C)c(Br)c2O)cs1	2380736321	AZTFCNUNLJUVBS-UHFFFAOYSA-N	356.245	2.313	10	10	FECE	
CN(CCC(=O)Nc1ccc(N)cc1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12	2163022205	WPQOTTJAYGLULR-HZPDHXFCSA-N	374.485	2.395	10	10	FECE	
O=C(COC(F)F)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	802981418	RWGIWVOXFAFFHJ-UHFFFAOYSA-N	353.413	2.074	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(C[C@@H](NCc3ccc4c(c3)CCO4)CO2)C1	827064916	HBQQJQULZDQBBT-MRXNPFEDSA-N	360.454	2.490	10	10	FECE	
O=[N+]([O-])c1cc(Cl)cc(CN[C@H]2CNCC3(CCOCC3)C2)c1O	903975258	ZYVABHDSBUPXOT-CYBMUJFWSA-N	355.822	2.202	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1	835054146	NRKZFOATXVEOJH-MTGFJVSHSA-N	363.527	2.266	10	10	FECE	
CN(C)c1ccc(/C=C\CNC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cc1	835044764	OYMLCTHYVZTDSL-CKBPIOJVSA-N	351.516	2.073	10	10	FECE	
CN(C)c1ccc([C@H](N)CNC(=O)c2cnc(-c3cnn(C)c3)s2)cc1	832271954	AJXWJQDOPDQXBJ-OAHLLOKOSA-N	370.482	2.039	10	10	FECE	
Cc1ccc(O)c(CNC(=O)[C@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)c1	912999963	AUUVLQRQDFRYQO-CZUORRHYSA-N	366.458	2.181	10	10	FECE	
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(N(C)C)cc1	845910102	BNMZTUPKQTXUHO-LLVKDONJSA-N	350.400	2.095	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cn1ccc(C(F)F)n1	858201139	HLTCRESNGPPFBK-UHFFFAOYSA-N	364.396	2.316	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2	926620064	YKMVUCQZNNXDCU-NSHGMRRFSA-N	371.481	2.256	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N[C@H](C)c3nccn3C)C2)cc1	852388070	WYXMJOLFKAYLQC-CABCVRRESA-N	357.458	2.315	10	10	FECE	
C[C@H](NCC[C@@H]1CNCCS1(=O)=O)c1ccc(N2CCCCC2)cc1	925797251	MURRHPAETAPDJY-QFBILLFUSA-N	365.543	2.104	10	10	FECE	
CN(C)CCC[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CCO1	853776252	NYHYVMHMMJHZGT-HXUWFJFHSA-N	372.513	2.315	10	10	FECE	
O=C1[C@@H]2[C@@H]3CCC[C@H]3CN2C(=O)N1Cc1ccc(N2CCC(O)CC2)cc1	853090116	YGORTXYIYUIWDI-IPELMVKDSA-N	369.465	2.210	10	10	FECE	
CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)/C=C\c1ccc(O)c(O)c1	856410189	HJGCSVZMNXFCSQ-IOBAAEILSA-N	360.454	2.213	10	10	FECE	
COc1ccc(N2CCN(c3nccc(-c4ccnn4C)n3)CC2)cc1F	865601214	LJENHEJDJBEVDX-UHFFFAOYSA-N	368.416	2.351	10	10	FECE	
CC[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N=NC(N)=O)cc1	937496266	ALTJHINUWPTNBV-IPOQPSJVSA-N	369.425	2.320	10	10	FECE	
CCOC(=O)[C@@H]1c2ccoc2CCN1C(=O)/C=C/c1ccc(O)c(O)c1	862683404	BLDRUSZTUCBDFY-JXTAAOLFSA-N	357.362	2.393	10	10	FECE	
C[C@@H]1CC2(CO1)CC(NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C2	1119756436	LEMZFEXRISWYQL-GGRHHHIRSA-N	359.470	2.004	10	10	FECE	
CC(C)NC(=O)OC1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1	897768719	HORLXDITFCRZHB-UHFFFAOYSA-N	350.396	2.272	10	10	FECE	
CCc1nnc(N2CCO[C@@H](C)C2)n1Cc1ccc2c(c1)CCCN2C	1306215810	TYKQXYHCWNTSJM-HNNXBMFYSA-N	355.486	2.496	10	10	FECE	
O=C(CSc1nnnn1C1CC1)NCc1c(O)ccc2ccccc12	1157037591	USPLXLDYTJYAJS-UHFFFAOYSA-N	355.423	2.275	10	10	FECE	
CCN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)N1Cc2cccc(O)c2C1	1329776269	VJLFTETUGYSTFM-UHFFFAOYSA-N	368.389	2.012	10	10	FECE	
C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1ccc(O)c(O)c1	2118177219	ZKZLJUNFHXORTE-BNOWGMLFSA-N	362.426	2.425	10	10	FECE	
Cn1nccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(CN=[N+]=[N-])CC1	2124517131	YHORUKIDRXXRBF-LBPRGKRZSA-N	363.422	2.193	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1CC(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2124509955	ZNMXGBOVTBDQEJ-BFHYXJOUSA-N	367.450	2.465	10	10	FECE	
O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1	1292880712	LPBSDONYXBLLTM-MRXNPFEDSA-N	355.390	2.375	10	10	FECE	
Cc1cc(Cn2c(-c3sccc3O)nnc2N2CCO[C@H](C)C2)no1	1528333678	TYNCTZQQYOQREV-LLVKDONJSA-N	361.427	2.282	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CCc3ccc(F)cc32)=C[C@H]1O	2136288250	NCMKHAKWCCWWIH-GOEBONIOSA-N	362.401	2.299	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@H]2CCOC2)n1CC1=CCCOC1	1617940636	QBWHCJFVFHPEKB-KRWDZBQOSA-N	370.453	2.471	10	10	FECE	
O=C(COc1cccc(NC(=O)C2CC2)c1)NCc1ccc(O)cc1O	1626837734	DPMMGHNNSDQCFU-UHFFFAOYSA-N	356.378	2.142	10	10	FECE	
C[C@@H](NC(=O)Cn1cc(Br)ccc1=O)c1ccccc1O	1557966508	FLKMDZUKNKSVKV-SNVBAGLBSA-N	351.200	2.194	10	10	FECE	
COC(=O)[C@H](C)CNC(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2	1631875896	XOBVYGIUCYMQOE-CYBMUJFWSA-N	358.438	2.454	10	10	FECE	
CCOCC(C)(C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1565452618	HZNPHROPIQLKTK-QGZVFWFLSA-N	350.507	2.470	10	10	FECE	
COC[C@]1(C(N)=O)CCCN1C(=O)c1cc(C)n(-c2ccccc2)c1C	1848441894	WWKZQNJGDYLABF-FQEVSTJZSA-N	355.438	2.201	10	10	FECE	
COc1cccc(CNS(=O)(=O)c2c(Cl)nc3ccccn23)c1O	161108962	BQPXBVCIKVMJTM-UHFFFAOYSA-N	367.814	2.180	10	10	FECE	
O=C(CCn1c2c(c3ccccc31)CCCC2)N1CCS(=O)(=O)CC1	1851676755	JUBOZASNOAMZSY-UHFFFAOYSA-N	360.479	2.167	10	10	FECE	
COc1cccc(OCC(=O)N[C@@H]2CCCN(Cc3ccc(N)cc3)C2)c1	586059239	IWYROLXKFFGCKI-GOSISDBHSA-N	369.465	2.437	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(COCC(=O)NCCCN=[N+]=[N-])CC1	1963704190	LZMBOOYLTUXLLD-UHFFFAOYSA-N	355.439	2.467	10	10	FECE	
CN(C(=O)CN1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc(N)cc1	311263294	OHWHRVSWXSMZEN-UHFFFAOYSA-N	362.474	2.174	10	10	FECE	
C[C@@H]1COC[C@@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)N1C(=O)OC(C)(C)C	2060618964	GOQXSKJPAKZSGQ-AGIUHOORSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(C(=O)N2CCC[C@H]2CN=[N+]=[N-])CCCO1	2060635783	PDEHTIVYSUHUFP-LRDDRELGSA-N	353.423	2.362	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(CNC(=O)CCc2ccc(N)cc2)CCOC1	2106230491	MUOUMIKNIXENOG-IBGZPJMESA-N	363.458	2.001	10	10	FECE	
CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NCc1cccc(C)c1O	2084062021	AYVAGXHQWZGYRT-CQSZACIVSA-N	352.431	2.247	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(CCCOc2ccc(N)cc2)C1	2106753613	JVMQNLOLNHWSSR-OCCSQVGLSA-N	359.392	2.427	10	10	FECE	
CCCS(=O)(=O)CCN(C)c1ccc(CO)c(Br)c1	2114071099	BFGPFGBYQVNRKQ-UHFFFAOYSA-N	350.278	2.202	10	10	FECE	
Cc1cccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2cnn(C)c2)c1O	2204606338	RUSRHMCKNVZGEO-OAHLLOKOSA-N	374.441	2.316	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](NC(=O)Cc2ccc(N)cc2)C1	2219133750	ODVFLNYWZHBOJK-DZGCQCFKSA-N	351.422	2.275	10	10	FECE	
CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@@H]1CNCc1ccc(N)cc1	2264755021	XZPFFHVSHZRPRB-ZACQAIPSSA-N	365.474	2.008	10	10	FECE	
COc1cccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C(=O)NC2=S)c1	2297327109	BJJOUOCRTUVMGB-UHFFFAOYSA-N	373.346	2.028	10	10	FECE	
COC(=O)[C@@H](NC(=O)C=Cc1cc(C)n(-c2ccc(C)cc2)c1C)[C@@H](C)O	2309453795	AVPVDIWJFVDDFY-UZLBHIALSA-N	370.449	2.454	10	10	FECE	
CC(C)(C)OC(=O)N1CCOCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2313047898	HKRKJYWFPGNKAB-AGIUHOORSA-N	353.423	2.360	10	10	FECE	
CC1=NN(c2ccccc2C)C(=O)/C1=C\Nc1ccc(S(N)(=O)=O)cc1	101350676	XCNYWHJJTFWULR-WJDWOHSUSA-N	370.434	2.361	10	10	FECE	
Cc1ccc(O)c(CN2CCN(C[C@H](O)COc3ccccc3)CC2)c1	122709460	WSWPRYNEFLEEPO-IBGZPJMESA-N	356.466	2.258	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1	74614603	IAMFDWACFUKANL-QGZVFWFLSA-N	370.501	2.297	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2nc[nH]n2)C1	518680399	WLZKZAWYRCURLO-CQSZACIVSA-N	366.469	2.403	10	10	FECE	
CC[C@@H](O)CCNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92437646	ITRONDPXRAPOBF-HXUWFJFHSA-N	374.529	2.179	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(=O)N(C)c3ccccc3)CC2)cc1	243443028	NCWZLPPSXRHVIJ-UHFFFAOYSA-N	353.422	2.007	10	10	FECE	
O=C1C[C@@H]([C@H]2CCCCN2C(=O)NCc2ccc(N3CCCC3)cc2)CN1	367059247	CWTJFZORRALOIR-IEBWSBKVSA-N	370.497	2.487	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccn(C2CCOCC2)n1	625916455	VWSBBHLMTWKJON-UHFFFAOYSA-N	356.426	2.340	10	10	FECE	
Cc1cc(Br)c(O)c(CNCC2(OCCO)CCOCC2)c1	800311357	RWUOZJRSAFRDAY-UHFFFAOYSA-N	374.275	2.111	10	10	FECE	
CN1CCCc2cc(CNC(=O)NC[C@@H](CO)c3cccnc3)ccc21	806635803	VOTOPYSUIGYFRQ-SFHVURJKSA-N	354.454	2.039	10	10	FECE	
CN(C[C@H](O)CNCc1ccc(N2CC=CC2)cc1)C(=O)OC(C)(C)C	819095172	ATKLCQONLYXEMG-GOSISDBHSA-N	361.486	2.380	10	10	FECE	
O=C(OC[C@@H]1COCCO1)c1cccc2c1C(=O)c1ccccc1C2=O	837335866	VVUSSWCKIHVQQK-LBPRGKRZSA-N	352.342	2.034	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1	838142719	AEANVCOXONCQSH-INIZCTEOSA-N	358.312	2.356	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc(/C=C\C(=O)O)o3)CC2)cc1F	911582767	ZDFMWLMMNMAIQV-DAXSKMNVSA-N	374.368	2.488	10	10	FECE	
C[C@@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c2ncnn21	849359900	VWSCLRFEXLSIQX-BXKDBHETSA-N	361.789	2.107	10	10	FECE	
COc1ccc(O)c(CNC(=O)NCCc2cccc3c2OCCO3)c1	918745829	RMNUJLHBMFRKCZ-UHFFFAOYSA-N	358.394	2.214	10	10	FECE	
COc1ccc([C@@H](CC(=O)NCc2c(O)cccc2F)NC(C)=O)cc1	928709469	IPJOQWSIFILVJR-QGZVFWFLSA-N	360.385	2.424	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3cccnc3OC)C2)cc1	851945983	DTXKOGBTAVFLDV-OAHLLOKOSA-N	356.426	2.177	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H]([C@@H]4CCOC4)C3)C2)cc1	852453360	IGRGZKNXODMHGE-ZACQAIPSSA-N	359.470	2.342	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)C(F)(F)C1(O)CCCCC1	764423565	CSHPWNLOILSBRH-UHFFFAOYSA-N	368.424	2.470	10	10	FECE	
C[C@H](NC(=O)N1CCO[C@@H](C2CC2)C1)c1ccc(N2CCOCC2)cc1	776859483	DCZOHDVUWDJCBC-HNAYVOBHSA-N	359.470	2.405	10	10	FECE	
C[C@H]1Cc2cc(S(=O)(=O)Nc3ccc(O)c([N+](=O)[O-])c3)ccc2O1	775285789	CBAAVCUERLJOML-VIFPVBQESA-N	350.352	2.425	10	10	FECE	
O=C1C[C@@]2(CCN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2)CN1	789766841	AOAZYRWFOCTBOQ-IBGZPJMESA-N	358.442	2.297	10	10	FECE	
C[C@@H](NC(=O)C(=O)NCc1cc(C2CC2)no1)c1ccc(N(C)C)cc1	897864778	BOYFFTBAPLKIGK-GFCCVEGCSA-N	356.426	2.112	10	10	FECE	
COC(=O)c1c(CN2CCC[C@H](CC(N)=O)C2)c2cc(F)ccc2n1C	894077045	VAHYZRYBAJBCHT-GFCCVEGCSA-N	361.417	2.191	10	10	FECE	
COc1ccc([C@H](C)NC(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1F	1325392851	PGANIOSIPFIMEC-ZDUSSCGKSA-N	373.428	2.394	10	10	FECE	
C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1	2132399568	GRNBIPXWKXSQCG-PWSUYJOCSA-N	366.414	2.179	10	10	FECE	
CN1C(=O)[C@H](N)c2ccc(N(Cc3ccccc3)[C@@H](CO)C3CC3)cc21	1915201521	FKIYKPJIDRZJSG-VQTJNVASSA-N	351.450	2.440	10	10	FECE	
C[C@H]1CC[C@@H](C(N)=O)CN1c1nnc(-c2sccc2O)n1CC1CC1	1527163492	FTEZMDWKAGYBNZ-CMPLNLGQSA-N	361.471	2.212	10	10	FECE	
C[C@H](NCc1cc(F)cc(F)c1O)C1(O)CN(C(=O)OC(C)(C)C)C1	1918716858	GXHUTMNTZFNRHU-JTQLQIEISA-N	358.385	2.130	10	10	FECE	
C[C@H]1CCn2cc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)nc2C1	1536934056	QEAXHFSMXRMAOK-INIZCTEOSA-N	367.497	2.147	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCCN(C(=O)c2cccc(F)c2)CC1	1540664342	FIOJRALAHMIQGN-UHFFFAOYSA-N	372.396	2.154	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)CN1CCC[C@@H](C(=O)OCC)C1	1622319522	NULSSYBBUKYBCF-QGZVFWFLSA-N	362.470	2.406	10	10	FECE	
CCOC(=O)c1cc(CNC(=O)N[C@@H](C)c2cc(OC)ccc2O)on1	1565237680	PHTQJSFAQYMSRC-JTQLQIEISA-N	363.370	2.126	10	10	FECE	
COC(=O)c1ccc(/C=C2/SC(=S)N([C@H](C)C(=O)OC)C2=O)cc1	6098143	GYDLRHKPTZOFAR-YXYQAXARSA-N	365.432	2.236	10	10	FECE	
C[C@@H](NC(=O)NCc1cc(S(C)(=O)=O)ccc1F)c1ccccc1O	1686247867	YBKLUJIANRXWRA-LLVKDONJSA-N	366.414	2.495	10	10	FECE	
CN1CCc2cc(CN[C@@H]3CO[C@H]4CN(C(=O)OC(C)(C)C)C[C@@H]34)ccc21	2178141613	BMXUNGIFTJZLNX-SCTDSRPQSA-N	373.497	2.403	10	10	FECE	
CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)Nc2ccc(N)cc2)C1	694875432	ZYJBFHCKTDJLQE-IBGZPJMESA-N	353.470	2.207	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H](C(=O)C(=O)C[C@H]3C[C@H](N)C3)C[C@H]2C1	2049782932	OSHDOFXVORJWKV-JYTFJORESA-N	350.459	2.145	10	10	FECE	
CC(C)(C)OC(=O)N1[C@@H](CNC(=O)Cc2ccc(N)cc2)COC1(C)C	2106256421	BAWDNQAQAOYZQQ-HNNXBMFYSA-N	363.458	2.300	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CCCC12CC2	2219876203	VUWMIAMRTAPQMT-JMERFSKESA-N	350.459	2.480	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H](NC(=O)COc2ccc(N)cc2)C1	2226270266	SZGPDESSPOJTQN-JSGCOSHPSA-N	367.421	2.111	10	10	FECE	
C[C@H](NCCn1cnc(I)c1)c1ccc(O)cc1O	2228829839	HQBVVLGBOJLYFC-VIFPVBQESA-N	373.194	2.250	10	10	FECE	
CC[C@H](C)N1C(=O)C(=CNCCc2c[nH]c3ccccc23)C(=O)NC1=S	2297053641	MQDRBRURLZVRRU-LBPRGKRZSA-N	370.478	2.226	10	10	FECE	
Cc1ccn(C)c(=O)c1NC(=O)C=Cc1ccc(N2CCOCC2)cc1	2298021260	OZDMDFQGCMPBKI-UHFFFAOYSA-N	353.422	2.182	10	10	FECE	
CNC(=O)c1ccc(C=CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1	2308464747	GZYMQVSZPZGVGW-ZDUSSCGKSA-N	354.406	2.218	10	10	FECE	
CCN(CC)c1ccc(CN2CCN(Cc3ccccn3)C(=O)C2=O)cc1	33874795	FPIDXEXPTVKRGD-UHFFFAOYSA-N	366.465	2.299	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(=O)NC3CCCCCC3)CC2)cc1	244321621	XISSHPLKPHXXIQ-UHFFFAOYSA-N	359.470	2.183	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCC(CO[C@H]3CCNC3)CC2)c1O	530238402	NIRPHOMPWWPUSM-KRWDZBQOSA-N	350.434	2.324	10	10	FECE	
COc1cc(O)c(CN[C@H]2CCCN(c3cc(C)nn3C)C2)cc1OC	278763456	UBIXXKVZLQXKQP-HNNXBMFYSA-N	360.458	2.210	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)CN(C)C)C1	553790650	AUGBSBXXPVIZLF-INIZCTEOSA-N	356.514	2.474	10	10	FECE	
Cc1cc(C(=O)CN2CC[C@](F)(CO)C2)c(C)n1-c1ccc2c(c1)OCO2	802011578	CFBLDLNEYJRTSH-HXUWFJFHSA-N	374.412	2.412	10	10	FECE	
CC(=O)N[C@H](C(=O)NCc1cc(Br)ccc1O)C1CCCC1	804735577	AFDQRLLKXUNNEH-HNNXBMFYSA-N	369.259	2.466	10	10	FECE	
CC(C)(C)/C=C\C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	735036355	AMUWCFNMSLDGON-HJWRWDBZSA-N	350.484	2.140	10	10	FECE	
C[C@@H](NC(=O)[C@@]1(C)C[C@H](O)CN1C(=O)OC(C)(C)C)c1ccccc1O	913763980	XMPSWJSIGWDTLA-QHRIQVFBSA-N	364.442	2.330	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3CCC(C4(O)CC4)CC3)C2)cc1	845268441	MIOINVWKMPDGKL-INIZCTEOSA-N	373.497	2.468	10	10	FECE	
COC(=O)c1ccnc(C(=O)N(C)CCN(C)c2ccc(OC)cc2)c1	844857270	RQMXDUFLMBISGC-UHFFFAOYSA-N	357.410	2.085	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)c1	849564586	QACQFWYMDOITTK-FDQGKXFDSA-N	372.469	2.047	10	10	FECE	
O=C([C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)N1Cc2cccc(O)c2C1	913726399	OBHOXAXEUQRNLY-RDJZCZTQSA-N	367.323	2.045	10	10	FECE	
CC1(C)[C@H]2NCCC[C@H]2[C@@H]1NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	925484856	JAZTUPWWQAJVPG-LMCOJAPRSA-N	370.541	2.255	10	10	FECE	
CCOCCOc1ccc(S(=O)(=O)NCc2c(O)cccc2F)cc1	921452258	JHQZBOFOZZYOTE-UHFFFAOYSA-N	369.414	2.425	10	10	FECE	
Cc1cc(CC(=O)NC[C@](C)(O)CCN(C)C)c(C)n1-c1ccccc1	857184197	YDLDVLPUTUTGSG-OAQYLSRUSA-N	357.498	2.456	10	10	FECE	
COc1ccc(N2CCC(N[C@@H]3CC[C@@H](C)S(=O)(=O)C3)CC2)cc1	850369469	KPSUSIQKJGVGFR-GDBMZVCRSA-N	352.500	2.219	10	10	FECE	
COCCN(CCF)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	852386305	BHLDBLPWMGTCRF-OAHLLOKOSA-N	353.438	2.149	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCCNc3ccccn3)C2)cc1	852453104	GFSULHDTJLKFJG-OAHLLOKOSA-N	355.442	2.080	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCN2C)C1	928556300	NUQYPLSVZUTULL-INIZCTEOSA-N	354.498	2.228	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)NCC[S@@](=O)CC(F)(F)F)c1	852461828	LFKBSTWZQMWTNF-MXUQEVIESA-N	368.377	2.072	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN3C[C@H]4CCCC[C@@H]4C3)CC2)cc1	754049849	FZMLVVFLNJTJBP-SBHAEUEKSA-N	373.541	2.300	10	10	FECE	
CCCc1[nH]nc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1[N+](=O)[O-]	855229588	BCRZVLJAHQCCJU-LBPRGKRZSA-N	373.413	2.288	10	10	FECE	
CC1(C)OCC[C@@H]1CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	852684666	LSMKESHDUOIWBC-MRXNPFEDSA-N	361.486	2.262	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CCOC12CCCCC2	1119729037	OCBHFMGISXALLJ-GOSISDBHSA-N	373.497	2.285	10	10	FECE	
COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1	775285783	BWHQYRPLASSZDI-UHFFFAOYSA-N	366.351	2.196	10	10	FECE	
C[C@H](NC(=O)C(=O)Nc1cnn(C)c1C(F)F)c1ccc(N(C)C)cc1	773848303	VMUNGRBASAKRCV-JTQLQIEISA-N	365.384	2.240	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC(c2cnn(C)c2)=NO1	1124939293	KJJVQGTYSWNIGZ-IBGZPJMESA-N	369.469	2.416	10	10	FECE	
COC(=O)c1c(CNCCSCCCO)c2cc(F)ccc2n1C	894234965	MRFJGIWWXWQRPY-UHFFFAOYSA-N	354.447	2.309	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H](CO)C3)N(C)C)cc1	898144803	NAMOPFAFZSTAFY-IZHFEEFNSA-N	374.529	2.062	10	10	FECE	
COC(=O)c1cccc(N)c1N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1OC	2122552696	PSOIJVKXZCDJNX-KGLIPLIRSA-N	365.430	2.102	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)c3ccc(O)c(O)c3)C[C@H]2C1	2118185643	VVXBPZCZRVJXNT-BTTYYORXSA-N	362.426	2.473	10	10	FECE	
C[C@H]1[C@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1cccc(O)c1O	2118180852	KLPQGDBQUVMUPL-VDDIYKPWSA-N	360.332	2.015	10	10	FECE	
CON(C)c1nnc(-c2cnccn2)n1CCCSc1nccs1	1519462352	QRKNEKKWWFNEEY-UHFFFAOYSA-N	363.472	2.372	10	10	FECE	
COc1ccc(N2CCN(C(=O)/C=C\[C@H]3COC(C)(C)O3)CC2)cc1F	1445848919	VSSWWMKDNARSEP-PKYBCLHXSA-N	364.417	2.191	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1cc(Br)c2nccn2c1	1299575078	XNBOWOKFNAHUIO-UHFFFAOYSA-N	362.183	2.438	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cncc2[nH]ccc12	1299700080	XAUDHAVPYANFBW-UHFFFAOYSA-N	353.378	2.474	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N2CC(=O)N(C)C[C@@H]2C)CCCC1	1459119897	ZQHOBSZGOSOSAB-AWEZNQCLSA-N	369.465	2.218	10	10	FECE	
Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)NCc1ccc(O)cc1O	1469163260	RCLOSOGZIMSLAI-UHFFFAOYSA-N	362.386	2.108	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3cccc(N(C)C)c3)cc2)CC1	1536924730	LYPANBGNBYDJDC-UHFFFAOYSA-N	352.482	2.434	10	10	FECE	
CNC(=O)N[C@@H]1CCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1	1611253196	HWRVLWMFTGGVKO-QGZVFWFLSA-N	354.454	2.167	10	10	FECE	
O=C(NCc1ccc(N2CCCNC2=O)cc1)c1c(F)ccc(O)c1O	1559019936	JHHUIWBIQKQEOY-UHFFFAOYSA-N	359.357	2.087	10	10	FECE	
CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCc1c(O)cccc1O	1647270639	VMWRVKDPFLINHQ-QGZVFWFLSA-N	354.406	2.250	10	10	FECE	
COCc1c(C(=O)NCc2c(O)cccc2O)cnn1-c1ccccc1	1647270640	VOFJIZHKAUUDJJ-UHFFFAOYSA-N	353.378	2.360	10	10	FECE	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cn1cnc(N)n1	1597567585	SLFGTEBWHNUZIU-AWEZNQCLSA-N	351.410	2.356	10	10	FECE	
CO[C@H](C(=O)N[C@H](C)c1ccccc1O)C1CN(C(=O)OC(C)(C)C)C1	1877567976	QJPCJWTYFCGKQF-WBMJQRKESA-N	364.442	2.451	10	10	FECE	
C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C1(O)CCC1)c1ccccc1O	1877573205	IGKACXFIQJPJDL-WFASDCNBSA-N	364.442	2.378	10	10	FECE	
C[C@H](NC(=O)[C@H]1COCC[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O	1877573151	HRMKLQNSSPWFDC-AEGPPILISA-N	364.442	2.499	10	10	FECE	
CN(C)c1ccc([C@H](N)C2(O)CN(C(=O)OCc3ccccc3)C2)cc1	1979576387	BIFOUNLXOGPWBV-SFHVURJKSA-N	355.438	2.136	10	10	FECE	
CCOC(=O)Cc1cc(O)n2nc(C3CCCCC3)c(C(=O)OC)c2n1	2080924192	PXCSQFZFXNBYJC-UHFFFAOYSA-N	361.398	2.375	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@]1(C)C(=O)NCc1ccccc1O	1183636194	VHNWYBCGHUUXMM-GOSISDBHSA-N	350.415	2.034	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@]12CCOC[C@@H]1CN(C(=O)OC(C)(C)C)C2	2060616402	ACVVNKDGLMKCIO-LRDDRELGSA-N	353.423	2.029	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2060617628	PEGJJSISWYQYCR-YNEHKIRRSA-N	353.423	2.170	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@]1(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CCOC1	2060632994	ILHRGMHIPKKUNC-MLGOLLRUSA-N	353.423	2.171	10	10	FECE	
C[C@@H](NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)c1ccccc1O	2072479309	HPMUTZONCCFECK-KZULUSFZSA-N	350.415	2.253	10	10	FECE	
NCc1ccc(N2CC(S(=O)(=O)C(F)(F)F)C2)c(Br)c1	2237658360	PMRRYSBDCGVUGO-UHFFFAOYSA-N	373.194	2.031	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H]2OCCC[C@H]21	2260006213	PMFDZZSOZINHDG-WQGACYEGSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)N3CCC[C@@H](CN=[N+]=[N-])C3)(C1)C2	2266083333	UFTAFOSMGFNFOS-ZLIFDBKOSA-N	365.434	2.362	10	10	FECE	
COC(=O)[C@@H]1CCN(C(=O)C=Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C	2311498086	GKRLSJMSZLHZAW-QFBILLFUSA-N	372.465	2.194	10	10	FECE	
C[C@@H](NC(=O)CCN(CCO)C(=O)OC(C)(C)C)c1ccccc1O	2319779033	PUWCGNXRHNCOJJ-CYBMUJFWSA-N	352.431	2.189	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@@]2(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2335136373	SDAHAEBXFKGLQI-ZOPJHEKZSA-N	365.434	2.360	10	10	FECE	
CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C/c1ccc(N(C)C)cc1	101656108	UQPKUFIQGLBPFN-GHRIWEEISA-N	358.438	2.462	10	10	FECE	
COc1ccccc1N/C=C1\C(=O)NC(=S)N(c2ccccc2)C1=O	100296145	RJNKNWLZMBFDJB-ACCUITESSA-N	353.403	2.439	10	10	FECE	
O=C(NN1C(=O)/C(=C\c2ccc[nH]2)SC1=S)c1ccc([N+](=O)[O-])cc1	27231264	HYGXBMSIZVBSIZ-XYOKQWHBSA-N	374.403	2.469	10	10	FECE	
Cc1cc(C(=O)N2CCNC[C@H]2c2cnn(C)c2)c(C)n1-c1ccccn1	181365828	GHMBUIFNHPOYBF-SFHVURJKSA-N	364.453	2.009	10	10	FECE	
C[C@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCCC1	184658256	PRCBLEKMFRGFPN-HNNXBMFYSA-N	363.477	2.447	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cnc2c(c1)ncn2C	183574804	RLVSZRQEGIERNY-UHFFFAOYSA-N	365.437	2.077	10	10	FECE	
COCCNc1cc(C)nc(N2CCN(c3ccc(OC)cc3)CC2)n1	244422696	YUMHTFFSAXJDNG-UHFFFAOYSA-N	357.458	2.179	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@@]2(CCCOC2)C1	376628863	UGSZVUIATGSNEH-FQEVSTJZSA-N	359.470	2.235	10	10	FECE	
CCCN(Cc1cc(C)cc(Br)c1O)[C@@H]1CC(=O)N(C)C1=O	802656216	MACABHREEWUVSL-CYBMUJFWSA-N	369.259	2.432	10	10	FECE	
COC(=O)c1ccc(C(=O)NCc2cc(Br)ccc2O)[nH]1	816653753	GUEYEMMULSDJRI-UHFFFAOYSA-N	353.172	2.199	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(N2CCC2)nc1	822270025	WRRDOKMSTOEBQC-UHFFFAOYSA-N	366.465	2.401	10	10	FECE	
CCOC(=O)c1ccc[n+]([O-])c1/C=C\c1ccc(N2CCN(C)CC2)cc1	901538712	NNIXCXSZRJHNTE-FLIBITNWSA-N	367.449	2.419	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cc3c(C)cc(C)nc3O)CC2)cc1F	906949115	DYGDCVNYCVGURT-UHFFFAOYSA-N	373.428	2.443	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)NC1([C@H]2CCCCO2)CC1	914335734	RAGVEJHJBAPUIM-GOSISDBHSA-N	359.470	2.424	10	10	FECE	
COc1cc(Br)cc([C@H](C)NCCNC(=O)C2CC2)c1O	848513928	IWQZWFPYRFEOLA-VIFPVBQESA-N	357.248	2.340	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3CCC[C@]4(CCNC4)C3)CC2)cc1	841778549	CVPFXTBCILRNSU-OAQYLSRUSA-N	372.513	2.449	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2CC1=NS(=O)(=O)c2ccccc21	851881591	MXQWDCAACIIMCG-UHFFFAOYSA-N	357.435	2.143	10	10	FECE	
Cc1nn(C)c(C)c1C(=O)NC1(C(=O)NCc2ccccc2O)CCCC1	769364941	LCGOVLNXBLTTGB-UHFFFAOYSA-N	370.453	2.102	10	10	FECE	
COc1ccc(OCCS(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1	775285950	GBOPEPXLKPWRFO-UHFFFAOYSA-N	368.367	2.130	10	10	FECE	
COc1cc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)nn1C	775912205	ZULNPROAARCSLT-CYBMUJFWSA-N	359.430	2.148	10	10	FECE	
COc1nn(C)cc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	789319500	YVIDCAUPVCJINK-CYBMUJFWSA-N	359.430	2.148	10	10	FECE	
COc1ccc(N2CCCN(C(=O)c3cccc4ncnn34)CC2)cc1	782165885	FOYPQVGBRNIRHV-UHFFFAOYSA-N	351.410	2.090	10	10	FECE	
CNC(=O)N[C@H]1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1	1138110263	WYALEEOHZUAMFV-HNNXBMFYSA-N	370.453	2.246	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)c2nn(-c3cccnc3)nc2C)c1	1137473152	AHFKRNJNDWTBBX-NSHDSACASA-N	353.382	2.176	10	10	FECE	
CC(C)n1cnc(S(=O)(=O)NCc2cc(Br)ccc2O)c1	796191925	QXHASGGAWADKHB-UHFFFAOYSA-N	374.260	2.411	10	10	FECE	
CCn1nccc1CN(CCO)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	793165746	BCLUYXRLRBYJLD-HNNXBMFYSA-N	359.474	2.234	10	10	FECE	
Nc1cc(F)c(F)cc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1	1148706071	QWWVBBQECKPKAW-UHFFFAOYSA-N	361.392	2.438	10	10	FECE	
CN(C)CCN(C(=O)OC(C)(C)C)[C@@H](C(N)=O)c1ccc(N(C)C)cc1	698970448	UAIWKUDVACFCNU-MRXNPFEDSA-N	364.490	2.078	10	10	FECE	
C[C@@H](N[C@H](C)c1nc(N)nc(Cl)n1)c1ccc(N2CCOCC2)cc1	1307641316	FOFCRRZVDZBHRH-VXGBXAGGSA-N	362.865	2.356	10	10	FECE	
COC(=O)[C@H]1CCCN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)C1	1315075012	AFUDWCPSCGHVAK-KRWDZBQOSA-N	371.485	2.399	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	2124027664	KGBQGNBJAYSJLG-CHWSQXEVSA-N	368.405	2.104	10	10	FECE	
Cn1c(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)cnc1CNC(=O)OC(C)(C)C	2124539585	XHUMNAJSFZIVIW-NSHDSACASA-N	363.422	2.217	10	10	FECE	
COC(=O)c1c(CN2CCc3nnc(O)cc3C2)c2cc(F)ccc2n1C	1331567530	UCPWLVQWUYYKMO-UHFFFAOYSA-N	370.384	2.158	10	10	FECE	
Cc1cc(CC(=O)NC[C@@H](C(=O)O)[C@H]2CCOC2)c(C)n1-c1ccccc1	1345169955	IQTIAPLJAWZKDX-QFBILLFUSA-N	370.449	2.490	10	10	FECE	
C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1nc(Cc2ccccc2)no1	1545338162	RQFSTZZAAMTXPD-GFCCVEGCSA-N	353.378	2.492	10	10	FECE	
C[C@H](NC(=O)/C=C\[C@H]1COC(C)(C)O1)c1ccc(N2CCOCC2)cc1	1542402972	FHXDEEKRFDFSCV-VFGATPKVSA-N	360.454	2.408	10	10	FECE	
COC(=O)CCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S	1212793	DTAGRDPUKVYLOF-FLIBITNWSA-N	352.393	2.359	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1	1637481007	HXNTWKRDBUPYHY-INIZCTEOSA-N	372.465	2.282	10	10	FECE	
CCc1nnc(N2CCSCC2)n1Cc1ccc(N2CCOCC2)cc1	1694767295	SJCYJGBSEWUXLQ-UHFFFAOYSA-N	373.526	2.279	10	10	FECE	
C[C@H]1CN(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)[C@H](C)CO1	161782574	OEKCGLOTPZFXAR-CABCVRRESA-N	368.499	2.491	10	10	FECE	
Cc1cnc(C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)cn1	1866000995	UKPIIIGXBMGHFO-KRWDZBQOSA-N	350.426	2.104	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(C(=O)NCc2ccccc2O)CCCO1	1966109456	SSLDWNAHIALZLG-SFHVURJKSA-N	350.415	2.082	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC(C2CN(C(=O)OC(C)(C)C)C2)C1	2196642789	ZLZPYIAHNMETGR-ZDUSSCGKSA-N	374.485	2.395	10	10	FECE	
Nc1cccc(Br)c1S(=O)(=O)NCc1ccccc1O	2191708248	SJEOGAQLSBSQOZ-UHFFFAOYSA-N	357.229	2.215	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NCc2cc(F)cc(F)c2O)C1	2063344117	COLOHQWYZNETGY-ZIAGYGMSSA-N	358.385	2.130	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1C(=O)NCCc1ccc(O)c(O)c1	2085021284	DJTHQNUXPHXKAL-CHWSQXEVSA-N	350.415	2.060	10	10	FECE	
CC(C)(C)OC(=O)NC1CC(CCNC(=O)COc2ccc(N)cc2)C1	2106264110	FQUIZBGCPAEMMD-UHFFFAOYSA-N	363.458	2.457	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)c1cn(CCCNC(=O)OC(C)(C)C)cn1	2218276511	PAJABWJUGDTATB-UHFFFAOYSA-N	351.411	2.180	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2218742333	QNQGXNYMDXQPAA-LOWDOPEQSA-N	353.423	2.264	10	10	FECE	
Cc1cccc(O)c1CNCC(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1	2272878931	VUNJNOXLVRDTIW-UHFFFAOYSA-N	372.412	2.407	10	10	FECE	
CN1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NC1=S	2293131200	AJTRLWHFNRJCHJ-UHFFFAOYSA-N	357.347	2.111	10	10	FECE	
Cc1ccc(N2NC(=O)C(=Cc3cccc([N+](=O)[O-])c3O)C2=O)cc1C	2297341361	QVZZYVKWNLHGQX-UHFFFAOYSA-N	353.334	2.379	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N1CCS[C@@H]2COCC[C@@H]21	2301507010	XLULWSAKULPAAK-RBUKOAKNSA-N	374.506	2.269	10	10	FECE	
CN(C)c1ccc(CNC[C@H](O)COc2ccc3c(c2)OCO3)cc1F	113327845	DTCCZPBAWPTCQX-AWEZNQCLSA-N	362.401	2.150	10	10	FECE	
CCc1nc2n(n1)C[C@H](NC(=O)N(CC)Cc1ccc(N(C)C)cc1)CC2	114978371	KKRYRZXHBXDPLW-MRXNPFEDSA-N	370.501	2.453	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)CCO3)cc1F	195276011	GLIHBLDDBWAHLP-UHFFFAOYSA-N	357.385	2.082	10	10	FECE	
CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc(N3CCOCC3)cc2)C1	190157736	KDICTWLDCFKXPE-MSOLQXFVSA-N	358.442	2.177	10	10	FECE	
C[C@H]1CN(Cc2ccccc2)CCN1c1ccc2c(c1)N(C)C(=O)[C@@H]2N	382692144	HZPGBJYWLJJEEA-MGPUTAFESA-N	350.466	2.374	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC[C@@H](Cn3cncn3)C2)c([N+](=O)[O-])c1	255037117	UVCZEUDLUGCMMK-ZQMJAJRESA-N	371.397	2.289	10	10	FECE	
C[C@@H]1CCOCCN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	362258618	RKBIWPKVDAZVNH-CQSZACIVSA-N	365.449	2.107	10	10	FECE	
COc1ccc(N2CCN(C(=O)CSCc3cnn(C)c3)CC2)cc1	808370924	HFWBVDQDEKPLIY-UHFFFAOYSA-N	360.483	2.011	10	10	FECE	
Cc1ccn(C)c(=O)c1NC(=O)NCc1cc(Br)ccc1O	806342009	BJWUIXCYHZRNLQ-UHFFFAOYSA-N	366.215	2.484	10	10	FECE	
Cc1nnsc1CNC(=O)NCc1cc(Br)ccc1O	813849186	IWWWTEFXMOIJNC-UHFFFAOYSA-N	357.233	2.314	10	10	FECE	
CS(=O)(=O)[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@H]1C(F)(F)F	826893860	DKKZZJBQYKPLST-BXKDBHETSA-N	357.781	2.453	10	10	FECE	
O=S1(=O)CCCN1CCCNCc1ccc(N2CCCCC2)cc1	731451147	XGFKRJQLCIVGBG-UHFFFAOYSA-N	351.516	2.192	10	10	FECE	
CCN(CC)c1ccc(CNS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1F	731356589	LLKJOWBALGARKO-KBPBESRZSA-N	373.494	2.116	10	10	FECE	
CN(C)c1ccc(/C=C/CN[C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1	835043349	PJKOLDZUJHNMRG-MJICGBHWSA-N	353.470	2.285	10	10	FECE	
Cc1cc(C(N)=O)cc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)c1	849335155	OFNHJCCVVNYMHE-UHFFFAOYSA-N	359.451	2.495	10	10	FECE	
CCOCc1cc(CN[C@@H]2CCN(C3CCOCC3)C2=O)ccc1OC	747622799	YOEXMGOIZBZDLL-GOSISDBHSA-N	362.470	2.101	10	10	FECE	
Cc1c(S(=O)(=O)NCc2cc(Cl)ccc2O)coc1C(=O)N(C)C	845995414	BALBRBYOOXAVEC-UHFFFAOYSA-N	372.830	2.127	10	10	FECE	
O=C(C[C@@H]1CCCO1)NCc1cc(NC(=O)C[C@H]2CCCO2)ccc1O	923124893	ULJLNKHQRVXWQG-JKSUJKDBSA-N	362.426	2.085	10	10	FECE	
C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)NCc3c(O)cccc3F)O2)[C@@H]1C	924049038	DEDYZTNJVIBECG-OVSNFEJUSA-N	352.406	2.303	10	10	FECE	
Cc1cc(N(C)C)ccc1CN1Cc2cccnc2N2C[C@H](O)C[C@H]2C1	856535576	DARNWBMKWZCCHS-VQTJNVASSA-N	352.482	2.411	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3cc(N(C)C)ccn3)C2)cc1	923182998	JVGRVQIDFNRKAQ-OAHLLOKOSA-N	369.469	2.234	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)COc3cccc(C=O)c3)C2)cc1	855230653	GXBFSXOHIWAOMH-INIZCTEOSA-N	354.406	2.282	10	10	FECE	
Oc1c(F)cccc1CN1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1	853249266	OOBYKMJSAFFSNW-AWEZNQCLSA-N	359.449	2.044	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3c(OC)ccnc3OC)CC2)cc1	864470176	DZRKBQJRPFHZNU-UHFFFAOYSA-N	357.410	2.070	10	10	FECE	
NC(=O)C[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)CCO1	862535777	YSRUCMSGULPAKA-GOSISDBHSA-N	356.422	2.047	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(CN2CCOCC2)cc1	779476209	YCQAASBHJUKGLH-SOFGYWHQSA-N	368.433	2.260	10	10	FECE	
Cc1cc(C(=O)CN2C[C@@H](O)C[C@@H]2C)c(C)n1-c1ccc2c(c1)OCO2	788275898	QBBFYIVLIIRHQS-LRDDRELGSA-N	356.422	2.461	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2cc(Cl)sc2S(N)(=O)=O)cc1	1135642656	KYJJVDYTLYAWBP-UHFFFAOYSA-N	373.887	2.045	10	10	FECE	
CSc1c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cnn1C	790364422	AQQRHUPAKPSVOK-UHFFFAOYSA-N	364.446	2.048	10	10	FECE	
COc1cccc(CNC[C@@H]2C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c1O	2116205705	MWOCMOFFBRQRJA-NWANDNLSSA-N	366.458	2.155	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2COC[C@@]2(C(=O)N2CCC(N=[N+]=[N-])CC2)C1	2124541276	QQVCBYRDTBQJAL-PXAZEXFGSA-N	365.434	2.171	10	10	FECE	
COC(=O)C[C@@H]1CCC[C@H]1NC(=O)N[C@@H](C)c1cc(OC)ccc1O	1256486461	AKYIOZTWJGPYQE-SLEUVZQESA-N	350.415	2.493	10	10	FECE	
CC(C)(C)C(=O)N1CCO[C@H](C(=O)Nc2c(Cl)ccc3nonc23)C1	1520358381	ARXOGMOCMVVBSX-NSHDSACASA-N	366.805	2.088	10	10	FECE	
O=C(NC1CN(C(=O)OCc2ccccc2)C1)N1Cc2cccc(O)c2C1	1636080803	QQRLUEISFQLLHS-UHFFFAOYSA-N	367.405	2.438	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)NCc1cc(O)ccc1O)CC1CC1	1637126375	VYJFKTMCOXNFEK-UHFFFAOYSA-N	350.415	2.361	10	10	FECE	
CC(C)[C@@H](C(=O)NCc1cc(O)ccc1O)N1Cc2ccccc2C1=O	1637125927	HJIFHUCGGVFFRJ-SFHVURJKSA-N	354.406	2.395	10	10	FECE	
CC1(C)OC(=O)C(=CNc2ccc(C(=O)N3CCCCC3)cc2)C(=O)O1	14567028	ZKAACBZMGFCHBD-UHFFFAOYSA-N	358.394	2.445	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)NCC3(CN=[N+]=[N-])CC3)O2)C1	2140445422	NBIIILLGFWBKLU-LBPRGKRZSA-N	365.434	2.362	10	10	FECE	
COC[C@@H](C)OC(=O)CNCc1cc(Cl)cc(Br)c1O	1857873129	ROLAQXYTVHKLDG-MRVPVSSYSA-N	366.639	2.476	10	10	FECE	
C[C@H](NC(=O)[C@@H]1COCC[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O	1877573153	HRMKLQNSSPWFDC-NWANDNLSSA-N	364.442	2.499	10	10	FECE	
C[C@@H](O)CN(CCN[C@H](C)c1c(O)cccc1O)C(=O)OC(C)(C)C	310604257	BOQGIMPIHPBCSH-CHWSQXEVSA-N	354.447	2.366	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1	2049781384	UQGOGXLMFRUYCV-JKPJVAMOSA-N	350.459	2.191	10	10	FECE	
CO[C@@]1(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CCN(C(=O)OC(C)(C)C)C1	2060616496	BCVWGMOETOHCCC-WBMJQRKESA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H](N=[N+]=[N-])CC1)C(C)(C)O	2067739060	FBKUPZIBMFGOME-RYUDHWBXSA-N	355.439	2.342	10	10	FECE	
C[C@H]1CCN1C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2080886834	JIIRCZQCVUULAQ-AAEUAGOBSA-N	350.415	2.154	10	10	FECE	
C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)COc1ccc(N)cc1	2106259112	IIBVGAQFGSKCOC-CZUORRHYSA-N	363.458	2.409	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H](CCC(=O)N2CC[C@H](N=[N+]=[N-])C2)C1	2263325624	LCFDBRNCVXAGIK-STQMWFEESA-N	353.423	2.314	10	10	FECE	
CN(C(=O)c1ccc(O)c(O)c1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F	2320525263	KGDZIASNXQZKGX-RYUDHWBXSA-N	354.378	2.127	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)N[C@@H]3CCC[C@@H]3N=[N+]=[N-])[C@@H]2C1	2333612871	CYPNQJJYNSGZPQ-ZSLBOAEBSA-N	365.434	2.216	10	10	FECE	
COc1ccc(N2CCN(C=O)CC2)cc1NC(=O)NC1CCCCC1	62192149	MUTQQIDNZMOHJP-UHFFFAOYSA-N	360.458	2.428	10	10	FECE	
CN(C)c1cccc(C(=O)NC2=N[C@H](c3ccccc3F)CC(=O)N2)c1	20924659	DQEJJTYMXSDAMP-INIZCTEOSA-N	354.385	2.239	10	10	FECE	
Cc1cc(C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)c(C)n1-c1ccccc1	180695560	OMYUKSKPMBPWAM-PKOBYXMFSA-N	369.465	2.460	10	10	FECE	
Cc1cc(C(=O)N2CC(NC(=O)C3CCC3)C2)c(C)n1-c1ccccn1	188569085	CWZUINFUKSHGPX-UHFFFAOYSA-N	352.438	2.230	10	10	FECE	
COc1ccc(N2CCCC2)cc1NS(=O)(=O)c1c(C)n[nH]c1C	41373145	GFWXREKBGRBHDL-UHFFFAOYSA-N	350.444	2.436	10	10	FECE	
Cc1ccc(-n2c(C)cc(/C=C/C(=O)NCCOCC(N)=O)c2C)cc1	137405444	RMTVSOJLSSPPAH-RMKNXTFCSA-N	355.438	2.034	10	10	FECE	
COCC[C@@H](C)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	93789012	XMYBBCOXRMVHCM-QGZVFWFLSA-N	374.529	2.443	10	10	FECE	
CN[C@H](C)c1ccc(N2C[C@H](O)C[C@@H]2CN(C)C)c(Br)c1	97246490	YVBHDMYFPQZREK-MRVWCRGKSA-N	356.308	2.231	10	10	FECE	
CCCCNC(=O)c1ccc(N2CCN(c3ccc(OC)cc3)CC2)nn1	244015416	SNHFHPLAPDROFZ-UHFFFAOYSA-N	369.469	2.342	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)NCc2c(O)ccc3c2CCCC3)c1	255474791	VHZNSGVNHDVZEA-TWGQIWQCSA-N	365.433	2.355	10	10	FECE	
CSc1cnc(NCc2ccc(N3CCN(C(C)=O)CC3)cc2)nc1	804645223	UVFYAEUPCIYEBM-UHFFFAOYSA-N	357.483	2.479	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)c1nc(NC(=O)c2ccc(O)c(O)c2)n[nH]1	2130120126	ZLSJOJQDUVDGMT-MRVPVSSYSA-N	363.374	2.054	10	10	FECE	
OC1CCN(c2ccc(CNC[C@@H](O)c3ccc(F)cn3)cc2F)CC1	819121484	LOGPNENLEGZRHG-LJQANCHMSA-N	363.408	2.144	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N2CCn3nncc3C2)CCCC1	654021460	QVUCFKBMZGQFQW-UHFFFAOYSA-N	365.437	2.163	10	10	FECE	
CC(C)(CNC(=O)NCc1ccc(N2CCCC2)cc1)[C@]1(O)CCOC1	825769872	GKOZRMKJXTVVRJ-FQEVSTJZSA-N	361.486	2.264	10	10	FECE	
CC[C@@H](NC(=O)NC1CCN(c2ccc(OC)cc2)CC1)[C@@H](O)C(F)F	838191058	PYJPGJRMWGLNTF-HZPDHXFCSA-N	371.428	2.368	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC2(CCNC(=O)O2)CC1	919081650	LOPGNKOKEMCEOI-UHFFFAOYSA-N	360.458	2.235	10	10	FECE	
CC[C@@H](C)NC(=O)CN1CCN(Cc2c(O)cc(C)cc2Cl)CC1	840909994	JHRWJSYEMAMEST-CQSZACIVSA-N	353.894	2.386	10	10	FECE	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccnn2CC2CCC2)c1	914154124	UZXLTUGPRGNFKI-LBPRGKRZSA-N	365.455	2.437	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@H](C1CCOCC1)C1CC1)c1ccc(N(C)C)cc1	846735335	QDUTYBXDMTUFSE-LIRRHRJNSA-N	373.497	2.251	10	10	FECE	
Cc1cc(O)c(CN2CCC(C(=O)N3CCN(C)CC3)CC2)c(Cl)c1	840946300	NRUVPPFKQAOSJA-UHFFFAOYSA-N	365.905	2.340	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N[C@H]3C[C@H](C)n4ncnc43)CC2)cc1	852475167	GCBUCOSTUNSWRH-GUYCJALGSA-N	370.457	2.261	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3c4c(nn3C)CCCC4)C2)cc1	855234017	QPJQSMZIPLNZKY-CQSZACIVSA-N	354.454	2.316	10	10	FECE	
C[C@]1(Br)C[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1	862225588	BOIXGALTHOKWDR-RDJZCZTQSA-N	367.287	2.437	10	10	FECE	
C[C@H](O)c1ccc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)nc1	865455637	LAHSSZIIWMHOND-WMLDXEAASA-N	354.454	2.449	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cncc4nc[nH]c34)CC2)cc1F	896904105	VQTVXMNWKSRHLH-UHFFFAOYSA-N	355.373	2.068	10	10	FECE	
COc1nn(C)cc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1	789590051	PRYGMUNMOAFZKB-UHFFFAOYSA-N	371.441	2.173	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)CCC(F)F)CC2)cc1	792863901	VDZPEYGGIWMPJR-UHFFFAOYSA-N	355.429	2.369	10	10	FECE	
CC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCCOC1	897485994	MSQHRZUJDFQQRE-PKOBYXMFSA-N	373.497	2.224	10	10	FECE	
C[C@H]1CS(=O)(=O)C[C@H]1NCc1cc(Cl)cc(Br)c1O	711667133	WNJGGICGVDDSIQ-WRWORJQWSA-N	368.680	2.331	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1cccnc1F	793201398	GZBCQLDSKDLXAF-UHFFFAOYSA-N	358.417	2.399	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1ccc(S[C@H]2CCOC2=O)cc1	1156885508	HRISAUZDAGCZOM-INIZCTEOSA-N	359.403	2.435	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)NCC2(CN=[N+]=[N-])CC2)C[C@@H]2OCC[C@@H]21	2124504166	WANPTGJIDHTZLT-AVGNSLFASA-N	365.434	2.360	10	10	FECE	
Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)cn1	2124535111	KSALZZRHBZMBCW-OLZOCXBDSA-N	363.422	2.287	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2124512780	NPABPXSFJUNTHW-MCIONIFRSA-N	367.450	2.296	10	10	FECE	
COc1cccc(O)c1CN[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12	2121670625	OLKUZYODVWYRIE-JJRVBVJISA-N	364.442	2.125	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)NC[C@@]1(C)CC1(C)C	1331845152	XVIVZYBNIIOLEB-OAQYLSRUSA-N	373.497	2.034	10	10	FECE	
C[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1cncs1	1332871685	OBBYMYRMSLUKRT-CYBMUJFWSA-N	356.451	2.013	10	10	FECE	
Cc1cc(CC(=O)Nc2[nH]nnc2C(N)=O)c(C)n1-c1ccc(Cl)cc1	1531920964	ROCAIVOLNBQZCB-UHFFFAOYSA-N	372.816	2.146	10	10	FECE	
Cc1ccc(O)c(CNC2(C(N)=O)CCN(C(=O)OC(C)(C)C)CC2)c1	1922662210	XIQJDSDYFCPJIU-UHFFFAOYSA-N	363.458	2.045	10	10	FECE	
CS(=O)(=O)c1cccc(Cl)c1C(=O)NCc1c(O)cccc1O	1472063444	KPDXUFIDSSJILO-UHFFFAOYSA-N	355.799	2.085	10	10	FECE	
CCC/C=C/[C@H](O)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	1543070763	RHKITZCHETVMGL-GHOSXJJBSA-N	363.477	2.301	10	10	FECE	
CSCC[C@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)c1nn[nH]n1	1629932101	XEJCYROMJXHILA-AWEZNQCLSA-N	371.470	2.226	10	10	FECE	
C[C@H]1CN(c2ccc(C(=O)NCc3cc(O)ccc3O)cn2)C[C@H](C)O1	1558174747	SURWTWZHBVFZHW-STQMWFEESA-N	357.410	2.036	10	10	FECE	
Cn1nccc1[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCO1	1627723471	LTJYAJKHDSQABX-UKRRQHHQSA-N	356.386	2.233	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cn(C4CC4)c(C)cc3=O)CC2)cc1	1635783410	AUMYNCYTQCUOHW-UHFFFAOYSA-N	367.449	2.463	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(F)cnc1O	1566850117	WSIKWRDYDPJHAA-UHFFFAOYSA-N	368.748	2.101	10	10	FECE	
C[C@H](CCNC(=O)NCc1ccc(N2CCSCC2)cc1)[S@@](C)=O	163630951	MWLORQYGOYMSDU-SHACYNPGSA-N	369.556	2.196	10	10	FECE	
C[C@H](N)c1ccc(N(C)CC2(S(C)(=O)=O)CC2)cc1Br	2167825298	JNTHUASMVPORAI-JTQLQIEISA-N	361.305	2.482	10	10	FECE	
C[C@]1(CNCc2c(O)cccc2Br)CCCS(=O)(=O)C1	2194279404	JVKCDCKATPQRHP-CQSZACIVSA-N	362.289	2.459	10	10	FECE	
CN(C(=O)OC(C)(C)C)C(C)(C)CNS(=O)(=O)Cc1ccc(N)cc1	2044245316	HKXOQOVWWDQCHO-UHFFFAOYSA-N	371.503	2.334	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](NCc2cccc(F)c2O)C1	2052715769	ICJWAGHIICHAAC-ZFWWWQNUSA-N	354.422	2.239	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2060615904	UIZHXPYWSLPXJZ-XQQFMLRXSA-N	353.423	2.048	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1CC(=O)N1CCC[C@H](N=[N+]=[N-])C1	2067687540	ZIQCPCBBPAJLPR-RWMBFGLXSA-N	353.423	2.218	10	10	FECE	
CO[C@@H](C(=O)N(C)CCN=[N+]=[N-])C1CCN(C(=O)OC(C)(C)C)CC1	2067704097	ABBZYJURPFSSMR-CYBMUJFWSA-N	355.439	2.417	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)c1nc(=NCc2ccc(F)cc2O)[nH][nH]1	2084177832	VJPLQDMCRHKQKF-VIFPVBQESA-N	351.382	2.269	10	10	FECE	
COCCN(CCNC(=O)CCc1ccc(N)cc1)C(=O)OC(C)(C)C	2106234060	USAIWOLZAUJHON-UHFFFAOYSA-N	365.474	2.201	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NC(=O)COc3ccc(N)cc3)[C@H]21	2106254602	AYSXDIQWETZOLA-PVAVHDDUSA-N	361.442	2.162	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)COc2ccc(N)cc2)C1	2106781477	IHKDGRZHVRKVJA-DZGCQCFKSA-N	363.458	2.409	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNCc2cc(F)cc(F)c2O)C[C@H]1O	2116187935	JFLYDJLEQDAKDN-VCTAVGKDSA-N	372.412	2.424	10	10	FECE	
Nc1cc2c(cc1N1CCC[C@@H](NC(=O)C(F)(F)F)CC1)OCCO2	2270603179	SBGFRZKNZRDQPX-SNVBAGLBSA-N	359.348	2.077	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(C(=O)COc1ccc(N)cc1)C2	2272636395	KYXRBPGAMNPWFW-BFUOFWGJSA-N	361.442	2.021	10	10	FECE	
COc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(OC)c1O	2296685221	MOHSTXXHCFRVMG-UHFFFAOYSA-N	374.393	2.204	10	10	FECE	
Cc1cc(C=CC(=O)N[C@H]2CCC(=O)NC2=O)c(C)n1-c1ccccc1	2302473359	OOSDZUSIAQINQM-KRWDZBQOSA-N	351.406	2.029	10	10	FECE	
CN(Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)C2)S(=O)(=O)C1CC1	2301549293	SSFDFNIHVROTLS-UHFFFAOYSA-N	374.488	2.145	10	10	FECE	
C[C@@H](NC[C@@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1cc(O)ccc1O	2330274043	OVVGOXRQMLYESA-DJZPMSPPSA-N	366.458	2.413	10	10	FECE	
COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCC(=O)O	210447471	CNRWCYYOEZNDDB-WQLSENKSSA-N	353.421	2.380	10	10	FECE	
C[C@H](CCN1CCN(C)CC1)N[C@H](C)c1ccc(N2CCC(O)CC2)cc1	186588581	GUMZPJJRBCSHLM-RTBURBONSA-N	374.573	2.324	10	10	FECE	
CCN1CCC(CCNC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1	805741872	UVINZSXUDBADAB-INIZCTEOSA-N	374.529	2.168	10	10	FECE	
COc1ccc(N2CC[C@@H](NCc3ccc4c(c3)NC(=O)CO4)C2)cc1	826845085	DZIIJVIRIDFKTK-OAHLLOKOSA-N	353.422	2.395	10	10	FECE	
Cc1cc(CC(=O)N[C@@H](C)CN2CCOCC2)c(C)n1-c1ccccc1	822108303	CRUXVSBJDAMRQT-INIZCTEOSA-N	355.482	2.474	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)c1	848557141	FMUHWYCBUVZZNW-XQLPTFJDSA-N	350.459	2.327	10	10	FECE	
CCOC(=O)[C@@H](N)c1cc(Br)cc(Br)c1O	687815204	KOOMGAVMEKCDML-QMMMGPOBSA-N	353.010	2.480	10	10	FECE	
O=C(NCc1c(O)cccc1F)[C@@H]1CCCN1C(=O)Cc1ccccc1	928710289	AKIWXTKOOZKENJ-KRWDZBQOSA-N	356.397	2.381	10	10	FECE	
CCN(Cc1cn(C)nn1)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	840482430	XDQYTBJLORUYIQ-HNNXBMFYSA-N	358.490	2.352	10	10	FECE	
C[C@@H](c1ccc(N2CCOCC2)cc1)N1C(=O)N2CCC[C@@H]3C[C@@]32C1=O	924534634	RPDKOFBQZQNZFE-NBQZKYEYSA-N	355.438	2.401	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCCC3CCN(C)CC3)C2)cc1	852189089	VVGYOHCLJSAHSJ-KRWDZBQOSA-N	360.502	2.305	10	10	FECE	
CCOc1cncc(CNCCN2CCN(c3ccc(OC)cc3)CC2)c1	856766958	FGSBMUUWBRIXFG-UHFFFAOYSA-N	370.497	2.401	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCC[C@H]([C@]3(C)COC(=O)N3)C2)c1O	932024185	GIUBAKFZCDFPAH-UGSOOPFHSA-N	350.390	2.444	10	10	FECE	
CNS(=O)(=O)C[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1	862551012	JEUQDXZSFKWWPG-SNVBAGLBSA-N	367.298	2.460	10	10	FECE	
O=S(=O)(c1ccc(N2Cc3cccc(O)c3C2)nc1)N1CCCCC1	866119140	MMVWSZGBUOLDGO-UHFFFAOYSA-N	359.451	2.482	10	10	FECE	
COc1cncc(CNCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1C	865424026	SICLUEIJAPBHCV-QGZVFWFLSA-N	368.481	2.390	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3C4CCC3(CO)CC4)C2)cc1	1119614772	KNHHEYILEWCIJK-FVWXCPNNSA-N	359.470	2.220	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2cncc(N3CCCC3=O)c2)cc1F	1118905914	PIMKLEOUAYTYEH-UHFFFAOYSA-N	356.401	2.344	10	10	FECE	
O=C1O[C@@H]2CNC[C@@H]2N1C1CCN(Cc2ccc(N3CCCC3)cc2)CC1	1118899874	FKJIZOWQBDGAIM-VQTJNVASSA-N	370.497	2.044	10	10	FECE	
CC(C)n1ncc2cc(/C=C\C(=O)NCc3ccc(O)c(O)c3)c(=O)[nH]c21	778918378	PLWUVRPVECMNOO-XQRVVYSFSA-N	368.393	2.046	10	10	FECE	
Cc1ccc(S(=O)(=O)NCc2ccc(N3CCC(CO)CC3)cc2)o1	773303110	ROASKORSUWRQTM-UHFFFAOYSA-N	364.467	2.275	10	10	FECE	
CC[C@H](Cn1cncn1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	788692821	QYGSJRQLFYLOMN-HXUWFJFHSA-N	368.529	2.379	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc([N+](=O)[O-])cnc1N	1135800382	DUXGJFPOGXWJQZ-UHFFFAOYSA-N	355.398	2.444	10	10	FECE	
COC(=O)[C@@H]1CSCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1	897985168	GUNURCVIYCNZLO-JTQLQIEISA-N	367.448	2.291	10	10	FECE	
C[C@H](NC[C@@H]1COCCN1C(=O)OC(C)(C)C)c1cc(O)ccc1O	394143659	YGBZSALNUIKGTJ-QWHCGFSZSA-N	352.431	2.384	10	10	FECE	
COc1cc(NS(=O)(=O)c2cc(C(=O)O)c(C)cc2F)ccc1O	797819285	DDKZGDHKDZVRQS-UHFFFAOYSA-N	355.343	2.347	10	10	FECE	
CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1	1159132765	NSVOFVZKQHMCED-CQSZACIVSA-N	357.414	2.226	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NCc2c(O)cccc2O)C1	1304053491	MIPSUYXWSBCODB-LBPRGKRZSA-N	350.415	2.361	10	10	FECE	
C[C@H](NC(=O)N[C@@H](C)c1ccccc1O)c1ccc(S(N)(=O)=O)cc1	1313356618	UOOMFFWCUGEBFR-RYUDHWBXSA-N	363.439	2.161	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)Nc2ccc(N)cc2)C[C@H]1O	2116204456	BSTVYTRYAYKGNN-KCPJHIHWSA-N	364.446	2.055	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COCC[C@@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2124531011	AKDAGBLEDUTHNZ-KBPBESRZSA-N	367.450	2.465	10	10	FECE	
CN1CCc2cc([C@H](N)c3nn(C)cc3I)ccc21	2121159862	NXMYGDGHTCMENW-ZDUSSCGKSA-N	368.222	2.065	10	10	FECE	
C[C@@H](NC(=O)C(=O)NC[C@H]1CCC2(CCC2)O1)c1ccc(N(C)C)cc1	1334514666	MWZQZPPDTRGXBB-RHSMWYFYSA-N	359.470	2.148	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NC/C=C\c2ccccc2)cc1F	1333932512	GJEIFVSROHBCHB-TWGQIWQCSA-N	355.413	2.338	10	10	FECE	
CC(C)[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1	1341061076	XMBDCSSATUUFKK-FUHWJXTLSA-N	373.497	2.205	10	10	FECE	
COCC1(NCc2ccc3c(c2)CCN3C)CN(C(=O)OC(C)(C)C)C1	2134143894	HCERDECKGRYFOK-UHFFFAOYSA-N	361.486	2.404	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)c1	1638608445	WNWPMTZEXRIESC-NVXWUHKLSA-N	364.398	2.131	10	10	FECE	
CC(C)C[C@@H](CO)N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1565452658	IRTZWORUWCGYKV-RBUKOAKNSA-N	364.534	2.404	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3Cc4ccccc4CO3)nc12	1654574939	KSCKTARDOSCATE-UHFFFAOYSA-N	354.366	2.059	10	10	FECE	
CO[C@H](C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C(=O)OC(C)(C)C	1597800916	SGYFCYJBGDBQOZ-RHSMWYFYSA-N	364.486	2.465	10	10	FECE	
O=C(CCn1c2c(c3ccccc31)CCCC2)NCCN1CCOCC1	1850193582	AEUGOWMBBBZTTK-UHFFFAOYSA-N	355.482	2.359	10	10	FECE	
COC(=O)[C@H](O)CNC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C	155369756	RSRMUQDKCUYFHN-GOSISDBHSA-N	358.438	2.481	10	10	FECE	
CN(C)c1ccc([C@@H](NC(=O)c2ccc(O)nc2)c2nccn2C)cc1	1865973750	DNKFHYRTPFHHRO-QGZVFWFLSA-N	351.410	2.106	10	10	FECE	
CC1(C)[C@@H](CNCc2cccc(Br)c2O)CCS1(=O)=O	1967858930	YILMELBHQYFGJV-LLVKDONJSA-N	362.289	2.458	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(NCc3ccc(F)cc3O)(CO1)C2	1967864316	DHEHYJMYPRJMEH-UHFFFAOYSA-N	352.406	2.447	10	10	FECE	
COC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1ccccc1O	1968793182	VTQHJQPDUZNMPV-OCCSQVGLSA-N	352.431	2.451	10	10	FECE	
CC(C)(C)OC(=O)N1CCSC[C@@H](C(=O)N2CC[C@H](N=[N+]=[N-])C2)C1	2010401017	ADCYSNHDAVFPSC-RYUDHWBXSA-N	355.464	2.498	10	10	FECE	
NCCCN(Cc1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	388101029	PUJZCVXLGBJAFN-UHFFFAOYSA-N	356.382	2.281	10	10	FECE	
C[C@H](CCNS(=O)(=O)Cc1ccc(N)cc1)N(C)C(=O)OC(C)(C)C	2044238503	IYPLGCOWPVFJLY-CYBMUJFWSA-N	371.503	2.334	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(Cc2cc(N)ccc2O)CCO1	2044613967	HSKSRDNOFYGUMS-BLLLJJGKSA-N	351.447	2.088	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1	2060635635	NPUDERJYMROKGK-LBPRGKRZSA-N	353.423	2.171	10	10	FECE	
CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(CCOc2ccc(N)cc2)C1	2106737543	NVUUPTABBFREQG-NVXWUHKLSA-N	365.474	2.262	10	10	FECE	
C[C@H](NCCn1cc(I)cn1)c1ccc(O)cc1O	2097157065	AHCWDUAXDMJHGY-VIFPVBQESA-N	373.194	2.250	10	10	FECE	
COCC1(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CC(NC(=O)OC(C)(C)C)C1	2225149861	SPQOVVTUGSFPII-POZPTJLLSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ccc4c(c3)COCC4)C[C@H]2[C@@H]1CO	2235546202	HGKNNRPZYPYLBI-UHOSZYNNSA-N	374.481	2.423	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C(=O)NCCCN=[N+]=[N-])O[C@@H]2C1	2260809147	WPONSGJVFBUWIW-YNEHKIRRSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2264513573	QIURGWFVFIXUIQ-MJBXVCDLSA-N	367.450	2.438	10	10	FECE	
CCOC(=O)C[C@@H](C)N(C)C(=O)C=Cc1ccc(N2CCOCC2)cc1	2308336926	COFVJBXOLPLMNI-MRXNPFEDSA-N	360.454	2.337	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@@]1(C)COC(=O)N1	1951832720	IDKQDEVLTPBBAA-CXAGYDPISA-N	352.387	2.032	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1C[C@H]2OCCC[C@H]12	187914191	HBRGXCUCLHRQMB-GUDVDZBRSA-N	359.470	2.232	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@H](CO)c1ccccc1	127279214	ZGIWWRQPARKWNB-OJLWIZQOSA-N	366.461	2.429	10	10	FECE	
CN1CCCC[C@@H]1CN1CCN(Cc2ccc(N3CCOCC3)cc2)CC1	93147325	YSWWXSFIFAVUAH-JOCHJYFZSA-N	372.557	2.125	10	10	FECE	
CN1C(=O)CN(Cc2ccc(N3CCOCC3)cc2)[C@@H]1c1ccccc1	813331967	SJFVVZURWSUHJU-OAQYLSRUSA-N	351.450	2.496	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)NCc3ccc(C)s3)C2)cc1	826868300	PVDRRWINLGMXEA-AWEZNQCLSA-N	373.478	2.076	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1	822004402	BZSUEGNNFGAEDA-GOEBONIOSA-N	367.515	2.250	10	10	FECE	
COc1ccc(CNC(=O)Nc2ccc3c(c2)CCN(C)C3=O)c(O)c1	825037577	FLEJDPYYXHRBGD-UHFFFAOYSA-N	355.394	2.351	10	10	FECE	
Nc1ccc(CC(=O)N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1	832144636	ITDPIVIIHLGUCT-QGZVFWFLSA-N	365.412	2.340	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N(C)c2ccc(OC)c(OC)c2)c1	731980399	YYPZITQGPHYBMK-VMPITWQZSA-N	355.394	2.135	10	10	FECE	
C[C@H](C(=O)NC1CC1)N1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1	835026359	VPRNQUXJIMUZKQ-VGOKWCNXSA-N	356.514	2.051	10	10	FECE	
C[C@@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)C1CCCCC1	837466667	WCXGAMWYEHXKCT-LLVKDONJSA-N	369.439	2.458	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCc3ccc(N(C)C)cc3)CC2)nc1	836247118	PTQVCDGJCSZICN-UHFFFAOYSA-N	369.469	2.188	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](O)c3ccccc3OC)C2)cc1	911277038	RKPHDHFWMCEBMY-YWZLYKJASA-N	370.449	2.380	10	10	FECE	
C[C@@]1(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCCCO1	914241626	PHYKBMSVBAUUEW-IBGZPJMESA-N	365.449	2.421	10	10	FECE	
COc1ccc(N2CC[C@H](N3C(=O)N[C@H](CC4(OC)CCC4)C3=O)C2)cc1	849358444	WEUGSZHCUFXOBV-DOTOQJQBSA-N	373.453	2.154	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCCCCN(C)C3CC3)C2)cc1	852379489	QXZURIRUUVJLSE-MRXNPFEDSA-N	360.502	2.448	10	10	FECE	
C[C@@]1(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCCCO1	923337607	RKVMWYAECUHNGO-FQEVSTJZSA-N	361.486	2.406	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cnn(-c4ccncc4)c3)C2)cc1	855225335	KDKSCNNKYCQKAJ-INIZCTEOSA-N	363.421	2.285	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CN3CCCCCCC3=O)C2)cc1	855233413	YFELTKYLECEIBG-MRXNPFEDSA-N	359.470	2.183	10	10	FECE	
COc1ccc(O)c([C@@H](C)N[C@@H](CC(C)C)C(=O)NCCN(C)C)c1	756857483	KBQVGZCXUKRNGE-PBHICJAKSA-N	351.491	2.144	10	10	FECE	
COC(=O)N(C)CCN(C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	852384309	BLFKGPADEITIGF-HNNXBMFYSA-N	364.490	2.332	10	10	FECE	
Oc1ncnc2c(NCc3ccc(N4CCC(O)CC4)cc3)nccc12	853956494	BZQIOFQDQJTRQL-UHFFFAOYSA-N	351.410	2.304	10	10	FECE	
C[C@H](NC(=O)NC(c1nccn1C)c1nccn1C)c1ccccc1O	868802502	CKAXPSWAHIDOCC-LBPRGKRZSA-N	354.414	2.009	10	10	FECE	
O=C(NCc1ccc(Cn2ccccc2=O)cc1)c1c(F)ccc(O)c1O	789962981	DPSXSOHEHFJEON-UHFFFAOYSA-N	368.364	2.377	10	10	FECE	
COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1	891249692	SBLAXBPKRCATKG-JZXOWHBKSA-N	361.486	2.061	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N1C[C@H](O)CC(F)(F)C1	786711851	NPOUQUVWRSDSTI-OAHLLOKOSA-N	371.453	2.151	10	10	FECE	
O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1CCCN(Cc2cc(F)cc(F)c2O)C1	895472602	DQDRSRPONHRZSU-KCXAZCMYSA-N	368.424	2.302	10	10	FECE	
CC1(C)CO[C@H](CCNC(=O)C(=O)NCCCSc2nccs2)C1	897731348	ZNBBHBVJGVEWJG-GFCCVEGCSA-N	371.528	2.063	10	10	FECE	
CNC(=O)C1(NCc2cc(OC)cc(C(C)(C)C)c2O)CCOCC1	895883546	DLJHBFLUOSZZSH-UHFFFAOYSA-N	350.459	2.083	10	10	FECE	
Cc1cc(C(=O)N2CC[C@H]3COC(=O)N[C@@H]3C2)c(C)n1-c1ccccn1	1144927451	VIYWSFXXOSOYDO-GOEBONIOSA-N	354.410	2.060	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCN(c3ncccc3F)C2)cc1	1149777854	ZXDGYGSEPYWDDI-ZDUSSCGKSA-N	356.361	2.392	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)Nc3cn(C)nc3C(N)=O)c2C)cc1	1305699763	YOSPIIIZIQYYMQ-UHFFFAOYSA-N	367.409	2.187	10	10	FECE	
CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2124517299	JOIWFIWJBQEOGP-QWHCGFSZSA-N	367.450	2.465	10	10	FECE	
COC[C@@]1(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CCN(C(=O)OC(C)(C)C)C1	2124503042	GRBJDXXPTGJYFS-SUMWQHHRSA-N	367.450	2.419	10	10	FECE	
CO[C@]1(CNC(=O)OC(C)(C)C)C[C@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1	2124537773	BNFQBONHHBIYMQ-XNJGSVPQSA-N	367.450	2.465	10	10	FECE	
C[C@@H]1C[C@H]2CC[C@H](C(=O)NCc3ccc(N4CCC(O)CC4)cc3)CN2C1	1352444375	VQMWIEVSIGGQJV-IMFGXOCKSA-N	371.525	2.384	10	10	FECE	
COc1ccc(C2(C(=O)NCc3cccc(O)c3O)CCOCC2)cc1	1352658402	UMKCYUOJDBWYIG-UHFFFAOYSA-N	357.406	2.471	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@]1(C)COCCN1C(=O)OC(C)(C)C	2136513654	YHYOONHZPKCFQA-IBGZPJMESA-N	364.442	2.377	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCCCC(=O)N1Cc2ccccc2C1	1543763732	QYNOXHIKQREOTP-UHFFFAOYSA-N	354.406	2.079	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1	1622664294	OIWZUNLVIYPYHD-UHFFFAOYSA-N	372.312	2.261	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1c[nH]nc1-c1ccc2c(c1)OCCO2	1557084838	QGZKDCGKQIVJDF-UHFFFAOYSA-N	367.361	2.189	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc2cc[nH]c2n1	1639587867	JFKNEVIUUZOPAG-UHFFFAOYSA-N	353.378	2.474	10	10	FECE	
C[C@H](NC(=O)c1cc2c(=O)n3ccccc3nc2n1C)c1ccccc1O	1643745723	WSFKCJZXHZNHKI-LBPRGKRZSA-N	362.389	2.383	10	10	FECE	
COC(=O)[C@@H](C)N1C(=O)/C(=C\c2ccc(OC)c(O)c2)SC1=S	6098114	UJISQKAPJLWANG-LQGZHCLWSA-N	353.421	2.164	10	10	FECE	
CN1C[C@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CCC1=O	162851404	RXRSSYYDIZJSEG-QGZVFWFLSA-N	358.486	2.439	10	10	FECE	
OC[C@@H]1COCC[C@@H]1NCc1cc(Cl)cc(Br)c1O	1878774526	LCCCPIMFFVJIET-SKDRFNHKSA-N	350.640	2.295	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)C1(NC(=O)OC(C)(C)C)CC(O)C1	1878970203	GBYFZOUHOWVSMC-BYKITBGFSA-N	364.442	2.330	10	10	FECE	
CN(C)c1ccc([C@@H](CN)N2C[C@@H]3[C@H](C2)[C@@H]3NC(=O)OC(C)(C)C)cc1	1882159177	KJTLMYIYPIJTSP-XMTFNYHQSA-N	360.502	2.207	10	10	FECE	
C[C@H](N)c1ccc(N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c(Br)c1	2145072516	KJXCNOGDGYVDJW-NURSFMCSSA-N	359.289	2.092	10	10	FECE	
C[C@H](N)c1ccc(N2C[C@H]3CCS(=O)(=O)[C@H]3C2)cc1Br	2145071363	GOAHZDRWWLJTIT-RBZYPMLTSA-N	359.289	2.092	10	10	FECE	
CCN(C[C@H](C)NC(=O)OC(C)(C)C)C(=O)COc1ccc(N)cc1	2044642714	WROTWRWFHQULRX-ZDUSSCGKSA-N	351.447	2.409	10	10	FECE	
C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(O)c(O)c1	2054397636	JZXAGJHFESPBCI-WCQYABFASA-N	350.415	2.473	10	10	FECE	
CN(Cc1ccc(N)cc1)Cc1nn(C)cc1I	2057482704	BOQNKXBUVUUZEU-UHFFFAOYSA-N	356.211	2.239	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(C)C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2060634090	VHZOPSDIFRHTND-HWWQOWPSSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)NCC2(CN=[N+]=[N-])CC2)C1	2060610968	NVVYTDSJKLOIFV-OAHLLOKOSA-N	353.423	2.219	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2060614656	FSQYRHFTXGUXTA-NWDGAFQWSA-N	353.423	2.123	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](CC(=O)N2CC(N=[N+]=[N-])C2)OCC12CC2	2065410119	YPBXBMUKHYRJMN-LBPRGKRZSA-N	351.407	2.066	10	10	FECE	
CN(c1cc2c(cc1N)OCCO2)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21	2106835088	ANIZGYPKLYEQEU-PBKGOJFUSA-N	361.442	2.342	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CC([C@@H](F)CO)C3)ccc(N)c2C1	2110594674	KIPHNPHJTJGWOP-HNNXBMFYSA-N	365.449	2.329	10	10	FECE	
O=C(O)[C@H]1C[C@@H](O)CN(Cc2cc(Cl)cc(Br)c2O)C1	2201044308	MCYLDBQVXFHWFA-WCBMZHEXSA-N	364.623	2.076	10	10	FECE	
CSc1ncc(CNC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)s1	2208604582	CMZALOGMYRONEZ-HNNXBMFYSA-N	359.517	2.327	10	10	FECE	
Oc1c(F)cccc1CNCCn1cnc(I)c1	2221408475	PXCPZAKCUXGGBC-UHFFFAOYSA-N	361.158	2.122	10	10	FECE	
Cc1nc(S(=O)(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])c(Br)n1C	2234175319	BFSLPENXVYPUNI-JGVFFNPUSA-N	363.241	2.001	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1	2278889213	ZZUORGLNBBALKE-IGCXYCKISA-N	365.434	2.171	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)NCCCN=[N+]=[N-])C[C@H]2OCCC[C@@H]21	2260007437	ZHPAEXUXRIWLLS-HWWQOWPSSA-N	353.423	2.265	10	10	FECE	
CCn1nc(C)c(N/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1C	59858299	WBGPZMABIDQRSQ-GDNBJRDFSA-N	367.409	2.407	10	10	FECE	
O=C1C[C@H]([C@@H]2CCCCN2C(=O)NCc2ccc(N3CC=CC3)cc2)CN1	121996981	WEUMMYFVTJDHHB-HKUYNNGSSA-N	368.481	2.263	10	10	FECE	
CN(C)c1ccc(CNC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)cc1F	73915420	KSKWLLICQWIMSQ-HNNXBMFYSA-N	374.464	2.093	10	10	FECE	
C[S@@](=O)c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1	192723020	VVFBLBZJDIKJML-OAQYLSRUSA-N	353.450	2.230	10	10	FECE	
CN(C)c1ccc(CN(CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1F	131045379	SRSMNNBFRRYJDW-KRWDZBQOSA-N	363.477	2.495	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NCc1cccc(F)c1O	381106590	SHNGGLDTGXQQOT-ADSMDIBLSA-N	352.406	2.302	10	10	FECE	
CN[C@@H]1C(=O)Nc2cc(N3CCCO[C@H](C)C3)c(Br)cc21	92775802	ATZHQZYKJYWSNU-OTYXRUKQSA-N	354.248	2.277	10	10	FECE	
Cc1cc(/C=C\C(=O)N[C@@H]2CCN(C(N)=O)C2)c(C)n1-c1ccccc1	255078125	GGLUPTGHQPXERK-XZVRFQMRSA-N	352.438	2.377	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCCOC3)cc2F)C[C@@H](C)O1	264358566	HDDLXPRAHQHBPB-IIAWOOMASA-N	365.449	2.418	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CCCOCC1	373263778	LGYSAPINSBWMBB-LBPRGKRZSA-N	355.818	2.364	10	10	FECE	
C[C@H](N[C@@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1	284546013	XSQIGDRBRZSNFX-ZSZQSSIHSA-N	368.493	2.471	10	10	FECE	
CN(C(=O)OC(C)(C)C)C1CN(C(=O)c2ccn(-c3ccc(N)cc3)n2)C1	2162971137	AQQAEVJFGZMUGX-UHFFFAOYSA-N	371.441	2.146	10	10	FECE	
COC(=O)c1coc(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)c1	819588476	MTGZGYNFKONSNF-CYBMUJFWSA-N	358.394	2.331	10	10	FECE	
Cc1cc(C(=O)CN2C[C@@H]3CNC[C@@H]3C2)c(C)n1-c1ccc2c(c1)OCO2	728914300	PUKHKJHJKIANMY-IYBDPMFKSA-N	367.449	2.157	10	10	FECE	
C[C@@H](NC(=O)N1CC[C@@H](Nc2ncccn2)C1)c1ccc(N(C)C)cc1	826532873	YSCXOJGDXVLBEA-GDBMZVCRSA-N	354.458	2.500	10	10	FECE	
C[C@H]1COCC[C@H]1NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	838571195	KKCUAHNHYLCCOJ-BLLLJJGKSA-N	369.412	2.026	10	10	FECE	
C[C@@H]1CO[C@H](c2ccccc2)CN1Cc1cc(O)n2ncc(C(=O)O)c2n1	737758434	QFKGBLFYJZANEC-WBMJQRKESA-N	368.393	2.095	10	10	FECE	
CCN(CC)c1ccc(CN(C)c2nnc(-c3nnn(C)c3C)n2C)cc1	834915873	PAAIAOIFESXJQX-UHFFFAOYSA-N	368.489	2.402	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)CCC3=O)cc1	835032984	NFZNLHICYDDKSH-UHFFFAOYSA-N	351.406	2.136	10	10	FECE	
Nc1ccc(CCNC(=O)N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cc1	841955423	BORLICOXUIOERU-AZUAARDMSA-N	357.429	2.321	10	10	FECE	
Cc1cc(CCNC(=O)NCC[C@]2(O)CCOC2)c(C)n1-c1ccccc1	844867528	KHKGBUZYRVHXKA-NRFANRHFSA-N	371.481	2.477	10	10	FECE	
CN1CC[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H](c2cnn(C)c2)C1	849486618	LHBXMEZXMOQTPI-VQTJNVASSA-N	369.513	2.180	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)Nc2cnc(N(C)C)nc2)cc1	844572166	NJXGFBJMARBZAM-UHFFFAOYSA-N	358.446	2.151	10	10	FECE	
O=C(C(=O)N(Cc1ccccc1O)C1CCCCC1)N1CCC2(COC2)C1	850595856	GSXPKFOTOBKARW-UHFFFAOYSA-N	372.465	2.302	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@H](C3CCOCC3)C2)cc1	929238616	QHEWARXAFLACPW-SFHVURJKSA-N	373.497	2.034	10	10	FECE	
O=C(C[C@@H]1NCc2ccccc21)NCc1ccc(N2CCOCC2)cc1	852793869	ICLIMYNLRPDGFZ-FQEVSTJZSA-N	351.450	2.374	10	10	FECE	
COc1ccc(N2CCN(C(=O)COC(=O)C3[C@@H]4CCCC[C@@H]34)CC2)cc1	750914630	SLQXKGYFLVWBPJ-QZTJIDSGSA-N	372.465	2.323	10	10	FECE	
C[C@@H](N[C@H](CO)c1ccnn1C)c1ccc(N2CCOCC2)cc1Cl	858434863	RKEGXKAHIOBWPI-CXAGYDPISA-N	364.877	2.294	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](c3cccnc3)C3CC3)nc12	753914623	QMYRZNVASBXHIZ-QGZVFWFLSA-N	367.409	2.248	10	10	FECE	
CCO[C@@]1(C)C[C@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	858783691	AHXLIRBRRRPDLF-QUCCMNQESA-N	361.486	2.262	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C3CC3)C(C)(C)CO)C2)cc1	854297773	WROJBJUCHQXJGT-CRAIPNDOSA-N	361.486	2.370	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN3C[C@@H]4CCCC[C@H]4C3)CC2)cc1	754049851	FZMLVVFLNJTJBP-ZJOUEHCJSA-N	373.541	2.300	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)c1cncc(N2CCOCC2)c1	862027584	XRHRGFDGXNEFNP-UHFFFAOYSA-N	364.405	2.102	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cn(C[C@H]2CCOC2)nn1	862002246	OYFSGHAPGIQFJS-HZPDHXFCSA-N	371.485	2.050	10	10	FECE	
C[C@H](NC(=O)NCc1ccnc(-n2cncn2)c1)c1ccc(N(C)C)cc1	868515642	ONEFBGUOBODCHP-AWEZNQCLSA-N	365.441	2.289	10	10	FECE	
CCn1nccc1C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	773099857	CPIXRJQNNILSKJ-UHFFFAOYSA-N	367.497	2.365	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCC[C@H]3CCOC3)CC2)cc1F	784540304	DXMGWRYCJJZTOW-AWEZNQCLSA-N	351.422	2.093	10	10	FECE	
COC(=O)c1oc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1C	1134686324	HKRQYGRUNSLJIC-INIZCTEOSA-N	373.453	2.473	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H]3CCCc4n[nH]cc43)cc2)C1	796700138	CPZUGPLOTYGSJI-CRAIPNDOSA-N	353.470	2.279	10	10	FECE	
COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)cc1F	797819941	XWACVTDGKRZHIV-UHFFFAOYSA-N	355.343	2.127	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1(C)C	1142722516	FOELRRUEAWBPIV-GJZGRUSLSA-N	364.442	2.448	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1ccc(S(=O)(=O)C2CCC2)cc1	1153885855	PZOCZQAPJNSRGJ-UHFFFAOYSA-N	361.419	2.354	10	10	FECE	
Nc1cccnc1C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	1151082333	JYZYALPSAACKNA-UHFFFAOYSA-N	365.481	2.126	10	10	FECE	
O=C(N[C@@H](c1ccccc1)c1nn[nH]n1)c1cc2cc(O)c(O)cc2s1	1168691976	BZGRNZPUDNEAGM-HNNXBMFYSA-N	367.390	2.345	10	10	FECE	
CN(C)c1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)cc1	2116270981	UGVNAVNGNCNFNZ-FUHWJXTLSA-N	363.502	2.460	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2124508175	NPABPXSFJUNTHW-MGPQQGTHSA-N	367.450	2.296	10	10	FECE	
CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2124517721	ONSCJGNGLXDKRY-BFHYXJOUSA-N	367.450	2.417	10	10	FECE	
CN1CCC(CC(=O)N2CC[C@H](N=[N+]=[N-])C2)(NC(=O)OC(C)(C)C)CC1	2124509853	YQPGLPUBCWXQDV-ZDUSSCGKSA-N	366.466	2.277	10	10	FECE	
CO[C@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1	1326499415	RAHGMMCQCQTPOB-MJGOQNOKSA-N	373.497	2.223	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC[C@]1(C)CC1(F)F	1330498622	DGDWOYNHMZFKOR-QGZVFWFLSA-N	353.413	2.229	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc(S(N)(=O)=O)sc1C	1346445540	NAMZNUXHNXKOPM-UHFFFAOYSA-N	367.496	2.008	10	10	FECE	
COC(=O)CN(C)CCNC(=O)c1cc(C)ccc1-n1c(C)ccc1C	1545828975	KMWARLHCBQRDEJ-UHFFFAOYSA-N	357.454	2.237	10	10	FECE	
CNS(=O)(=O)c1ccc(C)c(C(=O)NCc2cccc(Cl)c2O)c1	1637227277	UWKYYQKQIZTYOD-UHFFFAOYSA-N	368.842	2.192	10	10	FECE	
O=C(NCc1cccc(Cl)c1O)c1c[nH]n2c1nc(=O)c1ccccc12	1637227167	PYJGQRYQBZCNIT-UHFFFAOYSA-N	368.780	2.465	10	10	FECE	
Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)N[C@@H](C)c1ccccc1O	1632250468	UMMSICOPRZSTSH-LBPRGKRZSA-N	364.405	2.266	10	10	FECE	
C[C@@H](CCN(C)C)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	1638688207	CUZCCBJNMBPIER-ZDUSSCGKSA-N	355.429	2.005	10	10	FECE	
C[C@@H](C(=O)NCc1c(O)cccc1O)N1CCN(c2ccc(F)cc2)CC1	1645361127	XNMZJDOPUWLKFG-AWEZNQCLSA-N	373.428	2.064	10	10	FECE	
C[C@@H](N)c1ccc(N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1Br	2145071361	GOAHZDRWWLJTIT-ISTVAULSSA-N	359.289	2.092	10	10	FECE	
COc1cccc(CN[C@@H]2COC[C@H]2CNC(=O)OC(C)(C)C)c1O	2036599860	QHLBFHHKDSKWPO-ZIAGYGMSSA-N	352.431	2.030	10	10	FECE	
COc1ccc(O)c([C@H](C)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1	2062450587	HXUFHDNUEJHRDN-HZUKXOBISA-N	352.431	2.032	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1	2073948253	ZMOCQHLUYKTGHW-YNEHKIRRSA-N	353.423	2.218	10	10	FECE	
C[C@@H]1CN(C(=O)COc2ccc(N)cc2)CCN(C(=O)OC(C)(C)C)C1	2106695292	WRDKEPBQEQWMHP-CQSZACIVSA-N	363.458	2.363	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](NCc2cccc(O)c2O)C[C@@]12CCOC2	2098976739	RNHNBVMHGQRNCS-AUUYWEPGSA-N	364.442	2.356	10	10	FECE	
COCCCN1C(=O)C(=Cc2cccc(OC)c2O)C(C(=O)OC)=C1C	2294082149	IKOMBYHMIVFOJJ-UHFFFAOYSA-N	361.394	2.110	10	10	FECE	
COc1cc(C)c(C=C2C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC	2297506906	MUIQLMHKYMTGGE-UHFFFAOYSA-N	358.394	2.417	10	10	FECE	
CCCCCN(CC(N)=O)C(=O)C=Cc1ccc(N2CCOCC2)cc1	2308082013	IFYACEXUXILQHW-UHFFFAOYSA-N	359.470	2.041	10	10	FECE	
Cc1nn(-c2ccccc2)c(O)c1C=C1C(=O)NN(c2ccccc2)C1=O	2313518349	TZHJJOLHWDBFGX-UHFFFAOYSA-N	360.373	2.348	10	10	FECE	
CC(C)(C)OC(=O)N(CCO)CCC(=O)N1CCC(CN=[N+]=[N-])CC1	2319823588	AMXPLMLCPYOTEK-UHFFFAOYSA-N	355.439	2.155	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](CNCc2cccc(F)c2O)N2CC[C@H]1C2	2342844920	BTXYVCMGDGPDQR-GJZGRUSLSA-N	365.449	2.315	10	10	FECE	
Cc1noc([C@H](NCC(=O)N(C)Cc2ccc(N(C)C)cc2)C(C)C)n1	179894880	SMIQHMMVAUEEKS-GOSISDBHSA-N	359.474	2.389	10	10	FECE	
CO[C@H](c1ccc(O)c(O)c1)[C@@H](NC(=O)OCc1ccccc1)C(=O)O	1952305903	FSFZFMLTOQGLCG-HZPDHXFCSA-N	361.350	2.165	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])cnc3C)CC2)cc1	195526553	PPTNXGJDXAGUHT-UHFFFAOYSA-N	356.382	2.269	10	10	FECE	
Cc1cnc(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)cn1	92010876	OGSHSBBPUFYPLR-UHFFFAOYSA-N	365.481	2.247	10	10	FECE	
COC(=O)c1cn([C@H]2CCN(Cc3cc(Cl)cc(C)c3O)C2)nn1	363910285	UYINFAILUHSLNQ-ZDUSSCGKSA-N	350.806	2.179	10	10	FECE	
Cc1ccc(CN(C)S(=O)(=O)c2cn[nH]c2)c(O)c1Br	2381128815	ZZLZPTQPOCTOAW-UHFFFAOYSA-N	360.233	2.007	10	10	FECE	
Cc1cc(Br)cc(CN(C)[C@H]2CCN3CCO[C@H]2C3)c1O	294675424	AVQBZGUTVTXTLG-GJZGRUSLSA-N	355.276	2.368	10	10	FECE	
CC(C)(C)OC(=O)N1Cc2nccn2C[C@H](NCc2ccc(O)cc2O)C1	2163406028	QBHCGJGWZHWHBE-AWEZNQCLSA-N	374.441	2.203	10	10	FECE	
CNC(=O)[C@H]1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1	817160027	PKOFQIIVMVWFFC-KRWDZBQOSA-N	358.486	2.200	10	10	FECE	
CC(=O)C(=O)COC(=O)c1nn(-c2cc(Cl)ccc2F)c2c1CCC2	829522455	IRNXLHPNPJMESU-UHFFFAOYSA-N	364.760	2.468	10	10	FECE	
C/C(=C/C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)CN1CCOCC1	901177830	VZMIUZBZGIIGMA-BLMOFCDVSA-N	374.481	2.178	10	10	FECE	
COc1cc(CNC[C@H](N)c2ccc(N(C)C)cc2)cc2c1OCCO2	841044857	ZLSFOZJQSONIRS-KRWDZBQOSA-N	357.454	2.322	10	10	FECE	
NCC1(CCNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CC1	846348304	RABWVTADHZXYPF-UHFFFAOYSA-N	373.497	2.299	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N(CCO)Cc3ccc(C)o3)C2)cc1	854297439	NQGXTAAAPRCVJP-MRXNPFEDSA-N	373.453	2.379	10	10	FECE	
CC(C)OC[C@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	852784793	RWZDTCOKSDGECK-MOPGFXCFSA-N	363.502	2.013	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccnc(-n4ccnc4)c3)C2)cc1	855229053	HEAAYJTVPUYRFL-INIZCTEOSA-N	363.421	2.285	10	10	FECE	
COC(=O)[C@H](CCF)NC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1	862125438	HOAUIRSCHUEGGH-SFHVURJKSA-N	374.412	2.467	10	10	FECE	
CCS(=O)(=O)C[C@H](C)NCc1c(C(=O)OC)n(C)c2ccc(F)cc12	1119443431	NHHNRSFJKONOMO-NSHDSACASA-N	370.446	2.017	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)nc12	1118465504	JISMJGGWMSLDOX-RTXFEEFZSA-N	359.382	2.091	10	10	FECE	
Cn1ncc(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)c1CNC(=O)OC(C)(C)C	2124503620	NBQBFJQWAVCUFO-LLVKDONJSA-N	363.422	2.217	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H]2CCC[C@@H]21)c1ccc(N2CCOCC2)cc1	1332656451	LCIOHHFVTYXKNB-QNDJGXFYSA-N	371.481	2.005	10	10	FECE	
Nc1ccc(CCNC(=O)C(=O)N[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]32)cc1	1331606212	SPCPRZYTSMWVKS-KBAYOESNSA-N	369.852	2.035	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)COc1ccc(N)cc1	1905376890	IHLNDKKVCZUSEK-VBNZEHGJSA-N	361.442	2.019	10	10	FECE	
CN(C)[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)c1c(F)cccc1F	1293627287	ZEYPNWZMVLTKBZ-AWEZNQCLSA-N	350.365	2.338	10	10	FECE	
CCc1ccccc1N1C[C@@H](C(=O)NCc2cccc(O)c2O)CC1=O	1528771766	XTTRAMXAKLDRLP-HNNXBMFYSA-N	354.406	2.330	10	10	FECE	
Cc1noc(COc2ccc(C(=O)N(C)Cc3ccccc3O)cn2)n1	1294676562	BVLOPFBRIZXZPB-UHFFFAOYSA-N	354.366	2.330	10	10	FECE	
CC(C)(C)C(=O)N1CCO[C@@H](C(=O)NCCCSc2nccs2)C1	1616241106	JLFOEMVYBLYIPD-GFCCVEGCSA-N	371.528	2.015	10	10	FECE	
C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)N1c2ccccc2C[C@@H]1C	1624282356	BMTYRRSBIOOJOI-STQMWFEESA-N	354.406	2.123	10	10	FECE	
COc1cc(N)c(C(=O)NCc2ccc(O)cc2O)cc1Br	1626850161	QDZYVFCBWNINDE-UHFFFAOYSA-N	367.199	2.381	10	10	FECE	
NS(=O)(=O)c1ccc(F)c(C(=O)NCc2c(O)ccc3ccccc23)c1	1635965011	IOOVZIXMYQBCNU-UHFFFAOYSA-N	374.393	2.262	10	10	FECE	
CCNC(=O)N1CCc2ccc(NC(=O)Cc3ccc(O)c(O)c3)cc21	1586694291	KXLCGXIJJGZRMY-UHFFFAOYSA-N	355.394	2.371	10	10	FECE	
C[C@H]1CCCN(C(=O)C2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)C1	1595710261	VDGXWWLIVFUTMW-AWEZNQCLSA-N	360.454	2.137	10	10	FECE	
CCOc1cccc(/C=C2/SC(=S)N([C@@H](C)C(=O)O)C2=O)c1O	1858588456	GTNSKOHWVQQAEM-LBTPYSACSA-N	353.421	2.465	10	10	FECE	
COC1CC(NC(=O)OC(C)(C)C)(C(=O)N(C)Cc2ccccc2O)C1	1964873000	CIMKHOXCLPBFHX-UHFFFAOYSA-N	364.442	2.423	10	10	FECE	
CNCc1ccc(N2C[C@H](C)S(=O)(=O)[C@H](C)C2)c(Br)c1	400899800	LUDSKWDWMHHZKO-PHIMTYICSA-N	361.305	2.180	10	10	FECE	
CCCOc1cc(N(C)C[C@H](O)CNC(=O)OC(C)(C)C)ccc1N	2044632026	ZPPSIQBXCSIAGW-CQSZACIVSA-N	353.463	2.379	10	10	FECE	
CC[C@@H](CN(C)S(=O)(=O)Cc1ccc(N)cc1)NC(=O)OC(C)(C)C	2053096793	BYERCHHSLNRWEK-HNNXBMFYSA-N	371.503	2.334	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2060632879	GZEAGXODTVWIMG-STQMWFEESA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2060639817	MDUFCXVQJXVSBN-STQMWFEESA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C1	2060634210	WSIRWUBUQONQBY-STQMWFEESA-N	353.423	2.314	10	10	FECE	
[N-]=[N+]=NCC1(CNS(=O)(=O)Cc2ncsc2Br)CC1	2226128463	KIQIMSPNXZPQSU-UHFFFAOYSA-N	366.266	2.416	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2OCC[C@]2(C(=O)NCC2(CN=[N+]=[N-])CC2)C1	2278990374	VYDIPPZKOYKIKN-PXAZEXFGSA-N	365.434	2.219	10	10	FECE	
C[C@@H](N[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)c1c(O)cccc1O	2330888546	YUHXTOOGVHDTCV-NFFDBFGFSA-N	364.442	2.383	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C1	2331230472	PANVMNPAEPDXBV-MJBXVCDLSA-N	367.450	2.296	10	10	FECE	
CN1CCc2cc([C@@H](O)c3cc(I)nn3C)ccc21	2335790840	AIEZTFHNKOBTKK-CQSZACIVSA-N	369.206	2.099	10	10	FECE	
CCC[C@H](C(=O)O)N1C(=O)/C(=C2\C(=O)Nc3ccccc32)SC1=S	103039789	MTRYWBAIIMGWGI-PJSNMCHCSA-N	362.432	2.463	10	10	FECE	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O	182550198	UCJVIIINGFMAAB-MRXNPFEDSA-N	354.410	2.124	10	10	FECE	
N[C@@H]1C(=O)Nc2cc(N3CCCCC[C@@H]3CO)c(Br)cc21	226937640	FYICSFNLZMGWDJ-OTYXRUKQSA-N	354.248	2.142	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)NCc2cn(CC(=O)O)nn2)c1C	262685932	ANIBCNSGGQBNFM-UHFFFAOYSA-N	367.409	2.009	10	10	FECE	
COCCCN(Cc1cc(Cl)c(F)cc1O)[C@H]1CCS(=O)(=O)C1	294951384	QEERCAWBBAFJEP-LBPRGKRZSA-N	365.854	2.210	10	10	FECE	
Cc1cc(C(=O)COC(=O)c2cn(C)nn2)c(C)n1-c1ccc(F)cc1	808661643	WJIRAUAINJHJCC-UHFFFAOYSA-N	356.357	2.401	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCc3nnc(C4CC4)n3C2)c1	815835452	UNNXCSNRPRUZRT-YPMHNXCESA-N	356.426	2.310	10	10	FECE	
CC[C@@H]1Oc2cc(C(=O)O)ccc2N(OCCOc2ccc(N)cc2)C1=O	821300851	ZNUXTKLUKHJUDU-INIZCTEOSA-N	372.377	2.482	10	10	FECE	
Cc1ccn([C@@H](C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1	822689012	WXCZKIUNQRNJIQ-HNNXBMFYSA-N	360.433	2.435	10	10	FECE	
CN(C)CCN(Cc1cccc(O)c1)C(=O)/C=C\c1ccc(O)c(O)c1	588408378	YODQOIZQABKGEH-CLFYSBASSA-N	356.422	2.407	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@@](C)(CCF)C(=O)O)C2)cc1	909133832	HRQFKUFGPACJSM-ACJLOTCBSA-N	367.421	2.024	10	10	FECE	
COC[C@](C)(O)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	838638349	UVXYSJLCGIFSTJ-LJQANCHMSA-N	351.491	2.460	10	10	FECE	
CO[C@@H](C(=O)Nc1c(-c2ccccn2)nc2ccccn12)[C@@H]1CCOC1	854513452	JZKAHZWJGYJNLT-CXAGYDPISA-N	352.394	2.386	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@]12C[C@H]1COC21CCC1	929537004	IHIPNWFKLBLXOT-UWJYYQICSA-N	356.466	2.441	10	10	FECE	
Cc1cc(C(=O)N2CCN3CCOC[C@@H]3C2)c(C)n1-c1ccc(F)cc1	754459462	GPFFUABMPWIQSM-SFHVURJKSA-N	357.429	2.390	10	10	FECE	
C[C@@H]1C[C@]2(CCO1)C[C@H]2C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	759653788	NIAQMWSDLHMRDJ-FYINFDKHSA-N	374.481	2.459	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H]2COC[C@H]2C1	850653595	QXNWOGHXALFOBL-DLBZAZTESA-N	360.454	2.016	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1OCCO[C@H]1C(F)(F)F	864863500	UYZCGDGDUCTJIJ-LSDHHAIUSA-N	358.360	2.249	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@@H](O)[C@@H]2CCCO2)cc1	862653084	FDEYEXVQSWOJJC-UXHICEINSA-N	370.449	2.105	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1	761983475	RXWLGFKTWWUGNP-NTYUQYKDSA-N	355.394	2.046	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C3(N4CCOCC4)CCC3)CC2)cc1	770486104	MAVFUOCAXCSVKL-UHFFFAOYSA-N	373.497	2.035	10	10	FECE	
CN(Cc1cccs1)c1ccc(CN2CCn3nnc(CO)c3C2)cc1	894809699	LOTFMPRMEJSIAG-UHFFFAOYSA-N	369.494	2.484	10	10	FECE	
Cc1ccc(CN2CC(n3cc(CNC(=O)OC(C)(C)C)nn3)C2)c(O)c1	895703151	ZBBNHHRPKJUUPS-UHFFFAOYSA-N	373.457	2.374	10	10	FECE	
COC(=O)c1c(CN2C[C@@H](O)CC(F)(F)C2)c2cc(F)ccc2n1C	894539039	WREWVCICCJHGOY-NSHDSACASA-N	356.344	2.306	10	10	FECE	
CN(CCN1CCOC(C)(C)C1)C(=O)c1cc2cc(O)c(O)cc2s1	897600830	UQVVTKBDVQZYDU-UHFFFAOYSA-N	364.467	2.495	10	10	FECE	
COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(O)cc2C)ccc1O	797820342	SJDWSNYQKNNKRJ-UHFFFAOYSA-N	354.340	2.124	10	10	FECE	
COc1ccc(CNC(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)c(O)c1	797390828	UXZXPLYCWKAQGV-UHFFFAOYSA-N	373.409	2.475	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@H]1C(F)F	2118177169	YVXJMLZTNSZUIN-GHMZBOCLSA-N	372.368	2.328	10	10	FECE	
CN1CCc2cc(CN[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)ccc21	2126908371	VDOJIFIEUZQOAK-WMZOPIPTSA-N	361.486	2.139	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2COC[C@]2(C(=O)NCC2(CN=[N+]=[N-])CC2)C1	2124541381	SADSARAWQNPONO-YVEFUNNKSA-N	365.434	2.077	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2124507050	FAFGOWXJLNPMLR-KGLIPLIRSA-N	366.466	2.229	10	10	FECE	
CCOc1ccc(CN(C)C(=O)C(=O)N2Cc3cccc(O)c3C2)cc1	1331928883	IUCKHPYSWGJZOB-UHFFFAOYSA-N	354.406	2.292	10	10	FECE	
CC(C)[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1	1350938123	YEWVKKUNRWOQBH-PKOBYXMFSA-N	374.481	2.451	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	1295590654	NBHYNVBEWDMAAD-PZSREKOKSA-N	367.829	2.362	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNCc2ccc(Cl)cc2O)C1	1462671689	GUOZIQRSXCDSGY-SWLSCSKDSA-N	356.850	2.363	10	10	FECE	
Cc1cccc(CN2CCO[C@@H](CNC(=O)NCc3ccccc3O)C2)c1	1471101700	OOPBTQXOAJZIBP-IBGZPJMESA-N	369.465	2.401	10	10	FECE	
CCN(C(=O)NCCc1c(C)n2c3c(cccc13)CCC2)[C@@H]1COC[C@@H]1O	1616106326	SHCYARMVZIPIQP-MOPGFXCFSA-N	371.481	2.230	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(Cn2ccccc2=O)o1	1556158392	ZDMLMVGRHFYNDH-CYBMUJFWSA-N	368.389	2.262	10	10	FECE	
COC(=O)[C@@H](CC1OCCO1)NC(=O)c1ccc(-n2c(C)ccc2C)cc1	1558046590	KFGWNQWLXZYSGR-QGZVFWFLSA-N	372.421	2.129	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c(C)nc(O)nc1SC	1556515811	NIMXTGGGRBJBFO-UHFFFAOYSA-N	354.428	2.334	10	10	FECE	
C[C@@H](NC(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1)c1ccccc1O	1684989219	QKXNEHDEIOPVPN-GFCCVEGCSA-N	369.487	2.003	10	10	FECE	
C[C@H](NC(=O)[C@H]1CCOC[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O	1877573387	KHUZZDGWNREHCN-QEJZJMRPSA-N	364.442	2.499	10	10	FECE	
CN(Cc1cn(C)nn1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2	689254395	AHLXFXZOMGDTLJ-UHFFFAOYSA-N	372.473	2.327	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)Nc1ccc(N)cc1	2044246414	VDQVWRROQONHND-AWEZNQCLSA-N	350.419	2.026	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1ccc(O)c(O)c1	2054397743	LNACTZOLAVEMAI-DGCLKSJQSA-N	350.415	2.331	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1	2054411380	XTXVEUYCZXRBKA-YPMHNXCESA-N	350.415	2.473	10	10	FECE	
CO[C@@H](CCNC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1O	2060072568	YVAXQFRNXLHKNM-HNNXBMFYSA-N	352.431	2.280	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2COC[C@]2(C(=O)NCCCCN=[N+]=[N-])C1	2060638865	BVDYYNQBCNVKDZ-BLLLJJGKSA-N	353.423	2.077	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@@H]1CN=[N+]=[N-])C1(O)CCC1	2067738952	DCDBFFFTRYGCHX-VXGBXAGGSA-N	353.423	2.096	10	10	FECE	
COc1cc(N)c(N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C)cc1OC	2106844299	QXAKIBMGQOXJJA-ONGXEEELSA-N	361.364	2.322	10	10	FECE	
CCN[C@@H](c1cn(CCNC(=O)OC(C)(C)C)nn1)c1ccccc1O	2090042439	LVHLDRCABSNZJR-MRXNPFEDSA-N	361.446	2.207	10	10	FECE	
Cc1ccccc1C=C1SC(=S)N([C@@H](CC(=O)O)C(=O)O)C1=O	2293039624	UPOHVOFCFFRSCF-JTQLQIEISA-N	351.405	2.124	10	10	FECE	
O=C1C(=Cc2cnc3ccccc3n2)SC(=S)N1N1CCOCC1	2296590767	SRARSCNUSXXNPY-UHFFFAOYSA-N	358.448	2.078	10	10	FECE	
CCOC(=O)COc1ccccc1C=C1C(=O)NN(c2ccccc2)C1=O	2297329767	SURQSSGISXTSEU-UHFFFAOYSA-N	366.373	2.090	10	10	FECE	
CN(C)c1ncc(NC(=O)C=Cc2ccc(N3CCOCC3)cc2)cn1	2303422954	JUEUUALJKMZBES-UHFFFAOYSA-N	353.426	2.031	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H]1Cc2nc[nH]c2CN1C(=O)OC(C)(C)C	2337776711	NZZLQRYXUNWFOR-ZDUSSCGKSA-N	363.422	2.230	10	10	FECE	
C[C@@H](NCCCN1CCOC1=O)c1ccc(N2CCOCC2)c(F)c1	178592638	NUQDKMAGQVEOHL-CQSZACIVSA-N	351.422	2.155	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN[C@@H](C)c3nccs3)CC2)cc1	184415597	VTLGUDAXJRCQRQ-AWEZNQCLSA-N	360.483	2.151	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCO[C@]3(CCOC3)C2)cc1F	184451288	YIERCPOUVIJSTA-LJQANCHMSA-N	365.449	2.373	10	10	FECE	
CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1ccc(N2CCOCC2)cc1	373587388	WUECLYWNKRUJDK-OALUTQOASA-N	362.470	2.066	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)[C@H]1CCc2c[nH]nc2C1	804736669	XXZWTFMBOQKRBO-VIFPVBQESA-N	350.216	2.299	10	10	FECE	
CC(=O)C(=O)COC(=O)c1cnn(-c2ccc(Br)cc2)c1C	808493954	RPWMSEGNHBQSOW-UHFFFAOYSA-N	365.183	2.258	10	10	FECE	
CC(C)(C)OC(=O)N1CCC2(C1)CN(c1cc3c(cc1N)OCC(=O)N3)C2	2162986510	HFEDZMVXQWYGRS-UHFFFAOYSA-N	374.441	2.047	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@@H]3C[C@@H]32)C1	646748716	RTYHCAVKNDDDIY-VQTJNVASSA-N	353.466	2.408	10	10	FECE	
Cc1cc(Cl)cc(CN2CCN([C@@H]3CCNC(=O)CC3)CC2)c1O	825147639	JOFCGYMBDKXUMS-INIZCTEOSA-N	351.878	2.140	10	10	FECE	
CCC(C)(CC)NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	820986557	QTXORYSZOZDEGI-UHFFFAOYSA-N	367.515	2.299	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)c2c3n(c(=O)n2C)CCCC3)cc1F	823213802	QKMDZCRIEAHBJV-UHFFFAOYSA-N	374.460	2.438	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)NCc2ccc3c(c2)CCCN3C)c1	731981664	RLEBAFOCLGNLOG-VURMDHGXSA-N	364.449	2.153	10	10	FECE	
CO[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@](C)(C(=O)O)C1	908847959	XJJPNEVKXNFROV-LPHOPBHVSA-N	361.442	2.060	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCC[C@@H](CNS(C)(=O)=O)C2)cc1	835025423	UOQUFSVORIPAHE-YXMMZVCTSA-N	351.516	2.027	10	10	FECE	
Cc1cc(C(=O)CN2CN(C)C(=O)[C@H]2C)c(C)n1-c1ccc(Cl)cn1	830798788	RRIWBIVZBUONKT-CYBMUJFWSA-N	360.845	2.445	10	10	FECE	
CN1CCN(c2ccc(CN3CC[C@@H](C(F)(F)F)[C@@H](N)C3)cc2)CC1	903983061	BFBHRRDJRGFNFY-SJORKVTESA-N	356.436	2.150	10	10	FECE	
Cc1cc(O)c(CN2CCN(c3cc(C)nc4ncnn34)CC2)c(Cl)c1	840909470	CUKCIASGZRDSSM-UHFFFAOYSA-N	372.860	2.422	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)C[C@H](CC(C)C)OC)C2)cc1	849417636	WUBRAJDRODPHAD-QAPCUYQASA-N	370.515	2.254	10	10	FECE	
COc1cc(Br)cc([C@H](C)NC[C@H](O)c2cnn(C)c2)c1O	848529470	NWXDCUISQOHSPD-ZANVPECISA-N	370.247	2.281	10	10	FECE	
CN(C)c1ccc(/C=C\CNC[C@@H](N2CCNCC2)C(F)(F)F)cc1	841070040	IZCDSTASDCZTSN-CWIOURORSA-N	356.436	2.192	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@H](CO)c1ccccc1	749564524	NUQVEXQJFVEJPQ-LJQANCHMSA-N	369.465	2.099	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCC(O)(C3CC3)C3CC3)C2)cc1	854297790	WZSVAYRJTKAMLH-MRXNPFEDSA-N	359.470	2.124	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC(C)(C)c3noc(C)n3)C2)cc1	853688441	BGBWYCMZVOTKMV-ZDUSSCGKSA-N	359.430	2.200	10	10	FECE	
COc1ccc(N2CC[C@@H](N[C@@H](c3cccnc3)c3nc[nH]n3)C2)cc1	850485740	BHOGJYIIALOBHT-QAPCUYQASA-N	350.426	2.166	10	10	FECE	
CSc1cccc(-n2c(C)cc(C(=O)CN3C[C@@H](O)C[C@@H](O)C3)c2C)c1	752311374	VWYXDEFDWPZJPX-CALCHBBNSA-N	374.506	2.426	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@@](C)(C(F)F)C3)C2)cc1	852450009	FEJWNRNVOKDXEJ-SCLBCKFNSA-N	369.412	2.340	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](N4CCCC4)C3)C2)cc1	854301007	GBTDYXCTMOMDAR-WMZOPIPTSA-N	358.486	2.154	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)c1ccn(C2CCOCC2)n1	862025339	KAOWGXWMMRGIDZ-UHFFFAOYSA-N	352.394	2.418	10	10	FECE	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cn(C)nc2C(C)(C)C)c1	866841763	MEPWUNQITPEKMY-NSHDSACASA-N	367.471	2.471	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)Nc3cccc(F)n3)CC2)cc1	768095942	HVHITXQXVMOHFL-UHFFFAOYSA-N	373.432	2.173	10	10	FECE	
COc1cccc(NC(=S)NCc2cccc(N3CCOCC3)n2)c1	774258320	OWNCZJYTVFSFTP-UHFFFAOYSA-N	358.467	2.413	10	10	FECE	
O=C(O)c1cc(NS(=O)(=O)c2c[nH]c3nccc(Cl)c23)ccc1O	776434664	IXKGJBXLBKCWDG-UHFFFAOYSA-N	367.770	2.421	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3Cc4ccccc4[C@H]3O)C2)cc1	895651376	XMQZHPPHRRNAAB-CDHQVMDDSA-N	367.449	2.231	10	10	FECE	
CCn1nc2c(cc1=O)CN(C(=O)c1cc3cc(O)c(O)cc3s1)CC2	896857196	SWHWLBSRBSBBGK-UHFFFAOYSA-N	371.418	2.088	10	10	FECE	
CO[C@H](C)c1cccc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1	785304584	QGXQQTKUGPELMN-QWHCGFSZSA-N	372.421	2.491	10	10	FECE	
CC[C@H](Sc1nc(CC(=O)NCc2ccccc2O)cs1)C(N)=O	1150537239	ZCAFAYOERPBWPR-ZDUSSCGKSA-N	365.480	2.064	10	10	FECE	
NC(=O)N[C@H](CC(=O)NCc1ccc2cccnc2c1O)c1ccccc1	1162607556	VAQOTAJEAMMAMX-MRXNPFEDSA-N	364.405	2.356	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1	1176748116	KPPPKPNIPNVBGP-LLVKDONJSA-N	362.332	2.045	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)c3ncoc3C3CC3)cc2)CC1	1288913083	NWKRNRBNZFRSGP-UHFFFAOYSA-N	368.437	2.184	10	10	FECE	
COC(=O)[C@H]1C[C@@H](O)CN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1	1632077528	CMLVRWNAXTYGMS-DLBZAZTESA-N	370.449	2.399	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H](c2nnc(O)o2)C1	1639299165	XANUSNWNYCHBDZ-QMMMGPOBSA-N	361.379	2.421	10	10	FECE	
COC(=O)[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)c(F)c1	1636540651	FKPQIPBYSRKQNQ-MRXNPFEDSA-N	367.760	2.463	10	10	FECE	
C[C@@](CO)(Cn1cnc2ccccc21)NC(=O)/C=C/c1ccc(O)c(O)c1	1637372297	VHSRVXUEPRTJSI-JCOOBLOPSA-N	367.405	2.028	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NCc1ccc(F)c(F)c1O	700733672	WOBCVRFCBWNDCL-HPGNRBDVSA-N	370.396	2.441	10	10	FECE	
CN(C)c1ccc(CN=c2nc(C3CN(C(=O)OC(C)(C)C)C3)[nH][nH]2)cc1	2184131260	LXWKZRKAJLYJQL-UHFFFAOYSA-N	372.473	2.239	10	10	FECE	
COC[C@](O)(CNC(=O)OC(C)(C)C)c1ccc2c(c1)CCCN2C	2044729486	HQNYYYWMTFDFTR-LJQANCHMSA-N	350.459	2.428	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2060613683	UIZHXPYWSLPXJZ-AGIUHOORSA-N	353.423	2.048	10	10	FECE	
C[C@@H](COCC(=O)N[C@@H](C)c1ccccc1O)NC(=O)OC(C)(C)C	2072470857	JEBDSINBRIJJNO-STQMWFEESA-N	352.431	2.499	10	10	FECE	
Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])cn1	2225792577	OIEPOJDKLOWYLR-UPJWGTAASA-N	363.422	2.334	10	10	FECE	
CN[C@H](c1ccccc1O)[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O1	2265106921	ANJCXGMGDMIHST-VVLHAWIVSA-N	364.442	2.056	10	10	FECE	
COc1ccc(O)c(CN[C@@]23CO[C@@H](C2)[C@H](NC(=O)OC(C)(C)C)C3)c1	2266447278	CIAFSUOYTYNPRD-SIXWZSSISA-N	364.442	2.315	10	10	FECE	
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)cc3)C2=O)cc1	2297219042	JAQBSGDFNSRHEJ-UHFFFAOYSA-N	352.346	2.457	10	10	FECE	
Cc1nccn1C[C@@H](C)CNC(=O)C=Cc1ccc(N2CCOCC2)cc1	2297505856	DQXQBPSQAMSOIW-KRWDZBQOSA-N	368.481	2.494	10	10	FECE	
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)C=Cc1ccc(N2CCOCC2)cc1	2297632299	ZXSHCYQVBYYEDL-RLLQIKCJSA-N	356.466	2.466	10	10	FECE	
CCN(CCO)C(=O)CN1C(=O)C(=Cc2ccccc2C)SC1=S	2314936485	YNJYHKBQFUJWOS-UHFFFAOYSA-N	364.492	2.037	10	10	FECE	
CC(C)(C)OC(=O)N1CC(F)(F)[C@@](C)(NC(=O)c2cccc(O)c2O)C1	2336389393	KJLGSEIHFSOLAG-INIZCTEOSA-N	372.368	2.472	10	10	FECE	
C[C@H](OC(=O)CCn1c2c(c3ccccc31)CCCC2)[C@H]1NC(=O)NC1=O	1848815699	FYMAYUKRHFZSKZ-KPZWWZAWSA-N	369.421	2.050	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1C[C@@H]2OCCC[C@@H]21	188016613	MVEPNLYLDWQWBR-AQNXPRMDSA-N	373.497	2.262	10	10	FECE	
CO[C@H](c1cccc(O)c1O)[C@H](NC(=O)OCc1ccccc1)C(=O)O	1952308715	OLFXJRLJGWRLEL-GOEBONIOSA-N	361.350	2.165	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(C(=O)N2CCc3cc(O)c(O)cc3C2)C1	2366905830	IABLOMVXPDRPII-VLIAUNLRSA-N	374.437	2.240	10	10	FECE	
COc1ccc(CNC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)c(O)c1	373669203	ZACXIPMQXSFUAZ-HNNXBMFYSA-N	364.467	2.109	10	10	FECE	
CN(C)c1ccc(CN[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1	808433963	STAUCLQGRZUNHO-KRWDZBQOSA-N	359.495	2.305	10	10	FECE	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1[C@H]2COC[C@H]21	829028006	XGGSFQIOYAFTGF-DANNLKNASA-N	352.381	2.265	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@@H](N4CC=CC4)C3)C2)cc1	824692977	ITIVERNHHXVWCB-IEBWSBKVSA-N	370.497	2.177	10	10	FECE	
COc1cc(Br)cc(CN2CCC[C@](CO)(OC)C2)c1O	826952056	FRFTYQPQLXKMKR-HNNXBMFYSA-N	360.248	2.137	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCc1cc(OC)c(OC)cc1O)C2	822534664	SGQGZTGQFHOSGU-UBHSHLNASA-N	350.415	2.118	10	10	FECE	
CCN(CC)C(=O)CN1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1	835026682	ZQDDAKKKDSMMJH-FPLPWBNLSA-N	358.530	2.252	10	10	FECE	
CN1CCC(CNC/C=C/c2ccc(N(C)C)cc2)(N2CCOCC2)CC1	840955162	NTYHUGHAWAHGJH-SNAWJCMRSA-N	372.557	2.152	10	10	FECE	
Cc1cc(C(=O)N2CCOC[C@H]2c2ccnn2C)c(C)n1-c1ccccn1	846615778	CMVQPQHXCBNATI-SFHVURJKSA-N	365.437	2.436	10	10	FECE	
COc1ccc(O)c(CNC(=O)N[C@H](CCN(C)C)c2cccnc2)c1	918745273	IQUCAWAQAHHRSA-QGZVFWFLSA-N	358.442	2.288	10	10	FECE	
COc1cc(Br)cc([C@@H](C)N[C@H]2CCC(=O)N(C)C2)c1O	848528724	NSTRKAOBKKRUFR-KOLCDFICSA-N	357.248	2.435	10	10	FECE	
CN(C)CCN1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1=O	846011846	QTOOAKLMOPIDIQ-UHFFFAOYSA-N	353.466	2.265	10	10	FECE	
CO[C@@H]1CCC[C@@H]([C@@H](CO)NCc2ccc(N3CCN(C)CC3)cc2)C1	850353622	IRVGKRMHUHYPPL-HMXCVIKNSA-N	361.530	2.094	10	10	FECE	
C[C@@H]1C[C@H]1N1C[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CC1=O	750661116	BRYREXGDPCKZQU-SUYBPPKGSA-N	357.454	2.080	10	10	FECE	
C[C@H](N[C@@H](CO)c1ccnn1C)c1cc(Br)c(F)cc1O	858434806	PZVDPIIYRDDCCR-UFBFGSQYSA-N	358.211	2.412	10	10	FECE	
CC(C)OCCNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	754300375	BIYJWHZPMWOLLW-UHFFFAOYSA-N	374.529	2.443	10	10	FECE	
C[C@@H](NC(=O)N1CCc2nccnc2C1)c1ccc(N2CCOCC2)cc1	852013002	RDZGLCMFSDGQDQ-OAHLLOKOSA-N	367.453	2.142	10	10	FECE	
O=S(=O)(Nc1ccc(-n2cccn2)nc1)c1cc(F)cc(F)c1O	753018326	MBDCMVVRIDBILP-UHFFFAOYSA-N	352.322	2.052	10	10	FECE	
COC(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1	855228959	ICCVPFBXTKISQD-INIZCTEOSA-N	354.406	2.491	10	10	FECE	
COC(=O)C1=CC[C@@H](NC(=O)NCc2cc(Br)ccc2O)C1	858731914	FRXIPCWCUPVJJZ-GFCCVEGCSA-N	369.215	2.216	10	10	FECE	
Cc1cn2c(n1)C[C@@H](C(=O)N(C)Cc1ccc(N3CCOCC3)cc1)CC2	858201384	NFHFCILJJPJACW-SFHVURJKSA-N	368.481	2.249	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1nn(C)cc1Br	935945550	BPMYSFCFGDYISJ-UHFFFAOYSA-N	359.220	2.304	10	10	FECE	
CCCOc1cncc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1	861676097	YHHGYZQMUDILMN-UHFFFAOYSA-N	356.426	2.191	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)COCc3ccnc(OC)c3)C2)cc1	862159297	PZCXMXOMDUAVCZ-MRXNPFEDSA-N	371.437	2.011	10	10	FECE	
C[C@@H](NCC[S@](=O)C(F)(F)F)c1ccc(N2CCOCC2)cc1	930209777	IJPYEMNEAAPJFY-SPSFWMDKSA-N	350.406	2.442	10	10	FECE	
COc1ccc(O)c(CNC(=O)c2cc(C)n(-c3nc(C)cc(C)n3)n2)c1	764264198	DBTHECHSIADWPP-UHFFFAOYSA-N	367.409	2.232	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1CCn2cc(C)nc2C1	862040030	XZAZFCMNGIGNCO-HNNXBMFYSA-N	371.437	2.051	10	10	FECE	
Cc1cc(NC(=O)NCCc2ccc(O)c(O)c2)n(C2CCOCC2)n1	771515396	LOCUDCKGCRSGEK-UHFFFAOYSA-N	360.414	2.318	10	10	FECE	
C[C@H](O)C[C@H](C)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	783257660	WPJNTZKCINCKON-IRXDYDNUSA-N	374.529	2.177	10	10	FECE	
O=S1(=O)CC(CCNCc2ccc(OCc3ccccc3)cc2O)C1	787416527	FOVXUKNFEBBACL-UHFFFAOYSA-N	361.463	2.496	10	10	FECE	
CCOC(=O)[C@H](C[C@H]1CCCO1)NCc1ccc(N2CCOCC2)cc1	895866214	WZOFQPZVXLURNE-MOPGFXCFSA-N	362.470	2.114	10	10	FECE	
COC(=O)[C@H]1[C@@H](CNC2CCN(c3ccc(OC)cc3)CC2)C1(F)F	894216918	WQCVUTOJYPIAGG-HZPDHXFCSA-N	354.397	2.308	10	10	FECE	
CC(=O)CCC(C)(C)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	899472813	KVYKFSVHMHYFLR-UHFFFAOYSA-N	373.497	2.400	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)cc1	1142790939	MGWFCUNWSLGSGV-MRXNPFEDSA-N	365.393	2.380	10	10	FECE	
CC1(C)NC(=O)N(CCCC(=O)NCc2c(O)ccc3ccccc23)C1=O	1157037592	UTJWFNGNNFJDRX-UHFFFAOYSA-N	369.421	2.272	10	10	FECE	
C[C@H](C(=O)NCc1cc(O)ccc1O)C1CN(C(=O)OC(C)(C)C)C1	1176748539	VYNDKIPGXCHZKF-NSHDSACASA-N	350.415	2.217	10	10	FECE	
CC1(C)CC[C@@H](CNC(=O)C(=O)NCCCSc2nccs2)OC1	1262123378	ICNILOLRNSDWMT-LBPRGKRZSA-N	371.528	2.063	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1	2132411006	RLELUKFZJOBSSV-ZYHUDNBSSA-N	366.414	2.227	10	10	FECE	
CC(=O)NCc1cccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1	1354371553	OTNNUBJJZUPOOV-UHFFFAOYSA-N	353.422	2.428	10	10	FECE	
Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)Cc1ccc(O)c(O)c1	1448510362	PCNCBIVTKVTGCC-GOSISDBHSA-N	370.405	2.197	10	10	FECE	
O=C(NCc1ccccc1)[C@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	1299833202	ICSNNETWDMPFPL-KMDWOBIYSA-N	366.417	2.276	10	10	FECE	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cn1c(O)nnc1O	1295595028	OOLVFAVTFWARTP-ZDUSSCGKSA-N	368.393	2.185	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(CO)c(C)o1	1637247656	SAGDXVZTBKSUNA-UHFFFAOYSA-N	367.785	2.255	10	10	FECE	
Cc1c(C(=O)NCc2ccc3cccnc3c2O)nnn1Cc1ccncc1	1638573330	SAHFUQLEIYNOTG-UHFFFAOYSA-N	374.404	2.214	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1CCC(=O)NC(C)(C)C	1744549167	PRMDFUNVWIVYPC-UHFFFAOYSA-N	359.474	2.487	10	10	FECE	
COCCN1CCC[C@H]1CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	163443814	UCNBUNZJJGMDOY-WMZOPIPTSA-N	365.493	2.424	10	10	FECE	
COc1ccc(CNCCN2CCN(Cc3ccccc3)CC2)c(O)c1	237384736	ZEHLECLFUWXSFF-UHFFFAOYSA-N	355.482	2.308	10	10	FECE	
COc1ccc(O)c(CNC[C@@]23C[C@@H](CO2)N(C(=O)OC(C)(C)C)C3)c1	1967734635	QYTURZUZCCVEJU-IFXJQAMLSA-N	364.442	2.269	10	10	FECE	
C[C@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C)c1c(O)cccc1O	394391217	HLGWCJWBMHRUCB-UONOGXRCSA-N	365.474	2.300	10	10	FECE	
C[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H]1CNC(=O)OC(C)(C)C	870370347	MZBRXJFAKZMKGX-NEPJUHHUSA-N	350.415	2.331	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)CN1CCC[C@H](NC(=O)OC(C)(C)C)C1	2060610094	DDVGWJKFGFTKFS-ZDUSSCGKSA-N	354.455	2.134	10	10	FECE	
CC(C)(C)OC(=O)N[C@@](C)(C(=O)NCC1(CN=[N+]=[N-])CC1)C(C)(C)O	2060639864	MVSOAQVROFFWPZ-HNNXBMFYSA-N	355.439	2.247	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)c1nc(=NCc2cc(F)ccc2O)[nH][nH]1	2066590512	OZQHNAMTIXFRQP-SECBINFHSA-N	351.382	2.269	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(c2ccc3c(c2)OC(F)(F)O3)C1	2226696726	OCISKKVYRBLDRM-ZYHUDNBSSA-N	372.368	2.472	10	10	FECE	
O=C(O)CN1C(=O)C(=Cc2cccn2-c2ccc(O)cc2)SC1=S	2294002139	QHOOWJJSBZNLET-UHFFFAOYSA-N	360.416	2.469	10	10	FECE	
COc1cccc(N2CCN(C(=O)C=Cc3ccc(O)c(O)c3)CC2)c1	2307981950	GKYUMPGPJKWHKU-UHFFFAOYSA-N	354.406	2.468	10	10	FECE	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc3c(c2)OCO3)C1=O	100103992	YUHMSVOPTQQETN-UKTHLTGXSA-N	365.345	2.303	10	10	FECE	
CC[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CCN1CCOC	117486904	LDPLUVNOVNMYJI-IBGZPJMESA-N	374.529	2.321	10	10	FECE	
O=[N+]([O-])c1ccc(O)c(CN2CCN(Cc3nccn3C(F)F)CC2)c1	175072055	GENUYWLFSMSVGM-UHFFFAOYSA-N	367.356	2.210	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(N(C)C)n2)cc1	185566848	ATCZBJBDLRNKTA-UHFFFAOYSA-N	369.469	2.249	10	10	FECE	
Cc1cncc(/C=C/C(=O)N2CCOc3ccc(S(C)(=O)=O)cc32)c1	133640574	KBKTUAWTIFDMEK-ZZXKWVIFSA-N	358.419	2.232	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCCCCN3CCCC3)CC2)cc1	46749728	BBKCVKUTFYDING-UHFFFAOYSA-N	360.502	2.403	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)c3sccc3C#N)cc2)CC1	190576377	AYMJCTBXAZLQNZ-UHFFFAOYSA-N	368.462	2.218	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC[C@@H](NC(=O)C(F)(F)F)C[C@H]1C	2162930933	GTNTVXGWILXDON-UHIISALHSA-N	372.391	2.127	10	10	FECE	
O=C(NCc1noc(C2CC2)n1)NCc1cc(Br)ccc1O	805241115	GVELESYKSSIFTO-UHFFFAOYSA-N	367.203	2.415	10	10	FECE	
Cn1ncc2c1C[C@@H](C(=O)NCc1cc(Br)ccc1O)CC2	804734321	IDHMFAMSLKWTRG-JTQLQIEISA-N	364.243	2.310	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)NCCc1nnc2n1CCC2	802229076	QBCSDZOPAMHTJZ-UHFFFAOYSA-N	357.458	2.484	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)[C@H](C)Cc3ccco3)CC2)cc1	824280493	NTNYNHZFDPEEPS-QGZVFWFLSA-N	371.481	2.405	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)NCC3(CCO)CCC3)C2)cc1	824685281	CKVKGZNQJFXEEC-INIZCTEOSA-N	361.486	2.373	10	10	FECE	
COc1ccc(N2CCCN(C(=O)C[C@@H]3CCOC[C@@H]3OC)CC2)cc1	822656327	UYZJUWOVVPMKTO-LPHOPBHVSA-N	362.470	2.176	10	10	FECE	
COc1ccccc1[C@@H](O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	900387100	QNTFAICAKCOUKD-FOIQADDNSA-N	370.449	2.443	10	10	FECE	
CC[C@H](NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@H](C)O	838533004	JOGWMYFGNGQBBS-JXFKEZNVSA-N	374.529	2.177	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H](C)[C@H]1CCCO1	907220974	NNYXQEVWFDSUIK-XHDPSFHLSA-N	355.818	2.362	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H](C)C(C)(C)O)cc2F)C[C@@H](C)O1	738975786	NVEMIZRWAOWTBG-HZSPNIEDSA-N	367.465	2.398	10	10	FECE	
COC[C@@H]1C[C@@H](O)CN1CC(=O)c1cc(C)n(-c2cccc(F)c2)c1C	844394545	VELSAWVCMSNJLJ-ZWKOTPCHSA-N	360.429	2.498	10	10	FECE	
COC(=O)NCC(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	919511846	XMLWPGKDKMSISD-UHFFFAOYSA-N	362.357	2.315	10	10	FECE	
O=[N+]([O-])c1cc(CNC[C@@H]2C[C@@H]3COC[C@@H]3O2)ccc1N1CCCCC1	922730337	RSKRUWIVXUPINO-GJYPPUQNSA-N	361.442	2.479	10	10	FECE	
COc1ccc2c(c1)CCN(c1cc3c(cc1[N+](=O)[O-])OCC(=O)N3)C2	853857898	BBJCULREHZFPDB-UHFFFAOYSA-N	355.350	2.497	10	10	FECE	
CN(C)C(=O)N(C)[C@@H]1CCN(Cc2c(O)cccc2Br)C1	862419650	RHMGPYGNVOBGAP-LLVKDONJSA-N	356.264	2.342	10	10	FECE	
CN(C[C@]1(O)CCc2ccccc21)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	1118187484	PTAUSANNYZFTBP-LJQANCHMSA-N	369.377	2.196	10	10	FECE	
CN1C(=O)COc2cc(NC(=O)c3ccc(N=NC(N)=O)cc3)ccc21	1139162259	NHHVCYYHCSHZLA-UHFFFAOYSA-N	353.338	2.457	10	10	FECE	
COC(=O)c1c(CN2CCSC[C@H]2CCO)c2cc(F)ccc2n1C	894087613	FBIXEAJTIJPSQM-CYBMUJFWSA-N	366.458	2.404	10	10	FECE	
COC(=O)C1([C@@H](O)c2ccc(N(C)C)cc2)CN(C(=O)OC(C)(C)C)C1	2116281632	RZFZNNWJSVKETO-HNNXBMFYSA-N	364.442	2.196	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]1C(=O)NCCc1ccc(O)c(O)c1	2124298949	NCAWDJJXDLJAJX-UONOGXRCSA-N	364.442	2.307	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(N=[N+]=[N-])C1	2124515845	BANXISDPNIQLIB-AWEZNQCLSA-N	361.402	2.349	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC[C@@]1(C)CC1(F)F	1330498620	DGDWOYNHMZFKOR-KRWDZBQOSA-N	353.413	2.229	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H]1CCCC2(CCC2)O1	1262256901	XJVFRLGCLRHRPM-GOSISDBHSA-N	373.497	2.285	10	10	FECE	
CC(C)(C)[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CCO1	1349790403	OCEHCFPRPZVKGR-HNNXBMFYSA-N	370.471	2.041	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@]34C[C@@H]3COC4(C)C)CC2)c(OC)c1	1287483929	ABILCSSCPFWXLQ-VLIAUNLRSA-N	360.454	2.168	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@@H]2CCOC2)n1CC1(O)CCC1	1617939311	BAZNZHZHTSBABD-OAHLLOKOSA-N	358.442	2.039	10	10	FECE	
NC(=O)c1ccc(NC(=O)c2cccc(O)c2O)cc1N1CCCCC1	1543422672	PDZCCJZHTLHMRQ-UHFFFAOYSA-N	355.394	2.439	10	10	FECE	
CN[C@H](c1ccccc1O)[C@]1(O)[C@H](NC(=O)OC(C)(C)C)COC1(C)C	2136989596	XNFTZJQRFCOULX-SPYBWZPUSA-N	366.458	2.086	10	10	FECE	
Cc1cc(CC(=O)N[C@H](CO)CN(C)C)c(C)n1-c1ccc(Cl)cc1	1556503895	BCDPYPRIHAMNRI-KRWDZBQOSA-N	363.889	2.329	10	10	FECE	
Cc1ccc(C(=O)NC[C@@H](O)c2cnc[nH]2)cc1-n1c(C)cc(C=O)c1C	1558343286	XJXXXDUMDGHAPD-LJQANCHMSA-N	366.421	2.402	10	10	FECE	
COc1cccc(-n2cc(C(=O)N[C@@H](C)c3cc(OC)ccc3O)nn2)c1	1630365658	CBSWUZIUJAXJDI-LBPRGKRZSA-N	368.393	2.481	10	10	FECE	
CCN1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)[C@@H](C)C1	1638923535	VQKONVBQAXLGNO-QFBILLFUSA-N	361.534	2.091	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(C(=O)OC(C)(C)C)n[nH]1	1633819308	QEIXBPLXIBBQBL-SNVBAGLBSA-N	361.398	2.137	10	10	FECE	
CC(C)n1nc(C(=O)NCc2c(O)cccc2O)c2ccccc2c1=O	1652623122	OKLDSBOMUBJIAK-UHFFFAOYSA-N	353.378	2.319	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N[C@@H](CO)c3ncc[nH]3)c2C)cc1	1597908770	JKYHCMQOEXWTFH-KRWDZBQOSA-N	354.410	2.289	10	10	FECE	
CCN(CC)c1ccc(CNCCC(=O)N2CCC(C(=O)O)CC2)cc1	1857862324	JLWBPSTZUWATPL-UHFFFAOYSA-N	361.486	2.336	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4CCN[C@@H]4C3)ccc(N)c2C1	1876610545	MDJQNLCESRVPJW-SUMWQHHRSA-N	358.486	2.360	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1	1968857819	SMYGEYFAZBQDLZ-UHFFFAOYSA-N	364.442	2.113	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@H](O)[C@H](F)C3)ccc(N)c2C1	2031869456	FSZVQKCEBXKTBF-CJNGLKHVSA-N	351.422	2.081	10	10	FECE	
O=C(O)CCN1C(=O)C(=Cc2ccc3c(c2)OCCO3)SC1=S	2040446692	KENOTTKNYNCVED-UHFFFAOYSA-N	351.405	2.134	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1	830141491	VJVLXVIMXYBOCO-LJQANCHMSA-N	364.442	2.113	10	10	FECE	
CN(CCC(=O)Nc1ccc(N)cc1)CCN(C)C(=O)OC(C)(C)C	2044595548	XTOSVURDKUYSTD-UHFFFAOYSA-N	350.463	2.396	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CCCN1S(=O)(=O)Cc1ccc(N)cc1	2044644962	WAJDAHACJAMKKW-OAHLLOKOSA-N	369.487	2.088	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@]1(C)C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2081170583	OONGMGJWFBHQQA-LRDDRELGSA-N	353.423	2.314	10	10	FECE	
CN1CCc2cc([C@@H](N)CN3CC[C@@H](NC(=O)OC(C)(C)C)C3)ccc21	2113004707	AVYQNNMGAOGPEK-SJORKVTESA-N	360.502	2.278	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])CC1	2218735932	SUUHXXMXYWJDKL-NEPJUHHUSA-N	353.423	2.096	10	10	FECE	
CC(C)(C)OC(=O)N1CCn2cnc(C(=O)N3CC[C@@H](N=[N+]=[N-])C3)c2C1	2271020245	JEFYCKXPUQIXBQ-LLVKDONJSA-N	361.406	2.159	10	10	FECE	
CC[C@@H](C)N1C(=O)C(=CNCCc2c[nH]c3ccccc23)C(=O)NC1=S	2297053640	MQDRBRURLZVRRU-GFCCVEGCSA-N	370.478	2.226	10	10	FECE	
CCc1cc(N2CCC[C@H](NC(=O)C=Cc3ccc(O)c(O)c3)C2)ncn1	2308001190	IAFLDMKTWMPLOR-INIZCTEOSA-N	368.437	2.249	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCSC1	2320265808	NIMLWMUBRATOPO-LBPRGKRZSA-N	368.455	2.067	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2	2337777292	RLLVDDPJSSUJTN-UHFFFAOYSA-N	363.422	2.475	10	10	FECE	
O=C(OCc1ccccc1)N1CCO[C@H](CNCc2cccc(O)c2O)C1	302119519	TWWUNNIFHQPEAG-QGZVFWFLSA-N	372.421	2.225	10	10	FECE	
O=C1NCCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1c1ccccc1Cl	181999710	UFCCBYOWDPASEF-JHTBKMLMSA-N	372.808	2.464	10	10	FECE	
NC(=O)c1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCC2	40945762	RVMZSJRFCNBGHK-UHFFFAOYSA-N	367.408	2.045	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NC[C@H](O)CN2CCCCC2)cc1	194451826	FBVWORRCEZIVPO-IBGZPJMESA-N	362.518	2.179	10	10	FECE	
CN[C@@H]1C(=O)Nc2cc(N3CCC(OC)CC3)c(Br)cc21	92775163	SMQGRRHQDOQZEJ-AWEZNQCLSA-N	354.248	2.277	10	10	FECE	
COc1ccc(CN=c2nc([C@H](C)NC(=O)OC(C)(C)C)[nH][nH]2)c(O)c1	2130119546	RXVRHQNMQSZHKA-JTQLQIEISA-N	363.418	2.139	10	10	FECE	
C[C@@]1(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CCCO1	92126044	GDIXSZKJXOCSSG-NRFANRHFSA-N	357.498	2.404	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2C[C@@H](N3CCOCC3)[C@H](C)C2)c1O	246304791	CAAPMUDRZLLDPC-SJKOYZFVSA-N	352.862	2.401	10	10	FECE	
COC(=O)CCCN1C(=O)/C(=C\c2cnn3ccccc23)SC1=S	264380622	OGBOINTUEVBJPR-UKTHLTGXSA-N	361.448	2.489	10	10	FECE	
O=C(c1ccnc2[nH]cnc12)N(Cc1ccccc1O)C[C@@H]1CCCO1	272306119	XMIHUHSZCGGCRN-AWEZNQCLSA-N	352.394	2.485	10	10	FECE	
CS(=O)(=O)NC[C@H]1CCC[C@H]1NCc1ccc(N2CCCCC2)cc1	800309884	OUCFEQOWLXQDCN-IEBWSBKVSA-N	365.543	2.484	10	10	FECE	
COCc1nc([C@@H]2COCCN2Cc2cc(Cl)c(F)cc2O)no1	816565384	NFTTZKWHJUXOOV-LBPRGKRZSA-N	357.769	2.288	10	10	FECE	
CNC(=O)[C@H]1CCN(CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1	817282881	MBKKQTSQVWMFQI-HNNXBMFYSA-N	357.429	2.484	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(C[C@H](NCc3cc(F)ccc3O)CO2)C1	827067322	ZXBGQSPOGLZXLU-AWEZNQCLSA-N	352.406	2.399	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3CC4)C2)cc1	849182158	BRFBZQMPRHRABQ-QERJWTBHSA-N	370.449	2.303	10	10	FECE	
Fc1cc(CN2CCNC[C@H]2c2cccnc2)ccc1N1CCOCC1	843113676	ACTLMWWUHXAPIA-FQEVSTJZSA-N	356.445	2.204	10	10	FECE	
COc1ccc(O)c(CNC(=O)N[C@@H](CCN(C)C)c2cccnc2)c1	918745272	IQUCAWAQAHHRSA-KRWDZBQOSA-N	358.442	2.288	10	10	FECE	
Cn1ccnc1CN1CCC(C(=O)NCc2cc(Cl)ccc2O)CC1	846473601	UWMRHIDTAIIUMX-UHFFFAOYSA-N	362.861	2.308	10	10	FECE	
Cc1cc(CCNC(=O)C[C@H]2SC(=N)NC2=O)c(C)n1-c1ccccc1	742498385	HSKJZIYVJQVMKC-MRXNPFEDSA-N	370.478	2.309	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3cc(C4CC4)n(C)n3)C2)cc1	923187388	MINLLALZICYYBV-OAHLLOKOSA-N	369.469	2.384	10	10	FECE	
CC[C@@H]1C[C@H](CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCO1	850356208	QDYREEHCEYJJJX-IEBWSBKVSA-N	366.527	2.216	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C3=CCN(C)CC3)C2)cc1	852248541	IKRLXYNFIXISDK-WBVHZDCISA-N	358.486	2.224	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)[C@H]1CCc2nc[nH]c2C1	854442102	HAAIDXMBICUQGU-VIFPVBQESA-N	350.216	2.299	10	10	FECE	
CN(C)c1nc(O)cc(C(=O)NCc2ccc(N3CCCCC3)cc2)n1	765258084	NGIMZESSEGPWFH-UHFFFAOYSA-N	355.442	2.169	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N1C[C@@H]2[C@H]3CC[C@@H](NC3)[C@H]2C1	861557572	QWDQXCVLOHPVBB-OJAHFUOMSA-N	354.498	2.426	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3[C@H]2CCCN3CCO)c1O	934263221	NLPNIFNBJPDYFA-IAGOWNOFSA-N	352.862	2.279	10	10	FECE	
COc1cccc([C@H](C)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1O	866496256	XQNAIHAQLWJWFC-CFVMTHIKSA-N	366.458	2.422	10	10	FECE	
CCOC1CC2(C1)C[C@H]2C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	869934077	RUSYHJOWWDWRQZ-WBTXTPOCSA-N	374.481	2.459	10	10	FECE	
Cc1cc(CCNC(=O)N[C@H]2C(=O)NCC[C@@H]2C)c(C)n1-c1ccccc1	799399273	FXYDATAPMOXSKA-IFXJQAMLSA-N	368.481	2.460	10	10	FECE	
COc1cc(O)c(CNC[C@H]2CCC3(CCOCC3)CO2)cc1OC	895535948	FXVCEAIZOFCRAB-OAHLLOKOSA-N	351.443	2.475	10	10	FECE	
COC(=O)c1cccc2c1CCN(C(=O)/C=C\c1ccc(O)c(O)c1)C2	1141806154	IBNFWYSLYWXHSU-VURMDHGXSA-N	353.374	2.483	10	10	FECE	
CC(C)N1CCC[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1	1301350036	KGVSWGUGWFPBEQ-GOSISDBHSA-N	359.514	2.384	10	10	FECE	
CCCS(=O)(=O)Nc1ccc(C(=O)NCc2cc(O)ccc2O)cc1	1303223312	JVVHLDMMEAJXSM-UHFFFAOYSA-N	364.423	2.180	10	10	FECE	
COc1ccc([C@H](C)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)c(O)c1	2126902073	MFFGKQUJLCAAFM-RCBQFDQVSA-N	366.458	2.422	10	10	FECE	
CCOc1cccc(CN[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)c1O	2133733432	BGFNGXCSMPUCCW-IBGZPJMESA-N	366.458	2.252	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)COc1cccc([N+](=O)[O-])c1	1449115707	DIOWUVUWKROVDS-UHFFFAOYSA-N	351.355	2.481	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C\[C@H]1COC(C)(C)O1	1463775192	HLFJGGXMZOELGB-GIFJBRJJSA-N	360.454	2.189	10	10	FECE	
COc1ccccc1-c1nnc(CC(=O)NCc2ccc(O)c(O)c2)o1	1545639230	GUECOKFQDSPLRL-UHFFFAOYSA-N	355.350	2.015	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CCCn2ncnc21	1543099369	YPJKDWOIMMPPCZ-INIZCTEOSA-N	357.483	2.025	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O	1618115959	IUOXPLWXIYBNAP-CQSZACIVSA-N	360.797	2.215	10	10	FECE	
CCN[C@H](c1ccccc1O)[C@]1(O)CCOC[C@@H]1NC(=O)OC(C)(C)C	1922427259	XPZXJBASILLREZ-FCEWJHQRSA-N	366.458	2.088	10	10	FECE	
CCOC(=O)N1CCC([C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)CC1	1625817676	MIAWNLFWWYUJBI-GFCCVEGCSA-N	350.415	2.014	10	10	FECE	
Cc1cc(CC(=O)N2CC[C@](O)(CN(C)C)C2)c(C)n1-c1ccccc1	1558044646	XOZWOTIZJINAET-NRFANRHFSA-N	355.482	2.162	10	10	FECE	
C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1nnc(O)n1C	1565377652	WPSDBLCNMAXQPE-LURJTMIESA-N	360.201	2.094	10	10	FECE	
O=C(CNC(=O)OCC(F)(F)F)NCc1c(O)ccc2ccccc12	1645440778	NRAIFBDTYXLFLO-UHFFFAOYSA-N	356.300	2.450	10	10	FECE	
O=C(NCc1cc(O)ccc1O)C1(OCc2ccccc2)CCOCC1	1643882252	RECPQOGLWNRBNF-UHFFFAOYSA-N	357.406	2.480	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@@H]2CCCOC2)n1CC1(O)CCC1	1747750859	ZEEWKLTZKARREV-MRXNPFEDSA-N	372.469	2.429	10	10	FECE	
CO[C@H](C)CN(C(=O)NCc1ccc(N2CCN(C)CC2)cc1)C(C)C	1684873458	HPKGTPZQOCIHJY-QGZVFWFLSA-N	362.518	2.393	10	10	FECE	
O=C(NCc1nc(C(F)(F)F)no1)NCc1cccc(Cl)c1O	1683796743	XGYXROQKEYYKTH-UHFFFAOYSA-N	350.684	2.447	10	10	FECE	
CN(C)c1ccc(CNCC(=O)NCCc2nc3ccc(F)cc3[nH]2)cc1	1857852386	WQYOXXDTTDXZOG-UHFFFAOYSA-N	369.444	2.217	10	10	FECE	
CN(c1ccc(CN)c(Br)c1F)[C@@H]1CS(=O)(=O)C1(C)C	2153846906	XQWTZOTVGUJMQW-SNVBAGLBSA-N	365.268	2.059	10	10	FECE	
O=[N+]([O-])c1ccc(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cc1CO	2153995373	HLMFUPXLKSVCBI-WOJBJXKFSA-N	369.421	2.177	10	10	FECE	
C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)Cc1ccc(N)cc1	382710294	TWIPGDLYXIHDNI-MRXNPFEDSA-N	359.495	2.305	10	10	FECE	
C[C@H](CCNC(=O)OC(C)(C)C)N(C)S(=O)(=O)Cc1ccc(N)cc1	2044594197	GBPBGGMMUFICHM-CYBMUJFWSA-N	371.503	2.334	10	10	FECE	
C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccc(O)cc1O	2052720674	LRBMVEYTBXVWDW-PJODQICGSA-N	352.431	2.119	10	10	FECE	
CON(C(=O)c1cccc(O)c1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	2055890369	ZQOOEYHNIXUWGI-LLVKDONJSA-N	352.387	2.111	10	10	FECE	
CCCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)N(C)CCN=[N+]=[N-]	2060610764	LEJJCIDKPFGARC-QWHCGFSZSA-N	355.439	2.417	10	10	FECE	
CN(CCNC(=O)OC(C)(C)C)CC(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2060639471	IIGSIKKRVHKWHJ-ZDUSSCGKSA-N	354.455	2.134	10	10	FECE	
COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCC(CN=[N+]=[N-])CC1	2060613701	UMKBVPYCHOGJDC-LBPRGKRZSA-N	357.411	2.007	10	10	FECE	
CN(C(=O)C1=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)c1cccc(F)c1	2080948231	SEIQBFZMWRSFMG-LSDHHAIUSA-N	350.390	2.373	10	10	FECE	
[N-]=[N+]=NCCN[C@]1(C(=O)O)CN(Cc2ccccc2)[C@]2(CCCOC2)C1	2100063297	LRHQJBBRQFDZFX-MSOLQXFVSA-N	359.430	2.165	10	10	FECE	
C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1ccc(CO)c(Br)c1	2114228868	SLRJSDOVDXWMHU-VHSXEESVSA-N	350.278	2.199	10	10	FECE	
CN(C)c1ccc([C@H](N)[C@@]2(O)[C@H]3C[C@@H]2CN(C(=O)OC(C)(C)C)C3)cc1	2270725381	ISYMMDFIXWWHRD-NVALYEJGSA-N	361.486	2.370	10	10	FECE	
CC(C)CN1C(=O)C(=CN[C@H](C)c2ccc(F)cc2F)C(=O)NC1=S	2295113266	XWFRCMLKPIJHFA-SNVBAGLBSA-N	367.421	2.399	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CCC[C@H]2C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1	2317361173	NTZXVUOYSZUBOY-IHRRRGAJSA-N	350.459	2.289	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCc2cc(O)c(O)cc2C1	2341193662	HBWCEACYGGHCHC-BZNIZROVSA-N	362.426	2.238	10	10	FECE	
C[C@@H](NC[C@H](c1cnn(C)c1)N(C)C)c1ccc(N2CCC(O)CC2)cc1	129940488	PGBCQQPBRFBPSJ-IIBYNOLFSA-N	371.529	2.335	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)C4)CC2)cc1F	188667418	VAUNDYMECRTKEU-UHFFFAOYSA-N	369.396	2.291	10	10	FECE	
COc1ccc(N2CCN(c3ncc(C(=O)NC(C)(C)C)cn3)CC2)cc1	242408396	BFUTXLNIIXRRKY-UHFFFAOYSA-N	369.469	2.340	10	10	FECE	
O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1cnc2n1CCC2	805135309	IWOZEWYNQYWPMS-UHFFFAOYSA-N	362.238	2.320	10	10	FECE	
O=C(CNC(=O)C1CCCCC1)NCc1cc(Br)ccc1O	804737559	LLJJGCCYUZERAH-UHFFFAOYSA-N	369.259	2.467	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)C1(C(F)(F)F)CCOCC1	823296317	VCSUTQQPUDHYIB-UHFFFAOYSA-N	372.387	2.499	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)CCc1cn(C)nn1	830150307	MZDJCJUSIMAJKV-UHFFFAOYSA-N	367.247	2.265	10	10	FECE	
COc1c(C)cc(CN(C)Cc2cc(O)n3ncc(C(=O)O)c3n2)cc1C	738071670	SANKIFOKLISUED-UHFFFAOYSA-N	370.409	2.391	10	10	FECE	
Cc1cc(C(=O)CN2CCO[C@H]([C@@H](C)O)C2)c(C)n1-c1ccc(F)cc1	839669858	BYLGNADJSHWQKF-QRWLVFNGSA-N	360.429	2.498	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1F	838029903	RYIKVJMCMZJYCM-SMDDNHRTSA-N	363.355	2.346	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1CN(C2CC2)C(=O)O1	847287971	PMGRZYBHCIBEGJ-QGZVFWFLSA-N	358.442	2.069	10	10	FECE	
CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@H](C(N)=O)c1ccc(O)c(O)c1	698467959	JHKVJFQGNCPZSL-WFASDCNBSA-N	366.414	2.040	10	10	FECE	
C[C@H](O)[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1	853474093	GOPSSBISZAUHJR-OXJNMPFZSA-N	369.465	2.445	10	10	FECE	
O=C(NCCN1C[C@@H]2CCCCN2C1=O)NCc1cc(Cl)ccc1O	852652228	QHJRQCDHYJWJCE-AWEZNQCLSA-N	366.849	2.135	10	10	FECE	
CSCC[C@H](NC(=O)Cc1cc(C)n(-c2ccccc2)c1C)C(N)=O	862716734	QGIDLANCCNVJGJ-KRWDZBQOSA-N	359.495	2.360	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Cc3ccc(OC)c(O)c3)C2)cc1	869227671	BGDBUABOLRQCII-OAHLLOKOSA-N	356.422	2.347	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1csc(-c2ncccn2)n1	773767758	ODGXRYJWLLUNAT-JTQLQIEISA-N	356.407	2.372	10	10	FECE	
CC[C@@H]1CN([C@H](CC)C(=O)N[C@H](C)c2cc(OC)ccc2O)CCO1	1150543570	PUPVEHFLSJZZGM-CKEIUWERSA-N	350.459	2.467	10	10	FECE	
C[C@]1(c2cccc(C(=O)NCc3cccc(Cl)c3O)c2)NC(=O)NC1=O	1159033373	HKTMFCURIXVZSD-GOSISDBHSA-N	373.796	2.030	10	10	FECE	
NC(=O)c1ccc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)nc1	1325236631	MGRYAPWIKGSLSW-UHFFFAOYSA-N	365.481	2.325	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1(O)CCC1	2131451786	QMRODHXJPXKFEY-OAHLLOKOSA-N	364.442	2.159	10	10	FECE	
CN(C[C@@H]1CCCN1C(=O)c1cc(O)c(O)c(O)c1)C(=O)OC(C)(C)C	2132403935	NXBPFCKOABCELS-LBPRGKRZSA-N	366.414	2.275	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc([C@@H]2CC(=O)NC(=O)N2)cc1	1453975492	JZGOZAOZXXJMPZ-OLUUIJGHSA-N	367.361	2.020	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)N[C@]23C[C@@H]2COC3(C)C)N(C)C)cc1	1479535804	YXCFGOMRBHVLIU-OXFYSEKESA-N	360.502	2.222	10	10	FECE	
O=C(CCNC(=O)c1cc2ccccc2[nH]1)NCc1c(O)cccc1F	1558454711	KTWRQMRJIHXYRX-UHFFFAOYSA-N	355.369	2.449	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)Cn1nnc(-c2ccc(C)cc2)n1	1636058810	RVIRIBXNLLYZEA-UHFFFAOYSA-N	372.425	2.156	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccnn2CC2CCC2)c1	1644021660	ZBYYYVSNFZUGDP-UHFFFAOYSA-N	364.427	2.013	10	10	FECE	
C[C@H](Oc1ccc(N)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	1860078572	OQZITBFOJOGXCL-KPZWWZAWSA-N	367.405	2.330	10	10	FECE	
C[C@@H](NC(=O)c1cn(C)[nH]c1=NC(=O)OC(C)(C)C)c1ccccc1O	1877573077	GGQFZRGGJXEYOY-LLVKDONJSA-N	360.414	2.386	10	10	FECE	
O=S1(=O)CC[C@@]2(CCCN2Cc2ccc(Br)cc2O)C1	2158462475	NWRHJDWMRFUBTG-AWEZNQCLSA-N	360.273	2.308	10	10	FECE	
CN1CCc2cc(CNC[C@@H]3CN(C(=O)OC(C)(C)C)CCN3C)ccc21	394442470	YPLVDWNWGQAJJM-GOSISDBHSA-N	374.529	2.320	10	10	FECE	
Cc1cccc(CNC[C@@H]2C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)c1O	2052661525	WTFZOQAANHJBKT-BPUTZDHNSA-N	350.459	2.454	10	10	FECE	
CO[C@H](CCNC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1O	2060072569	YVAXQFRNXLHKNM-OAHLLOKOSA-N	352.431	2.280	10	10	FECE	
CO[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1O	2060258105	XZYSVGJLHCHNPE-WFASDCNBSA-N	352.431	2.279	10	10	FECE	
CN(c1ccc(N)cc1)S(=O)(=O)c1cc(Br)ccc1N	2191764263	SJTWQBPVUWPJHZ-UHFFFAOYSA-N	356.245	2.439	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CNC(=O)COc2ccc(N)cc2)C1	2106237857	UNLFHUMKNHFTMN-HIFRSBDPSA-N	363.458	2.457	10	10	FECE	
CO[C@@H]1CN(Cc2cc(N)ccc2O)[C@](C)(CNC(=O)OC(C)(C)C)C1	2106682470	VBKFYFSGXDJMQX-KXBFYZLASA-N	365.474	2.479	10	10	FECE	
CN(C)c1ccc([C@@H](N)[C@@H](NC(=O)OC(C)(C)C)c2cn(C)nn2)cc1	2110394590	OWJPNPCLCQRHEF-CVEARBPZSA-N	360.462	2.147	10	10	FECE	
CN1CCCc2cc(CN[C@H]3COC[C@@H]3NC(=O)OC(C)(C)C)ccc21	2093581527	SIYPIKRINIMWJY-IRXDYDNUSA-N	361.486	2.451	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](NCc2ccc(O)c(O)c2O)C1	2219139760	BFKMEXJNQVGTAK-VXGBXAGGSA-N	356.394	2.241	10	10	FECE	
CCN1C(=O)NC(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O	2313631118	AJPBXLIUZDYFBU-UHFFFAOYSA-N	355.306	2.337	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCC[C@@H](N=[N+]=[N-])C3)CO[C@@H]1C2	2334199747	COBHLXSPUZIEEB-ZFRZLUBXSA-N	365.434	2.360	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)C1=NO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1	2337775783	GCGLVOFRJGTZPL-INIZCTEOSA-N	366.422	2.301	10	10	FECE	
CN(C(=O)OC(C)(C)C)C1(C(=O)N2CCc3cc(O)c(O)cc3C2)CC1	2341200802	IKVPPZAGSNTRFN-UHFFFAOYSA-N	362.426	2.382	10	10	FECE	
CCS(=O)(=O)N(C)C1CCN(Cc2cc3c(cc2O)CCC3)CC1	109001201	UYDKFAGFGHFCSB-UHFFFAOYSA-N	352.500	2.127	10	10	FECE	
Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C(=O)c1ccc(C)c(O)c1O	185800744	MUIFHZFBTKXKHK-HNNXBMFYSA-N	358.369	2.167	10	10	FECE	
O=C(O)CN1C(=O)/C(=C/C=C/c2ccc([N+](=O)[O-])cc2)SC1=S	83328277	NSJJMWKNXHHMIK-YUTSCENRSA-N	350.377	2.437	10	10	FECE	
CN1CCC[C@H]1C(=O)N1CCN(Cc2c(O)ccc3ccccc23)CC1	93821013	VZGUGUDWKPMWJM-IBGZPJMESA-N	353.466	2.284	10	10	FECE	
COC(=O)CN(C(=O)/C=C\c1ccc(N2CCOCC2)cc1)C1CCCC1	255315772	UAIATNZBAGAXKR-FLIBITNWSA-N	372.465	2.481	10	10	FECE	
Cc1cc(C[C@@H](C)NC(=O)/C=C\c2ccc(N3CCOCC3)cc2)n[nH]1	255682381	CVNNXWGNPZKHNP-GTBONMDNSA-N	354.454	2.315	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCCOc1ncccc1F	269531326	HFRVPUFPUBLDDB-VMPITWQZSA-N	371.412	2.266	10	10	FECE	
COc1cccc(CNC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)c1O	269169711	HGKHPIUDFXLLHM-AWEZNQCLSA-N	364.467	2.109	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CCN(c3ccccc3)C2=O)c1O	278910993	SKWJHDPCGMAQQD-AWEZNQCLSA-N	357.366	2.204	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CC[C@H]3C(=O)O)cc2F)C[C@@H](C)O1	901961858	WXYVZBOELSVJNR-QHSBEEBCSA-N	364.417	2.166	10	10	FECE	
O=C(COc1ccccc1)N1CCOc2ccc(N3CCOCC3)cc2C1	581789213	QEORJLLGDUOQJD-UHFFFAOYSA-N	368.433	2.323	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCOC[C@H]1c1ccnn1C	844991004	NRYLBLNLEAVCQH-SFHVURJKSA-N	357.458	2.078	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]([C@@H](N)Cc1ccc(O)c(O)c1)C(F)(F)F	1952963842	HWHUOAISIXDGDW-JOYOIKCWSA-N	350.337	2.423	10	10	FECE	
C[C@H](NC(=O)NC[C@H]1CCN1C1CCOCC1)c1ccc(N(C)C)cc1	922055942	UILPTHDAGMDPRO-HNAYVOBHSA-N	360.502	2.366	10	10	FECE	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	855225253	JGKCKAIJFYRMTM-VBQJREDUSA-N	363.458	2.161	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc4c(c3)CNC4)C2)cc1	851663733	HJNRVALHLJPLGB-SFHVURJKSA-N	366.465	2.377	10	10	FECE	
COCC1(CCNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1	852391949	CPQMRGTWERZBAN-UHFFFAOYSA-N	361.486	2.264	10	10	FECE	
CC1(C)OC(=O)c2ccccc2[C@H]1C(=O)NCCc1ccc(O)c(O)c1	866757125	KBTWWZVRZBQWKK-KRWDZBQOSA-N	355.390	2.489	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3[C@@H]4C[C@H]5[C@H](CO[C@H]53)C4)C2)cc1	868721132	RYMBPPSMHWYIKN-VRRLIPPPSA-N	371.481	2.244	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[C@@H]4C[C@@H]43)cc2F)C[C@@H](C)O1	761091358	MFGJUSOVJLFACK-UMHPPVOVSA-N	361.461	2.150	10	10	FECE	
C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@H](C(F)(F)F)O1	761908808	UWRNDPBAKKLIHS-MADCSZMMSA-N	361.276	2.082	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)CCOC(C)(C)C)C2)cc1	867496888	JZCNZIKMPOKIPA-AWEZNQCLSA-N	356.488	2.008	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1noc(C2CC2)n1	763553533	ITYFXUDEHLAPEH-UHFFFAOYSA-N	371.441	2.125	10	10	FECE	
CCC(C)(C)[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1	1118592484	JGWGMFJVJPDNSN-OAHLLOKOSA-N	361.486	2.080	10	10	FECE	
COc1nn(C)cc1NC(=O)NCc1ccc(N2CCSCC2)cc1	789319768	ZFHRSWYMVPPVQS-UHFFFAOYSA-N	361.471	2.304	10	10	FECE	
CS(=O)(=O)c1ccc(N)c(C(=O)NCc2ccc(N3CCCC3)cc2)c1	1141538009	GHSSOVXLJLMAQJ-UHFFFAOYSA-N	373.478	2.203	10	10	FECE	
CC[C@H](NCC1(S(N)(=O)=O)CC1)c1cc(Br)ccc1O	714007983	IHBRFIFAOYOLPR-NSHDSACASA-N	363.277	2.017	10	10	FECE	
COc1cc(NS(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)ccc1O	797819476	KKIYBCUFSKVCOC-VIFPVBQESA-N	370.452	2.460	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N(c1cc3c(cc1N)OCCO3)C2	2131209557	XOAQSTAXIFJYDG-OLZOCXBDSA-N	361.442	2.486	10	10	FECE	
COc1ccc(N2CCN(C(=O)/C=C/[C@H]3COC(C)(C)O3)CC2)cc1F	1445848927	VSSWWMKDNARSEP-ZKKXHLJNSA-N	364.417	2.191	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)N(C)C)cc1	1289600971	XEXJNAOVJBMDRF-WMZOPIPTSA-N	374.529	2.119	10	10	FECE	
C[C@H]1CN(Cc2cccc(CNC(=O)Cc3ccc(O)c(O)c3)c2)CCO1	1464419915	OMYVWVFHEOEJIN-HNNXBMFYSA-N	370.449	2.177	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc2c(c1)NC(=O)CS2	1539187614	FGSZCRWPIDPYBK-UHFFFAOYSA-N	356.451	2.464	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccnc(OC)c3)C2)cc1	1470772782	MTNAVSGRBQKQKB-INIZCTEOSA-N	370.453	2.219	10	10	FECE	
Cc1cccc(CN2CCO[C@@H](CNC(=O)c3ccc(C)c(O)c3O)C2)c1	1471229195	NJWAREHVGRUZSH-KRWDZBQOSA-N	370.449	2.345	10	10	FECE	
COCCc1cc(NC(=O)c2ccc(C3=S=C(C=O)C=C3)cc2)n(C)n1	1545710103	SDPCCXQUZKOFFV-UHFFFAOYSA-N	369.446	2.056	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CNC(=O)COc1ccc(N)cc1)C1CCC1	2137697225	WCDUJHDEAOFCLE-INIZCTEOSA-N	363.458	2.457	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1nnc2ccc(Br)cn12	1635805589	IWWVKBIEVKWLQH-UHFFFAOYSA-N	363.171	2.084	10	10	FECE	
CC1(C)CN=C(N2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC2)S1	1566429426	GFRBIWKVWJWMCV-UHFFFAOYSA-N	374.470	2.488	10	10	FECE	
CC(C)c1nnc(NC(=O)CCC(=O)NCc2cc(O)ccc2O)s1	1644754265	UFSVFIKTHJYQHQ-UHFFFAOYSA-N	364.427	2.108	10	10	FECE	
COCCC(C)(C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1687807469	SLIIWWGRBCTHNX-QGZVFWFLSA-N	350.507	2.470	10	10	FECE	
CCOCCN1CCN(Cc2cc(OC)c(OC)cc2O)C[C@@H]1CC	160257326	SUNMDYPLNJGHKJ-INIZCTEOSA-N	352.475	2.342	10	10	FECE	
COc1cc(NC(=O)c2cc(O)c(O)c(O)c2)c(Cl)cc1C(=O)O	1865876487	NRIWXXISIUQXMC-UHFFFAOYSA-N	353.714	2.416	10	10	FECE	
OC[C@H]1COCC[C@@H]1NCc1cc(Cl)cc(Br)c1O	1878774524	LCCCPIMFFVJIET-CABZTGNLSA-N	350.640	2.295	10	10	FECE	
CN(C)c1ccc([C@H](CN)N2C[C@@H]3C[C@H](C2)N3C(=O)OC(C)(C)C)cc1	1880605786	NWVHAUZBEGPVBA-KSZLIROESA-N	360.502	2.446	10	10	FECE	
O=C(N[C@H]1C[C@@H](NCc2ccc(O)c(O)c2O)C1)OCc1ccccc1	1977130679	KYIDSCCBELUKDA-GASCZTMLSA-N	358.394	2.350	10	10	FECE	
COc1cccc(O)c1[C@H](C(=O)O)N(CCCO)C(=O)OC(C)(C)C	2042580622	FDPHGLPMRJBHJQ-CQSZACIVSA-N	355.387	2.146	10	10	FECE	
COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(OC)cc1N	2044762993	RIVGWHRGHNIZKV-CYBMUJFWSA-N	351.447	2.350	10	10	FECE	
CCCCNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2059512419	FYQIJMLNTQDSHJ-ZDUSSCGKSA-N	352.431	2.450	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@H]2CN1CCC(=O)Nc1ccc(N)cc1	2198983900	VLLYWAZZQFVFBY-IAOVAPTHSA-N	374.485	2.442	10	10	FECE	
CN(C(=O)CN1CC(C)(CNC(=O)OC(C)(C)C)C1)c1ccc(N)cc1	2106763823	HXMISDIHBLMUBR-UHFFFAOYSA-N	362.474	2.078	10	10	FECE	
Cc1ccc(N2C(=O)NC(=O)C(=CNN3CCCCCC3)C2=O)cc1C	2296185208	KAYQSXYGHFSTDZ-UHFFFAOYSA-N	356.426	2.151	10	10	FECE	
CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C/C=C/c1ccco1	103512596	ZYVBQDPEHDVNPV-NKJMRRHMSA-N	357.391	2.289	10	10	FECE	
CNC(=O)c1cccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1	172678925	AAXIPGPAGTXWPU-UHFFFAOYSA-N	353.422	2.017	10	10	FECE	
COc1ccc(CNC(=O)NCCc2cc(O)c(O)cc2C)cc1OC	170294599	WVMBVMBMKLTIRJ-UHFFFAOYSA-N	360.410	2.465	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(C(=O)c2cccs2)CC1	180888743	RCZYHIVKZYSACM-GQCTYLIASA-N	358.419	2.157	10	10	FECE	
C[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)CCN1CCO	190237380	LTYLUYWHWQVQGD-KRWDZBQOSA-N	356.466	2.470	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCCCN(C)C)CC2)cc1Cl	242774386	DTUHDWAOIVCKID-UHFFFAOYSA-N	354.882	2.132	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)Cc1cc(C)[nH]n1	287638937	OOVIGLPPORIISO-CQSZACIVSA-N	372.469	2.300	10	10	FECE	
CCc1cccc(CNC[C@@]2(CO)COCCN2Cc2ccccc2)c1O	827533794	YDCBJOYUJDCQKM-JOCHJYFZSA-N	370.493	2.308	10	10	FECE	
CN(C/C=C\c1ccc(N(C)C)cc1)CC(=O)N1CCC[C@H](C(=O)O)C1	901625229	DDDRDKFXZWFZTK-AATOQMJSSA-N	359.470	2.021	10	10	FECE	
COC(=O)C1CC2(C1)CN(Cc1c(O)ccc(Cl)c1F)C[C@H]2C(=O)O	903695407	XDCPREQLIGXWQI-LGNJSRAPSA-N	371.792	2.271	10	10	FECE	
COCCN(CC(=O)OC)C(=O)Cc1cc(C)n(-c2ccccc2)c1C	827640618	ZGHOGGFMNZMIKV-UHFFFAOYSA-N	358.438	2.285	10	10	FECE	
O=C([C@H](O)[C@](O)(c1ccccc1)C(F)(F)F)N1Cc2cccc(O)c2C1	913726397	OBHOXAXEUQRNLY-DOTOQJQBSA-N	367.323	2.045	10	10	FECE	
COc1ccc(N2CCN(CCN[C@H](C)c3cncnc3C)CC2)cc1	848524549	GCUKKJAWQOVDSV-MRXNPFEDSA-N	355.486	2.266	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)c3ccc(OC)cc3)C2)cc1	849416253	NIPKACWQTNCVHJ-AWEZNQCLSA-N	362.451	2.261	10	10	FECE	
N=c1cc[nH]cc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	844178192	LUOSUERJMZMKJX-UHFFFAOYSA-N	362.380	2.494	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H](OC)c3ccc(O)cc3)C2)cc1	855228029	UEACXFCBXQJSCD-HNAYVOBHSA-N	356.422	2.483	10	10	FECE	
COC(=O)C[C@@H]1CCCN1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	852455608	UXYDKFKVJSWKML-HOCLYGCPSA-N	361.442	2.011	10	10	FECE	
COc1ccc(CNC(=O)NC[C@@]2(C)COc3ccccc3O2)c(O)c1	858674323	JZUBLMOZIDWALF-IBGZPJMESA-N	358.394	2.430	10	10	FECE	
Cc1ccc(O)c(CN2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)c1	853249770	VUEVSYKLXIXYNR-INIZCTEOSA-N	355.486	2.213	10	10	FECE	
CNC(=O)c1cccc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	854241240	JMDWQYLKWKSLTL-MRXNPFEDSA-N	368.437	2.455	10	10	FECE	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)N1CC[C@@H](O)[C@H](F)C1	931783825	PCMVZZZRVGDUAX-TZMCWYRMSA-N	355.373	2.333	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H](C)O[C@@H]3C)cc2F)CC1	865201928	KPHJBFNZQNZJSL-BFYDXBDKSA-N	363.477	2.397	10	10	FECE	
Cc1cc(C(=O)NC[C@H](C)S(N)(=O)=O)c(C)n1-c1ccc(Cl)cc1	779273541	KXIOXXUJWIGSLP-NSHDSACASA-N	369.874	2.154	10	10	FECE	
Cn1cc(-c2cc3c(nn2)CCN(Cc2cc(F)cc(F)c2O)C3)cn1	895373403	JKVRMWIDYZAANU-UHFFFAOYSA-N	357.364	2.419	10	10	FECE	
Cc1ccc(C(=O)NC[C@@H](CO)Cc2ccc(F)c(F)c2)c(O)c1O	791493312	LEDQVZYYENQUAW-LBPRGKRZSA-N	351.349	2.265	10	10	FECE	
Nc1ccccc1S(=O)(=O)NCc1cc(Br)ccc1O	796190194	BSJAOWNTNMTKIG-UHFFFAOYSA-N	357.229	2.215	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3CC[C@](O)(CN(C)C)C3)c2C)cc1	1347428694	KSZFCWLSDBEPRK-NRFANRHFSA-N	371.481	2.241	10	10	FECE	
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NCc1cccc(O)c1O	1528771789	YPVXQWFILQOJRM-OAHLLOKOSA-N	374.462	2.266	10	10	FECE	
O=C(Nc1cn[nH]c1)[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1	1468257518	NYGYATQNZZLBOX-SECBINFHSA-N	372.406	2.136	10	10	FECE	
COC(=O)c1cc(OCc2cc(=O)n3ccccc3n2)ccc1N(C)C	1473076891	BPVCEHAWEKQHOP-UHFFFAOYSA-N	353.378	2.126	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1ccc(O)cc1	1546151678	COVJNKUTBRBNAV-UHFFFAOYSA-N	363.797	2.496	10	10	FECE	
CC(C)[C@@H](C(=O)NCc1c(O)cccc1F)N1C(=O)c2ccccc2C1=O	1471975207	UCEGHCHVYRKXCO-KRWDZBQOSA-N	370.380	2.468	10	10	FECE	
Cc1ccc(F)c(-n2cc(O)c(C(=O)NCc3c(O)cccc3O)n2)c1	1472062988	BAPPFPFHXBBVDJ-UHFFFAOYSA-N	357.341	2.367	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cc2n(n1)CCC[C@@H]2O	1557063387	MYKIETXJWIQBPS-KUHUBIRLSA-N	356.470	2.446	10	10	FECE	
NC(=O)NCc1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1	1638569892	ONQKZTKJHHFXHG-UHFFFAOYSA-N	350.378	2.039	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)[C@@H]2CNC(=O)Cc1ccc(N)cc1	2138811153	XLXWRTSLTROAHY-ZACQAIPSSA-N	359.470	2.431	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)NC[C@]3(C)CCCC[C@H]3O)cc2)CC1	1675580727	SVSRGFOVMZGHSL-CTNGQTDRSA-N	374.529	2.179	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H]2CO[C@H](C)CN2C(=O)OC(C)(C)C)c1O	2139759430	XNLGLBTVRJHRPL-HIFRSBDPSA-N	364.442	2.341	10	10	FECE	
Cc1cccc(CNC(=O)[C@@]2(CO)CCCN2C(=O)OC(C)(C)C)c1O	2139759965	MPUUFFMPCNQDLU-IBGZPJMESA-N	364.442	2.079	10	10	FECE	
COCCN1CCC[C@@H]1CN[C@@H](C)c1ccc(N2CCC(O)CC2)cc1	163277044	AFORNORYULNKGC-FXAWDEMLSA-N	361.530	2.409	10	10	FECE	
C[C@@H]1CCCN1C1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1	154900341	FLMNDJBNBSVTSU-GFCCVEGCSA-N	360.414	2.379	10	10	FECE	
Nc1ccc(OC(=O)Nc2ncccc2OCC(=O)N2CCCC2)cc1	1858685901	HGBPCCSGEJRZIL-UHFFFAOYSA-N	356.382	2.276	10	10	FECE	
CN(C)c1ccc([C@H](CN)N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1	1881342054	PUMZXFUALUYCAT-KRWDZBQOSA-N	360.502	2.305	10	10	FECE	
CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]1(O)[C@H](N)c1ccc2c(c1)CCN2C	1888020800	CAMNAZJBGVHNNW-QKLQHJQFSA-N	361.486	2.439	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H](NC(=O)OC(C)(C)C)c1cnn(C)c1	1968857751	RLOAUCNORPGPOS-MRXNPFEDSA-N	374.441	2.350	10	10	FECE	
NCc1cnn(Cc2ccc(Cl)cc2O)c1I	2070410666	ICFCAAHSOBBTCF-UHFFFAOYSA-N	363.586	2.354	10	10	FECE	
CC(C)S(=O)(=O)CCN(C)c1cc(Br)c(CN)cc1F	2170434934	ANANCLKFDOWEIA-UHFFFAOYSA-N	367.284	2.306	10	10	FECE	
C[C@@H](C[S@](C)(=O)=NC(=O)c1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2054418620	VEBAMUKDAODXKE-FORDYWAESA-N	372.443	2.249	10	10	FECE	
CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060611086	OYIIGXXFXGGZKT-CHWSQXEVSA-N	354.455	2.133	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@]1(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])CCOC1	2060633878	SODTXRCFLOGNGV-MLGOLLRUSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(CNCc2ccc(F)cc2O)CC1	2084180595	ZOQYUWXBHPTHLW-UHFFFAOYSA-N	354.422	2.383	10	10	FECE	
CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(Cc3ccc(N)cc3)C2)CC1	2106676078	WUCYJQVKBZYJIN-GOSISDBHSA-N	360.502	2.396	10	10	FECE	
CC(C)(C)OC(=O)N1CCOCC[C@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2257620573	YCHMJYWPPFLXJA-STQMWFEESA-N	353.423	2.171	10	10	FECE	
CC[C@@H](C)NC=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	2297315641	SNOHFXDQKPFPAI-SECBINFHSA-N	366.215	2.304	10	10	FECE	
COc1ccc(N2C[C@](O)(c3ccc([N+](=O)[O-])cc3)[N+]3=C2SCC3)cc1	22405073	YJXJSSRBMOIXFC-SFHVURJKSA-N	372.426	2.384	10	10	FECE	
COc1ccc(O)c(CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)c1	114590520	RKRHVRIIYYVPCB-KRWDZBQOSA-N	357.454	2.373	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1O	177232348	CAAPMUDRZLLDPC-PXAZEXFGSA-N	352.862	2.401	10	10	FECE	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NCCN1CCOCC1	22042233	AILSOHJPCWXRQW-VKAVYKQESA-N	360.433	2.134	10	10	FECE	
CCc1cc(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)[nH]n1	92010695	WZJKBZQSOHFNSH-UHFFFAOYSA-N	367.497	2.434	10	10	FECE	
CC[C@@H](C)N(CCC(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)=O	243530770	ODFYRJYKRBFOTG-MRXNPFEDSA-N	361.486	2.381	10	10	FECE	
COc1cccc(CNC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)c1O	363492642	GFMXIDDDNABEPO-OAHLLOKOSA-N	374.462	2.312	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1CCC(=O)Nc1ccc(N)cc1	2162934622	RLJAEMPEKVCSCR-RISCZKNCSA-N	372.391	2.129	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CC(OC(=O)NC(C)C)C2)c([N+](=O)[O-])c1	808079470	GXFZEPIZKAKHHU-FNORWQNLSA-N	363.370	2.104	10	10	FECE	
Cc1cn2ccnc(C(=O)NCc3cc(Br)ccc3O)c2n1	804735138	MRAQVKUJROERHG-UHFFFAOYSA-N	361.199	2.436	10	10	FECE	
OCC1(CO)CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1	827475200	VEVIAQVPEACCQQ-UHFFFAOYSA-N	352.478	2.426	10	10	FECE	
C[C@@H](c1cnn(C)c1)N(C)C(=O)/C=C\c1ccc(N2CCOCC2)cc1	588390754	XXLFGKFPJANPAC-HWYHOQROSA-N	354.454	2.490	10	10	FECE	
C[C@H]1CN(CCO)CCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	825337448	GRVBAAYJOJXOJO-INIZCTEOSA-N	362.474	2.084	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3nn4c(c3C)OCCC4)CC2)cc1F	826778262	VCCSZLCSJXAXQV-UHFFFAOYSA-N	374.416	2.084	10	10	FECE	
O=C(N[C@@]1(c2c(O)cc(O)cc2O)C[C@H]1C(=O)O)OCc1ccccc1	1952773983	CBDQHXVYVBLSEF-SGTLLEGYSA-N	359.334	2.030	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2C[C@H](C)O[C@H](C(=O)OC)C2)c1O	844740190	FOMJICMTCKJHJR-SJCJKPOMSA-N	373.405	2.094	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1	917657906	HMRUQHMTRBOMEQ-HZPDHXFCSA-N	369.531	2.317	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NCCN2CCCC2=O)c1O	848556130	NOFRVCFGMHEEBD-SNVBAGLBSA-N	357.248	2.436	10	10	FECE	
CC[C@H](NCC(=O)NCC(=O)NCc1ccccc1)c1ccc(C)cc1O	926965766	VKUMOPHRIZERQK-SFHVURJKSA-N	369.465	2.174	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](c3cccnc3)C3CC3)nc12	753914622	QMYRZNVASBXHIZ-KRWDZBQOSA-N	367.409	2.248	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cc(O)nc(C4CC4)n3)C2)cc1	855223506	AYUBLVOPUZJXRF-ZDUSSCGKSA-N	354.410	2.077	10	10	FECE	
COc1ccc(N2CCN(C(=O)COC(=O)[C@@H]3CCCC34CC4)CC2)cc1	860177883	ZNNBABLESXOEAA-SFHVURJKSA-N	372.465	2.467	10	10	FECE	
COC(=O)[C@]1(OC)CCN(Cc2cc(Br)cc(C)c2O)C1	862475516	NJRXQWQFDFJIRH-HNNXBMFYSA-N	358.232	2.227	10	10	FECE	
C[C@]1(CCNC(=O)C(=O)NCCCSc2nccs2)CC1(F)F	1118616703	VXOWEDVFYQUTPT-ZDUSSCGKSA-N	363.455	2.293	10	10	FECE	
CC[C@H](COCC1CC1)NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	1118630727	FMXZPFMTTPUVCM-WMLDXEAASA-N	361.486	2.251	10	10	FECE	
COC(=O)[C@H](NCc1cc(C)cc(Br)c1O)c1ccn(C)n1	787437816	DOOKIJUAGQQUFO-CYBMUJFWSA-N	368.231	2.201	10	10	FECE	
CS(=O)(=O)CC1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1	897832447	ZHJRDXDWHWIZDS-UHFFFAOYSA-N	369.464	2.209	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cncc(C(C)=O)c3)CC2)cc1F	896897959	GAYRPPJAUGLOOU-UHFFFAOYSA-N	357.385	2.394	10	10	FECE	
CN(Cc1ncnn1CC(F)F)C(=O)c1cc2cc(O)c(O)cc2s1	897598084	HMSHUKRNNAVQFV-UHFFFAOYSA-N	368.365	2.441	10	10	FECE	
CCc1occc1C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	797615785	HBYGQFSVSKHVLL-UHFFFAOYSA-N	357.454	2.403	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NCc3ccc4c(c3)CCO4)CO[C@H]2C1	2121660206	BUJMIWORGFOOHN-BQFCYCMXSA-N	360.454	2.345	10	10	FECE	
CCN1CCC[C@H]1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1256235950	BDQVJBIOHYGEBF-RBUKOAKNSA-N	361.534	2.139	10	10	FECE	
Cn1cc(-c2nn(C)cc2C(=O)NCc2ccc3cccnc3c2O)cn1	1451945589	BBNMEJVAPCQKPL-UHFFFAOYSA-N	362.393	2.004	10	10	FECE	
O=C(NCc1ccc(O)cc1O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1	1469159487	KMNZCCOZCIMZLP-GFCCVEGCSA-N	360.797	2.421	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3CSC[C@@H]3C)CC2)c(OC)c1	1478612491	UXDDZYUGOYMRER-DZGCQCFKSA-N	365.499	2.287	10	10	FECE	
CN1CCCc2cc(CNC(=O)Cn3nnnc3-c3ccccc3)ccc21	1625848211	ZKVGEDIRZNJUHK-UHFFFAOYSA-N	362.437	2.039	10	10	FECE	
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(O)ccc1O	1637126204	OHJPLCXSLDPEBN-AWEZNQCLSA-N	368.430	2.032	10	10	FECE	
O=C(N[C@H]1C[C@@H](C(=O)NCc2ccc(O)cc2O)C1)OCc1ccccc1	1570462293	MRIBYGGATHSBCT-IYBDPMFKSA-N	370.405	2.419	10	10	FECE	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(O)cc1O	1643108049	RSJDMISYZFGXSF-MRXNPFEDSA-N	358.394	2.071	10	10	FECE	
C[C@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1O)N(C)C	1761403126	FXPYPJJMEYUZIF-CQSZACIVSA-N	367.457	2.027	10	10	FECE	
CC[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862309729	ONJRNOVTXOBARV-QGZVFWFLSA-N	361.486	2.285	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1	269502201	VHQDTIOGQMDWQN-CQSZACIVSA-N	364.442	2.404	10	10	FECE	
C[C@H](NCc1cc(Br)cc(F)c1O)[C@H]1CCS(=O)(=O)C1	2146102824	IVBFGTOMCVHUDZ-IUCAKERBSA-N	366.252	2.207	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCN(CC(=O)Nc3ccc(N)cc3)C[C@@H]2C1	2163047568	ISRXIPJSGXFSLV-LSDHHAIUSA-N	374.485	2.396	10	10	FECE	
CN[C@@H](C)c1ccc(N2CC[C@@H](S(C)(=O)=O)C2)c(Br)c1	2179926902	RBHNQKKGEDDOOV-CMPLNLGQSA-N	361.305	2.353	10	10	FECE	
C[C@@H](CNC(=O)COc1ccc(N)cc1)CN(C)C(=O)OC(C)(C)C	2044208568	LDNZHLXHADGQNY-ZDUSSCGKSA-N	351.447	2.267	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N[C@H](C)c1cc(O)ccc1O	2058678394	AZEBMDQUWSVBIV-DIOULYMOSA-N	352.431	2.383	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C[C@H]1CCCO1)C(=O)N1CC[C@H](N=[N+]=[N-])C1	2060636769	BIKBTAWZBAUPFP-YNEHKIRRSA-N	353.423	2.360	10	10	FECE	
CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(CN=[N+]=[N-])CC1	2060611740	XVBBUSPFPHRNKW-GFCCVEGCSA-N	354.455	2.038	10	10	FECE	
CC(C)(C)OC(=O)NC12CCC(C(=O)C(=O)C[C@H]3C[C@H](N)C3)(CC1)C2	2065321469	UIXYXIVIMIHYGN-HYJVTKEYSA-N	350.459	2.480	10	10	FECE	
CN(Cc1ccccc1)[C@@]1(CNC(=O)Cc2ccc(N)cc2)CCOC1	2098955238	BDFTZMONXLQZOA-OAQYLSRUSA-N	353.466	2.219	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)C1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1	2339544092	AYERRQJAOSNOEJ-UHFFFAOYSA-N	366.466	2.086	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@H]1N(c1cc3c(cc1N)OCC(=O)N3)C2	2356122795	LYNTWWAQJAOWEJ-JUKMUDQWSA-N	374.441	2.092	10	10	FECE	
COCCCCS(=O)(=O)NCc1ccc(N2CCSCC2)cc1	133574945	UDAOACWSFLDKEM-UHFFFAOYSA-N	358.529	2.086	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN(C)C(=O)c3ccccc3)CC2)cc1	44667838	BNADWJWOIWXFNP-UHFFFAOYSA-N	367.449	2.116	10	10	FECE	
C[C@H]1CN(Cc2ccccc2)CCN1C[C@@H](O)COc1ccc(N)cc1	382689820	QAGNEPMBKMCTKC-FXAWDEMLSA-N	355.482	2.215	10	10	FECE	
O=c1oc2cccnc2n1CCN(Cc1ccccc1O)C[C@@H]1CCCO1	93193163	ORWULYAARRJZTE-INIZCTEOSA-N	369.421	2.376	10	10	FECE	
COC(=O)[C@@H](C)CN(C(=O)/C=C\c1ccc(N2CCOCC2)cc1)C1CC1	255856074	XQWQLDRDEYPRLR-AVFOEOQDSA-N	372.465	2.337	10	10	FECE	
COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])c(OC)c1O	278382456	LXYPWWXJUVOSGW-OSMZGAPFSA-N	350.371	2.083	10	10	FECE	
CC(=O)C(=O)COC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1	808493748	NLHWQNIVRWMSEJ-UHFFFAOYSA-N	373.365	2.450	10	10	FECE	
COc1ccc(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c(O)c1	813554803	SRYIUUMXZTXYCS-UHFFFAOYSA-N	352.293	2.446	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)Nc3nn(C)cc3C)cc2F)CC1	826064858	QBYMPZRGGSIDFL-UHFFFAOYSA-N	374.464	2.331	10	10	FECE	
Cc1ccc(N(CC(C)C)C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)cc1	837072314	UYXRZVSBTIGZOX-FLIBITNWSA-N	355.438	2.095	10	10	FECE	
Cc1cc(Cl)cc(CN2CCC[C@@H](CNC(=O)[C@H]3CCCN3)C2)c1O	843058506	UTJZIDYWUIJIMZ-WMLDXEAASA-N	365.905	2.434	10	10	FECE	
O=C(Nc1cccc(N2CCOCC2)c1)c1ccccc1Cn1cncn1	742567214	VSDKYMNYDWODNS-UHFFFAOYSA-N	363.421	2.415	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)c(OC)c1	913482566	QSZYBUINXLJJCV-APWZRJJASA-N	360.454	2.168	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCCC[C@H]3[C@H](C)CO)C2)cc1	854297336	QGSVZCXMQXWAPC-GJYPPUQNSA-N	361.486	2.466	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@@](C)(O)c3ccccc3)C2)cc1	852453187	HANAFPFCYQYFBV-LAUBAEHRSA-N	369.465	2.481	10	10	FECE	
COc1ccc(O)c(CNC(=O)c2cc(C)n(-c3ccn(C)n3)c2C)c1	857126271	WNXRBENLRHGAPC-UHFFFAOYSA-N	354.410	2.472	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCCCN3C(=O)C(C)C)C2)cc1	855231364	VVEITQPUURAUMB-VQIMIIECSA-N	373.497	2.427	10	10	FECE	
Cc1ccc([C@H](C)N[C@H]2CCN(c3ccc4nncn4n3)C2)c(O)c1C	858489551	GMNACMFHXMYLKF-GJZGRUSLSA-N	352.442	2.376	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@H](CO)c3cccc(F)c3)C2)cc1	852456693	ZYSKBCQELCWVHZ-VQIMIIECSA-N	373.428	2.446	10	10	FECE	
CC1(C)CC[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)O1	787402506	KRJFXUXQNJYAQO-KRWDZBQOSA-N	350.434	2.361	10	10	FECE	
Cc1cc(CN2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC2)no1	1135802384	OLAIHNZQLZINES-UHFFFAOYSA-N	356.386	2.103	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H](CO)[C@@H]3CCOC3)ccc21	1137913721	IGJUPXXIABCBGA-SJLPKXTDSA-N	360.454	2.032	10	10	FECE	
CC1(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCC(=O)CC1	1141996176	LHQDUHIPYZRRCZ-MRXNPFEDSA-N	371.481	2.154	10	10	FECE	
COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)c1sccc1-n1c(C)ccc1C	1304091371	VZNFRDWZROCRBX-CQSZACIVSA-N	372.450	2.393	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](NC(=O)Nc2ccc(N)cc2)C1	2116274566	PROOIUPDIRLHLT-WFASDCNBSA-N	364.446	2.008	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1	2132413172	KPGKZSOXHCAWCK-ZYHUDNBSSA-N	366.414	2.227	10	10	FECE	
Cc1cc(Cn2c(-c3sccc3O)nnc2N2CCC3(COC3)C2)no1	1352090165	KEPLDTZTDQTYHA-UHFFFAOYSA-N	373.438	2.284	10	10	FECE	
O=C(Cc1ccc(NC(=O)C(F)(F)F)cc1)NCc1cc(O)ccc1O	1455354446	NHFHUMZSUWHBKM-UHFFFAOYSA-N	368.311	2.458	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCCN(c2ccccc2F)C1=O	1295081531	QZJUDBKARRZXHR-AWEZNQCLSA-N	358.369	2.091	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCC(=O)N2CCc3ccccc3C2)cc1	1546236814	XYGFMPGZWPLELT-UHFFFAOYSA-N	365.393	2.164	10	10	FECE	
CCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ccc(N=NC(N)=O)cc2)C1	1702843421	DCNKKAGCJAYXGD-TZMCWYRMSA-N	359.430	2.473	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCCOc1ncccc1C(F)(F)F	1545903284	SNHQYDRDDGNKIO-UHFFFAOYSA-N	356.300	2.249	10	10	FECE	
CCOC(=O)C1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCC1	1627464256	KVPMKISAOBCBHI-QGZVFWFLSA-N	361.486	2.205	10	10	FECE	
COc1c(NC(=O)Cc2ccc(O)c(O)c2)cc(Cl)cc1C(N)=O	1623880218	LGQLZWNDUVHHIW-UHFFFAOYSA-N	350.758	2.040	10	10	FECE	
C[C@H](CC(=O)NCc1cccc(O)c1O)S(=O)(=O)c1ccc(F)cc1	1633509236	RVEIKLVIRRCCAS-LLVKDONJSA-N	367.398	2.106	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1ccc(S(=O)(=O)C(F)F)cc1	1637122882	QMCJMZYBYQKRHH-UHFFFAOYSA-N	357.334	2.024	10	10	FECE	
O=C(N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1c(F)ccc(O)c1O	1638530322	AHWIEISWXAGKNJ-MRVPVSSYSA-N	366.295	2.050	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@@H]2CCC(=O)N2)n1CC1(C)CC1	1729419107	MWKRAESWWFUQRA-AWEZNQCLSA-N	355.442	2.371	10	10	FECE	
Cc1cc(CC(=O)NCc2cc(O)nc(O)n2)c(C)n1-c1ccccc1	1639046152	UKJOJSSUTHQOFD-UHFFFAOYSA-N	352.394	2.154	10	10	FECE	
O=C(NCc1cccc(Br)c1O)c1ccc2oc(O)nc2n1	1568606028	WGALMDQSDJLNDG-UHFFFAOYSA-N	364.155	2.327	10	10	FECE	
NC(=O)c1cc(N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ncn1	1642226509	FJXALXBXKJFESW-ZDUSSCGKSA-N	361.833	2.011	10	10	FECE	
CC(=O)[C@H](CCO)Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O	207288744	ZUFHNYGPBPJGGX-GFCCVEGCSA-N	354.358	2.003	10	10	FECE	
CNCc1ccc(N2CCC[C@@H]2CS(C)(=O)=O)cc1Br	2151274715	UHNNPKXOMZNXCE-CYBMUJFWSA-N	361.305	2.182	10	10	FECE	
C[C@@H](N)c1ccc(N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)cc1Br	400886821	JQQDDRNAPMLJNT-GMTAPVOTSA-N	361.305	2.481	10	10	FECE	
NS(=O)(=O)c1cccc(NCc2ccc(Br)cc2O)c1	701094114	OYUUWZLWKKMYJY-UHFFFAOYSA-N	357.229	2.414	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)Cc1ccc(N)cc1	2044641612	TVDUNXRDILUZDR-CYBMUJFWSA-N	369.487	2.040	10	10	FECE	
Oc1cccc2c1[C@@H](N=c1[nH]ccnc1I)CC2	2057936002	VHLSAXHIFNFUAU-VIFPVBQESA-N	353.163	2.308	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C1	2060632677	DVLJVYJJKJICRT-CHWSQXEVSA-N	353.423	2.314	10	10	FECE	
CCOc1cccc(CN[C@H]2COC[C@@H]2CNC(=O)OC(C)(C)C)c1O	2097862467	XCUPYCHIVRKDGB-GJZGRUSLSA-N	366.458	2.420	10	10	FECE	
CN1CCc2cc([C@@H](N)CN3CC(CNC(=O)OC(C)(C)C)C3)ccc21	2113000386	YGWNZUHWJCOIJJ-KRWDZBQOSA-N	360.502	2.135	10	10	FECE	
O=C(C=Cc1ccc(C(=O)NC2CC2)cc1)NCc1ccc(O)c(O)c1	2301402071	JZYXMLGDBXQXFY-UHFFFAOYSA-N	352.390	2.320	10	10	FECE	
CC(C)(C)OC(=O)NCC(F)(F)C(=O)N1CCc2cc(O)c(O)cc2C1	2341194393	SGYLKOLVOMJTHU-UHFFFAOYSA-N	372.368	2.143	10	10	FECE	
COc1ccc(C(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	106495319	QCDFEUOKJJVJDZ-UHFFFAOYSA-N	372.396	2.170	10	10	FECE	
C[C@H](C(=O)NC(=O)NCCc1cccs1)N(C)Cc1ccccc1O	171936837	KWNNIEJTIIDGTL-CYBMUJFWSA-N	361.467	2.343	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCN(c4cccs4)CC3)cc2N1	301679935	SGZUUEGCDAJMTC-UHFFFAOYSA-N	360.395	2.314	10	10	FECE	
C[C@H](NCCCN1CCCN(C)CC1)c1ccc(N2CCC(O)CC2)cc1	128245186	NTTGDGAZVZTCRO-IBGZPJMESA-N	374.573	2.326	10	10	FECE	
CC(C)c1nnc2n1C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)CC2	181535819	HABBCOAVFGMPBV-AWEZNQCLSA-N	374.464	2.421	10	10	FECE	
Cc1cc(CNC(=O)NCCCSc2nccs2)nc(N(C)C)n1	191075320	XGIUEHGJWUVMQF-UHFFFAOYSA-N	366.516	2.289	10	10	FECE	
CNC(=O)[C@@H]1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1	421648409	AVMUGSUFFNRLLV-MRXNPFEDSA-N	357.454	2.113	10	10	FECE	
N#Cc1ccc(CN2CC[C@H](NCc3cc([N+](=O)[O-])ccc3O)C2=O)cc1	192242692	QFLCTNYVYBKWPC-KRWDZBQOSA-N	366.377	2.063	10	10	FECE	
CCN1CCN([C@H]2CCN(Cc3cccc(Br)c3O)C2)CC1	93133081	MLRVCYKOGFSGGR-HNNXBMFYSA-N	368.319	2.367	10	10	FECE	
CC1(C)OC[C@@H](CNC(=O)NCc2cc(Br)ccc2O)O1	807095429	DCQOCXGDLZUWAY-LLVKDONJSA-N	359.220	2.105	10	10	FECE	
COc1ccc(N2CC[C@H](CNS(=O)(=O)[C@H]3CCO[C@H](C)C3)C2)cc1	819888483	WNAVQLZKGNSQMB-RKVPGOIHSA-N	368.499	2.008	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)NC3(C)CCCC3)CC2)cc1	728747991	BFMDGCNOYGGGJC-UHFFFAOYSA-N	360.502	2.449	10	10	FECE	
CN(C)c1ccc(/C=C/CN[C@H]2CCCN(c3ccn(C)n3)C2=O)cc1	835043348	PJKOLDZUJHNMRG-JXTAAOLFSA-N	353.470	2.285	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2c([nH]1)CCOC2	837321505	WOSNOPAYRPITSL-UHFFFAOYSA-N	355.438	2.196	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1	849546592	CBBGQQLGDKHCTJ-PMACEKPBSA-N	369.513	2.146	10	10	FECE	
O=C(O)[C@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1	852951232	PHXMDPOUAFCQCD-DOMZBBRYSA-N	368.380	2.484	10	10	FECE	
O=S(=O)(NCc1c(O)cccc1F)c1ccc2c(c1)OCCCO2	921452297	KUZLPATZXSKXTA-UHFFFAOYSA-N	353.371	2.171	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CCn3c(C)csc3=O)C2)cc1	855229335	MYUOUZNKBNIQOP-AWEZNQCLSA-N	361.467	2.012	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1onc2c1CCCC2	856215970	QHBWQKQHLSIKLP-UHFFFAOYSA-N	355.438	2.445	10	10	FECE	
COC(=O)c1ccc(S(=O)(=O)NCc2ccccc2O)c(Cl)c1	751150608	JGWAUOKMNFZJEZ-UHFFFAOYSA-N	355.799	2.311	10	10	FECE	
CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N2Cc3cccc(O)c3C2)C1	871205013	OJTMMUFKAMFCNR-HNNXBMFYSA-N	350.390	2.439	10	10	FECE	
COc1cccc(N2C[C@@H](NC(=O)/C=C\c3ccc(O)c(O)c3)CC2=O)c1	779510192	JAANZONRSDVAKH-QPBFKRLHSA-N	368.389	2.041	10	10	FECE	
COc1ccc(N2CCC(NC(=O)Nc3cc(OC)nn3C)CC2)cc1	881251680	KWWPUCVVPQJRGZ-UHFFFAOYSA-N	359.430	2.228	10	10	FECE	
CN(C)c1ccc(CNC(=O)CC[C@H]2CC[C@@H](C3OCCO3)O2)cc1F	895979924	BFKRJPOIKFRLJO-PBHICJAKSA-N	366.433	2.209	10	10	FECE	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H]1[C@H]2COC[C@H]21	792968613	WGMKMXQQBZCMAK-ZSHCYNCHSA-N	367.396	2.201	10	10	FECE	
COc1cccc(O)c1CN[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO	2116271758	ZCIHAHRBKWHUOH-DZGCQCFKSA-N	366.458	2.108	10	10	FECE	
O=C(C(=O)N1CCC[C@H]([C@H]2CCCCO2)C1)N1Cc2cccc(O)c2C1	1332073522	FLAAIXHEIWUARJ-MAUKXSAKSA-N	358.438	2.042	10	10	FECE	
CN1CCCc2cc(CNC(=O)C(=O)NCC3(C)CC(F)(F)C3)ccc21	1331649096	JJXRWWXYCXRKIR-UHFFFAOYSA-N	365.424	2.237	10	10	FECE	
C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc(O)c(O)c(O)c2)C1	2132348093	DTLISYNDENSIFY-AWEZNQCLSA-N	356.422	2.398	10	10	FECE	
C[C@H](NC(=O)C(=O)N1CCC(O)(C2CCC2)CC1)c1ccc(N(C)C)cc1	1354674335	HBQJHQCJNZDZNQ-HNNXBMFYSA-N	373.497	2.083	10	10	FECE	
CCc1nc(CCn2c(CC)nnc2N(C)Cc2ccccc2O)no1	1292711800	UDTGSDYMCOKLMO-UHFFFAOYSA-N	356.430	2.371	10	10	FECE	
COc1ccccc1N(C)C(=O)C1=C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1	2136284132	CDICSPMZPBMPHR-UKRRQHHQSA-N	362.426	2.242	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@H]2c3ccccc3OC[C@H]2CO)cc1	1472308180	YJPXOTZOOJEZLH-MLGOLLRUSA-N	354.366	2.321	10	10	FECE	
Cc1nnc([C@@H](C)NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)o1	1565488012	LAPYJYSNUGGYFA-CYBMUJFWSA-N	373.457	2.147	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)C2(CC2)C1	1648785385	VXMDUCSTCOTHTM-HNNXBMFYSA-N	362.426	2.156	10	10	FECE	
CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@]1(O)CCN(C)C1	1752614935	AHYQJDJQDKSVQF-QRWLVFNGSA-N	373.501	2.200	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2cc3c(N(C)C)ncnc3n2C)cc1F	1598029916	YGJCJUABXJHUQK-UHFFFAOYSA-N	370.432	2.169	10	10	FECE	
COCCN1CCC[C@@H]1CNC(=O)NCCCSc1nccs1	153439361	IOPLKQUFPYTFFY-CYBMUJFWSA-N	358.533	2.035	10	10	FECE	
CO[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1O	2060258103	XZYSVGJLHCHNPE-SWLSCSKDSA-N	352.431	2.279	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)NCC2(CN=[N+]=[N-])CC2)C1	2060610967	NVVYTDSJKLOIFV-HNNXBMFYSA-N	353.423	2.219	10	10	FECE	
COc1ccc([C@H](C)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(O)c1	2062450675	INUBTTRNQKSKGM-PJODQICGSA-N	352.431	2.032	10	10	FECE	
CN(CCCN(C)C(=O)OC(C)(C)C)CC(=O)N(C)c1ccc(N)cc1	2106654520	KDAIRTVPEFXLHG-UHFFFAOYSA-N	364.490	2.420	10	10	FECE	
CCN[C@@H]1C(=O)Nc2cc(N(CCC(N)=O)Cc3ccccc3)ccc21	2095890829	VTEAJGGAHIERNL-IBGZPJMESA-N	352.438	2.171	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](COc2ccc(N)cc2)[C@H]1OC	2218296260	SICHWWVSEIQIRY-ARFHVFGLSA-N	352.431	2.297	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2218746513	XJAFGKWNHPOQNA-WQGACYEGSA-N	353.423	2.096	10	10	FECE	
COc1ccc(NC=C2C(=O)NC(=O)N(Cc3cccs3)C2=O)cc1	2293382713	ZYKBYMVWSFCXRR-UHFFFAOYSA-N	357.391	2.331	10	10	FECE	
COc1cccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1O	2313558350	YSFNLLNKSLDBOD-UHFFFAOYSA-N	356.309	2.206	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)N3CC[C@@H](CN=[N+]=[N-])C3)[C@@H]2C1	2331230631	XBKUZVYXGNAKLS-FQUUOJAGSA-N	365.434	2.027	10	10	FECE	
C[C@H](O)CCCN1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C	1264176801	OUEWNMOEBXIURF-ZENOOKHLSA-N	361.446	2.203	10	10	FECE	
CN1[C@H]2CC[C@H]1CN(C(=O)/C=C\c1ccc(N3CCOCC3)cc1)CC2	255063105	SOENWGLHLCPQPT-BHHNRBPZSA-N	355.482	2.232	10	10	FECE	
Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1ccc(N2CCOCC2)cc1	375265128	FNPMPHJGWREGRD-FQEVSTJZSA-N	370.497	2.447	10	10	FECE	
CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)NCc1ccc(N2CCCC2)cc1	284118318	TVEFYGVVILDABJ-FUHWJXTLSA-N	363.502	2.244	10	10	FECE	
COC(=O)CSCCC(=O)NCc1cc(Br)ccc1O	804737660	NMFQDJLLPSQBRW-UHFFFAOYSA-N	362.245	2.067	10	10	FECE	
COC(=O)[C@@H](NO)c1cc(Br)cc(Br)c1O	382635315	BCHUASLXLBVZIK-ZETCQYMHSA-N	354.982	2.110	10	10	FECE	
COc1cc(F)ccc1N1CCN(C(=O)c2c(F)ccc(O)c2O)CC1	825862654	DZUCUMWJGIJMOL-UHFFFAOYSA-N	364.348	2.347	10	10	FECE	
CCOC(=O)[C@@](C)(O)CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C	832168964	UCROPNGYTKPQID-FQEVSTJZSA-N	358.438	2.067	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N3C[C@@H]4C[C@H]3C[S@]4=O)cc2)CC1	844964722	JCLLYKKYNWCBCY-DPOKWSEZSA-N	361.511	2.338	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN(C[C@H](C)OC)C(C)C)CC2)cc1	740888033	KZRYRHREBDCUBY-KRWDZBQOSA-N	363.502	2.089	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc(S(C)(=O)=O)c(C)o1	859419488	NUMLKXYXZLAEPD-UHFFFAOYSA-N	350.440	2.296	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](O)c3ccccc3F)C2)cc1	852451706	AXGLAACKLFYTMX-KUHUBIRLSA-N	373.428	2.446	10	10	FECE	
O=C(CCCCN1C(=O)c2ccccc2C1=O)NCc1ccccc1O	754209487	VVNFRGUGWBHALX-UHFFFAOYSA-N	352.390	2.475	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H]3CCCCN(C)C3)C2)cc1	858599014	KHKHYZXXJMMKGD-DLBZAZTESA-N	360.502	2.305	10	10	FECE	
CCN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCN(C)C1	853434710	CQLZPAFFGISJFN-GOSISDBHSA-N	362.543	2.475	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)/C=C\COC3CCOCC3)C2)cc1	868957053	WAPLPIZFLATSOW-KYVUIXNKSA-N	374.481	2.390	10	10	FECE	
CCC[C@@H]1C(=O)NCCN1Cc1c(O)c(C(=O)OC)cc2ccccc12	765716324	FSSOPYVSXBDGAO-QGZVFWFLSA-N	356.422	2.433	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H]1CCC2(CCC2)CO1	1119541022	IDSHKIXVUGFPTE-GOSISDBHSA-N	373.497	2.143	10	10	FECE	
O=C(CN1CC[C@H](c2ccccc2)NC1=O)N1Cc2cccc(O)c2C1	871207249	LGODUEPJIIKTQT-QGZVFWFLSA-N	351.406	2.391	10	10	FECE	
C[C@H](NC(=O)c1cnn2c1NC[C@@H](C)C2)c1ccc(N2CCOCC2)cc1	1123606442	HZKGILXLEBQTRG-CABCVRRESA-N	369.469	2.272	10	10	FECE	
O[C@@]1(CNCc2ccc(N3CCOCC3)cc2)[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41	785546953	UJLXOBXHDLCZSR-VFYBALLWSA-N	366.505	2.122	10	10	FECE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)C(=O)NCCCSc1nccs1	897730335	LVKOLSOAXQPFOL-FVCCEPFGSA-N	353.513	2.150	10	10	FECE	
Nc1ccc(S(=O)(=O)NCc2cc(Br)ccc2O)cc1	796190468	IAOJCXHPKQAXEP-UHFFFAOYSA-N	357.229	2.215	10	10	FECE	
COc1cc(Br)cc([C@H](C)NCc2nnc(C)n2C)c1O	1327149903	HNOTYAAASFKCOK-QMMMGPOBSA-N	355.236	2.451	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@](O)(CNC(=O)OC(C)(C)C)C1	2124346688	YYMNEXHZZBLJRT-QUWSVYMGSA-N	364.442	2.016	10	10	FECE	
CN1CCc2cc(CN[C@@]3(CO)CCN(C(=O)OC(C)(C)C)C3)ccc21	2133755462	MUYZJAHGOCHHOX-FQEVSTJZSA-N	361.486	2.140	10	10	FECE	
C[C@@H](NC(=O)Cc1csc(N2CCOCC2)n1)c1ccc(N(C)C)cc1	1467260919	WZTCVNJNBDBDSE-CQSZACIVSA-N	374.510	2.466	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)NCC2(N(C)C)CCC2)N(C)C)cc1	1469827290	DQJJZWPXOCNVAK-SFHVURJKSA-N	361.534	2.139	10	10	FECE	
CCCc1nc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)co1	1535157465	WYZJDSKEAOHBCK-UHFFFAOYSA-N	370.453	2.259	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CC[C@H](OCCN3CCCC3)C2)cc1	1545532634	SOVPTFKDMLWTSU-INIZCTEOSA-N	359.430	2.176	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1	1622297086	PYBLXVFIURXTQX-HUUCEWRRSA-N	372.381	2.407	10	10	FECE	
COc1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1C	1629363138	GQFQMJCINQVTCR-UHFFFAOYSA-N	350.396	2.333	10	10	FECE	
O=C(CN1C(=O)C(F)(F)Oc2ccccc21)N1Cc2cccc(O)c2C1	1636230769	INSDSGKXZPNUFV-UHFFFAOYSA-N	360.316	2.253	10	10	FECE	
COc1c(O)nc(O)nc1C(=O)N(Cc1ccco1)Cc1ccccc1O	1635647486	JYHLQTUOUYDDJR-UHFFFAOYSA-N	371.349	2.038	10	10	FECE	
COC(=O)Cc1c(C(=O)NCc2ccc(O)cc2O)[nH]c2ccccc12	1643104418	XWBJQVMGEJTGDR-UHFFFAOYSA-N	354.362	2.225	10	10	FECE	
COc1ccc(N2N=C(C)/C(=C(/C)NCCCN3CCOCC3)C2=O)cc1	19921350	LRRJQROFINAFJK-XDJHFCHBSA-N	372.469	2.004	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNC(=O)c3cccc(O)c3O)C[C@H]21	2140674766	IEYUWMCRXBDEOV-OUCADQQQSA-N	362.426	2.473	10	10	FECE	
COC(=O)c1c(NC(=O)CNCC(=O)O)sc(C)c1-c1ccccc1	1866109531	FUYBTTSYRWBKIX-UHFFFAOYSA-N	362.407	2.123	10	10	FECE	
CCc1nc(-c2ccc(O)c(O)c2)[nH]c(=O)c1I	234204011	YSXWTIAGGWWXEM-UHFFFAOYSA-N	358.135	2.015	10	10	FECE	
CCN1CCc2cc([C@@H](N)[C@]3(O)CN(C(=O)OC(C)(C)C)[C@H]3C)ccc21	1887683346	IHXVGQPVDBCMIS-ZLXGRDSLSA-N	361.486	2.439	10	10	FECE	
C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)Cc1ccc(N)cc1	2044650749	QNXVVQLMUZSLQG-SWLSCSKDSA-N	369.487	2.086	10	10	FECE	
CN(CC[S@](C)(=O)=NC(=O)c1cccc(O)c1O)C(=O)OC(C)(C)C	2054417602	NMSCUSZYAUUXSV-VWLOTQADSA-N	372.443	2.203	10	10	FECE	
Nc1ccc(Br)cc1S(=O)(=O)NCc1ccccc1O	2191709185	ZRFJRSHJFLTAMD-UHFFFAOYSA-N	357.229	2.215	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)[C@H](CO)CNC(=O)OC(C)(C)C	2067732891	IAMIAZTZRPZCJL-OLZOCXBDSA-N	352.431	2.045	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNCc2ccc(F)cc2O)C[C@@H]1O	2084174266	DZVPWPAZMMCMQW-PEYYIBSZSA-N	354.422	2.285	10	10	FECE	
CCOC(=O)c1ccc(N2NC(=O)C(=Cc3ccc(O)cc3)C2=O)cc1	2297321481	NZXSGALZXYZUSH-UHFFFAOYSA-N	352.346	2.030	10	10	FECE	
Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc3c(c2)OCCO3)C1=O	2297617384	HKMRBLYYMGTZIK-UHFFFAOYSA-N	364.357	2.433	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@H]1COC[C@@H]1N(CC)C(=O)OC(C)(C)C	2315992004	GCOLPVUAOHNWKS-STQMWFEESA-N	355.439	2.417	10	10	FECE	
CCCCN/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	103769375	IPGINQFOSSNNRD-FMIVXFBMSA-N	366.215	2.306	10	10	FECE	
C[C@@H](NCc1cccnc1-n1cncn1)c1ccc(N2CCOCC2)cc1	178047859	KEOZRGNKVAZPME-MRXNPFEDSA-N	364.453	2.350	10	10	FECE	
CC(=O)N[C@H](CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1ccccc1	186385414	NZFQKKZMPCUPDA-CXAGYDPISA-N	356.422	2.413	10	10	FECE	
CC[C@@H]1CN2CCC[C@H]2CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1	246673734	VGBFWYYIXPEPFQ-QUCCMNQESA-N	358.530	2.270	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[C@@H]2[C@H](CCCN2C)C1	247984849	IRSRQMLIUBLMDV-UYAOXDASSA-N	358.530	2.127	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC[C@H](C3OCCO3)C2)c([N+](=O)[O-])c1	263784818	ZIRGMKSHTKGEGR-DYLGSBMWSA-N	362.382	2.370	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1	276405931	ICGWNUAVHULULX-ZDUSSCGKSA-N	363.414	2.020	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)NC2(CC(N)=O)CCC2)CCCC1	649820894	QXDUEOVIHGBBKC-UHFFFAOYSA-N	369.465	2.443	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)[C@@H]1CCc2nccn2C1	804736217	NQRLIVSWYWWGMV-SNVBAGLBSA-N	350.216	2.230	10	10	FECE	
COc1cc(O)c(CN[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc1OC	827537462	CRRDAEQYZZJRIH-RTBURBONSA-N	362.470	2.142	10	10	FECE	
CC(C)NC1(CO)CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1	908613729	ULCOOFATLKNBGK-UHFFFAOYSA-N	364.467	2.278	10	10	FECE	
COc1ccc(O)c(CNC(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)c1	734015709	YLXQEFFFLHNPTQ-UHFFFAOYSA-N	371.393	2.248	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(F)s3)cc2)CC1	832794410	MXHKUTZFIKPGHL-UHFFFAOYSA-N	361.442	2.486	10	10	FECE	
CC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCCO1	848932418	ZAYVROZFHLDDMU-MOPGFXCFSA-N	373.497	2.367	10	10	FECE	
Fc1cc(CN2CCNC[C@@H]2c2cccnc2)ccc1N1CCOCC1	843113679	ACTLMWWUHXAPIA-HXUWFJFHSA-N	356.445	2.204	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1C[C@H](O)C12CCC2	853436053	PXJCBGGPIOGLCJ-SJORKVTESA-N	361.511	2.343	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3CCn4cc(C)nc4C3)C2)cc1	862035636	ZZLGVMCYFBCJEV-IRXDYDNUSA-N	368.481	2.405	10	10	FECE	
COc1cccc(Nc2ccc(NC[C@H](O)CN3CCN(C)CC3)cc2)c1	863571413	YAMWXKYHAWCWHZ-FQEVSTJZSA-N	370.497	2.459	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)c1	861403451	WLQSHZCXZXDCTP-OAQYLSRUSA-N	365.433	2.259	10	10	FECE	
Cn1cc(C(N)=O)cc1C(=O)Nc1c(-c2ccccn2)nc2ccccn12	773077234	NADFQVGENBTION-UHFFFAOYSA-N	360.377	2.086	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](NCc2ccc(F)c(F)c2O)C1	2116270658	RNCJUWBJVCFAFJ-JSGCOSHPSA-N	372.412	2.378	10	10	FECE	
C[C@@]1(c2cccc(CN[C@@H]3CCc4cccc(O)c43)c2)NC(=O)NC1=O	1324600378	BMEXNBSPOAMOHL-QRWLVFNGSA-N	351.406	2.224	10	10	FECE	
C[C@H](N[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)c1ccc(O)cc1O	2121674167	SOGRHOOXQKHIDU-RMIITELYSA-N	364.442	2.383	10	10	FECE	
COc1ccc(O)c([C@H](C)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1	1337786303	WAUFOMPPOHBMOR-FKIZINRSSA-N	369.421	2.306	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)CC1(C)C	2132393673	ZCMZPBIDRBRUIT-LLVKDONJSA-N	366.414	2.321	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCn1cc([N+](=O)[O-])cn1	1349119142	RALVYUQXVVNCHY-UHFFFAOYSA-N	357.414	2.440	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C(C)(C)C)n1Cc1ncn(C)n1	1517142194	CXBPNBGZPCFGEZ-UHFFFAOYSA-N	355.446	2.094	10	10	FECE	
CC[C@H](C)NC(=O)c1cccc(CNC(=O)Cc2ccc(O)c(O)c2)c1	1441586961	AZRNCYRNHFXXDN-ZDUSSCGKSA-N	356.422	2.485	10	10	FECE	
COc1cccc(CNC(=O)c2ccccc2S(=O)(=O)C(F)F)c1O	1294925613	QUHMMELWWQHREN-UHFFFAOYSA-N	371.361	2.327	10	10	FECE	
CCCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)cc1C	1614606799	HXPJDRVOHKRQHX-QGZVFWFLSA-N	370.501	2.498	10	10	FECE	
COc1ccc(CN[C@@H]2CC[C@H](CNC(=O)Cc3cncn3C)C2)cc1C	1488959699	AGXMPEPZDFWFJL-ZWKOTPCHSA-N	370.497	2.354	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NCc2cc(O)ccc2O)C1	1558175236	JELFTMBPADWRAY-GFCCVEGCSA-N	350.415	2.361	10	10	FECE	
COc1cc(N2CCN(C(=O)CC(C)C)CC2)c([N+](=O)[O-])cc1OC	1559072383	BMTPVDIXSOOYCE-UHFFFAOYSA-N	351.403	2.307	10	10	FECE	
COC(=O)c1cc(C(=O)NCc2ccc(O)cc2O)n(-c2ccccc2)n1	1639444346	IJEKJVSRJYKRKF-UHFFFAOYSA-N	367.361	2.000	10	10	FECE	
Cc1cc(CC(=O)N[C@@H]2CC(=O)N(C)C2=O)c(C)n1-c1ccc(Cl)cc1	1633974420	KJZHGMOHTBWVJJ-MRXNPFEDSA-N	373.840	2.164	10	10	FECE	
O=C(NCc1nc(C(F)(F)F)n[nH]1)c1cc2cc(O)c(O)cc2s1	1567893077	GFVXQVVMEPUWMI-UHFFFAOYSA-N	358.301	2.379	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC(c3nncn3C)CC2)c([N+](=O)[O-])c1	1772821910	PUXWBEXVJQSKOT-XQRVVYSFSA-N	371.397	2.294	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1CCCNC(=O)C1CCC1	1694638220	WGADTNCGABNMDW-UHFFFAOYSA-N	371.485	2.489	10	10	FECE	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N[C@@H]3CCC(=O)NC3=O)c2C)c1	153386600	RCUZNZZKVBMLTI-QGZVFWFLSA-N	353.422	2.246	10	10	FECE	
Cc1cccc(CNCc2c(I)cnn2C)c1O	877776413	JMHKKMOMEXYAKO-UHFFFAOYSA-N	357.195	2.329	10	10	FECE	
C[C@H](CNCc1cccc(O)c1O)N1CCN(C(=O)OC(C)(C)C)CC1	1877256882	WLTJWYZQJCPWCO-CQSZACIVSA-N	365.474	2.129	10	10	FECE	
COc1cccc(O)c1CNC[C@@]12C[C@@H](CO1)N(C(=O)OC(C)(C)C)C2	1967734356	NIJFGUKMOKNLPT-ORAYPTAESA-N	364.442	2.269	10	10	FECE	
NC(=O)c1cccc(N)c1N[C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1	1978874514	VHQOIGFYTHECLN-CVEARBPZSA-N	354.410	2.237	10	10	FECE	
C[C@@H](N)c1ccc(N(C)C[C@H]2CCS(=O)(=O)C2)c(Br)c1	2148776485	IQRFUNDEWFHZNW-GHMZBOCLSA-N	361.305	2.340	10	10	FECE	
C[C@@H](O)c1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@H]32)cc1Br	2151273730	QGXPYACMRWRHLC-GPCCPHFNSA-N	360.273	2.126	10	10	FECE	
CC(C)(C)OC(=O)N1CCSC[C@@H](C(=O)N2CC[C@@H](N=[N+]=[N-])C2)C1	2010401016	ADCYSNHDAVFPSC-NWDGAFQWSA-N	355.464	2.498	10	10	FECE	
CN(CC(=O)NCC(F)(F)F)c1ccc(CN)cc1Br	2172212262	IVFSHXUVIBBMCC-UHFFFAOYSA-N	354.170	2.023	10	10	FECE	
CN(C(=O)COc1ccc(N)cc1)C(C)(C)CNC(=O)OC(C)(C)C	2044623466	SPOQREVLECETBJ-UHFFFAOYSA-N	351.447	2.409	10	10	FECE	
CN(Cc1cc(N)ccc1O)[C@]1(CNC(=O)OC(C)(C)C)CCOC1	2044669016	KXPOCDDWVGMXGF-SFHVURJKSA-N	351.447	2.090	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1	2060610419	HPYCSGUFDVKXMH-LRDDRELGSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(CCC(=O)N2CC[C@H](N=[N+]=[N-])C2)CCOC1	2060640903	ADVZLCHVHWTGGS-LRDDRELGSA-N	353.423	2.362	10	10	FECE	
CC(C)(C)OC(=O)NCCOCC(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2060632666	DNUXQHNMVXKGGP-ZDUSSCGKSA-N	355.439	2.467	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](CO)C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2067793695	YEUDZYBVICSWDT-CHWSQXEVSA-N	355.439	2.059	10	10	FECE	
COC(=O)[C@@H](CCN[C@H](C)c1cc(O)ccc1O)NC(=O)OC(C)(C)C	2088543152	PFEZQAVMUXTVBZ-BXUZGUMPSA-N	368.430	2.205	10	10	FECE	
CN(Cc1ccccc1)C1CN(Cc2ccc(N3CCNCC3)cc2)C1	2270556980	NDXWFWKTVWJALU-UHFFFAOYSA-N	350.510	2.412	10	10	FECE	
COc1ccccc1C=C1SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O	2296664715	ZENUTRKZCJXBNH-NSHDSACASA-N	369.489	2.084	10	10	FECE	
COc1cc(C=C2C(=O)NN(c3ccc(C)cc3)C2=O)cc(OC)c1O	2297531893	SZVXCQFODRBLBH-UHFFFAOYSA-N	354.362	2.179	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@]12C[C@](NC(=O)OC(C)(C)C)(C1)[C@H](C)O2	2315989453	QQWJOUMVNMVQNW-UVBJJODRSA-N	353.423	2.360	10	10	FECE	
CCOc1cc(C=C2SC(=S)N(CCOCCO)C2=O)ccc1O	2323767924	NDPLHGVWKZUEAF-UHFFFAOYSA-N	369.464	2.001	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cn1ncc(=O)c2ccccc21	7051076	FZTVBQMZXJLIPT-UHFFFAOYSA-N	350.422	2.121	10	10	FECE	
O=C(/C=C/c1cncc(O)c1)NCc1ccc(N2CCC(O)CC2)c(F)c1	179528046	UHIAGODHMMNRFB-DUXPYHPUSA-N	371.412	2.217	10	10	FECE	
Cc1cc(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)c(C)n1-c1ccccc1	171035172	LEUDMPWXZUGRFJ-QGZVFWFLSA-N	351.406	2.114	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2cc(O)c(O)c(O)c2)CC1	217279017	CMOLOHMDPAGHEG-UHFFFAOYSA-N	367.402	2.324	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)[C@@H](C)OC)cc2F)CC1	188891560	ULJNZUHTEFONKX-LSDHHAIUSA-N	366.481	2.190	10	10	FECE	
COc1ccc(N2CCN(C(=O)NC[C@H]3CCN(C4CC4)C3)CC2)cc1	79460209	WXDSDFZQFFBCRJ-MRXNPFEDSA-N	358.486	2.011	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@H]3CCOC[C@@H]3C)cc2F)CC1	194309713	GNYBDZMWTUDUAP-RDJZCZTQSA-N	363.477	2.256	10	10	FECE	
CC[C@H](C)NC(=O)C(C)(C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	242580893	CHKWVXBMOGBIMK-HNNXBMFYSA-N	361.486	2.285	10	10	FECE	
COC(=O)c1cc(NS(=O)(=O)c2cccc3nonc23)cc2[nH]ccc12	808122647	ANPADDNIERYBJX-UHFFFAOYSA-N	372.362	2.292	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C	808496776	HFADSJLODUPVEZ-SJFHUFEGSA-N	363.454	2.045	10	10	FECE	
O=S1(=O)CC[C@@]2(C[C@H](NCc3cc(Cl)c(F)cc3O)CCO2)C1	293584904	KAHFGLMVYNDHRJ-IAQYHMDHSA-N	363.838	2.011	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)c3cc4c([nH]3)CCOC4)C2)cc1	819587279	LAXZHSNUWSTEHL-AWEZNQCLSA-N	355.438	2.352	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2CCNC(=O)CC2)CCCC1	652443280	RFYRWZGYJOMUAJ-AWEZNQCLSA-N	369.465	2.314	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3CCC[C@H](CO)C3)C2)cc1	824681869	QQROKXJGXZJFBF-BBWFWOEESA-N	361.486	2.372	10	10	FECE	
COc1ccc2ncc(C(=O)NCc3c(O)ccc4c3CCCC4)n2n1	830559501	PAFSWGSCJDOYCX-UHFFFAOYSA-N	352.394	2.252	10	10	FECE	
N[C@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)(F)F	830656605	CGVSXCZGUJDNKP-BXKDBHETSA-N	367.318	2.263	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H](c1ncccn1)C1CC1	914335262	DAYZLJDIVFBFAU-SFHVURJKSA-N	367.453	2.264	10	10	FECE	
CCOC(=O)c1cnc(NC(=O)NCc2cc(Cl)ccc2O)n1C	844659074	MEGUWXOJRANZHT-UHFFFAOYSA-N	352.778	2.278	10	10	FECE	
C[C@@H](N)c1ccc(CNC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1	842203921	YPKQOHRTJUMVRR-HUUCEWRRSA-N	368.481	2.266	10	10	FECE	
Cc1cc(CC(=O)O[C@H](C(=O)NC(N)=O)C(C)C)c(C)n1-c1ccccc1	853933942	LTSMQKQYCBTBMU-SFHVURJKSA-N	371.437	2.399	10	10	FECE	
CO[C@@H]1CCC[C@@H]([C@H](CO)NC(=O)NCCCSc2nccs2)C1	853854570	BUEUQIUDGMLJNP-MCIONIFRSA-N	373.544	2.491	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCN(CC(F)(F)F)C3)C2)cc1	855223360	FYMWVFYEHJKRDY-ZIAGYGMSSA-N	371.403	2.274	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3C[C@H](C)C(O)[C@@H](C)C3)CC2)cc1	853643751	NUGFUPXEQUOLPE-GJZGRUSLSA-N	361.486	2.322	10	10	FECE	
COc1cnc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(F)c1	864634086	HTUQWHUDKAXJRD-UHFFFAOYSA-N	359.401	2.338	10	10	FECE	
COC(=O)c1c(CN[C@@H]2CCc3c[nH]nc3C2)c2cc(F)ccc2n1C	894330957	ZONRLDQEYWYYHD-CYBMUJFWSA-N	356.401	2.474	10	10	FECE	
CC[C@H](N[C@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(F)cc1O	796934343	RDNHAVIVAYEDMO-HOTGVXAUSA-N	360.433	2.497	10	10	FECE	
C[C@@H]1CS(=O)(=O)C[C@H]1NCc1cc(Cl)cc(Br)c1O	711667131	WNJGGICGVDDSIQ-RDDDGLTNSA-N	368.680	2.331	10	10	FECE	
CC(C)CO[C@H](C)c1noc(CN(C)C(=O)Cc2ccc(O)c(O)c2)n1	1147875398	UWJHUXQHULGKCP-GFCCVEGCSA-N	363.414	2.416	10	10	FECE	
COc1cccc(CNC(=O)c2c[nH]c3cc(F)c(F)cc3c2=O)c1O	1150543143	IUNONKPSVSWCBY-UHFFFAOYSA-N	360.316	2.451	10	10	FECE	
COc1cc(N)c(N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](OC)C2)cc1OC	2122658058	XGFWSHHUPGHTIW-MLGOLLRUSA-N	367.446	2.014	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CC[C@@]2(C1)CC2(F)F	1328900890	JBBOGKAMNWZXMK-SFHVURJKSA-N	363.408	2.161	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1ncccc1C	1321358802	BVMJUJFAQRFFQT-DYLHUKMJSA-N	370.405	2.105	10	10	FECE	
Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2124514728	ZBIZDNTUDYVPRG-GFCCVEGCSA-N	363.422	2.360	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)NCCOCC2CCC2)N(C)C)cc1	1252218307	MLIZGWISIMCXHZ-LJQANCHMSA-N	362.518	2.471	10	10	FECE	
CN1CCN(c2ccc(CN3CCC(Cn4cnnc4)CC3)cc2F)CC1	1326527061	JHNBENGEHLPBDG-UHFFFAOYSA-N	372.492	2.081	10	10	FECE	
CN(C)c1ccc(CN[C@@H]2CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)cc1	2121660674	COJNAAGTXCSQSU-KSZLIROESA-N	361.486	2.477	10	10	FECE	
CC[C@@H]1[C@H](NC(=O)c2cc(O)c(O)c(O)c2)CCN1C(=O)OC(C)(C)C	2132413140	KIWHTINOFKFGNN-VXGBXAGGSA-N	366.414	2.321	10	10	FECE	
Cc1cccc(CN=c2nc(CCN(C)C(=O)OC(C)(C)C)[nH][nH]2)c1O	2128847257	JRPYLOOORIXFCM-UHFFFAOYSA-N	361.446	2.262	10	10	FECE	
C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1)c1ccccc1O	1454805395	ISIKBSSWCYUXFE-LLVKDONJSA-N	366.414	2.273	10	10	FECE	
CN(C)c1ccc(CN(C[C@H]2CN=C(c3cnn(C)c3)O2)C2CC2)cc1	1473116373	ZNAKQQTYJOQAMW-LJQANCHMSA-N	353.470	2.296	10	10	FECE	
CNS(=O)(=O)c1cccc(C(=O)NCc2c(O)ccc3ccccc23)c1	1472085938	FKNLKWVLUWVTOF-UHFFFAOYSA-N	370.430	2.384	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)CCC[C@]2(C)NC(=O)NC2=O)cc1	1540537805	LBOJAOPXZAYNRS-FQEVSTJZSA-N	374.485	2.260	10	10	FECE	
NCc1ccc(N2CCN(CC(F)F)CC2)c(F)c1Br	1923123491	SJHZQVTVAVQUKZ-UHFFFAOYSA-N	352.198	2.434	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC2CCN(c3cccnn3)CC2)cc1	1567594396	RINOLAVSGHAILU-UHFFFAOYSA-N	353.386	2.038	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)c2ccc3nonc3c2)N(C)C)cc1	1647082422	REUSVRVIMORSBN-SFHVURJKSA-N	353.426	2.322	10	10	FECE	
O=Cc1ccc(OCC(=O)NCc2cc(Cl)ccc2O)c([N+](=O)[O-])c1	1640920400	PZXVCSRDZBKSDK-UHFFFAOYSA-N	364.741	2.462	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CC(=O)N(CC2CC2)C1	1684841049	LAQUNPLZHKPOBD-GOSISDBHSA-N	370.497	2.439	10	10	FECE	
CN(C)c1ccc([C@@H](CN)N2CCOCCN2C(=O)OC(C)(C)C)cc1	1881002381	HXWZQHDHXBBMHJ-QGZVFWFLSA-N	364.490	2.237	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)NCc1ccccc1O	1964093551	YNTWATYJDOTBSY-GDBMZVCRSA-N	364.442	2.280	10	10	FECE	
CN(CC1CN(C(=O)OCc2ccccc2)C1)C(=O)c1ccc(O)c(O)c1	2006283337	HCGQSYTZLDVEAJ-UHFFFAOYSA-N	370.405	2.438	10	10	FECE	
CC(C)(C)OC(=O)N=S1(=O)CC2(CN(Cc3ccc(N)cc3)C2)C1	2011573588	IMVPRFXZXNSVQY-UHFFFAOYSA-N	351.472	2.488	10	10	FECE	
CO[C@]1(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])CCN(C(=O)OC(C)(C)C)C1	2060617929	TWJNCINAGBBOBE-MLGOLLRUSA-N	353.423	2.314	10	10	FECE	
C[C@@](NC(=O)C(F)(F)F)(C(=O)N1CC[C@H](CN=[N+]=[N-])C1)C(F)(F)F	2060640736	YEUJCGIDRJEEAX-HZGVNTEJSA-N	361.246	2.145	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCC[C@H](N=[N+]=[N-])C2)C1	2060633009	ITUNUCHGXWAYLJ-BLLLJJGKSA-N	353.423	2.050	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060634181	WOOCIJDLODDCFY-UPJWGTAASA-N	353.423	2.170	10	10	FECE	
CC1CN(C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1	2080885826	FNPJVAVAADACRK-ZDUSSCGKSA-N	350.415	2.012	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2CC(=O)Nc1ccc(N)cc1	2106667842	BDMVPSCHBKRQSV-IYBDPMFKSA-N	360.458	2.291	10	10	FECE	
CC(C)c1ccnc(N2CCN(C(=O)C=Cc3ccc(O)c(O)c3)CC2)n1	2309366412	PPLFAPYTKBSHOD-UHFFFAOYSA-N	368.437	2.373	10	10	FECE	
NC(=O)C1CCN(C2=NC(=O)C(=Cc3c[nH]c4ccccc34)S2)CC1	2314656351	LILJWIUFBZADAX-UHFFFAOYSA-N	354.435	2.336	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H]1CCCN1C1CN(C(=O)OC(C)(C)C)C1	2337776075	IZNDUJTYHKRWBY-AWEZNQCLSA-N	366.466	2.229	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H](O)Cc1ccccc1	128010505	ADLJGIQRGFBIAU-FQEVSTJZSA-N	351.450	2.466	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](c3nccs3)C3CC3)nc12	185390652	NEVRRZFGOXOONG-AWEZNQCLSA-N	373.438	2.309	10	10	FECE	
C[C@@H](C(=O)NC1CCCC1)N1CCN(Cc2ccc(N(C)C)cc2)CC1	93077493	ONEDPWHVENYTBZ-KRWDZBQOSA-N	358.530	2.318	10	10	FECE	
Cc1ccc(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)c(O)c1O	271286383	PAOAZVFWWXFDFS-UHFFFAOYSA-N	361.442	2.206	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N(C)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21	2163028191	BAEQNXNLEMPFBT-VZEFYGNVSA-N	374.485	2.393	10	10	FECE	
O=C(NCCOC(F)(F)F)NCc1cc(Br)ccc1O	805331196	HHWIMSIRKIMGBY-UHFFFAOYSA-N	357.126	2.490	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCC([C@@]3(C)COC(=O)N3)CC2)cc1	902910046	CEMILNCYLNNNPT-LJQANCHMSA-N	360.458	2.173	10	10	FECE	
COc1ccc(O[C@H](C)C(=O)N(CC(=O)O)Cc2ccccc2O)cc1	911483796	FEJNQOKHWUIKJC-CYBMUJFWSA-N	359.378	2.282	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@@H]2CNC[C@@H]2CC1	841707638	WWBMMIANDVLWKX-HDICACEKSA-N	374.554	2.381	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCC[C@]2(C)C[C@@]2(F)Cl)cc1	846721013	DIPCCVIRHYGNTC-SJORKVTESA-N	355.841	2.190	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC3CCN(C4CC4)CC3)C2)cc1	851936328	LGNRQSFQLCEMEP-MRXNPFEDSA-N	358.486	2.200	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NC[C@H](O)c2ccnn2C)c1O	927131748	QRFNTQJKCJUIPV-RNCFNFMXSA-N	370.247	2.281	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cn4c(n3)CC[C@H](C)C4)C2)cc1	857964829	YMLCXQSECUJQDS-LSDHHAIUSA-N	354.454	2.483	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](C)O[C@@H](C4CC4)C3)C2)cc1	852452555	ZWWXMEHEXAXBJC-URLQWDBASA-N	359.470	2.483	10	10	FECE	
Cc1cc(CNC(=O)[C@@H](O)Cc2cnn(C)c2)c(C)n1-c1ccccc1	863164827	WERYWTZSYCBNGC-IBGZPJMESA-N	352.438	2.047	10	10	FECE	
O=C(NCc1ccccc1O)c1ccc(NCCN2CCOCC2)c(F)c1	866755906	OJHPGALOMVZWKV-UHFFFAOYSA-N	373.428	2.205	10	10	FECE	
COC[C@H](O)CCNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C	766243734	PLBPGHANCNZWNZ-LJQANCHMSA-N	359.470	2.333	10	10	FECE	
CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)N2Cc3cccc(O)c3C2)C1	871205014	OJTMMUFKAMFCNR-OAHLLOKOSA-N	350.390	2.439	10	10	FECE	
CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2Cc3cccc(O)c3C2)o1	871197939	AQQOXIGFVSPGLY-UHFFFAOYSA-N	364.423	2.218	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCN(Cc3ccccn3)CC2)cc1	1136019401	OSUBOUFKJGUTJH-UHFFFAOYSA-N	352.398	2.202	10	10	FECE	
COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)NCc3cc(Cl)ccc3O)[C@@H]2C1	897738009	XRQXQSWUILNASX-MHWZDGSBSA-N	352.818	2.433	10	10	FECE	
O=S1(=O)CCC[C@H]1CCNCc1cc(Br)cc(F)c1O	715792179	OMOMLZYFKVAOFK-NSHDSACASA-N	366.252	2.351	10	10	FECE	
COCCN(C(=O)OC(C)(C)C)[C@@](C)(C(N)=O)c1ccc(N(C)C)cc1	698399115	JGQJLDRKFJRXSF-LJQANCHMSA-N	365.474	2.337	10	10	FECE	
Oc1cccc(CNC[C@]23CN(Cc4ccccc4)C[C@@H]2CCO3)c1O	2118580888	GXEOREXUPJEPJY-RXVVDRJESA-N	354.450	2.479	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@](C)(NC(=O)C(F)(F)F)C(F)(F)F	2124316315	PEAISEKXEGFDBZ-LBPRGKRZSA-N	372.265	2.350	10	10	FECE	
COc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1C	1651452861	PZNMKYKSARHOFX-CVEARBPZSA-N	350.459	2.464	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@@H]1C[C@@H]2CCC[C@@H]21)c1ccc(N2CCOCC2)cc1	1332656449	LCIOHHFVTYXKNB-OYSPMZIOSA-N	371.481	2.005	10	10	FECE	
CCCN(C(=O)C(=O)N1Cc2cccc(O)c2C1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	1330430141	DQEUMUXHRBNNON-BMGDILEWSA-N	372.465	2.287	10	10	FECE	
Cc1cc(CNC(=O)N2C[C@H](CO)[C@@H](CCO)C2)c(C)n1-c1ccccc1	1519515880	WXRXTFQZQRIQLX-PKOBYXMFSA-N	371.481	2.226	10	10	FECE	
Nc1ccnc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1	1465952122	VTTWVIUUWOLUQV-HNNXBMFYSA-N	360.845	2.417	10	10	FECE	
COc1ccc(O)c(CNC[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)c1	2136618409	WWFIEQBNLIEXQO-IBGZPJMESA-N	366.458	2.252	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(N2CCCNC2=O)cc1	1470512112	NZKKXBKAYZMTKV-UITAMQMPSA-N	367.405	2.347	10	10	FECE	
Nc1c(F)cccc1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	1638688562	ZMAVYTAQXIXEPY-UHFFFAOYSA-N	365.355	2.453	10	10	FECE	
CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)c1cc2cc(O)c(O)cc2s1	1633688451	ORTIBWGYFJRFBT-QGZVFWFLSA-N	367.423	2.135	10	10	FECE	
Cc1nc(N)c2c(C)c(C(=O)NCCc3ccc(O)c(O)c3)sc2n1	1566369869	ZKBINVMEIMKQQK-UHFFFAOYSA-N	358.423	2.274	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1ccc2c(c1)NC(=O)CO2	1638348265	QBGRZXZMYCOFNI-NTYUQYKDSA-N	368.389	2.189	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](CO)CN2CCCC2)c1	1641852868	PMHRLAZKEAYXSB-IBGZPJMESA-N	369.465	2.093	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1cnc(OCc2ccccc2)cn1	1643103980	KGPKHXSELHTGNY-UHFFFAOYSA-N	351.362	2.397	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(C)CCN(C)CC2)cc1	1652666477	MTAFLLUWAXUPNE-UHFFFAOYSA-N	354.498	2.414	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCNC(=O)[C@@H]2c2cccs2)cc1	1587160603	GUWJTUDLJCDPMK-ZDUSSCGKSA-N	357.395	2.224	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC2(c3ncccn3)CCOCC2)cc1	1597211287	KCFHUDBIIMIVLZ-UHFFFAOYSA-N	354.370	2.075	10	10	FECE	
C[C@H](CNC(=O)NCc1c(O)cccc1F)CNC(=O)OC(C)(C)C	1679315493	LGIAOQJUSAYONO-LLVKDONJSA-N	355.410	2.491	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)c1cccc(S(N)(=O)=O)c1C	159101478	AAHUYARITALOOA-UHFFFAOYSA-N	362.451	2.400	10	10	FECE	
C[C@@H](O)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S	1858591935	DEFXSMHZBJNPTD-QEXLZLQKSA-N	357.840	2.375	10	10	FECE	
CC(C)(C)OC(=O)N1Cc2nccn2C[C@H](C(=O)NCCCN=[N+]=[N-])C1	1964879669	JODMSXBWHDKVIB-LBPRGKRZSA-N	363.422	2.067	10	10	FECE	
COc1ccc(O)c(CN[C@H]2[C@H]3OCC[C@H]3[C@H]2NC(=O)OC(C)(C)C)c1	311293851	HABOFGPVRNTYEK-SVGFKBNWSA-N	364.442	2.171	10	10	FECE	
CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2CC[C@@H](O)CO	2044539938	XFCCZWVSBMTKAC-MRXNPFEDSA-N	350.459	2.207	10	10	FECE	
Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=NCc1ccc(Cl)cc1O	2063199565	AMTKUKDHPSSFHN-UHFFFAOYSA-N	367.837	2.233	10	10	FECE	
C[C@@H](NC(=O)C1(CNC(=O)OC(C)(C)C)COC1)c1ccccc1O	2072482942	YVDPQZONJNXXPC-GFCCVEGCSA-N	350.415	2.111	10	10	FECE	
Cc1cccc(CNC2(C(N)=O)CCN(Cc3ccccc3)CC2)c1O	2098248699	YQVWBAMDMOHOFT-UHFFFAOYSA-N	353.466	2.310	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)N1CCC[C@@H]1CN=[N+]=[N-])[C@@H]1CCOC1	2259903267	UKKXZCSBGQRJQG-CHWSQXEVSA-N	353.423	2.314	10	10	FECE	
C[C@H]1C[C@](O)([C@@H](N)c2ccc3c(c2)CCN3C)CN1C(=O)OC(C)(C)C	2336904303	HSOUUDQIBIWJEP-QKMWGZLOSA-N	361.486	2.439	10	10	FECE	
O=C(OCc1ccccc1)N1CC[C@](C(=O)O)(c2cccc(O)c2O)C1	1951723566	LDXDJPNLSQEVDH-LJQANCHMSA-N	357.362	2.463	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)NCc1ccc(O)c(O)c1	255132326	FDUYYYXHKWHWSD-YWEYNIOJSA-N	354.406	2.264	10	10	FECE	
CCN(CC)c1ccc(CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1	809688898	REOVWVFXXQPEJZ-GOSISDBHSA-N	353.532	2.389	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@H](CNC(=O)NCc1ccc(N(C)C)cc1)C2	818095434	AKCAMPQRTPSTOX-BQFCYCMXSA-N	374.485	2.419	10	10	FECE	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	901931501	NDEAMFRXXXOXJO-SOZUMNATSA-N	368.380	2.484	10	10	FECE	
O=C(NCc1cccc(Br)c1O)N[C@H]1CC12CCNCC2	831186038	HQKREZDJTQLOHN-LBPRGKRZSA-N	354.248	2.096	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3C[C@@H]3C3CCCC3)nc12	845347869	XWSAQOZFZCKLHS-ZIAGYGMSSA-N	373.409	2.481	10	10	FECE	
O=S1(=O)CC[C@]2(CN(Cc3ccc(N4CCCCC4)cc3)CCO2)C1	843425514	BEGNDLKCDSWLBS-IBGZPJMESA-N	364.511	2.066	10	10	FECE	
CCOC1(CS(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)CCOCC1	858882578	QOYANVTZGOUVFB-UHFFFAOYSA-N	370.515	2.100	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H](CCC(C)C)NC(C)=O)C2)cc1	855225836	QUPFFLDPJBLGRP-APWZRJJASA-N	361.486	2.331	10	10	FECE	
Cn1nnc2c1C[C@@H](NCc1cc(Br)cc(F)c1O)CC2	922992161	PLHLWUPQHHCXTO-JTQLQIEISA-N	355.211	2.069	10	10	FECE	
CC(=O)c1cc(F)cc(CN[C@@H]2CS(=O)(=O)Cc3ccccc32)c1O	856789892	RMVKLOXEZZYYJB-QGZVFWFLSA-N	363.410	2.493	10	10	FECE	
COC(=O)C1=CC[C@H](NC(=O)NCc2cc(Br)ccc2O)C1	858731929	FRXIPCWCUPVJJZ-LBPRGKRZSA-N	369.215	2.216	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](CO)c2ccnn2C)c1	861952892	XHWRHTMOZMTBTI-SFHVURJKSA-N	366.421	2.104	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC(C(=O)N(C)C)CC2)c([N+](=O)[O-])c1	931324849	JGTCGCWGCHFILM-ALCCZGGFSA-N	361.398	2.086	10	10	FECE	
Cc1csc2nc(CC(=O)NC[C@H](N)c3ccc(N(C)C)cc3)cn12	870932503	GSCDOEZHYBDKTH-INIZCTEOSA-N	357.483	2.129	10	10	FECE	
C[C@@H]1CO[C@@H](C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1	889835314	CVSLLJBZXFQVOG-OXJNMPFZSA-N	357.498	2.260	10	10	FECE	
COC(=O)[C@@H]1CCN(C(=O)/C=C\c2cnc(OC)nc2)c2ccccc21	776338427	HYJUACLCIBLHOG-ZPIQOJFGSA-N	353.378	2.192	10	10	FECE	
C[C@@H]1CCN(C(=O)c2cccc(O)c2O)[C@H](C)[C@H]1NC(=O)C(F)(F)F	2118180848	KLPQGDBQUVMUPL-LNLATYFQSA-N	360.332	2.015	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12CN(Cc3cc(N)ccc3O)C[C@@H]1CCO2	2118568090	KADARRFEWKFWID-LIRRHRJNSA-N	363.458	2.090	10	10	FECE	
Cn1cc(C(=O)NCc2ccccc2O)nc1CNC(=O)OC(C)(C)C	2124344984	IDLFKAHUMHJZMX-UHFFFAOYSA-N	360.414	2.080	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC1C[C@@H]2[C@@H](C1)C2(F)F	1350679185	FWPYYWKJCOMPJU-HZPDHXFCSA-N	363.408	2.063	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1	1455560495	SZTKPUVVCKFPCB-UWVAXJGDSA-N	368.433	2.440	10	10	FECE	
C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)Cc1ccc(O)c(O)c1	1298467258	SVLXWYZFEGFYKN-GFCCVEGCSA-N	352.431	2.450	10	10	FECE	
C[C@H](C(=O)Nc1c(Cl)ccc2nonc12)N1C(=O)c2ccccc2C1=O	1459787406	DMHIFMIXFUQYHV-MRVPVSSYSA-N	370.752	2.499	10	10	FECE	
CCc1ccccc1N1C[C@H](C(=O)NCc2cccc(O)c2O)CC1=O	1528771767	XTTRAMXAKLDRLP-OAHLLOKOSA-N	354.406	2.330	10	10	FECE	
C[C@H](NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1ccc(O)cc1O	1918962965	LRDWYBHLOWDVII-KPZWWZAWSA-N	352.431	2.120	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3cccc4c3OCC4)cc2)CC1	1462487962	QHCQUSFKDLTAIC-UHFFFAOYSA-N	351.450	2.303	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCC1CCN(Cc2ccncc2)CC1	1628739461	MERGYQWTXDSYFS-UHFFFAOYSA-N	355.438	2.064	10	10	FECE	
CC(C)CN1CCC(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC1	1558123771	JYVQUNOWAIZMBV-UHFFFAOYSA-N	372.557	2.423	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)c1ccc2nnc(S)n2c1	1630532812	QTEXRRZBNWYOOR-UHFFFAOYSA-N	351.391	2.202	10	10	FECE	
COC(=O)Cc1c(C(=O)NCc2ccc(O)c(O)c2)[nH]c2ccccc12	1630273651	RVDCJXRJGFSZLE-UHFFFAOYSA-N	354.362	2.225	10	10	FECE	
C[C@@H]1O[C@H](C)[C@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)[C@H]1C	1565206293	NNYKKEMKTFDBMK-IJCKYZCQSA-N	362.518	2.466	10	10	FECE	
C[C@H](NCc1cccc(Br)c1O)[C@@H]1CCCS(=O)(=O)C1	2146102108	CCRMYMOABQKRAL-CMPLNLGQSA-N	362.289	2.458	10	10	FECE	
CC(C)(C)OC(=O)NC/C=C/CNC(=O)c1ccn(-c2ccc(N)cc2)n1	2162541675	APXLNRQDTRDENR-SNAWJCMRSA-N	371.441	2.265	10	10	FECE	
CN1CCc2cc([C@@H](N)c3cnc(CNC(=O)OC(C)(C)C)n3C)ccc21	2179600941	HPLBIDIMVUXMIN-GOSISDBHSA-N	371.485	2.485	10	10	FECE	
C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1ccccc1O	2060456163	WIESFADWFPLITL-LALPHHSUSA-N	352.431	2.186	10	10	FECE	
COCCN(CC(=O)N1CCC(CN=[N+]=[N-])CC1)C(=O)OC(C)(C)C	2060633239	LMPGDSKHYILGON-UHFFFAOYSA-N	355.439	2.419	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CCC(N=[N+]=[N-])CC2)CO1	2060609250	SXFPRRHEEMXXQL-WCQYABFASA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N2CCC[C@H](N=[N+]=[N-])C2)C1	2060640519	WEHBEAUBASDZBD-STQMWFEESA-N	353.423	2.314	10	10	FECE	
C[C@@H](CCS(C)(=O)=O)N(C)c1ccc(CO)c(Br)c1	2104459455	PAAFLCRYERZKTL-JTQLQIEISA-N	350.278	2.201	10	10	FECE	
C[C@H]1CN(CC(=O)Nc2ccc(N)cc2)C[C@H]1CNC(=O)OC(C)(C)C	2106677776	KEOGXWTXXSDBDY-UONOGXRCSA-N	362.474	2.300	10	10	FECE	
CN(CC(=O)Nc1ccc(N)cc1)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12	2106745025	LZISPNXENLJVRP-GJZGRUSLSA-N	360.458	2.004	10	10	FECE	
COCCNCc1cc(F)c(N(CC(N)=O)Cc2ccccc2)c(F)c1	2095886794	HGFINHYSGNDJKW-UHFFFAOYSA-N	363.408	2.193	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-]	2218746246	VYWWOSWCOCPJTJ-WUHRBBMRSA-N	353.423	2.216	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1cccnc1)C(=O)N1CC[C@H](N=[N+]=[N-])C1	2229159642	FPLQKLDHQGJCIJ-UONOGXRCSA-N	360.418	2.429	10	10	FECE	
COc1ccc(O)c([C@@H](C)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1	2310412565	HXUFHDNUEJHRDN-XFJVYGCCSA-N	352.431	2.032	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1	2315991882	DPTQBIZYWIAQMJ-UHFFFAOYSA-N	355.439	2.297	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)CN1CCC(CNC(=O)OC(C)(C)C)CC1	2337776373	DMODDMGGJFRMCF-UHFFFAOYSA-N	368.482	2.382	10	10	FECE	
Cc1cc(C)c(CNC(=O)NCc2ccc3c(c2)CCCN3C)c(=O)[nH]1	57661788	RFQZBXIGFJPRLP-UHFFFAOYSA-N	354.454	2.374	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1C[C@H]2C=C[C@@H]1C2	2357906941	LZMADNSJHWPXJS-ZNMIVQPWSA-N	374.437	2.321	10	10	FECE	
c1cc(N2CCOCC2)ccc1CN1CCN(c2cc(C3CC3)n[nH]2)CC1	189899588	QTUAAMKDOMTKAK-UHFFFAOYSA-N	367.497	2.446	10	10	FECE	
CC[C@H](NC(=O)c1cc(C)n(-c2ccccc2)c1C)C(=O)N1CCOCC1	84274271	KXVJIAJOFGPGPL-IBGZPJMESA-N	369.465	2.461	10	10	FECE	
CC1CCN(C[C@@H](O)CN(Cc2ccccc2O)C[C@H]2CCCO2)CC1	246444235	DKAQVPSGXGGYMQ-WOJBJXKFSA-N	362.514	2.466	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ncn(C)n2)C1	554227092	ZTABYEGXERLDSW-UHFFFAOYSA-N	352.442	2.175	10	10	FECE	
NC[C@@H]1CCN(S(=O)(=O)c2cccc3nsnc23)c2ccccc21	634533175	GPXVAVFKOOSHMG-NSHDSACASA-N	360.464	2.333	10	10	FECE	
COC[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1C)c1ccccc1	804027747	GRIXNSIEOXDRDK-IBGZPJMESA-N	369.465	2.181	10	10	FECE	
Cc1cc(CC(=O)N2CCCS(=O)(=O)CC2)c(C)n1-c1ccccc1	827146580	GONKWXPAXRBKQE-UHFFFAOYSA-N	360.479	2.284	10	10	FECE	
CCn1c(C(=O)NCc2cccc(OC)c2O)cnc1Br	901127903	PFVLTUZILLUINT-UHFFFAOYSA-N	354.204	2.310	10	10	FECE	
Cc1cc(CC(=O)N[C@H](CO)c2cnn(C)c2)c(C)n1-c1ccccc1	831300989	YONQVFRRHIBBOF-LJQANCHMSA-N	352.438	2.220	10	10	FECE	
Nc1ccc(CCNC(=O)C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cc1	842238409	PPRRVFSQEFSCLA-LJQANCHMSA-N	369.440	2.300	10	10	FECE	
O=C(NCCC[C@@H]1CCCN1)NCc1cc(Br)ccc1O	842003685	JKPNWDWOIZETRX-ZDUSSCGKSA-N	356.264	2.486	10	10	FECE	
C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCN(CC(F)(F)F)C1	840141718	XEQFPVULUIQBPL-ABAIWWIYSA-N	360.376	2.134	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCCN2C(=O)C(C)C)cc1	844854541	QPVXKWJYNBLKDO-SFHVURJKSA-N	361.486	2.237	10	10	FECE	
COc1ccc(N2CCN(CCN[C@H]3CCCc4c[nH]nc43)CC2)cc1	857849118	GEADKANXAQTHBP-IBGZPJMESA-N	355.486	2.208	10	10	FECE	
CN(C)C(=O)[C@H]1CCCN1CCCNCc1cc(F)c(N(C)C)cc1F	858120309	BSPHOHDJJYYRBY-QGZVFWFLSA-N	368.472	2.063	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CN(C4CC4)C[C@@H]3C)C2)cc1	852199732	CJHWTGINFUYXMC-DOXZYTNZSA-N	358.486	2.056	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3C[C@H]4CC[C@H]3[C@@H](CO)C4)C2)cc1	852387674	TZCISYNSQOZPSZ-XLSPSMHOSA-N	373.497	2.324	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cc(CN4CCCC4)on3)C2)cc1	855223487	ARLBCBUDGDZBSR-OAHLLOKOSA-N	370.453	2.288	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3C[C@@H]4[C@@H](C3)[C@H]3CC[C@H]4CN3)ccc21	861567195	AOVMQBXJWNQIES-INDMIFKZSA-N	354.498	2.208	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCC(N3C(=O)O[C@H]4CNC[C@H]43)CC2)cc1	863642924	CPWOWOTUBUYJDR-WGLWSTOQSA-N	370.497	2.023	10	10	FECE	
O=C1C[C@@H](CN2C(=O)CN(Cc3ccccc3O)C2=O)Oc2ccccc21	865330083	OFDWSXUWTOQEID-AWEZNQCLSA-N	366.373	2.190	10	10	FECE	
C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	897807486	AGNQFSXYWMLFJY-JZGRTCEGSA-N	353.466	2.087	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H](Cn2ccnn2)C1	897165461	WSJVWEUTTPJAGG-NSHDSACASA-N	358.423	2.456	10	10	FECE	
CCn1c(O)nc2cc(C(=O)N[C@@H](C)c3ccccc3O)ccc2c1=O	1151891844	BAFFOPREJGYIOM-NSHDSACASA-N	353.378	2.319	10	10	FECE	
COc1cc(Cl)cc(CNCC2(O)CN(C(=O)OC(C)(C)C)C2)c1O	1659637848	JBWAWOCEBQVDBO-UHFFFAOYSA-N	372.849	2.126	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(C)(C)c3cnc[nH]3)CC2)c(OC)c1	1330603392	LKKVXKDRDMBIET-UHFFFAOYSA-N	358.442	2.053	10	10	FECE	
O=C(NCc1cccc(O)c1O)C1CCN(C(=O)c2ccccc2)CC1	1347541262	FAOIWACWTSBBLW-UHFFFAOYSA-N	354.406	2.266	10	10	FECE	
CO[C@](C)(CNC(=O)c1cc(O)c(O)c(O)c1)COCc1ccccc1	2132350096	KLKUUOLJLZLCGA-LJQANCHMSA-N	361.394	2.155	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(Cc2ccc(O)c(O)c2)C1	2136387999	OYNGIAPXLVJBON-CHWSQXEVSA-N	366.414	2.040	10	10	FECE	
C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H](C)O1	1463861331	OXHICVXZODLIEF-CHWSQXEVSA-N	361.446	2.467	10	10	FECE	
C[C@@H](c1ccncc1)N1CCC(NC(=O)Cc2ccc(O)c(O)c2)CC1	1632294473	OFHKKEYUYOUPIJ-AWEZNQCLSA-N	355.438	2.377	10	10	FECE	
CCO[C@@H]1[C@@H](C)[C@H]1C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O	1632702034	UEGIHNWHYKDNCG-AMKSKSKJSA-N	355.818	2.218	10	10	FECE	
COCCNc1nc(CC(=O)NCc2cccc(Cl)c2O)cs1	1647830308	QZMKKSKSOACSIQ-UHFFFAOYSA-N	355.847	2.419	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2CCCC[C@H]2O)N(C)C)cc1	1676653819	YINNOMDPSHBXGM-QXAKKESOSA-N	362.518	2.206	10	10	FECE	
Cc1cccc(CNC(=O)[C@H]2OCC[C@@H]2CNC(=O)OC(C)(C)C)c1O	2139743446	KVNTVUWRYRPZSU-ZBFHGGJFSA-N	364.442	2.247	10	10	FECE	
COc1ccc(CN[C@@H](CNC(=O)[C@@H]2CCN(C)[C@@H]2C)C2CC2)cc1C	1690151376	KIRHUDPKCDUNNT-LZQZEXGQSA-N	359.514	2.328	10	10	FECE	
Cc1cccc(N2CCN(C(=O)CNCc3cc(C)ccc3O)CC2)c1	1857868037	ODTCGQPWNHMVCS-UHFFFAOYSA-N	353.466	2.447	10	10	FECE	
CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)NCCN=[N+]=[N-])C1	1963815650	AYSAJPYELGAWOL-PBHICJAKSA-N	361.402	2.229	10	10	FECE	
C[C@@H](O)c1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)c(Br)c1	2148779853	ACCXTOHBBMVDSI-MNOVXSKESA-N	362.289	2.373	10	10	FECE	
CC(C)NCc1ccc(N2CC(S(C)(=O)=O)C2)cc1Br	2152286951	SZUHWJVOYGSPMT-UHFFFAOYSA-N	361.305	2.180	10	10	FECE	
COc1ccc([C@H](C)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c(O)c1	2032622524	HTJYSVKVACIWRJ-CQDKDKBSSA-N	352.431	2.344	10	10	FECE	
CN1CCc2cc([C@H](N)[C@]3(O)CCC34CN(C(=O)OC(C)(C)C)C4)ccc21	2179699118	BCSOUISDITYHLO-LAUBAEHRSA-N	373.497	2.441	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H](CN=[N+]=[N-])C1)[C@H]1CCCO1	2060638001	QUQIIFYFEPXMEQ-UPJWGTAASA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CN(Cc2cc(N)ccc2O)[C@@]2(CCOC2)C1	2106753387	IHLVJPCLZXYRMK-BEFAXECRSA-N	363.458	2.233	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C(=O)N3CC[C@H](N=[N+]=[N-])C3)O[C@@H]2C1	2273721926	LTOOVMKQOXDPQU-IGQOVBAYSA-N	365.434	2.312	10	10	FECE	
C[C@H]1OC2(C(=O)N3CC[C@H](CN=[N+]=[N-])C3)CC1(NC(=O)OC(C)(C)C)C2	2266071086	VBGHIJVUPLFMPF-VDQHWBOFSA-N	365.434	2.360	10	10	FECE	
CCN(CCO)C(=O)CCCN1C(=O)C(=Cc2ccco2)SC1=S	2297477435	KGJSFAYTTYNRPY-UHFFFAOYSA-N	368.480	2.102	10	10	FECE	
CCN1CCC[C@H]1CN(C)C(=O)C=Cc1ccc(N2CCOCC2)cc1	2297760198	YENAVZUGRYUNME-FQEVSTJZSA-N	357.498	2.479	10	10	FECE	
CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCCC(=O)O	2314935201	NNILKXIXMLUMRH-UHFFFAOYSA-N	353.421	2.428	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2312333681	XJAFGKWNHPOQNA-BFQNTYOBSA-N	353.423	2.096	10	10	FECE	
CCOc1ccc(-n2c(C)cc(C(=O)CN3CCNC(=O)CC3)c2C)cc1	103470771	MPACZCUQKRKWRM-UHFFFAOYSA-N	369.465	2.497	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N1C[C@@H]2CC[C@H](C1)O2	1348536978	WIORSMYXFZHWIL-KDURUIRLSA-N	371.481	2.025	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCO[C@H](C(F)F)C1	194075976	OAXSLUFNCYMUNO-HNNXBMFYSA-N	371.453	2.415	10	10	FECE	
COC(C)(C)CNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	93992169	DLGUNTJGRUDUKI-UHFFFAOYSA-N	374.529	2.443	10	10	FECE	
O=C(c1cc(O)nc(O)c1)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1	238866065	LUPNNBZRCNVADU-LLVKDONJSA-N	369.299	2.200	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCOc4cccc(F)c4C3)cc2N1	377113521	KDVJNJFTXWSPQO-UHFFFAOYSA-N	359.313	2.464	10	10	FECE	
COC1CCC(CNC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1	806946763	PNANZHLOGLMCRQ-KSTDHSDQSA-N	361.486	2.251	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3nnn(C(C)C)c3C)CC2)cc1F	292324466	BPFRAZJKQBZHMS-UHFFFAOYSA-N	361.421	2.278	10	10	FECE	
COc1n[nH]c(NC(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)n1	573768228	UKADYPZWYMYYBF-UHFFFAOYSA-N	368.441	2.173	10	10	FECE	
COc1cc(O)c(CNCC2CCN(C3CCOCC3)CC2)cc1OC	826815676	NYCNSEMEEHOMGS-UHFFFAOYSA-N	364.486	2.390	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCN(C(=O)c2cccs2)CC1	588406071	RCZYHIVKZYSACM-XQRVVYSFSA-N	358.419	2.157	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)N[C@@H](C)C3CCCC3)C2)cc1	824934788	HAMPAQHZOSFYIJ-JKSUJKDBSA-N	373.497	2.333	10	10	FECE	
CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)cc2C)[C@@H]1n1cccn1	836494440	HYOZTPVLNKXDES-QRVBRYPASA-N	371.485	2.475	10	10	FECE	
Cc1nsc(N2CCCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)n1	588405853	WHEOEMPCEQSQIH-XQRVVYSFSA-N	360.439	2.010	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N(C)Cc3nnc(C)s3)C2)cc1	852450734	TVXXLFBDHTVTAE-CYBMUJFWSA-N	361.471	2.275	10	10	FECE	
CC(C)C1CN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1	753577488	CGUVBLLYJQUQRZ-MRXNPFEDSA-N	358.486	2.186	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCCOC(C)(C)C)CC2)cc1F	753882534	AFCAWKJFBBQVQX-UHFFFAOYSA-N	353.438	2.481	10	10	FECE	
CSc1c(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cnn1C	856213768	WVHFHVBTLAOWTO-UHFFFAOYSA-N	360.483	2.033	10	10	FECE	
CCOC(=O)C[C@H](O)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C	863834873	NWDPWLHUWDJLND-SFHVURJKSA-N	358.438	2.067	10	10	FECE	
O=C(/C=C\COC1CCOCC1)NCc1ccc(N2CCC(O)CC2)cc1	869295249	OWCZFJNFGQTFDD-UPHRSURJSA-N	374.481	2.016	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC[C@@H](OC(F)F)C1	781353489	KTXHPPVIKXNXHY-MRXNPFEDSA-N	355.429	2.415	10	10	FECE	
CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1NCc1cccc(O)c1O	385449424	XVICFGPVXLNJDA-NWANDNLSSA-N	352.431	2.258	10	10	FECE	
COC(=O)[C@@H]1[C@@H](CNCc2cc(Br)ccc2O)C1(F)F	894755042	MGYGUBBLMYOHJG-KOLCDFICSA-N	350.159	2.299	10	10	FECE	
C[C@@H](NC(=O)C(=O)NCC[C@@H]1CC(C)(C)CO1)c1ccc(N(C)C)cc1	897865688	MAJGIBMIHTWHIV-RHSMWYFYSA-N	361.486	2.251	10	10	FECE	
Cc1ccc(C(=O)NCc2ccc(OCC(F)(F)F)nn2)c(O)c1O	1300610981	RIYVWNRHRZBEPH-UHFFFAOYSA-N	357.288	2.067	10	10	FECE	
COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCc1cc(C)ccc1O	1167290859	NJAIVPDCCBIEBP-UHFFFAOYSA-N	374.349	2.125	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc[nH]1)C(=O)NCc1ccccc1O	2124027818	LPPBWLZNCXJOOD-HNNXBMFYSA-N	359.426	2.473	10	10	FECE	
Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2124511636	GHYJVTLSGGKJAS-LBPRGKRZSA-N	363.422	2.360	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCC(N=[N+]=[N-])CC1)[C@H]1CCOC1	2124505282	JTQTYHQAFCWBLO-JSGCOSHPSA-N	367.450	2.465	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)NC[C@]3(O)CCOC3)c2C)c1	1254075432	ZJXKSOVDPGFVHZ-HXUWFJFHSA-N	357.454	2.353	10	10	FECE	
O=C(C(=O)N1C[C@@H]2[C@@H](C[C@H]2c2ccccc2)C1)N1Cc2cccc(O)c2C1	1332080086	WCINRRQCTZICDI-OKZBNKHCSA-N	362.429	2.497	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H]2[C@H](C1)C2(F)F)c1ccc(N(C)C)cc1	1350791217	JITSHWOQLIPPRC-YOENINGUSA-N	365.424	2.480	10	10	FECE	
COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(O)c(O)c1	1442500876	NWVKAECHSHRCPF-UHFFFAOYSA-N	363.797	2.496	10	10	FECE	
COc1nccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n1	1516809127	ADQQEVOIHAFTEB-CHWSQXEVSA-N	374.416	2.168	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1CCCN1C[C@H](C)O[C@H](C)C1	1511778648	ILUPONOKARCRML-IYBDPMFKSA-N	373.501	2.428	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)n1nnnc1C(C)(C)C	1297562473	MBKUEVQKIRDLSW-LLVKDONJSA-N	352.435	2.039	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H]2C[C@@H](C)CN2C1	1627013641	ICFMXGSYWRRCMC-KBAYOESNSA-N	374.481	2.404	10	10	FECE	
O=C(CCC(=O)N1CCc2sccc2C1)NCc1cc(O)ccc1O	1558173970	ANLANURYLDICIR-UHFFFAOYSA-N	360.435	2.141	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3CCCN(CC(F)F)C3)CC2)cc1	1566326595	RSTQXWOQTNLVGJ-HNNXBMFYSA-N	367.440	2.321	10	10	FECE	
CS(=O)(=O)Nc1ccc(C(=O)NCc2c(O)ccc3ccccc23)cn1	1635968444	AMTWULHXYFBHGX-UHFFFAOYSA-N	371.418	2.242	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(-n3nnnc3C)cc2)c1	1595806422	KBDSNBBEJXUNSM-NSHDSACASA-N	353.382	2.176	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@H](CN=[N+]=[N-])C1)[C@@H](O)C(C)(C)C	1878002803	XRZYLZMXDGWQOU-RWMBFGLXSA-N	369.466	2.446	10	10	FECE	
CN(C)c1ccc([C@H](CN)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)cc1	1881974358	XAVSLFUPUREXPQ-BZSNNMDCSA-N	360.502	2.446	10	10	FECE	
Cc1cc(NS(=O)(=O)c2cc(Br)nn2C)c(C)cc1O	1968511230	FIBJOMIACVSYDY-UHFFFAOYSA-N	360.233	2.306	10	10	FECE	
CS(=O)(=O)C[C@@H]1CCCCN1c1ccc(CO)cc1Br	2151290683	YLCMKJRYABHZMP-LBPRGKRZSA-N	362.289	2.345	10	10	FECE	
CN(C(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C1CC(OCc2ccccc2)C1	2156442823	OOCHDFVRYOBERW-ABHNRTSZSA-N	370.449	2.174	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@H](NCc3cccc(F)c3O)CO[C@H]2C1	2057954308	RUQMFUAJACVYFO-CFVMTHIKSA-N	352.406	2.255	10	10	FECE	
COc1ccc(N2C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)cc1OC	2219643028	MUOINFQVZKETLS-JSGCOSHPSA-N	352.431	2.168	10	10	FECE	
CC(C)(C)OC(=O)NC12COC(C(=O)NCC3(CN=[N+]=[N-])CC3)(C1)C2	2254816250	FQNYOZNRRYQJRH-UHFFFAOYSA-N	351.407	2.019	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2OCC[C@@]2(C(=O)N2CCC(N=[N+]=[N-])CC2)C1	2278888302	SUXRYWQLSOVRJY-CXAGYDPISA-N	365.434	2.314	10	10	FECE	
Cc1occc1C(=O)NC1CCN(C(=O)C=Cc2ccc(O)c(O)c2)CC1	2308000665	IMBRZLNZGGNUFC-UHFFFAOYSA-N	370.405	2.433	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NCc3cccc(O)c3O)C[C@@H]21	2343107712	AOMMUVDBZBMYJV-IJEWVQPXSA-N	364.442	2.354	10	10	FECE	
CC(C)(C)OC(=O)NCC[C@@](C)(NCc1ccc2c(c1)CCO2)C(=O)O	2351449542	JXVWWDPGOSOYNK-LJQANCHMSA-N	364.442	2.469	10	10	FECE	
CN1CCCc2cc(CNC(=O)Nc3ccc(CC(N)=O)cc3)ccc21	58516655	DYKZOWVMMXAEIM-UHFFFAOYSA-N	352.438	2.419	10	10	FECE	
O=c1[nH]c2ccc(S(=O)(=O)Nc3nc(-c4ccccn4)cs3)cc2o1	66247589	VUQDBMLEWZFBKR-UHFFFAOYSA-N	374.403	2.440	10	10	FECE	
COc1cc2c(c(O)c1Cl)C(=O)c1c(O)cc(C[C@H](C)O)cc1C2=O	14819816	FKVUTJLGAVQJOM-ZETCQYMHSA-N	362.765	2.459	10	10	FECE	biogenic
C[C@@H]1CN(C(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c2ccccc21	134611774	DZEFFXFNKQUXKU-CHWSQXEVSA-N	354.406	2.295	10	10	FECE	
O=C1/C(=C\c2ccccc2F)SC(=S)N1CCN1CCOCC1	96935897	XMMBFNFFMIVKIL-SDNWHVSQSA-N	352.456	2.359	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3CCc4ccnc(O)c4C3)ccc21	372815837	QTKBNSNDQGLRTF-UHFFFAOYSA-N	352.438	2.438	10	10	FECE	
CN(CCS(C)(=O)=O)c1ccc(/C=C\C(=O)O)cc1Br	379928121	ZTOMQUNZVABBAK-XQRVVYSFSA-N	362.245	2.028	10	10	FECE	
C[C@H](CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@@H]1CCCO1	822937733	LZLUPWNTUPYMKM-AYBZRNKSSA-N	373.497	2.210	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCCN(C)C1=O	826527956	ZPIOVTQGDWDWBK-CYBMUJFWSA-N	369.259	2.372	10	10	FECE	
CC(=O)N1CC(OC(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)C1	836039538	GKRPUJNKAYMZGX-UHFFFAOYSA-N	369.465	2.182	10	10	FECE	
CC(=O)C(=O)COC(=O)Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2	838228502	XBXPJIIMUCPMDO-UHFFFAOYSA-N	361.394	2.228	10	10	FECE	
O=C(CCc1ccon1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	831561394	LYLIEUXIYMFVEX-UHFFFAOYSA-N	368.481	2.456	10	10	FECE	
COC(=O)[C@@H](C)N(C(=O)/C=C\c1ccc(N2CCOCC2)cc1)C1CCC1	588583078	MQNMGKJQSUBZMI-JXMNSVBMSA-N	372.465	2.479	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2ccc3nc(CO)[nH]c3c2)cc1	911894016	WHWDCOSZLYRZJR-UHFFFAOYSA-N	368.437	2.272	10	10	FECE	
O=C(O)CN(Cc1ccccc1O)C(=O)CCc1ccc2c(c1)OCCO2	911486555	POUKBZMKIILRNT-UHFFFAOYSA-N	371.389	2.209	10	10	FECE	
CO[C@H]([C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C1(N)CC1	1952829135	IDIHCZKDDLKFKN-SWLSCSKDSA-N	352.431	2.040	10	10	FECE	
COc1ccc(N(C)CCN(C)CCc2nnnn2-c2ccccc2)cc1	844399083	GCFVWSHVTPJMMD-UHFFFAOYSA-N	366.469	2.282	10	10	FECE	
O=C(NCc1c(O)cccc1F)[C@@H]1CCCN1C(=O)c1ccccc1O	928707131	ASEBRGMTWYWKEH-HNNXBMFYSA-N	358.369	2.158	10	10	FECE	
COc1ccc(N2CCN(CCCN[C@H]3C[C@@H](N)C34CCC4)CC2)cc1	925521809	WRRRSNZUNQYQKG-UXHICEINSA-N	358.530	2.067	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC(O)(c4ccccc4)C3)C2)cc1	854297649	PZEPFQKUPZGAIG-QGZVFWFLSA-N	367.449	2.187	10	10	FECE	
COc1ccc(N2CC[C@H](NCc3cn(Cc4cccnc4)nn3)C2)cc1	850347412	RWSATNNUPACFCI-KRWDZBQOSA-N	364.453	2.099	10	10	FECE	
Cc1cc(O)c(CN2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)cc1C	853530167	BZWFMIJGZXJESJ-JSGCOSHPSA-N	351.390	2.416	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCOC[C@H]3C3CCC3)C2)cc1	854296225	HVJNTTMGEXDQHX-APWZRJJASA-N	359.470	2.484	10	10	FECE	
COC(=O)c1coc(C(=O)NCc2cccc(Br)c2O)c1	765751191	RNZLTDWCDSJBBF-UHFFFAOYSA-N	354.156	2.464	10	10	FECE	
CC(=O)C(C)(C)CCC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	773287722	XSXIZRLTVJREPC-KRWDZBQOSA-N	373.497	2.400	10	10	FECE	
CCOC(=O)c1cnc(N2CCN(Cc3cc(F)ccc3O)CC2)s1	779022802	HCGONMGWMVHVDG-UHFFFAOYSA-N	365.430	2.487	10	10	FECE	
CC1=C[C@H](C)CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	797525594	BIPGYWPYIAVBLC-HNNXBMFYSA-N	361.461	2.177	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)NC3CCC=CCC3)C2)cc1	1333977813	GUBIPSKRXPAMLP-MRXNPFEDSA-N	357.454	2.005	10	10	FECE	
Nc1n[nH]c(CCNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)n1	1186639667	LXMBGUMWLRKEQP-UHFFFAOYSA-N	352.354	2.181	10	10	FECE	
Nc1cc2c(cc1N(Cc1ccccc1)[C@H](CO)C1CC1)NC(=O)CO2	1915170189	PAYYIDYZUSCNII-GOSISDBHSA-N	353.422	2.377	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1	1456235923	PMRKWZFWVPNCPS-CYBMUJFWSA-N	361.442	2.078	10	10	FECE	
COC(=O)c1ccc(OCCNC(=O)c2ccc(N=NC(N)=O)cc2)cc1	1543253741	PJSQMCMPEFTROK-UHFFFAOYSA-N	370.365	2.444	10	10	FECE	
C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1NC(=O)CCCF	1702276451	ULVRBZJALZYJJM-BXUZGUMPSA-N	363.393	2.175	10	10	FECE	
CCC[C@H](CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1)OCC	1674776917	AYWVYXYAEIOHLZ-LJQANCHMSA-N	362.518	2.443	10	10	FECE	
C[C@H]1OCC[C@]1(O)Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1O	1763277205	ZXKCYOUAHJPLEE-VLIAUNLRSA-N	372.469	2.113	10	10	FECE	
Cc1ccc(O)c(CNC(=O)NCc2nc(COc3ccccc3)n[nH]2)c1	1686178271	XORRUINNZNKYMF-UHFFFAOYSA-N	367.409	2.397	10	10	FECE	
Cc1cccc(CNC(=O)[C@H](CCN(C)C)NC(=O)OC(C)(C)C)c1O	2139759362	XKITXYHNDVJMSX-HNNXBMFYSA-N	365.474	2.162	10	10	FECE	
Cc1cc(Br)c2c(c1)/C(=C1\SC(=S)N(N)C1=O)C(=O)N2	19843132	WJPAQGCMAVKUFN-VQHVLOKHSA-N	370.253	2.155	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1	1964873216	FLZHSFSVLWAFMO-GDBMZVCRSA-N	364.442	2.423	10	10	FECE	
C[C@H](N)c1ccc(N2C[C@@H]3[C@H](CCS3(=O)=O)C2)cc1Br	2145071360	GOAHZDRWWLJTIT-IMSIIYSGSA-N	359.289	2.092	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C(CNCc3ccc(O)c(O)c3O)[C@H]2C1	2027109017	GZZNZWVCBNFNKO-CHWSQXEVSA-N	350.415	2.006	10	10	FECE	
O=C(O)[C@H]1COCCN1Cc1cc(Cl)cc(Br)c1O	708076129	SKRWCSFVURPVMS-SNVBAGLBSA-N	350.596	2.094	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2CN(c3cc4c(cc3N)OCC(=O)N4)C[C@H]21	2188886677	AFZKIHNPWURBSQ-IAQYHMDHSA-N	374.441	2.045	10	10	FECE	
C[C@@H]1C[C@@](O)([C@@H](N)c2ccc3c(c2)CCN3C)CN1C(=O)OC(C)(C)C	2106848356	HSOUUDQIBIWJEP-VOWSPCBNSA-N	361.486	2.439	10	10	FECE	
COc1ccc(N2CC[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)C2)c(OC)c1	2226807138	VEQJFULNYIEVHP-DZGCQCFKSA-N	366.458	2.416	10	10	FECE	
CSc1ncc(CN=c2[nH]cncc2I)s1	2243774297	YZADFQBFANNGIU-UHFFFAOYSA-N	364.237	2.294	10	10	FECE	
C[C@H](O)[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S	2323823666	DEFXSMHZBJNPTD-CPCISQLKSA-N	357.840	2.375	10	10	FECE	
C[C@@H](c1cc(Br)ccc1O)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1	2353953453	VASOITXIUCEOIR-PKFCDNJMSA-N	360.273	2.335	10	10	FECE	
O=C1CN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3c3ccccc3F)cc2)CCN1	106263484	DZJSEVORSDQROB-QZTJIDSGSA-N	367.424	2.182	10	10	FECE	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)cc1F	73915424	KSKWLLICQWIMSQ-OAHLLOKOSA-N	374.464	2.093	10	10	FECE	
CN(C)c1ccc(CN2C[C@@H]3CN(C(=O)c4cscn4)C[C@H]3C2)cc1	96080975	FUEPBCXQIGVXAL-HZPDHXFCSA-N	356.495	2.413	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CC1(c2ccc(O)c(O)c2O)CC1)C(=O)O	1952532629	MXJHYXSKZLKAAQ-SNVBAGLBSA-N	353.371	2.203	10	10	FECE	
Cc1oc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1S(C)(=O)=O	625916364	RSRVGORJAPDFIM-UHFFFAOYSA-N	364.423	2.097	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)c1cnc2nccnc2c1	804737454	RSKZMJPYIVIUCW-UHFFFAOYSA-N	359.183	2.423	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc(C(F)(F)F)nn3C)CC2)cc1	822196901	ANHXRPPWBWRUAV-UHFFFAOYSA-N	368.359	2.410	10	10	FECE	
CO[C@H](CS(=O)(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1	827183642	NWMREUGNSWJTJV-FUHWJXTLSA-N	369.483	2.128	10	10	FECE	
COC[C@@H](C)n1ccc(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)n1	822811465	FUJSNRUEMIXSMI-CABCVRRESA-N	373.457	2.500	10	10	FECE	
Cc1cc(CC(=O)NCc2nnc(S)n2C)c(C)n1-c1ccccc1	826084117	UEPKRRQKHBFKKZ-UHFFFAOYSA-N	355.467	2.370	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)c1ccc(F)cc1	730109401	GTMMIRFKXRVLKH-UHFFFAOYSA-N	374.387	2.425	10	10	FECE	
CN(CC1(N(C)C)CCC1)C(=O)/C=C\c1ccc(N2CCOCC2)cc1	588545516	HBPDIWMIVGDQIJ-YFHOEESVSA-N	357.498	2.479	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)NCC23CC(CN2)C3)CCCC1	662715572	URVNPDQXXAAHIL-UHFFFAOYSA-N	353.466	2.397	10	10	FECE	
C[C@H]1CCN(c2cc(C(=O)NC[C@@H](N)c3ccc(N(C)C)cc3)ccn2)C1	832266300	DPUMRFFIXUBEKV-HNAYVOBHSA-N	367.497	2.424	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CCO[C@H]1C1CC1	907220609	KNGRRXMCRHWMFQ-PBHICJAKSA-N	367.829	2.362	10	10	FECE	
COC(=O)/C(C)=C/CNC(=O)NCc1ccc(N2CCSCC2)cc1	914200396	HXJBDGJTADYUIN-VGOFMYFVSA-N	363.483	2.158	10	10	FECE	
COc1cnc(F)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1	846824081	GZYKAUCVVCBMBH-UHFFFAOYSA-N	363.364	2.135	10	10	FECE	
CCN(C)Cc1cc(O[C@H]2CCN(C(=O)c3cccc(O)c3O)C2)ccn1	856628794	ANZXOEJYBDQEHB-INIZCTEOSA-N	371.437	2.238	10	10	FECE	
CC[C@]1(CO)CCCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	854298335	ASLLTIAVMNHNFD-UZLBHIALSA-N	361.486	2.468	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ncc2c(F)cccn12	858724580	QUYRHWMJVRIQKE-UHFFFAOYSA-N	354.385	2.240	10	10	FECE	
COCCc1ccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1	775287596	DKPXMIZPDGKRED-UHFFFAOYSA-N	352.368	2.290	10	10	FECE	
CCN(Cc1cc(C)cc(Br)c1O)[C@@H]1CCS(=O)(=O)C1	781895477	TXSUSJHJYLZCDN-GFCCVEGCSA-N	362.289	2.472	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(C)(C)n3cnc(C)c3)CC2)c(OC)c1	899160625	RNVRGPIHXFNLBN-UHFFFAOYSA-N	372.469	2.293	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)c2nn(-c3cccnc3)nc2C)c1	1137473151	AHFKRNJNDWTBBX-LLVKDONJSA-N	353.382	2.176	10	10	FECE	
C[C@H]1CS(=O)(=O)C[C@@H]1NCc1cc(Cl)cc(Br)c1O	711667126	WNJGGICGVDDSIQ-CPCISQLKSA-N	368.680	2.331	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)N2CC(O)(c3nccn3C)C2)c1C	1302972451	CZNYAOYGJFYUGY-UHFFFAOYSA-N	364.449	2.480	10	10	FECE	
COC[C@H](C)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1O	1315782207	POTMDOFNCCPYQW-CQSZACIVSA-N	368.441	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N3CC[C@H](N=[N+]=[N-])C3)c2C1	2124505873	QCCQLHMUTSEQPQ-NSHDSACASA-N	361.406	2.159	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC1(C)CC(F)(F)C1	1338680677	MVZVEPZNWLSDJA-UHFFFAOYSA-N	353.413	2.229	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(C)CCCN1C(=O)c1cc(O)c(O)c(O)c1	2132404990	WCZMXEZUOLXPRU-SFHVURJKSA-N	366.414	2.323	10	10	FECE	
COC[C@H](F)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccccc1O	1504607188	GXSJRKQYYFWMJY-GDBMZVCRSA-N	364.421	2.456	10	10	FECE	
Cc1nnc(N2CCN(C(C)C)CC2)n1Cc1ccc(N(C)C)c(F)c1	1543306991	VDFFAHOPCUZUTE-UHFFFAOYSA-N	360.481	2.370	10	10	FECE	
COc1ccc(CNC(=O)[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)c(O)c1	1639458739	FKRIFLIZBKVCQR-JSGCOSHPSA-N	350.415	2.178	10	10	FECE	
COc1ccc(CNC(=O)NCCCONC(=O)OC(C)(C)C)c(O)c1	1638691714	NRULGMRGULYQHN-UHFFFAOYSA-N	369.418	2.046	10	10	FECE	
NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(CO)c(F)c3)c2)CC1	1634082606	RJMMCMHJIOUVAB-UHFFFAOYSA-N	371.412	2.272	10	10	FECE	
CNc1nnc(CC(=O)Nc2c(-c3ccccn3)nc3ccccn23)s1	1641972005	KUQPXUUAXWPQCD-UHFFFAOYSA-N	365.422	2.471	10	10	FECE	
COc1ccc(OC)c(NC(=O)CCN2C(=O)[C@@H](C)SC2=S)c1	11636004	FVPSDJYWFIELNH-SECBINFHSA-N	354.453	2.281	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC1(F)CC1	2141383579	PDKLVCCURSKKSM-LBPRGKRZSA-N	368.405	2.152	10	10	FECE	
COc1cccc(CN[C@H]2COCC[C@H]2NC(=O)OC(C)(C)C)c1O	2031528206	NMKXDLWKAYJKJT-KGLIPLIRSA-N	352.431	2.173	10	10	FECE	
O=C(N1CCCC[C@H]1CNCc1cc2c(cc1O)OCO2)C(F)(F)F	401198313	NASPCABWVHPVRD-NSHDSACASA-N	360.332	2.154	10	10	FECE	
CC1=NN(c2ccccc2)C(=O)C1=CNNc1ccc(S(=O)(=O)O)cc1	2059852658	HDZACVNWJFAWLS-UHFFFAOYSA-N	372.406	2.156	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(C)(C)C	2315987321	QTILMWGHSMSTGU-NEPJUHHUSA-N	357.455	2.446	10	10	FECE	
CCN(CC(=O)Nc1ccc(N)cc1)C[C@@H](C)NC(=O)OC(C)(C)C	2044668256	DYAYHEORQHJCFG-CYBMUJFWSA-N	350.463	2.442	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](CC(=O)C(=O)C[C@H]1C[C@H](N)C1)C(F)(F)F	2059441933	ROTFIROVOOSULT-GMTAPVOTSA-N	366.380	2.345	10	10	FECE	
COc1ccc([C@H](C)NC[C@](C)(CO)NC(=O)OC(C)(C)C)c(O)c1	2060806791	JFBTWMXTXRCRHV-KPZWWZAWSA-N	354.447	2.327	10	10	FECE	
Cc1cccc(CNC(=O)[C@]2(NC(=O)OC(C)(C)C)CCOC2)c1O	2084062294	DCJAKHWFJAWTNU-SFHVURJKSA-N	350.415	2.001	10	10	FECE	
CCON(CCNC(=O)OC(C)(C)C)C(=O)CCOc1ccc(N)cc1	2106725680	PUMIQJIZOOPHMK-UHFFFAOYSA-N	367.446	2.343	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]12CC[C@@H]1CN(CC(=O)Nc1ccc(N)cc1)C2	2106758600	ZHCSVGCSKIZVEX-BFUOFWGJSA-N	360.458	2.196	10	10	FECE	
Cc1ccc(N2C(=O)C(=CNN3CCCCCC3)C(=O)NC2=S)cc1	2297056966	CLGATWZABYXBTN-UHFFFAOYSA-N	358.467	2.007	10	10	FECE	
O=C(N1CCc2cc(O)c(O)cc2C1)N1CC(OCc2ccccc2)C1	2341211556	YKEYUMQNDABFNN-UHFFFAOYSA-N	354.406	2.477	10	10	FECE	
Cc1cc(C(=O)NC[C@H](c2cnn(C)c2)N(C)C)c(C)n1-c1ccccn1	117842560	RNNUPZBYWCICSO-GOSISDBHSA-N	366.469	2.255	10	10	FECE	
C[C@@H](NCCNC(=O)c1ccco1)c1ccc(N2CCC(O)CC2)cc1	178488187	DGTFFLXJKQCMSK-OAHLLOKOSA-N	357.454	2.321	10	10	FECE	
CN1C(=O)/C(=C\Nc2ccc(CN3CCCCC3)cc2)C(=O)N=C1S	102544887	FCGJNNWZDRXEIS-PTNGSMBKSA-N	358.467	2.253	10	10	FECE	
C[C@@H]1CN(Cc2cc(Br)ccc2O)C[C@@H]1N1CCOCC1	180224110	BDBUCASWGVFBKW-DOMZBBRYSA-N	355.276	2.307	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)NCc1nnc2ccccn12	48021980	BGQMQHYQFPQEDA-UHFFFAOYSA-N	350.426	2.329	10	10	FECE	
COc1ccc(N2CCN(c3nncc(N4CCC[C@H](C)C4)n3)CC2)cc1	243981010	SDCYJJYYSBRYDD-INIZCTEOSA-N	368.485	2.443	10	10	FECE	
CCOC(=O)[C@@H](CCOC)NC(=O)c1cc(C)n(-c2ccccn2)c1C	281145144	AKSRPKLMXKDZOR-MRXNPFEDSA-N	359.426	2.187	10	10	FECE	
Cc1cc(COCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)on1	801177327	OPCAKOBLGXDGBE-INIZCTEOSA-N	360.410	2.413	10	10	FECE	
NC(=O)c1cc(Cl)nnc1NCc1cc(Br)ccc1O	804828493	QQNKJDGDJGUTGW-UHFFFAOYSA-N	357.595	2.309	10	10	FECE	
CCCNC(=O)Cn1nc(Cc2ccc(N)cc2)c2ccccc2c1=O	821186873	LDIJSPUZLLFDCV-UHFFFAOYSA-N	350.422	2.096	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)NC[C@@H](C)C(C)C)C2)cc1	824950109	HEJGASVFTFHWEQ-CVEARBPZSA-N	361.486	2.046	10	10	FECE	
CCC[C@H](C)[C@H](CO)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	823520129	UJZAFYXBMUJGPV-KXBFYZLASA-N	363.502	2.244	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCC[C@@H](CO)[C@H]2C(F)(F)F)cc1	828742322	BKEZSUVOPBPNIS-YOEHRIQHSA-N	373.419	2.004	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]([C@@H](N)Cc1ccc(O)c(O)c1)C(F)(F)F	1952963841	HWHUOAISIXDGDW-CABZTGNLSA-N	350.337	2.423	10	10	FECE	
Cc1cc(C)c([C@@H](C)NCC(=O)NCC(=O)NCc2ccccc2)c(O)c1	926962922	CLONAQJPVJXAHX-MRXNPFEDSA-N	369.465	2.092	10	10	FECE	
Cc1cc(CC(=O)NC[C@H]2CN3CCCN2CC3)c(C)n1-c1ccccc1	854355037	XUAOZFPZTFSWDB-NRFANRHFSA-N	366.509	2.143	10	10	FECE	
CCO[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)CN(C)C	926842663	CGTMDQRWVFAOFV-GFCCVEGCSA-N	364.273	2.465	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCCc4c(cnn4C)C3)C2)cc1	852986679	IQLDDJAARFQCSS-MRXNPFEDSA-N	369.469	2.165	10	10	FECE	
C[C@H](NC(=O)c1cccc2ncnn12)c1ccc(N2CCOCC2)cc1	753486098	RHUIMWSDAXFKEA-AWEZNQCLSA-N	351.410	2.057	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3cccc(CO)c3)C2)cc1	852230232	QSZWQIAJIYBIOE-QGZVFWFLSA-N	355.438	2.266	10	10	FECE	
C[C@H](NC[C@]12COCCN1C(=O)OC2)c1cccc(C(F)(F)F)c1O	866521790	PBSYJEGKGUWIGR-ZUZCIYMTSA-N	360.332	2.283	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)c1O	932024184	GIUBAKFZCDFPAH-SCLBCKFNSA-N	350.390	2.444	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CCCn2nccc21	868117776	YNVVITKWAZKHSX-MRXNPFEDSA-N	373.432	2.193	10	10	FECE	
COc1ccccc1NC(=S)NCc1cccc(N2CCOCC2)n1	774253533	BLBDQFNYZZWKMB-UHFFFAOYSA-N	358.467	2.413	10	10	FECE	
CCCN(CCC)c1ccc(CNCc2nnc3c(=O)[nH]ccn23)cc1	886292051	CEFABJCVUIBFKD-UHFFFAOYSA-N	354.458	2.334	10	10	FECE	
CC[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCCOC1	898463609	KFRPTBJGROGBSA-FUHWJXTLSA-N	361.486	2.032	10	10	FECE	
C[C@@H]([C@@H](C)N(C)C(=O)c1cc2cc(O)c(O)cc2s1)S(C)(=O)=O	896341714	HVLMAGLAIVTCLF-BDAKNGLRSA-N	357.453	2.206	10	10	FECE	
CC[C@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)[C@@H]1CCCOC1	897582809	DAPRVKWMVBMHEN-MSOLQXFVSA-N	373.497	2.007	10	10	FECE	
CCn1nc(C)c(N/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1C	1084050648	WBGPZMABIDQRSQ-XNTDXEJSSA-N	367.409	2.407	10	10	FECE	
CCn1c(O)nc2cc(C(=O)NCc3cc(Cl)ccc3O)ccc2c1=O	1300398122	BXOOJTAWCUIWET-UHFFFAOYSA-N	373.796	2.411	10	10	FECE	
C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)/C=C/c1ccc(O)c(O)c1	1163731798	SPBPHORYVKWQFZ-HMZXWZJTSA-N	372.343	2.169	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1	1298190928	BUCOTMPWVAFRDG-GXTWGEPZSA-N	365.393	2.270	10	10	FECE	
C[C@@H]1C[C@@H]1N(C)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136241520	ZXRCZAKQFNHFEU-XBFCOCLRSA-N	364.442	2.400	10	10	FECE	
COc1cccc(N(C)C(=O)C2=C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)c1	2136284301	CXJWUPSVCMLRCI-HOTGVXAUSA-N	362.426	2.242	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCSC[C@H]2CO)cc1	1545889417	UORIIEHINUQLCU-LJQANCHMSA-N	372.490	2.385	10	10	FECE	
COc1ccc(N(C)CC(=O)Nc2cc(-n3nnnc3C)ccc2F)cc1	1559969900	UPQHUHHCHKGNDY-UHFFFAOYSA-N	370.388	2.193	10	10	FECE	
O=C(NCc1cc(O)ccc1O)C1(C(=O)Nc2c(F)cccc2F)CC1	1643882301	SOVROEUFVJJJEI-UHFFFAOYSA-N	362.332	2.411	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H](C)Cc1cn(C)nn1	1651269882	GWINSSKKOZWLDX-CYBMUJFWSA-N	365.437	2.396	10	10	FECE	
CC(C)n1ncc2cc(/C=C\C(=O)N3CCCc4n[nH]cc43)c(=O)[nH]c21	1772979004	BOZVZPQQJIQHNX-WAYWQWQTSA-N	352.398	2.021	10	10	FECE	
CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	158305918	LBOYERZBQLRBJX-SFHVURJKSA-N	358.486	2.343	10	10	FECE	
CC[C@@H](NCCN1CCN(c2ncccn2)CC1)c1ccc(N(C)C)cc1	164282444	JSFLPZCSNOKTBH-HXUWFJFHSA-N	368.529	2.406	10	10	FECE	
COC(OC)[C@](C)(CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1	1881483595	RETOJOHSOHLZPG-IBGZPJMESA-N	367.490	2.484	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1	1968793194	VVSMMBFZFSFMIH-CYBMUJFWSA-N	364.442	2.284	10	10	FECE	
Nc1ccc(CC(=O)N[C@@H]2CN(Cc3ccccc3)[C@]3(CCOC3)C2)cc1	2154517021	KCEDIZZSJBUBMX-RBBKRZOGSA-N	365.477	2.361	10	10	FECE	
CN1CCc2cc([C@H](CN)N3CCN(C(=O)OC(C)(C)C)[C@@H]4C[C@H]43)ccc21	2194988410	NAPQJIURUJTNDU-QRVBRYPASA-N	372.513	2.372	10	10	FECE	
CC(C)(C)OC(=O)NC1(CO)CCN(C(=O)Nc2ccc(N)cc2)CC1	2106696562	RWJXGGQWAUFEIJ-UHFFFAOYSA-N	364.446	2.152	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(C(=O)COc1ccc(N)cc1)C2	2272649651	KYXRBPGAMNPWFW-BFUOFWGJSA-N	361.442	2.021	10	10	FECE	
CN[C@@H](c1ccc2c(c1)CCN2C)[C@@](O)(CF)CNC(=O)OC(C)(C)C	2265168319	OCIRWJRIHQXVEU-QFBILLFUSA-N	367.465	2.165	10	10	FECE	
O=C1NC(=O)N(c2cccc3ccccc23)C(=O)C1=CNN1CCCCC1	2296115757	JEBCXHYMRBTTIJ-UHFFFAOYSA-N	364.405	2.297	10	10	FECE	
COc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc([N+](=O)[O-])s2)C1=O	2296685640	XIRKSALHAUKBGO-UHFFFAOYSA-N	373.346	2.331	10	10	FECE	
C[C@](O)(CNC(=O)C=Cc1ccc(N2CCOCC2)cc1)c1ccco1	2297825029	ULCXFFQKFUWQIZ-FQEVSTJZSA-N	356.422	2.153	10	10	FECE	
CN[C@H](c1ccccc1O)[C@H](O)C1(NC(=O)OC(C)(C)C)CCOCC1	2341444284	AMIOMEWMOILTMB-CVEARBPZSA-N	366.458	2.088	10	10	FECE	
Cc1ccc(CN(C)CCCS(=O)(=O)O)c(O)c1Br	2352657465	SSWJCOSIXQZTSC-UHFFFAOYSA-N	352.250	2.173	10	10	FECE	
CO[C@H]([C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C(C)(C)O	1951994193	UNEMRXUDKFDXQF-SWLSCSKDSA-N	355.431	2.320	10	10	FECE	
CCN1CC[C@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)[C@H](C)C1	128620792	QXQWPLHAPRSICH-XLIONFOSSA-N	374.529	2.395	10	10	FECE	
O[C@H](C[C@@H]1COCCN1Cc1ccc(N2CCOCC2)cc1)c1ccco1	92040284	XNGGHZGQDFOZIU-WOJBJXKFSA-N	372.465	2.441	10	10	FECE	
c1cc(N2CCOCC2)ccc1CN1CCCC[C@H]1CN1CCOCC1	93011539	MBLSPWOMIBNLFP-NRFANRHFSA-N	359.514	2.210	10	10	FECE	
COc1ccc(N2CCN(c3nccc(NC[C@@H]4CCCO4)n3)CC2)cc1	242927262	GXHDSVUYCLASCO-SFHVURJKSA-N	369.469	2.403	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3[C@H]4CC[C@H]3[C@H](CO)C4)C2)cc1	824688115	WEOVXAZKZGYSQV-MRHSLFKSSA-N	359.470	2.076	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCCn1c(O)nnc1O	905461122	SYTGMKRTNJTJKV-UHFFFAOYSA-N	373.457	2.118	10	10	FECE	
Cc1cc(/C=C\C(=O)N2CC[C@H](CO)[C@@H](O)C2)c(C)n1-c1ccccc1	588617027	OSPKYUIGDQBLHP-VUNJVDIESA-N	354.450	2.309	10	10	FECE	
C[C@@H](NC(=O)[C@]1(C)C[C@@H](O)CN1C(=O)OC(C)(C)C)c1ccccc1O	913763983	XMPSWJSIGWDTLA-VPZZIHKRSA-N	364.442	2.330	10	10	FECE	
C[C@@H](NC(=O)N1CC[C@@]2(CCCNC2)C1)c1ccc(N2CCOCC2)cc1	841740954	LIJJWTKFPHGVQI-DYESRHJHSA-N	372.513	2.369	10	10	FECE	
CCOC(=O)[C@@H]1CCN[C@H]1c1cc(I)ccc1O	1952826193	VNOXHLLCCLMEFD-BXKDBHETSA-N	361.179	2.211	10	10	FECE	
O=C(NCc1c(O)cccc1F)NC[C@@H]1CCC2(CCOCC2)CO1	924001861	YFTJGUIHUUKGJF-ZDUSSCGKSA-N	352.406	2.306	10	10	FECE	
Cc1ccnc(COC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)n1	756147725	UBBINEUKIDQECF-UHFFFAOYSA-N	373.368	2.500	10	10	FECE	
C[C@@H]1CCC[C@H](CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)O1	851989942	MIKJPNZBJDQWKQ-GDBMZVCRSA-N	365.449	2.419	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc([S@@](C)=O)cc3)C2)cc1	855229832	RLQKMFGCNACYHC-SGANQWHYSA-N	358.463	2.441	10	10	FECE	
C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@](C)(C(F)F)O1	853999010	GIPCCUFZOIYTJQ-GLEZIHRCSA-N	357.313	2.175	10	10	FECE	
CN1CCN(c2ccc(CNCC(C)(C)C(=O)N3CCCC3)cc2)CC1	858293293	SZJOSKUSNFSZLM-UHFFFAOYSA-N	358.530	2.177	10	10	FECE	
CN1CCN(Cc2ccccc2)[C@H](CNC(=O)NCc2ccccc2O)C1	852697224	YNMILHLTFBXFOJ-LJQANCHMSA-N	368.481	2.008	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Cc3ccc(O)c(OC)c3)C2)cc1	855223481	APWUMARMGZVYPR-HNNXBMFYSA-N	356.422	2.347	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H]4OCCC[C@@H]4C3)C2)cc1	1118564218	RWAAAVVYEVSJCZ-GJYPPUQNSA-N	359.470	2.484	10	10	FECE	
CCN(CC)c1ccc(CNC[C@@H](O)CC2(O)CCOCC2)cc1F	872200413	IARQSSRZQCSNHJ-INIZCTEOSA-N	354.466	2.054	10	10	FECE	
CN(C)Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cn1	774380175	NZNDFANSRTVDJF-UHFFFAOYSA-N	372.444	2.049	10	10	FECE	
COc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)nn1C	784057774	FVGFSMXOMOUIIQ-UHFFFAOYSA-N	371.441	2.315	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)cc1	1137520358	DCJPHMVZJOQSNA-DLBZAZTESA-N	373.457	2.347	10	10	FECE	
COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)c1cc2cc(O)c(O)cc2s1	898807564	BIKWTTOTSZUEOQ-QWRGUYRKSA-N	365.407	2.105	10	10	FECE	
COc1ccc(CNC(=O)c2ccnc(O)c2Br)c(O)c1	794389571	ADYSAKKAUOVWRF-UHFFFAOYSA-N	353.172	2.194	10	10	FECE	
CCN1CCN(c2ccc(C(=O)NCc3ccc(OC)cc3O)cc2)CC1	794381242	NLHAUWNWKPFNNZ-UHFFFAOYSA-N	369.465	2.473	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1cccc(CNc2ccncn2)c1	1156885314	DEGZOMSUDQGQOF-UHFFFAOYSA-N	350.378	2.430	10	10	FECE	
O=C1/C(=C\N2CCOCC2)SC(=S)N1c1cccc([N+](=O)[O-])c1	1084066966	ICTFKOPBRQCUJA-FMIVXFBMSA-N	351.409	2.133	10	10	FECE	
C[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO)c1c(O)cccc1O	2116264421	FEYMWKAHHKXBPN-MJBXVCDLSA-N	366.458	2.366	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CN(CCC(=O)Nc1ccc(N)cc1)C2	2117050712	DDWQPCFCNQGDKG-HOTGVXAUSA-N	360.458	2.291	10	10	FECE	
CC(C)(C)OC(=O)N1[C@@H](C(=O)NCc2ccccc2O)COCC1(C)C	2124148442	GZYYKWLUORWCQT-CQSZACIVSA-N	364.442	2.423	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@](C)(NC(=O)OC(C)(C)C)C(C)(C)O	2124389262	UOWGHYMJVKAWCB-IBGZPJMESA-N	366.458	2.405	10	10	FECE	
Cn1nc(CNC(=O)OC(C)(C)C)cc1C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2124504624	AXKULTYKYJIBKW-NSHDSACASA-N	363.422	2.360	10	10	FECE	
C[C@@H](C(=O)N1CCC[C@@H](N=[N+]=[N-])C1)N1CCN(C(=O)OC(C)(C)C)CC1	2124510827	BEHOLEKATHNMJH-UONOGXRCSA-N	366.466	2.229	10	10	FECE	
CN(C(=O)OC(C)(C)C)C1CC(C(=O)NCc2cccc(O)c2O)C1	1352673119	ZXCSKQDWVCRDJI-UHFFFAOYSA-N	350.415	2.360	10	10	FECE	
CN(C)c1ccc([C@@](C)(O)[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1	1917208890	JXUGSYSOCAMGNI-FXAWDEMLSA-N	372.421	2.340	10	10	FECE	
CCCN[C@H](c1ccccc1O)[C@](O)(CNC(=O)OC(C)(C)C)COC	1921014201	UXAUVTKWUWZZEF-APWZRJJASA-N	368.474	2.335	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@@H]1CCc2nnc(-c3ccccc3)n2C1	1471661929	HKVGPCHEMCGPPO-CQSZACIVSA-N	364.405	2.235	10	10	FECE	
CN(C)c1ccc([C@@H](CNc2c3c(nc4ncnn24)CCC3)N(C)C)cc1	1472897488	UNQFJBYPOIJYPS-GOSISDBHSA-N	365.485	2.394	10	10	FECE	
CCc1nnc(N(C)CCn2cccn2)n1Cc1ccc(N(C)C)c(F)c1	1613931441	QUBKSJZFSQKLSI-UHFFFAOYSA-N	371.464	2.427	10	10	FECE	
COc1ccc(C(=O)NCc2ccc(O)cc2O)nc1Br	1626837631	BBRRNBAZSHSLCV-UHFFFAOYSA-N	353.172	2.194	10	10	FECE	
Cc1ccc(CN=c2nc(CCN(C)C(=O)OC(C)(C)C)[nH][nH]2)c(O)c1	2139771674	DAEVXKFPZWRFKB-UHFFFAOYSA-N	361.446	2.262	10	10	FECE	
Cc1ccc2c(c1)/C(=C1\SC(=S)N(CCCC(=O)O)C1=O)C(=O)N2	206851598	RVTJIQHVSHJNBG-OUKQBFOZSA-N	362.432	2.383	10	10	FECE	
CCS(=O)(=O)C[C@@H](C)NCc1c(Br)ccc(OC)c1O	1964571816	DTKILAQGAPPHGX-SECBINFHSA-N	366.277	2.076	10	10	FECE	
COc1ccc(CN[C@H]2COC[C@@H]2CNC(=O)OC(C)(C)C)c(O)c1	2036598858	JMWYUJWNDWIKIZ-ZFWWWQNUSA-N	352.431	2.030	10	10	FECE	
C[C@@H](O)c1ccc(N(C)[C@H](C)CS(C)(=O)=O)c(Br)c1	688602714	SHAXFQZLVIVNTM-NXEZZACHSA-N	350.278	2.372	10	10	FECE	
Nc1ccc(CC(=O)NC[C@@]23CN(Cc4ccccc4)C[C@H]2CCO3)cc1	2175196722	DLYSBECFHBCAQR-DENIHFKCSA-N	365.477	2.219	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C[C@@H]2CCC[C@H]21	2049783156	RTIPRQBTWOGJAB-LXFSFDBISA-N	350.459	2.430	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNCc2c(O)cccc2F)C[C@@H]1O	2052663843	QWRJYTCEAKHQDL-PEYYIBSZSA-N	354.422	2.285	10	10	FECE	
Cc1cccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2CO)c1O	2052718885	ZYDBMAYCPBTHNZ-JKSUJKDBSA-N	350.459	2.408	10	10	FECE	
C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1ccc(O)c(O)c1	2054414212	NXXTUYPQXQKBDT-WCQYABFASA-N	350.415	2.473	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2060633332	MNDHZQGGFFCQIN-CHWSQXEVSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)NCCCC1CN(C(=O)c2ccc(O)c(O)c2)C1	2078786755	XJPUDOKLNMJFMC-UHFFFAOYSA-N	350.415	2.475	10	10	FECE	
CN1CCc2cc([C@H](O)[C@H]3[C@H]4[C@@H]3OCCN4C(=O)OC(C)(C)C)ccc21	2106789301	XMPSVVJWRUXQET-VSZNYVQBSA-N	360.454	2.347	10	10	FECE	
CN1CCCc2cc([C@@H](N)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)ccc21	2106948402	PXJJFXJJFNXPSA-YLJYHZDGSA-N	361.486	2.441	10	10	FECE	
CN1CCc2cc(CN[C@H]3COC[C@@H]3CNC(=O)OC(C)(C)C)ccc21	2097858599	QQQOMPTXKZPWFV-IRXDYDNUSA-N	361.486	2.308	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)C1CCN(CCNC(=O)OC(C)(C)C)CC1	2337778408	WFOQWHIYJYMNAF-UHFFFAOYSA-N	368.482	2.382	10	10	FECE	
O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\NCc1cccs1	104794807	IUHNTOVQQVNMOG-LUAWRHEFSA-N	361.423	2.309	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC[C@@H]2c2nncn2C)c([N+](=O)[O-])c1	301970176	RDSOVUTZHNOIDY-IZPAUZPXSA-N	357.370	2.251	10	10	FECE	
Cc1cc(C(=O)N2CCN(c3cccnn3)CC2)c(C)n1-c1ccccn1	170631854	HQCSNCZVOSFILI-UHFFFAOYSA-N	362.437	2.242	10	10	FECE	
COc1ccc(C(=O)N2CCN(c3ccc4c(c3)CC(=O)N4)CC2)cc1	62093566	PNVZTGPDHZZPBT-UHFFFAOYSA-N	351.406	2.152	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cccc(-n4ccnc4)n3)CC2)cc1	180774064	SYFJOQOLMFDIMJ-UHFFFAOYSA-N	363.421	2.238	10	10	FECE	
C[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@H]1n1ccnc1	131489158	RZAZCWRSZXXSHG-NHYWBVRUSA-N	357.370	2.210	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N2C[C@@H](C)C(=O)Nc3ccccc32)c1	255588914	ICDBXLDHZHCSCS-MEJMFZKBSA-N	364.405	2.076	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CC[C@@H](CC(F)(F)F)C3)nc12	278723511	KUQRLHIFYPSKHZ-JTQLQIEISA-N	372.347	2.386	10	10	FECE	
Cc1cc(=O)n(C)cc1NC(=O)NCc1cc(Br)ccc1O	806333062	DRCKNODBRKPONQ-UHFFFAOYSA-N	366.215	2.484	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H](OC)c1ccc(O)cc1	819697003	LDYNEVLGHPBCPQ-LJQANCHMSA-N	373.405	2.377	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccnc1N1CCOCC1	819755064	DBRYPSJYPCAKDL-UHFFFAOYSA-N	362.426	2.040	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc2cncn2c1	817848918	HHNFCEHMNOVGEU-UHFFFAOYSA-N	366.421	2.095	10	10	FECE	
CN(C)c1ccc2c(c1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2	575541619	RFNSRIKLVAJPHU-IBGZPJMESA-N	354.406	2.314	10	10	FECE	
O=S(=O)(CC1Cc2ccccc2C1)NNc1nc2ccncc2s1	901692561	NBOXGMREFCJZFC-UHFFFAOYSA-N	360.464	2.353	10	10	FECE	
Cc1cc(C(=O)N2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)c(C)o1	588406257	ZZWRMDXZGVDFEC-XQRVVYSFSA-N	370.405	2.305	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3CC[C@H]4C[C@@H]4C3)CC2)cc1	834699172	XMSILTXNKJFVGC-ZMSDIMECSA-N	371.481	2.085	10	10	FECE	
C[C@@H]1C[C@@H](NC/C=C/c2ccc(N(C)C)cc2)C(=O)N1c1cnn(C)c1	835041711	DHJCBFAAWIWCJF-XWMIQMMGSA-N	353.470	2.283	10	10	FECE	
CO[C@@](C)(CCNC(=O)OC(C)(C)C)[C@H](N)Cc1ccc(O)c(O)c1	1952846648	FMIJFACHVWKZNB-QAPCUYQASA-N	354.447	2.288	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2nc(=O)c3ccccc3[nH]2)cc1	844777977	KUBPLAOOCZZEPK-UHFFFAOYSA-N	366.421	2.140	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)[C@H]2Cc3ccccc3CN2)cc1	846696248	DAQKRLWRRFVLGT-HXUWFJFHSA-N	353.466	2.304	10	10	FECE	
Cc1cc(O)c(CN2CCN(c3ncccc3C(N)=O)CC2)c(Cl)c1	840909416	AZTWWMSTVMOZQY-UHFFFAOYSA-N	360.845	2.170	10	10	FECE	
CNC(=O)C1(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CCOCC1	925225976	KQHKLGFABWPOHO-UHFFFAOYSA-N	369.465	2.428	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3c[nH]nc3-c3ccccn3)C2)cc1	855227741	YPDBRURNWVCVFK-CQSZACIVSA-N	363.421	2.489	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)c3cccc(F)c3)C2)cc1	852456688	ZYSKBCQELCWVHZ-LPHOPBHVSA-N	373.428	2.446	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H](Cn2ccnn2)C1	853412112	TUVBKBQVMSZSSW-QGZVFWFLSA-N	354.458	2.110	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](Cn3ccnn3)C2)cc1	853457900	ZAKWONHOVGVLGX-QGZVFWFLSA-N	356.474	2.356	10	10	FECE	
Cc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1cc(F)cc(F)c1O	753016638	IWMXDCWVMDWKCO-UHFFFAOYSA-N	370.377	2.481	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CNC(=O)c1ccc(F)cc1	935946451	HUDYLONYYTZQMT-UHFFFAOYSA-N	351.374	2.063	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cncc4ncn(C)c34)CC2)cc1F	866460471	WWBROXQUWINHGO-UHFFFAOYSA-N	369.400	2.078	10	10	FECE	
COc1ccc(C(=O)CCC(=O)NCCc2ccc(O)c(O)c2)cc1OC	762264262	QMNNBTZIQBKXRD-UHFFFAOYSA-N	373.405	2.437	10	10	FECE	
CCn1nc(C)cc1C(=O)N1CCN(c2ccc(OC)cc2OC)CC1	870163640	BTLOAIITENORHA-UHFFFAOYSA-N	358.442	2.191	10	10	FECE	
COC(=O)c1c(CNCC(C)(C)S(C)(=O)=O)c2cc(F)ccc2n1C	894317883	WUXGEKNBPUMZBH-UHFFFAOYSA-N	370.446	2.017	10	10	FECE	
CC(C)(C)OC(=O)NC1CC(CC(=O)NCc2ccc(O)c(O)c2)C1	1137443519	SOVFUHSVKWMQBB-UHFFFAOYSA-N	350.415	2.407	10	10	FECE	
COc1cc(NS(=O)(=O)c2cc(C(=O)O)cc(F)c2C)ccc1O	797819357	HBOYABWLTITGRL-UHFFFAOYSA-N	355.343	2.347	10	10	FECE	
COc1cccc(CNS(=O)(=O)c2ccccc2Cn2ccnc2)c1O	799773983	IFVCJGCIIWZDFZ-UHFFFAOYSA-N	373.434	2.124	10	10	FECE	
COCC[C@@H](CNCc1cccc(OC)c1O)NC(=O)OC(C)(C)C	1664595420	PTWFUKKZYINFSK-AWEZNQCLSA-N	354.447	2.420	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@]12CCOC[C@@H]1CN(C(=O)OC(C)(C)C)C2	2124518562	ZLUAVCKAEBEWCX-SUMWQHHRSA-N	367.450	2.419	10	10	FECE	
Cc1ccc(NC(=O)CSCC(=O)NCc2cc(O)ccc2O)cc1	1176748645	YKLDEEYNAIRDIU-UHFFFAOYSA-N	360.435	2.394	10	10	FECE	
CNC(=O)c1ccc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cn1	1356267149	MULSSPYQYQUPDV-UHFFFAOYSA-N	352.438	2.314	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)cc1	1292152172	BTZHLRJXFATMIM-MRXNPFEDSA-N	359.430	2.176	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CN(C(=O)c1cccc(O)c1O)C2	2136557196	YWGUNPRRMJIOML-BLVKFPJESA-N	362.426	2.475	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)[C@@H]3CCc4ccccc4O3)cc2)CC1	1536934481	VLLQKNNKLZUUTH-NRFANRHFSA-N	365.477	2.448	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)c3n[nH]cc3F)cc2F)C[C@@H](C)O1	1544676056	GGUVHRGCIDUCLI-GHMZBOCLSA-N	350.369	2.232	10	10	FECE	
COc1cccc(CNC(=O)[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c1O	1630365618	APLQUZUCLWJIGQ-ORAYPTAESA-N	362.426	2.274	10	10	FECE	
COc1ccc(N(CCCS(N)(=O)=O)Cc2ccccc2)cc1OC	1655928821	CAQSCRGNPLPTPG-UHFFFAOYSA-N	364.467	2.389	10	10	FECE	
O=C(NCc1cccc(O)c1O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1	1651172850	IRQKZCJLUGUOFK-UHFFFAOYSA-N	354.322	2.122	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCc1cnc2n1CCOC2	1685617060	ZTMPUWZDIANGGM-UHFFFAOYSA-N	369.469	2.355	10	10	FECE	
COc1cc(O)c(CN2CCN(C[C@H](O)c3ccccc3)CC2)cc1OC	160256664	GCQPVCJPRNEPOW-IBGZPJMESA-N	372.465	2.261	10	10	FECE	
C[C@@H](O)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2Cl)SC1=S	1858591903	CRTAVEAAMOKAPT-QEXLZLQKSA-N	357.840	2.375	10	10	FECE	
CCS(=O)(=O)NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	1858613382	YZOOOSQXXMLGJS-UHFFFAOYSA-N	374.443	2.098	10	10	FECE	
CSc1ncc(CNC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)s1	1903572595	KKWIGSMQIVNUHU-UHFFFAOYSA-N	359.473	2.029	10	10	FECE	
COCC1(CNCc2cc(OC)ccc2O)CN(C(=O)OC(C)(C)C)C1	1972803727	MHOCMVXJRISUIO-UHFFFAOYSA-N	366.458	2.374	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NCc2cc(N)ccc2O)C1	1999477010	FQNHLJIVRAJBTR-RZFZLAGVSA-N	355.460	2.239	10	10	FECE	
CNCc1ccc(N(C)C2CCS(=O)(=O)CC2)c(Br)c1	694193738	XRMLZBNROHFJFL-UHFFFAOYSA-N	361.305	2.182	10	10	FECE	
Cc1cc(NS(=O)(=O)c2nn(C)cc2Br)c(C)cc1O	2178413299	ZTMLFNZCDGUIJU-UHFFFAOYSA-N	360.233	2.306	10	10	FECE	
Cc1cccc(O)c1CN[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO	2052724066	YODXCOUMOVEWAZ-HOCLYGCPSA-N	350.459	2.408	10	10	FECE	
C[C@@H](CC(=O)NCCc1ccc(O)c(O)c1)N(C)C(=O)OC(C)(C)C	2060295685	BZHKAICXLFFGIL-LBPRGKRZSA-N	352.431	2.402	10	10	FECE	
COC[C@@]1(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)CCN(C(=O)OC(C)(C)C)C1	2060609880	ARJKQCSNTLJMGH-MLGOLLRUSA-N	353.423	2.171	10	10	FECE	
COCC[C@@]1(C(=O)N2CC(N=[N+]=[N-])C2)CCN(C(=O)OC(C)(C)C)C1	2082285602	PJXFDENFZQFUQU-INIZCTEOSA-N	353.423	2.171	10	10	FECE	
C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1c1cc2c(cc1N)OCCO2	2106712504	PKYOPUOMRCWBET-VHSXEESVSA-N	359.348	2.076	10	10	FECE	
Nc1ccc(O)c(CN2CCC[C@H]3CC[C@]32CNC(=O)C(F)(F)F)c1	2106740693	WODREYJMBOCXDZ-LRDDRELGSA-N	357.376	2.398	10	10	FECE	
CN[C@H](c1ccc(N(C)C)cc1)c1cnn(C)c1I	2106805548	OVYKVJHIDYBADG-CYBMUJFWSA-N	370.238	2.400	10	10	FECE	
CN1CCc2cc(CNCCC3(O)CN(C(=O)OC(C)(C)C)C3)ccc21	2087531029	SAKQSUJUWLJCIC-UHFFFAOYSA-N	361.486	2.140	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(C)OC[C@@H]1CC(=O)N1CC(N=[N+]=[N-])C1	2217942389	KSXXSIZNGIZXKZ-LBPRGKRZSA-N	353.423	2.312	10	10	FECE	
CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@@H]1COc1ccc(N)cc1	2218296262	SICHWWVSEIQIRY-OAGGEKHMSA-N	352.431	2.297	10	10	FECE	
COC(=O)CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S	2296753656	XIFCQCVLPAEKCI-UHFFFAOYSA-N	351.405	2.180	10	10	FECE	
C[C@H]1N(C(=O)OC(C)(C)C)C[C@@]1(C(=O)O)N(C)Cc1ccccc1O	2323714747	MTBHCBUSJJLRIU-KZULUSFZSA-N	350.415	2.287	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1[C@H](C)C(=O)Nc1ccc(N)cc1	2354605705	GTNTVXGWILXDON-WDMOLILDSA-N	372.391	2.127	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(C)c(F)c3)CC2)cc1	9858572	HXYMJIJPFRGVAZ-UHFFFAOYSA-N	371.412	2.430	10	10	FECE	
C[C@@H](NC(=O)CNC(=O)C1CCCC1)c1ccc(N2CCOCC2)cc1	109189949	WNBOFBQKVZVGRB-OAHLLOKOSA-N	359.470	2.007	10	10	FECE	
Cc1ccc(/C=C2/C(=O)NN=C2c2c(O)c3ccccc3n(C)c2=O)cc1	100260952	OAUGMSWUUIPXEV-RVDMUPIBSA-N	359.385	2.470	10	10	FECE	
CCCOc1ccc(/C=C/C(=O)NCCN2C(=O)CSC2=S)cc1	71500726	VYSIWPNCERRRBL-VMPITWQZSA-N	364.492	2.465	10	10	FECE	
COc1ccc(Br)c(CN2CC(SC)(C(=O)O)C2)c1O	2362138426	HEEWAZYHKQAMHX-UHFFFAOYSA-N	362.245	2.165	10	10	FECE	
CN(Cc1ccccc1O)C(=O)NCc1cccc(CS(C)(=O)=O)c1	194868090	GMXRELMTDHWDHE-UHFFFAOYSA-N	362.451	2.278	10	10	FECE	
COC(=O)[C@@H](O)C1CCN(C(=O)c2cc(C)n(-c3ccccc3)c2C)CC1	133824091	XHQJHGASVITCNW-IBGZPJMESA-N	370.449	2.480	10	10	FECE	
O[C@H](C[C@H]1COCCN1Cc1ccc(N2CCOCC2)cc1)c1ccco1	92040286	XNGGHZGQDFOZIU-VQTJNVASSA-N	372.465	2.441	10	10	FECE	
COC(=O)c1ccc(C(=O)OC)c(NC(=S)NCc2ncccc2C)c1	242496822	BSPPRPXHVCGUNM-UHFFFAOYSA-N	373.434	2.450	10	10	FECE	
O=C1CC[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C2(CCC2)N1	282631437	GHSLFSLJCQPDHI-KRWDZBQOSA-N	356.470	2.287	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)N[C@@H]3CC[C@H]3C)CC2)cc1	805864431	KFFZEVVWEXMOLF-VQIMIIECSA-N	360.502	2.305	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cc(F)cc(F)c1F	815612483	OBWDFKUZKABIFJ-MRVPVSSYSA-N	368.311	2.201	10	10	FECE	
CCc1cnc(N2CCN(C(=O)NCCc3ccc(N)cc3)CC2)s1	841954168	JGDBOLHTZLUPOG-UHFFFAOYSA-N	359.499	2.362	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCOC[C@@H]2c2ccnn2C)c([N+](=O)[O-])c1	845755213	AIMXWQMMGXTZLE-XQDHMALISA-N	372.381	2.092	10	10	FECE	
COCc1cc(O)ccc1NS(=O)(=O)c1cc(OC)ccc1OC	840915107	KDKRHINCFJKCGV-UHFFFAOYSA-N	353.396	2.357	10	10	FECE	
CSC1CCC(CNC(=O)C(=O)NCc2ccc(N(C)C)cc2)CC1	929236986	OTEKLVCSLBBOGN-UHFFFAOYSA-N	363.527	2.407	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)C2)cc1	855227854	QJDOYFJUMYOISC-LBPRGKRZSA-N	357.366	2.318	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC)c(O)c3)C2)cc1	852455756	VRCCEQFKQHOKNW-HNNXBMFYSA-N	371.437	2.488	10	10	FECE	
CNC(=O)c1cccc(OCC(=O)NCc2c(O)ccc3c2CCCC3)c1	759618256	MUKMQVZSTPHADG-UHFFFAOYSA-N	368.433	2.326	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N[C@H](C)c2cc(OC)ccc2O)c1	761983477	RXWLGFKTWWUGNP-RPTYSRGTSA-N	355.394	2.046	10	10	FECE	
Cc1cc(CCN2C(=O)[C@@H]3[C@H](O)CCCN3C2=O)c(C)n1-c1ccccc1	760969384	JEUYKAOXBVOUPQ-MOPGFXCFSA-N	367.449	2.424	10	10	FECE	
O=C1C[C@H](c2cccc(NC(=O)NCCc3ccc(O)c(O)c3)c2)CN1	772469213	GHLNYROQQOWCIL-AWEZNQCLSA-N	355.394	2.066	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)c1nn(-c2ccc(F)cc2F)cc1O	1150378679	UFVUURBZQGDVNN-UHFFFAOYSA-N	361.304	2.197	10	10	FECE	
CC1(C)[C@@H](CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1(F)F	1328016163	OHZHKBTVIIWHEL-OAHLLOKOSA-N	363.408	2.087	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)OCC12CC2	2127546099	WWHISYQNIUJRNH-OLZOCXBDSA-N	365.434	2.456	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)N2CCC(CN=[N+]=[N-])CC2)C1	2124510229	TVGANGRIDQYONS-AWEZNQCLSA-N	366.466	2.134	10	10	FECE	
C[C@H](NC(=O)C(=O)NC[C@H]1C(C)(C)C1(F)F)c1ccc(N(C)C)cc1	1328980025	IASBKDKJCLFJQS-FZMZJTMJSA-N	353.413	2.337	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)c2cc(O)c(O)c(O)c2)C1	2132409814	IBKIOGFIZVGEPQ-NSHDSACASA-N	366.414	2.180	10	10	FECE	
C[C@H](Cc1ccco1)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	1353733111	HUMXDPLBBDFIDW-OAHLLOKOSA-N	369.465	2.476	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CN(C(=O)c1cccc(O)c1O)C2	2136557203	YWGUNPRRMJIOML-HXPMCKFVSA-N	362.426	2.475	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@@H]1CCCC[C@H]1O	1546152211	XHJBSCZTEZRWCG-SWLSCSKDSA-N	369.845	2.488	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F	1558112896	FLWKTMFWLSTQOM-SUMWQHHRSA-N	369.339	2.291	10	10	FECE	
COCCCN(CCO)C(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2	1634296072	BCOHWPGELJLSMJ-UHFFFAOYSA-N	374.481	2.386	10	10	FECE	
CO[C@@H]1CCCN(c2nnc(C)n2Cc2ccc(N3CCOCC3)cc2)C1	1769051842	WBVUWJRHRZXVDF-LJQANCHMSA-N	371.485	2.087	10	10	FECE	
COc1ccc(N2CCN(C(=O)NC[C@@H]3CC(C)(C)CO3)CC2)cc1F	1687506130	GCIGMSUCVUSVKU-HNNXBMFYSA-N	365.449	2.481	10	10	FECE	
CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1	2034682952	RNKALAFZZCGMGE-IBGZPJMESA-N	359.495	2.305	10	10	FECE	
CCOC(=O)[C@H](NCCN=[N+]=[N-])c1snc(OC)c1Br	702098624	KMXIVDIEHILIBD-SSDOTTSWSA-N	364.225	2.418	10	10	FECE	
CN1C(=O)[C@H](N)c2ccc(N3C[C@@H]4[C@H](CCN4Cc4ccccc4)C3)cc21	2188884356	JOOKTGXHWKPLPH-MAODMQOUSA-N	362.477	2.374	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2ON=C(CNCc3ccc4c(c3)CCO4)[C@@H]2C1	2183633057	PGVFLARVIDZTLD-MAUKXSAKSA-N	373.453	2.333	10	10	FECE	
Nc1ccc(OCCC(=O)NC[C@@H]2COCCN2Cc2ccccc2)cc1	2194653406	JHQDKQRMKMEOLN-LJQANCHMSA-N	369.465	2.055	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@H]1C[C@H]2OCC[C@@H]2N1C(=O)OC(C)(C)C	2060611237	QWKOPJYJCADKCZ-RWMBFGLXSA-N	353.423	2.312	10	10	FECE	
C[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)c1c(O)cccc1O	2063347563	BEMYQBGMKQLZBS-RWMBFGLXSA-N	352.431	2.119	10	10	FECE	
CN(C(=O)[C@@H]1CC[C@H](C(=O)O)N1Cc1ccccc1)c1ccc(N)cc1	2106307025	HNONAORIIGTUIL-ZWKOTPCHSA-N	353.422	2.349	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-])C1(O)CCC1	2218736538	ZUNWPCAHFBASBV-IJLUTSLNSA-N	353.423	2.142	10	10	FECE	
Cc1ccc(CNC[C@H]2C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1	2311958682	FSCDCPBJEAICFB-FRFSOERESA-N	350.459	2.454	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCCN(CC(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2333612874	CZKPTMGLQDGBLT-MJBXVCDLSA-N	366.466	2.323	10	10	FECE	
Cn1nc(I)cc1CNCc1ccc2c(c1)CCO2	2335789573	RCAURJIHRKEZSS-UHFFFAOYSA-N	369.206	2.249	10	10	FECE	
COC[C@]1(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C=CCN1C(=O)OC(C)(C)C	2336345698	QYHANSQEWRVKPX-DYVFJYSZSA-N	365.434	2.480	10	10	FECE	
CCOC(=O)c1ccc(N2NC(=O)/C(=C/C=C\c3ccco3)C2=O)cc1	8656199	BIBATJXGPBHLPB-YLTANLAUSA-N	352.346	2.474	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CCCC[C@H]3c3cn[nH]c3)nc12	114202699	OHODHBFGSHOENI-HNNXBMFYSA-N	370.413	2.062	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@]1(C)COC(=O)N1	1951832722	IDKQDEVLTPBBAA-GUYCJALGSA-N	352.387	2.032	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N2CCCc3cccc(OC)c32)c1	255915018	VSOBERACESYELW-HJWRWDBZSA-N	351.406	2.442	10	10	FECE	
CC(C)OC(=O)[C@@H](C)N(C)C(=O)/C=C\c1ccc(N2CCOCC2)cc1	255391182	AIUSBJLMBWPOOC-BSDKJSHOSA-N	360.454	2.335	10	10	FECE	
CCN1CCC[C@@H]1CN(C)C(=O)/C=C\c1ccc(N2CCOCC2)cc1	255593129	YENAVZUGRYUNME-NHHWLVAYSA-N	357.498	2.479	10	10	FECE	
CC[C@H]1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1	366496030	UVUFXLMKHSISHV-SJCJKPOMSA-N	352.387	2.386	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCCc1c(C)noc1C	806479328	LKCZTDYEMDXMCH-UHFFFAOYSA-N	372.469	2.031	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)c1cnn2c1OCCC2	816653616	AXRIJLPJZPGYMN-UHFFFAOYSA-N	352.188	2.064	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@@H](O)CC(C)(C)C	819698275	JYPGYTUHQSOHNI-OAHLLOKOSA-N	351.443	2.471	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(CN3CCOCC3)cn2)c1	810347457	DOWMYQQJROUZKH-AWEZNQCLSA-N	371.437	2.119	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)C2	819398027	HPAVQUISOBHKBR-KOZAUXTDSA-N	362.426	2.445	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)C2	822539462	JJDFSVNPUGGAOJ-UHTWSYAYSA-N	365.386	2.018	10	10	FECE	
O=C1CC[C@H](N2CCN(Cc3cc(Cl)cc(Cl)c3O)CC2)CCN1	825147619	IWFCGJJBSKBBKI-AWEZNQCLSA-N	372.296	2.485	10	10	FECE	
CC(C)c1nnc(CNC(=O)/C=C\c2ccc(N3CCOCC3)cc2)n1C	588405304	RYCFTMCCWZKTJO-TWGQIWQCSA-N	369.469	2.105	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)c1	735858033	GVMLNGRSUBARQD-JOKNJTHLSA-N	369.421	2.193	10	10	FECE	
Cc1cc(C(=O)CN2CCC[C@@](O)(CO)C2)c(C)n1-c1ccc(F)cc1	839149794	WEGGZZUFQKMYAA-FQEVSTJZSA-N	360.429	2.235	10	10	FECE	
CNCc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	841092339	CQJUHYXEIOWAIM-CQSZACIVSA-N	354.454	2.288	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@@]2(C1)CC2(F)F	844912523	IQNWQXYBWOLSAO-KRWDZBQOSA-N	351.397	2.464	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C3(NC(C)=O)CCCCC3)C2)cc1	855233046	WACRSGLKAALETL-MRXNPFEDSA-N	359.470	2.229	10	10	FECE	
COC(=O)C1=CC[C@H](NC(=O)NCc2cccc(Br)c2O)C1	858732944	GDHNNDPJAVFFPB-NSHDSACASA-N	369.215	2.216	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](Cn3ccnn3)C2)cc1F	853706763	PXMHANLAZQNFRD-MRXNPFEDSA-N	374.464	2.495	10	10	FECE	
CS(=O)(=O)c1ccccc1C(=O)N1CCS[C@@H](C(F)(F)F)C1	928143326	YDWLRABIEDYVRZ-LLVKDONJSA-N	353.387	2.210	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)Oc3cccc(CO)c3)C2)cc1	855233648	JZOHVGNGTGMKQE-DOTOQJQBSA-N	370.449	2.350	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3C[C@H]4CC[C@H]3[C@H](CO)C4)C2)cc1	852387671	TZCISYNSQOZPSZ-BOSXTWCSSA-N	373.497	2.324	10	10	FECE	
Cc1c(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)nnn1C(C)C	856214896	GATAAHQSMHBWQP-UHFFFAOYSA-N	357.458	2.059	10	10	FECE	
CNS(=O)(=O)C[C@@H]1CCCN(C/C=C/c2ccc(N(C)C)cc2)C1	862552308	VVBALRLWGUWDRP-UKINESCASA-N	351.516	2.027	10	10	FECE	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	861729551	ZFYZKHIQXVLPFG-LSSIXWDNSA-N	372.204	2.036	10	10	FECE	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)CN2CCOCC2)cc1	1136184327	NNLDOASTQFGHMB-UHFFFAOYSA-N	357.454	2.207	10	10	FECE	
COC(=O)c1c(CNC2CCN(C(C)=O)CC2)c2cc(F)ccc2n1C	894151916	FRGBNVVGIXKABV-UHFFFAOYSA-N	361.417	2.205	10	10	FECE	
Oc1cc2c(cc1CN1CCO[C@H](COc3ccccc3)C1)[C@H](O)CO2	790467610	QGDDVAYRPJINFW-QFBILLFUSA-N	357.406	2.098	10	10	FECE	
COc1ccc(N2CCCN(CN3C[C@H](C(F)F)CC3=O)CC2)cc1	795410815	JVHSABLZQDQNER-CQSZACIVSA-N	353.413	2.278	10	10	FECE	
COCCN(CCOC)C1CCN(Cc2cc(C)cc(OC)c2O)CC1	795713524	IIOUMMPNZZHRET-UHFFFAOYSA-N	366.502	2.268	10	10	FECE	
C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO)c1c(O)cccc1O	2116272781	FNBBJUKFELAHLW-MELADBBJSA-N	366.458	2.366	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NCc3ccc(F)c(F)c3O)CO[C@H]2C1	2121658733	WPBRLRAZPOOFEE-UBHSHLNASA-N	370.396	2.394	10	10	FECE	
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1	2132349947	IUXPQNAOPGICPR-CJNGLKHVSA-N	356.422	2.444	10	10	FECE	
O=C(O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1c1cc(O)c(O)c(O)c1	1906074353	PVYGTFNEEJNWRL-ZIAGYGMSSA-N	373.361	2.240	10	10	FECE	
CC(=O)Nc1cccnc1C(=O)NCc1cccc(Br)c1O	1467764624	SDQJYMAKBRPTMA-UHFFFAOYSA-N	364.199	2.438	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCOC[C@H]3CC3CC3)C2)cc1	1478957844	SSWYOHGSRYNBJK-SJLPKXTDSA-N	359.470	2.484	10	10	FECE	
CC(C)c1nocc1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	1471912799	YYPDQVJCZGILBT-UHFFFAOYSA-N	370.453	2.430	10	10	FECE	
Cc1ccc(C(=O)Nc2ccc(C3CC(=O)NC(=O)C3)cc2)c(O)c1O	1636772215	ABVQJBUQWBJDJK-UHFFFAOYSA-N	354.362	2.179	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CC(=O)NCc1c(O)cccc1O)C(F)F	1645366608	VQJDFOALFLXTIJ-JTQLQIEISA-N	360.357	2.263	10	10	FECE	
Cn1cnnc1CC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1	1660242059	RPTNBMFCCMUWIG-UHFFFAOYSA-N	355.486	2.106	10	10	FECE	
CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(N(C)C)cc1	5943877	RWWZIAFZRLKSOB-IBGZPJMESA-N	373.478	2.304	10	10	FECE	
CCOC(=O)c1ccc(NC(=O)CN2C(=O)[C@H](C)SC2=S)cc1	11635425	NYJMZUVDQONACB-VIFPVBQESA-N	352.437	2.051	10	10	FECE	
Cc1sc(NC(=O)CNCc2ccc(N(C)C)cc2)c(C(N)=O)c1C	1857875526	GMDPFMKAZOZQDK-UHFFFAOYSA-N	360.483	2.258	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1cncs1)C(=O)NCCCN=[N+]=[N-]	2010389736	UGQDFQSACNXWAC-LLVKDONJSA-N	354.436	2.396	10	10	FECE	
COc1ccc(O)c(CN[C@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)c1	2031531970	GRQLKHQCNFPUAZ-GJZGRUSLSA-N	352.431	2.173	10	10	FECE	
C[C@H](NC[C@@]1(NC(=O)OC(C)(C)C)CCOC1)c1c(O)cccc1O	688536398	LTUAYIIMFNWWTM-SGTLLEGYSA-N	352.431	2.432	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)C1C[C@@H]2C[C@H]2C1	2052124234	HBQLLVWKBFWCQS-HNRKBYSSSA-N	350.459	2.191	10	10	FECE	
CC1(C)[C@@H](O)C[C@]1(CO)NCc1cc(Cl)cc(Br)c1O	2193970845	PSBUGVWJOLDZCE-SMDDNHRTSA-N	364.667	2.420	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2060637459	LGQIMYVYPCKFAB-CHWSQXEVSA-N	353.423	2.048	10	10	FECE	
C[C@H]1CN(C(=O)CCOc2ccc(N)cc2)C[C@@H]1NC(=O)OC(C)(C)C	2106772677	HMRDHLXLIBHUQJ-BBRMVZONSA-N	363.458	2.409	10	10	FECE	
COc1ccc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)c(CN)c1	2227680677	ADKIZHJJSPUGBP-SFTDATJTSA-N	353.466	2.244	10	10	FECE	
O=C1NC(=S)N(CCC2=CCCCC2)C(=O)C1=CNCc1ccco1	2296934989	WPYGGDHPBHSOCY-UHFFFAOYSA-N	359.451	2.387	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)NCCCOC[C@H]1CCCO1	2297554271	NZXSQSBOXMLJDP-HXUWFJFHSA-N	374.481	2.238	10	10	FECE	
CCCOc1cccc(C=C2SC(=S)N([C@@H](CO)C(=O)O)C2=O)c1	2323831534	AGETWHXLCXGTDX-LBPRGKRZSA-N	367.448	2.122	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H](Cc1ncns1)NC(=O)OC(C)(C)C	2315987964	CEPOHUKELIZLMU-SNVBAGLBSA-N	369.451	2.133	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C2(CC2)CO1	2315986651	GTIGJMQFPWBMIB-GFCCVEGCSA-N	353.423	2.314	10	10	FECE	
CCn1ncc(I)c1NC(=O)c1ccc(O)c(O)c1	2353648728	MWJFNKDYLJGIOO-UHFFFAOYSA-N	373.150	2.171	10	10	FECE	
CCN1CCC[C@H](NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)C1	52592369	AEAVJMPPVYANGU-KRWDZBQOSA-N	360.502	2.401	10	10	FECE	
COc1ccc(C2=NN(CCO)C(=O)/C2=C/c2ccc([N+](=O)[O-])cc2)cc1	102411867	OCXPSXPEQKBLJZ-SFQUDFHCSA-N	367.361	2.226	10	10	FECE	
CC[C@H](C)[C@@H](NC(N)=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1	66931681	LYXVBTSCMWYLHL-BLLLJJGKSA-N	352.454	2.371	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@@H]3CC[C@@H]4CN(C)C[C@@H]43)CC2)cc1	1346660497	OJYOUFVGYSIIER-LSTHTHJFSA-N	372.513	2.257	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)n1cc(I)cn1	79903034	LEEZJXAIPVEMLT-MRVPVSSYSA-N	356.167	2.270	10	10	FECE	
CCC(CC)N(CCO)c1cc2c(cc1Br)[C@@H](N)C(=O)N2	92775613	APAIQQIPTSVQFW-CQSZACIVSA-N	356.264	2.388	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC[C@@H](Cn3ccnn3)C2)c([N+](=O)[O-])c1	255919734	MKOVEIKVCUNFJM-ZQMJAJRESA-N	371.397	2.289	10	10	FECE	
Cc1c(/C=C\C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cnn1C	255652488	QPOCYUMOBCQUCG-YVMONPNESA-N	368.481	2.267	10	10	FECE	
CCCCN(Cc1ccccc1O)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1	282573350	ZWBZMWUMOPERJZ-HNNXBMFYSA-N	361.486	2.120	10	10	FECE	
C[C@@]1(F)CCCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	295548322	WVSOLZBKGHOBQG-LJQANCHMSA-N	367.440	2.103	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)CCOc1ccc(N)cc1	2162969485	QCAKSZVXPNDKII-DGCLKSJQSA-N	373.375	2.096	10	10	FECE	
CCn1cccc(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1=O	823762257	AQMMQJSYXRJUSM-AWEZNQCLSA-N	356.426	2.277	10	10	FECE	
Cc1ccn([C@H](C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1	822689014	WXCZKIUNQRNJIQ-OAHLLOKOSA-N	360.433	2.435	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](Cc1cncs1)C(=O)O	909043232	OUJMTLUMOHQQGW-OAHLLOKOSA-N	362.455	2.013	10	10	FECE	
CN(Cc1ccccc1O)C(=O)NCc1nn(C)cc1Br	838665598	PXGNISCKQXNGOV-UHFFFAOYSA-N	353.220	2.230	10	10	FECE	
Cc1cc(CC(=O)N2CCN3C(=O)OC[C@H]3C2)c(C)n1-c1ccccc1	830362687	PMFWDXDSWXTXBZ-GOSISDBHSA-N	353.422	2.300	10	10	FECE	
COc1ccc(N2CCC(NS(=O)(=O)[C@@H]3CCO[C@H](C)C3)CC2)cc1	830352344	LMWOGMILVZRTHM-RDTXWAMCSA-N	368.499	2.151	10	10	FECE	
COc1cccc(CNC(=O)[C@H](C[C@H]2COCCO2)C(F)(F)F)c1O	830539839	AGUCKBGMHMCOLP-RYUDHWBXSA-N	363.332	2.001	10	10	FECE	
CCN1C[C@@H](N[C@H](C)c2cc(Br)cc(OC)c2O)CC1=O	848553374	KXCKJSLKNSSPKC-KOLCDFICSA-N	357.248	2.435	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCOC[C@H]2c2ccnn2C)c([N+](=O)[O-])c1	845755208	AIMXWQMMGXTZLE-AATOQMJSSA-N	372.381	2.092	10	10	FECE	
Nc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCCC3=O)cc2)cc1	841019999	QQSRIQDBLFPFLA-UHFFFAOYSA-N	366.421	2.041	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CN(CCN(C)C)C(=O)[C@@H]2C)c1	843428753	MVJRYGBUUXCLHG-LBPRGKRZSA-N	370.291	2.015	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CC(C)(C)O[C@@H]3COC[C@H]32)c([N+](=O)[O-])c1	845772454	UPVKOIMRKYCPNY-HIFBNBFRSA-N	362.382	2.164	10	10	FECE	
COc1ccc(N(CCC(C)C)Cc2cc(=O)n3nc(N)[nH]c3n2)cc1	856740036	PXSVRVYMCSKYGB-UHFFFAOYSA-N	356.430	2.061	10	10	FECE	
COc1ccccc1[C@H](NCc1ccc(N2CCOCC2)cc1)C(=O)O	756369349	YKFVTQCXTMLDHD-IBGZPJMESA-N	356.422	2.447	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H](C)n4ccnc43)C2)cc1	852372486	CDIYLELMOHFRBT-KEYYUXOJSA-N	355.442	2.476	10	10	FECE	
COC(=O)c1cccc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	855230525	DWAXQOVVIPGQFT-INIZCTEOSA-N	354.406	2.491	10	10	FECE	
CN(C)c1ccc(CNC(=O)[C@@H]2OCC[C@@H]2NC(=O)OC(C)(C)C)cc1	858161289	KOLITRXVIDYBKL-JKSUJKDBSA-N	363.458	2.051	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)c1	860241227	GVMLNGRSUBARQD-FXHACXQTSA-N	369.421	2.193	10	10	FECE	
O=C(CC[S@@](=O)c1ccc2c(c1)OCCO2)N1Cc2cccc(O)c2C1	871202265	BODGORMSNCSTOH-AREMUKBSSA-N	373.430	2.204	10	10	FECE	
COc1ccc(O)c(CNC(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)c1	772790444	DRQGSFJKMXYPTK-CYBMUJFWSA-N	358.320	2.237	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)[C@@H]3CC[C@H](C(=O)OC)C3)CC2)cc1	1118007108	ZKVVBGVWCWWTGM-CVEARBPZSA-N	360.454	2.323	10	10	FECE	
O=C1[C@@H]2CCCN2C(=O)N1Cc1ccc(N2CCN(CC3CC3)CC2)cc1	777672936	DQOAECKZMQSGEM-IBGZPJMESA-N	368.481	2.145	10	10	FECE	
Cc1nc(COC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)no1	784286976	IQYNMEFFHLVNHO-UHFFFAOYSA-N	363.329	2.093	10	10	FECE	
O=C(NCC[C@H]1CCC2(CCOCC2)CO1)c1c(F)ccc(O)c1O	899454131	GSIGPGZNXBAZLT-GFCCVEGCSA-N	353.390	2.333	10	10	FECE	
COC(=O)[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1cccc(O)c1	792181105	OGPXZILZFWQYMS-FQEVSTJZSA-N	369.465	2.148	10	10	FECE	
O=C(NCc1c(O)ccc2c1CCCC2)c1nc(-c2cnccn2)no1	1150386931	NZSXQHDBMQFXQJ-UHFFFAOYSA-N	351.366	2.041	10	10	FECE	
O=C(NCc1cccc(O)c1O)c1cccc(CN2C(=O)CSC2=O)c1	1153792290	QLFVFTPYNXKBMD-UHFFFAOYSA-N	372.402	2.223	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)OCC12CC2	2127542641	JIZSWCAWHIEVCH-STQMWFEESA-N	365.434	2.314	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1ccc(Cl)c(N2CCNC2=O)c1	1178910331	CMOZAIXJPUJNPH-UHFFFAOYSA-N	361.785	2.211	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)N2CCC(CN=[N+]=[N-])CC2)C1	2124538838	OAMGHWBCYONLEE-ZIAGYGMSSA-N	367.450	2.153	10	10	FECE	
CC(C)(C)OC(=O)N1CCCN(CC(=O)N2CCC(N=[N+]=[N-])CC2)CC1	2124515840	OJZUMFNGCMNMEJ-UHFFFAOYSA-N	366.466	2.231	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@H](Nc3c(N)cccc3C(=O)O)CO[C@H]2C1	2121656980	LILIDRZBWZUXLM-YUTCNCBUSA-N	363.414	2.013	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@](O)(CN(C)C)C3)ccc21	1528678901	BQIVSRVIRHGZQQ-OAQYLSRUSA-N	373.497	2.043	10	10	FECE	
CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NCc1cccc(O)c1O	1520508538	FHOXUAQEIWUSOX-GFCCVEGCSA-N	352.456	2.052	10	10	FECE	
COCC1(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCC1	1469938723	WHPXESMTOYZRSQ-GOSISDBHSA-N	362.518	2.471	10	10	FECE	
CCN[C@H](c1ccccc1O)[C@@]1(O)CCOC[C@@H]1NC(=O)OC(C)(C)C	1922427260	XPZXJBASILLREZ-FRQCXROJSA-N	366.458	2.088	10	10	FECE	
CCN(CCNCc1ccc(OC)c(C)c1)C(=O)[C@@H]1C[C@H]1c1cncn1C	1716240735	OEXFGCHARIIFPF-QZTJIDSGSA-N	370.497	2.479	10	10	FECE	
COc1ccc(N2CCCN(c3nnc(C)n3C[C@H](C)N(C)C)CC2)cc1	1554959869	RSEOGTHCFXPDDY-INIZCTEOSA-N	372.517	2.262	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1	1558534904	ZNDKBDZZTNRMEM-AWEZNQCLSA-N	372.396	2.406	10	10	FECE	
CC(C)(C)OC(=O)NC1CC(CC(=O)NCc2cccc(O)c2O)C1	1643812307	DIQAHCPKDFIMCB-UHFFFAOYSA-N	350.415	2.407	10	10	FECE	
CCNC(=O)NC1(C(=O)C(=O)CC(C)(C)CC(=O)OCC)CCCC1	1640257581	WAAZZRVJTREPLQ-UHFFFAOYSA-N	354.447	2.126	10	10	FECE	
Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)c2c(F)ccc(O)c2O)cc1	1650952458	DTAQUHBJFHFBTP-NSHDSACASA-N	367.398	2.138	10	10	FECE	
COC(=O)/C=C/c1ccc(N(C)C[C@H](O)c2cccnc2)c([N+](=O)[O-])c1	1655832646	NRCWBKFZHGZRMX-JKNJVXJCSA-N	357.366	2.346	10	10	FECE	
CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccc(N)cc1	160330329	WJCQJKOPBZEVSK-INIZCTEOSA-N	365.430	2.350	10	10	FECE	
COc1ccccc1N1CCN(C(=O)[C@H](C)Oc2ccc(N)cc2)CC1	1860081644	AXSNQRLUMBLNHV-HNNXBMFYSA-N	355.438	2.394	10	10	FECE	
C[C@@H](NCc1cc(Br)ccc1O)C1CCS(=O)(=O)CC1	809713167	KMHORZIYQFZPKQ-SNVBAGLBSA-N	362.289	2.458	10	10	FECE	
Cc1c(OCCCC(=O)O)c(=O)ccn1CCCOc1ccc(N)cc1	1857919634	PWYLPINRMZBCLK-UHFFFAOYSA-N	360.410	2.452	10	10	FECE	
C[C@H](NC(=O)[C@@H]1OCC[C@@H]1CNC(=O)OC(C)(C)C)c1ccccc1O	1877573377	KGEHFWBFVGOTMO-WOSRLPQWSA-N	364.442	2.499	10	10	FECE	
CCN1CCc2cc([C@@H](N)[C@@]3(O)CN(C(=O)OC(C)(C)C)[C@@H]3C)ccc21	1887683345	IHXVGQPVDBCMIS-YXKFXFPPSA-N	361.486	2.439	10	10	FECE	
C[C@H](c1cc(Br)ccc1O)N1CC[C@@H]2CS(=O)(=O)C[C@@H]21	2151233281	RTVBNTYAYYDKQB-BREBYQMCSA-N	360.273	2.335	10	10	FECE	
COc1cc(Cl)cc(CNC[C@@H](CO)NC(=O)OC(C)(C)C)c1O	2011518624	REQBIJNSXBGGPQ-LBPRGKRZSA-N	360.838	2.029	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](NCc3ccc(O)c(O)c3O)C[C@H]21	2037299144	UULVTSOCOMGPRP-JHJVBQTASA-N	350.415	2.291	10	10	FECE	
Nc1ccc(CC(=O)N2C[C@@H](CNC(=O)C(F)(F)F)C3(CCC3)C2)cc1	2174057842	XKCCSALQDMIASS-CYBMUJFWSA-N	369.387	2.119	10	10	FECE	
C[C@@H](CN(C)[C@@H](C)C(=O)Nc1ccc(N)cc1)NC(=O)OC(C)(C)C	2044598449	RZSOXIGTLZCBLL-STQMWFEESA-N	350.463	2.441	10	10	FECE	
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(O)c(O)c1	2054397635	JZXAGJHFESPBCI-DGCLKSJQSA-N	350.415	2.473	10	10	FECE	
CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCCCCN=[N+]=[N-]	2060617142	KGDBKQPVHWBFAU-QWHCGFSZSA-N	355.439	2.465	10	10	FECE	
CN1CCc2cc([C@H](O)c3cn(C)[nH]c3=NC(=O)OC(C)(C)C)ccc21	2106798816	PADBXBBJOMNNEY-INIZCTEOSA-N	358.442	2.263	10	10	FECE	
CCN1CCc2cc([C@@]3(N)COCCN(C(=O)OC(C)(C)C)C3)ccc21	2106844725	VXJPGONCJYBDPR-FQEVSTJZSA-N	361.486	2.490	10	10	FECE	
CCCN(c1ccc(CO)c(Br)c1)[C@@H]1CCS(=O)(=O)C1	2201895822	MWCUFBJMLIMYFU-CYBMUJFWSA-N	362.289	2.345	10	10	FECE	
CC(C)(C)OC(=O)NCCc1nc(=NCc2ccccc2O)s[nH]1	2216311352	GNUGCLZCKHBMDS-UHFFFAOYSA-N	350.444	2.345	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])C1	2218742504	DAQMKMWLONGCNY-HSMVNMDESA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@@H](CN(Cc3ccc(N)cc3)C2)[C@H]1CO	2230886557	POOXXKHTPNQUNF-ONIAQPFYSA-N	361.486	2.222	10	10	FECE	
Cc1ncc(C=CC(=O)N(C)c2ccc(S(=O)(=O)N(C)C)cc2)s1	2312234242	PFHARIJSWJRKAT-UHFFFAOYSA-N	365.480	2.378	10	10	FECE	
COC[C@]1(C(=O)N2CC[C@H](N=[N+]=[N-])C2)C=CCN1C(=O)OC(C)(C)C	2314782194	VRIMHWGIVMVLHA-LRDDRELGSA-N	351.407	2.090	10	10	FECE	
Cc1cccn2c(=O)c(C(=O)N(C)Cc3ccc(N(C)C)cc3)cnc12	179664893	VVGDBPLWGGPPIG-UHFFFAOYSA-N	350.422	2.341	10	10	FECE	
O=C1Cc2cc(N3CCN(C(=O)NCc4ccccc4)CC3)ccc2N1	62575950	HXAOVXVWUNZREE-UHFFFAOYSA-N	350.422	2.213	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(N)=O)cc1	79712788	AMIXPAGRUJPDJS-IBGZPJMESA-N	368.481	2.429	10	10	FECE	
CC(C)(C)OC(=O)NC12CC(C(=O)N3CCc4cc(O)c(O)cc4C3)(C1)C2	2366906181	MLMDWJUASCJNMF-UHFFFAOYSA-N	374.437	2.430	10	10	FECE	
CN1CCCC[C@H]1CN1CCN(Cc2ccc(N3CCOCC3)cc2)CC1	93147328	YSWWXSFIFAVUAH-QFIPXVFZSA-N	372.557	2.125	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC(Cn3ccnn3)CC2)c([N+](=O)[O-])c1	254989671	CCVCIDWZBFVBBH-HYXAFXHYSA-N	371.397	2.289	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1	808502126	YGVXEKUBIZQZSU-ZDUSSCGKSA-N	372.204	2.299	10	10	FECE	
CN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2O)C1	294845428	ZMROXBIMIBEDRW-LLVKDONJSA-N	350.843	2.041	10	10	FECE	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCc2cnn(C)n2)cc1	822883604	JZVZOZLPGLUHKI-IBGZPJMESA-N	371.485	2.022	10	10	FECE	
COCCN1CCC[C@@H]1CNC(=O)c1csc(Cc2ccc(N)cc2)n1	828507084	JZYVIEDUXYESMX-MRXNPFEDSA-N	374.510	2.157	10	10	FECE	
CCOC(=O)CC1(NCC(=O)NCc2ccc(N(C)C)cc2)CCCC1	839589286	FUGYBVBEYXOLEQ-UHFFFAOYSA-N	361.486	2.224	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)N(CCO)C[C@H]2C)cc1	842174908	OTNIQHCCJKCFCY-DLBZAZTESA-N	362.518	2.129	10	10	FECE	
C[C@@]1(c2ccc(F)cc2)CCN(C(=O)C(=O)NCCc2ccc(N)cc2)C1	842241650	HEDDVYHEUSHDFO-OAQYLSRUSA-N	369.440	2.257	10	10	FECE	
COc1c(C)ncnc1NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	848654398	ZEUVOTSQUCFCET-OAHLLOKOSA-N	355.442	2.107	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)NC[C@H](O)c3ccnn3C)cc2)CC1	917521820	ASEIPTKUYQHRFN-IBGZPJMESA-N	371.485	2.189	10	10	FECE	
Cc1cc(O)c(CN2CCC[C@H](C(=O)N3CCOCC3)C2)c(Cl)c1	840909122	AHZYZXQZRNLSNN-AWEZNQCLSA-N	352.862	2.425	10	10	FECE	
O=S1(=O)Cc2ccccc2[C@@H](NCc2ccc(N3CCOCC3)cc2)C1	857062212	ZCMBJYDVQLWYPV-FQEVSTJZSA-N	372.490	2.283	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3CO[C@H](C4CC4)C3)C2)cc1	858552898	XBYHXNYBNIMAAY-ALKREAHSSA-N	359.470	2.388	10	10	FECE	
C[C@@H](NCCCN1CCC[C@H]1C(=O)N(C)C)c1cc(F)cc(F)c1O	756523253	BIRWKUVFRLVRFN-WBMJQRKESA-N	355.429	2.264	10	10	FECE	
O=C(NCc1cc(NC(=O)[C@H]2CCSC2)ccc1O)[C@@H]1CCSC1	923120125	QOWDQFHEQMGJSU-NEPJUHHUSA-N	366.508	2.453	10	10	FECE	
C[C@@H](CC(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCCO1	850079447	NIGPBJQHSJUROS-MAUKXSAKSA-N	362.470	2.459	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CCO[C@@H](CCF)C1	859348888	ZEZVPHHEKATACO-INIZCTEOSA-N	366.433	2.108	10	10	FECE	
CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(N4CCOCC4)c(F)c3)[C@H]2C1	770385788	WOQQSMRGRJMSJD-LSTHTHJFSA-N	364.461	2.431	10	10	FECE	
COC(=O)N1CCC[C@H]([C@H](C)NC(=O)NCc2cc(OC)ccc2O)C1	776146290	YAAZOYHGVFXMEH-STQMWFEESA-N	365.430	2.067	10	10	FECE	
Cc1nnsc1C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	788003014	BLEZMYITGGIPEW-UHFFFAOYSA-N	371.510	2.309	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@H](OC(F)F)C1	781374064	XROBBLTUPVNBLK-INIZCTEOSA-N	369.412	2.436	10	10	FECE	
COc1ccc(N2CCC(NC(=O)c3cncc4nc[nH]c34)CC2)cc1	896088922	XZFGNGPVHMLXBE-UHFFFAOYSA-N	351.410	2.365	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3C[C@H]4C[C@H]3[C@H](CO)C4)C2)cc1	895435448	JRKVTLYQKQXLSR-BUSATUKNSA-N	373.497	2.228	10	10	FECE	
CC[C@@H]1OCC[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	796812800	CBGYFKVLSBQPLR-QAPCUYQASA-N	350.434	2.218	10	10	FECE	
CN(C)c1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)cc1	2116270983	UGVNAVNGNCNFNZ-WMZOPIPTSA-N	363.502	2.460	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)[C@H]1COC[C@H]1NC(=O)OC(C)(C)C	2124351390	XVERSWYUEZXZEM-VHDGCEQUSA-N	364.442	2.451	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)N3CCC[C@@H]3CN=[N+]=[N-])[C@@H]2C1	2124536371	QUIFJJSGPXXWFV-RQJABVFESA-N	365.434	2.170	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2cc(O)c(O)c(O)c2)C1	2132404080	OZLBMVJADOMICB-PWSUYJOCSA-N	366.414	2.179	10	10	FECE	
CO[C@@H]1CCC[C@H]([C@@H](CO)NC(=O)NCc2ccc(N(C)C)c(F)c2)C1	1347236813	BRWFANBFHGRDQM-ZMSDIMECSA-N	367.465	2.257	10	10	FECE	
COc1cccc(CN[C@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)c1O	2133756393	WHDIJYIFRNGOOF-LJQANCHMSA-N	366.458	2.252	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cnc2c[nH]nc2c1	1463778224	OMZACDMYXHKUIS-UHFFFAOYSA-N	351.410	2.067	10	10	FECE	
COc1cc(C)c(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(OC)c1	1186973	RKORXXRWWWDZTE-OQLLNIDSSA-N	370.361	2.267	10	10	FECE	
CON(C)c1nnc(-c2cnccn2)n1Cc1ccc2c(c1)CCCN2C	1712658706	MJUIKJZERBOMPG-UHFFFAOYSA-N	365.441	2.163	10	10	FECE	
O=C(NCc1ccnc(-c2ccccn2)n1)NCc1c(O)cccc1F	1638013067	HPVCAPJLFYQNRC-UHFFFAOYSA-N	353.357	2.383	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@]1(O)CCCN(Cc2ccccc2)C1	1635658525	ZDZWIDJKISZMJW-OAQYLSRUSA-N	354.450	2.378	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1	1637481008	HXNTWKRDBUPYHY-MRXNPFEDSA-N	372.465	2.282	10	10	FECE	
CCc1csc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2O)n1	1639722216	QJQCPCIUEXMSFS-SECBINFHSA-N	369.468	2.274	10	10	FECE	
O=C(NCc1cccc(O)c1O)c1ccc2c(c1[N+](=O)[O-])OCCCO2	1644710552	CZERXFNDMVLOKG-UHFFFAOYSA-N	360.322	2.097	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@]1(C)CN(C2CC2)C1=O	1744548686	IVJKMSPDJCZZQW-HXUWFJFHSA-N	369.469	2.193	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C1	2060632678	DVLJVYJJKJICRT-OLZOCXBDSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)NC1(C(=O)NCC2(CN=[N+]=[N-])CC2)CCOCC1	2060634515	AQRMQKRLBYVUAW-UHFFFAOYSA-N	353.423	2.267	10	10	FECE	
CN(Cc1ccccc1)[C@@H]1CCN(c2cc3c(cc2N)OCC(=O)N3)C1	2095875404	JMULMLXGJUPPFG-OAHLLOKOSA-N	352.438	2.310	10	10	FECE	
C[C@H](C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-])N1CCN(C(=O)OC(C)(C)C)CC1	2225792387	MSWGXWSTVOISGA-MCIONIFRSA-N	366.466	2.275	10	10	FECE	
CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(O)c(OC)c2)SC1=S	2296042385	KKDNBOWDHVMEJU-SECBINFHSA-N	353.421	2.465	10	10	FECE	
COc1cccc(N2C(=O)NC(=O)C(=CNc3ccccc3F)C2=O)c1	2297317918	JDUFXSOBIQKYFB-UHFFFAOYSA-N	355.325	2.413	10	10	FECE	
CC(C)(C)OC(=O)N(CCCO)CCC(=O)N1CCC(N=[N+]=[N-])CC1	2319870361	NSUGBTGBFMCVOJ-UHFFFAOYSA-N	355.439	2.297	10	10	FECE	
CC(C)(C)OC(=O)NOCCCC(=O)N1CCc2cc(O)c(O)cc2C1	2341194782	YJZWDYMUZXSYNV-UHFFFAOYSA-N	366.414	2.219	10	10	FECE	
C[C@H](Cn1cncn1)NC(=O)N(Cc1ccco1)Cc1ccccc1O	102017193	NGCUXKOCRQBVHG-CQSZACIVSA-N	355.398	2.377	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cnn(-c2ncccn2)c1	174877667	BLSUWIZIVXAILA-UHFFFAOYSA-N	361.409	2.360	10	10	FECE	
CN(Cc1nc2ccccc2n1C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	301615782	JFIDIUCBCDNHKC-UHFFFAOYSA-N	367.365	2.449	10	10	FECE	
COc1ccc(-n2cc(CNC(=O)N(C)Cc3ccccc3O)nn2)cc1	88621224	KTEVLGXRSSLERN-UHFFFAOYSA-N	367.409	2.323	10	10	FECE	
CN1CC[C@@H]2[C@@H](CCCN2C(=O)/C=C\c2ccc(N3CCOCC3)cc2)C1	255338782	SYFRBVSCXOUCRD-AAIAPFPOSA-N	369.509	2.479	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)Nc3ccncc3F)CC2)cc1	273685964	GKQKYSADQQZFHD-UHFFFAOYSA-N	373.432	2.173	10	10	FECE	
CCN(CC)C(=O)CCC(=O)NCc1cc(Br)ccc1O	804737120	INVORVANNQJSMS-UHFFFAOYSA-N	357.248	2.420	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCc2nc[nH]c2C1	819974516	NFQHMGUANMBTSB-INIZCTEOSA-N	354.454	2.010	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CNC3CCC4(CC3)CC4)CC2)cc1	819265419	OVUHCNSLNXMXTP-HXUWFJFHSA-N	373.541	2.491	10	10	FECE	
N#Cc1ccc(-c2ccc([C@@H](O)[C@@H](CF)NC(=O)CN=[N+]=[N-])cc2)cn1	135842127	MXMYLQHZUQULBE-NVXWUHKLSA-N	354.345	2.418	10	10	FECE	
CN(C(=O)c1c[nH]nc1[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cnn(C)c1	828522623	KCRNEMCNMOKZJG-LBPRGKRZSA-N	374.445	2.144	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)N[C@@H](C)C3CCCC3)C2)cc1	824934786	HAMPAQHZOSFYIJ-HOTGVXAUSA-N	373.497	2.333	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)N1CC[C@@H](F)C1	838534396	SBVVRXXFFIRCKW-GOSISDBHSA-N	360.477	2.472	10	10	FECE	
COCC(C)(C)CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	839556127	ICUBQNPWWBNJFG-MRXNPFEDSA-N	361.486	2.067	10	10	FECE	
CNS(=O)(=O)c1cccc(CNC/C=C/c2ccc(N(C)C)cc2)c1	835035968	NAHMZBKBTJPYSF-FNORWQNLSA-N	359.495	2.464	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NOCC(C)(C)O)C1	839746236	YNDCSMZCYHTNRF-UHFFFAOYSA-N	359.470	2.227	10	10	FECE	
COC(=O)C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H]1C	915366215	MSPDYKQOXAQTIJ-TZMCWYRMSA-N	351.422	2.232	10	10	FECE	
COc1cc([C@@]2(NC(=O)OCc3ccccc3)C[C@H]2C(=O)O)cc(O)c1O	1952888367	SDQBJRGXQFFRFN-DJJJIMSYSA-N	373.361	2.333	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3C[C@@H]4C[C@H]3C[S@]4=O)c2C)cc1	846561410	SVNNPXNNQZLLQY-LMZHUWQESA-N	358.463	2.448	10	10	FECE	
COc1ccc(N2CCN(C(=O)COC(=O)[C@@H]3CCC[C@H]4C[C@@H]43)CC2)cc1	849860152	SXNJIAHPPVEQEB-IPELMVKDSA-N	372.465	2.323	10	10	FECE	
Nc1ccc(CCNC(=O)CN2CC[C@@H](c3ccccc3)NC2=O)cc1	852797367	QDMXAGKHRAEWBC-SFHVURJKSA-N	352.438	2.084	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1ccc(=O)c2ccccc21	753640160	KTNTUTZSGXPVKC-ZDUSSCGKSA-N	352.390	2.160	10	10	FECE	
CCO[C@@]1(C)C[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	858784371	PNLXGJZAOMXJJA-MJGOQNOKSA-N	365.449	2.154	10	10	FECE	
C[C@@H](NCC(C)(C)CS(N)(=O)=O)c1ccc(Br)cc1O	866571247	BSMALGSDMHNITI-SECBINFHSA-N	365.293	2.120	10	10	FECE	
CN1CCCc2cc(CNCc3nc(Br)nn3C)ccc21	894208377	HGEHHQAFKIQMIM-UHFFFAOYSA-N	350.264	2.250	10	10	FECE	
Cc1ccncc1N1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1	798961695	BYRHLJYALCRAEI-UHFFFAOYSA-N	365.525	2.464	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCN(Cc3cccnc3)CC2)cc1	1141366829	AOQUPDPTKBRFMZ-UHFFFAOYSA-N	352.398	2.202	10	10	FECE	
CN(C)Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)o1	1141901275	DRSZVPRVFRGXMQ-UHFFFAOYSA-N	361.417	2.247	10	10	FECE	
Nc1ccc(CS(=O)(=O)NCc2ncc(Br)s2)cc1	714931676	GJOWDSPVJOAWHO-UHFFFAOYSA-N	362.274	2.107	10	10	FECE	
COc1ccc(CNC(=O)c2c(C)c(=O)n(C)c3ccccc23)c(O)c1	1155573929	DKBZVNMPFRFZSZ-UHFFFAOYSA-N	352.390	2.491	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)NCc1nc(O)c2c(n1)CCOC2	1235542882	DTJYUGHDBOWEEG-UHFFFAOYSA-N	372.425	2.082	10	10	FECE	
CC(C)(C)OC(=O)NCC1(O)CC(C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C1	2124541972	YMTBJJXFSTWXJC-JZLYGMAVSA-N	367.450	2.344	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC(C)(C)CC(F)F	1333794855	OJLSBUCSEHRTBZ-UHFFFAOYSA-N	355.429	2.475	10	10	FECE	
COc1ccc(N2CCCN(C(=O)NCCN3CCC[C@@H]3C)CC2)cc1	1251376522	HPJZGZXQFYMJQW-KRWDZBQOSA-N	360.502	2.401	10	10	FECE	
C[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)[C@H](C)CN1C(=O)OC(C)(C)C	2132404364	RFDKXKZFWIODDF-GHMZBOCLSA-N	366.414	2.273	10	10	FECE	
CCOCc1nnc(N(C)[C@@H]2CCOC2)n1Cc1ccc(N(C)C)cc1C	1503006441	FELVFRIGAWYFRA-GOSISDBHSA-N	373.501	2.462	10	10	FECE	
CS(=O)(=O)C1CCC(C(=O)Nc2c(Cl)ccc3nonc23)CC1	1436136850	GAADSIXFGKOXDL-UHFFFAOYSA-N	357.819	2.418	10	10	FECE	
CCN1CCN(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)[C@@H](C)C1	1478859810	IDOUHGICXFJEOA-DLBZAZTESA-N	360.502	2.257	10	10	FECE	
COC(=O)C1(O)CN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1	1636380398	ICIYFJMXZGUWKT-UHFFFAOYSA-N	362.813	2.107	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc3c(N(C)C)ncnc3n2C)c1	1636061842	YVJAUABFPJRRIM-LLVKDONJSA-N	369.425	2.240	10	10	FECE	
CC(C)(C)OC(=O)[C@H]1COCCN1C(=O)c1ccc(N=NC(N)=O)cc1	1632838919	FNWVVDNYSDUCAL-CYBMUJFWSA-N	362.386	2.032	10	10	FECE	
COCC(=O)N1CCc2c(NC(=O)c3c(F)ccc(O)c3O)cccc21	1648705901	FVYODTQYLPYLJP-UHFFFAOYSA-N	360.341	2.025	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@@H]1CCCCN1C(=O)c1cccs1	1652622751	HRGXXFSRAMMFNK-ZDUSSCGKSA-N	360.435	2.470	10	10	FECE	
CN(C)S(=O)(=O)c1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1	1583817967	WEWJJETXFCXQFA-UHFFFAOYSA-N	368.842	2.226	10	10	FECE	
C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(N2CCOC2=O)cc1	1597744092	PFHRRCIWMATCRZ-LBPRGKRZSA-N	356.378	2.474	10	10	FECE	
C[C@H](NC(=O)[C@H]1COC[C@@H]1N(C)C(=O)OC(C)(C)C)c1ccccc1O	1877568703	VKIAOEZOAKPMNV-QEJZJMRPSA-N	364.442	2.451	10	10	FECE	
C[C@H](N)c1ccc(N2C[C@@H]3[C@H](CCS3(=O)=O)C2)c(Br)c1	2145072514	KJXCNOGDGYVDJW-DRCTWCGVSA-N	359.289	2.092	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CCO)(CNCc2ccc(F)cc2O)C1	1972799624	GEOIXKOXIFUBAE-UHFFFAOYSA-N	354.422	2.240	10	10	FECE	
C[C@@H]1Cn2[nH]c(=NCc3ccc(O)c(O)c3)cc2CN1C(=O)OC(C)(C)C	2149124265	VMJWINPQHQOBGD-GFCCVEGCSA-N	374.441	2.468	10	10	FECE	
CCN(C(=O)c1cnn(C)c1I)c1ccc(N)cc1	379176094	QREDBUWQVUNRPR-UHFFFAOYSA-N	370.194	2.274	10	10	FECE	
O=[N+]([O-])c1cc(N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)ccc1CO	2188574598	BKMPBOCDSKALIH-VQTJNVASSA-N	369.421	2.177	10	10	FECE	
CCOC1(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CN(C(=O)OC(C)(C)C)C1	2060615601	PWEXHLGZXLCTDZ-LBPRGKRZSA-N	353.423	2.171	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CCO2	2060614631	FJLRPRSEBXCFFH-BLLLJJGKSA-N	353.423	2.171	10	10	FECE	
CO[C@]1(C(=O)N2CCC[C@H]2CN=[N+]=[N-])CCN(C(=O)OC(C)(C)C)C1	2060617927	TWJNCINAGBBOBE-BLLLJJGKSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2CNCc1ccc(O)c(O)c1O	2082900461	HEJQIIMKWCZEGJ-UPJWGTAASA-N	350.415	2.148	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(O)CCCN(C(=O)Nc2ccc(N)cc2)C1	2106699697	PIGFAMQBPVFSSU-GOSISDBHSA-N	364.446	2.152	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21	2106764579	JEZAPJPACZJXFK-WQVCFCJDSA-N	360.458	2.289	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CC([C@H](F)CO)C3)ccc(N)c2C1	2110594675	KIPHNPHJTJGWOP-OAHLLOKOSA-N	365.449	2.329	10	10	FECE	
C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1c(O)cccc1Br	2114228343	OSOABGSOANNOTC-VHSXEESVSA-N	350.278	2.408	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H](NC(=O)c2cccc(O)c2O)C1	2219127749	WRXBTVYKZWUHPD-QWRGUYRKSA-N	354.378	2.175	10	10	FECE	
CN[C@H](c1ccccc1O)[C@]1(O)C[C@H](OC)CN(C(=O)OC(C)(C)C)C1	2344434735	YUSFZEUBEPQLKL-CRFBAAHOSA-N	366.458	2.040	10	10	FECE	
O=C1C[C@@H](CNCc2cc3c(cc2O)OCO3)CN1Cc1ccccc1	179061514	YSFIDUTZZIGYBI-HNNXBMFYSA-N	354.406	2.259	10	10	FECE	
COC[C@@](C)(CCO)NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1	1348272737	YACRCJRDURIWQV-HXUWFJFHSA-N	358.438	2.424	10	10	FECE	
COc1ccc(O)c(CNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c1	114542855	AZTSMBWKOBUAAX-HNNXBMFYSA-N	354.406	2.379	10	10	FECE	
COc1ccc(N2CCN(C(=O)C34CCC(OC)(CC3)CC4=O)CC2)cc1	1349263516	AIBOUJCCFBAYNS-UHFFFAOYSA-N	372.465	2.262	10	10	FECE	
CCCOc1ccccc1/C=C/C(=O)NCCN1C(=O)CSC1=S	71500723	XXXLKGKGUODRMG-BQYQJAHWSA-N	364.492	2.465	10	10	FECE	
Cc1cc(C(=O)N2CCN(CCO)[C@@H](C)C2)c(C)n1-c1ccc(C#N)cc1	187262084	HUNHTTUGFZWJFB-INIZCTEOSA-N	366.465	2.104	10	10	FECE	
Cn1cc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cn1	125803713	JOLSTWDOUCQSHB-UHFFFAOYSA-N	365.396	2.253	10	10	FECE	
CCN1CCN([C@@H]2CCN(Cc3cccc(Br)c3O)C2)CC1	93133080	MLRVCYKOGFSGGR-OAHLLOKOSA-N	368.319	2.367	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN(C)Cc2nc([C@H](C)OC)no2)c1O	278204953	JLNRRVQBPUTGRA-VIFPVBQESA-N	352.347	2.031	10	10	FECE	
Cc1ccc(CN(C)C(=O)[C@@H]2CNCCS2)c(O)c1Br	2380794213	YIAUKZLZBILRQY-NSHDSACASA-N	359.289	2.127	10	10	FECE	
O=c1cc(/C=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)nc2nc[nH]n12	806570656	GQXJAOWLJWBSLO-XQRVVYSFSA-N	366.381	2.487	10	10	FECE	
CC(C)(C)n1cc(C(=O)NCc2cc(Br)ccc2O)nn1	804736011	JZIYTVJIELOMFV-UHFFFAOYSA-N	353.220	2.431	10	10	FECE	
COc1cccc(CNC(=O)N[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c1O	822603752	YHWITNMORSZUIF-GDBMZVCRSA-N	358.442	2.345	10	10	FECE	
CCOC(=O)[C@@H]1CSCCN1C(=O)c1cc2cc(O)c(O)cc2s1	900114117	QKSFDBAYSIDUBO-JTQLQIEISA-N	367.448	2.433	10	10	FECE	
CC[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@H](O)C(F)F	837651444	LRHGCPDYSDKRII-CABCVRRESA-N	373.469	2.444	10	10	FECE	
NC(=O)[C@H]1Cc2ccccc2N(C(=O)/C=C/c2cnc3ccccc3n2)C1	732737616	BUGIPEOETIFCBV-FEAKQIBJSA-N	358.401	2.334	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3c(Cl)n[nH]c3C)CC2)c(OC)c1	913482072	FDXCBHVJSBMRLZ-UHFFFAOYSA-N	364.833	2.351	10	10	FECE	
Cc1cc(C(=O)N2CCc3c(O)nn(C)c3C2)c(C)n1-c1ccccn1	913034710	COITXAKOUOBVNN-UHFFFAOYSA-N	351.410	2.127	10	10	FECE	
COc1cc(N2CCN(C(=O)C3(C(F)F)CC3)CC2)cc(OC)c1OC	843579765	PLWJDKXKEPTRGE-UHFFFAOYSA-N	370.396	2.406	10	10	FECE	
C[C@@H](NC[C@H]1CS(=O)(=O)c2ccccc2O1)c1cc(F)ccc1O	842885175	WKHWAXLHMRQBPQ-YPMHNXCESA-N	351.399	2.417	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)NCc1ncc2c(n1)CCOC2	844888575	VMRNDEDDVYKJMO-UHFFFAOYSA-N	367.453	2.149	10	10	FECE	
CO[C@H]([C@@H](N)Cc1ccc(O)c(O)c1)C(C)(C)NC(=O)OC(C)(C)C	1952911317	RCHLDPRDFVPRRB-SWLSCSKDSA-N	354.447	2.286	10	10	FECE	
Cc1cc(CCNC(=O)N2CCOC[C@H]2CCO)c(C)n1-c1ccccc1	758314453	CADVOXRVMYNLTG-HXUWFJFHSA-N	371.481	2.429	10	10	FECE	
CCn1nc(C)c(CC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1C	855225229	IYHHLNMEHDDWLG-INIZCTEOSA-N	356.470	2.466	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@H](N4CCCC4)C3)C2)cc1	854301006	GBTDYXCTMOMDAR-SJLPKXTDSA-N	358.486	2.154	10	10	FECE	
CCC[C@]1(CO)CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	854297275	LOEVHFRLMGWJRB-JXFKEZNVSA-N	361.486	2.468	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N(C)CCCn3ccnc3)C2)cc1	852452924	FMRSJEDUQIZQET-MRXNPFEDSA-N	357.458	2.202	10	10	FECE	
C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@](C)(C(F)F)O1	852780536	OALZXFYWLFBZOP-SCLBCKFNSA-N	355.429	2.113	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCC(CCCO)CC3)C2)cc1	854298519	DOPBYCLMSLMLTB-QGZVFWFLSA-N	361.486	2.468	10	10	FECE	
COC(=O)c1ccc(CC(=O)NCc2c(O)ccc3c2CCCC3)cn1	866771752	XBRZBZHFVPBZCD-UHFFFAOYSA-N	354.406	2.312	10	10	FECE	
CN(CC1(c2ccccc2)CC1)C(=O)C(=O)N1Cc2cccc(O)c2C1	1119015294	WWKHERMEUMQQEQ-UHFFFAOYSA-N	350.418	2.425	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCCS1(=O)=O	874108247	QNNVNQIDKPLXHH-KRWDZBQOSA-N	352.500	2.457	10	10	FECE	
CCOc1cccc(CNc2ccc3c(c2)CN(CC(N)=O)CC3)c1O	788528950	KMVFTSSUSWYYOB-UHFFFAOYSA-N	355.438	2.246	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CCC[C@]12CCCO2	897486737	UOSVSPCWHAAZNL-NQIIRXRSSA-N	371.481	2.121	10	10	FECE	
COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)NCc3cc(Cl)ccc3O)[C@@H]2C1	897738010	XRQXQSWUILNASX-QOBDMFJFSA-N	352.818	2.433	10	10	FECE	
C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)c1cc2cc(O)c(O)cc2s1	897734518	HHBCWWJGUOSFCK-YPMHNXCESA-N	362.451	2.248	10	10	FECE	
O=C(O)CN1C(=O)/C(=C/c2cc(-n3ccnc3)cs2)SC1=S	783685369	WXJNOKYHUMSSKS-WMZJFQQLSA-N	351.434	2.220	10	10	FECE	
O=C(Nc1cccc(N2CCOCC2)c1)c1cccc(-c2nc(=O)o[nH]2)c1	1136340457	QNFIRUNTSJEGCA-UHFFFAOYSA-N	366.377	2.119	10	10	FECE	
CC[C@@H](N[C@@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(F)cc1O	796934345	RDNHAVIVAYEDMO-HZPDHXFCSA-N	360.433	2.497	10	10	FECE	
O=C(CCC(=O)c1ccc2c(c1)CCC(=O)N2)NCc1c(O)cccc1O	1156880769	AINDXMBSEQLAFV-UHFFFAOYSA-N	368.389	2.262	10	10	FECE	
C[C@]1(c2ccccc2)CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CCO1	1329798928	UPCHSISTEIBZPV-OAQYLSRUSA-N	366.417	2.009	10	10	FECE	
O=C(NCc1ccc(O)cc1O)[C@H]1CCCN(C(=O)NC2CCCC2)C1	1451765639	GUKBULRDOBVSFG-AWEZNQCLSA-N	361.442	2.078	10	10	FECE	
CCC1(CC)NC(=O)N(CC(=O)NCc2c(O)ccc3ccccc23)C1=O	1472086431	YZARDLJXJGWYTB-UHFFFAOYSA-N	369.421	2.272	10	10	FECE	
C[C@]1(c2ccc(C(=O)NCc3cc(Cl)ccc3O)cc2)NC(=O)NC1=O	1628666948	NHRBIBDGSBGVCO-GOSISDBHSA-N	373.796	2.030	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccccc1SCC(N)=O	1556515938	SREOYRIJYDNTQB-UHFFFAOYSA-N	365.451	2.385	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CCC2)n1Cc1cnnn1C	1711095090	AFOUOMLPQNOCBW-UHFFFAOYSA-N	353.430	2.064	10	10	FECE	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1nc2ccccc2[nH]1	2277195	MZQSXSFEKSRJMA-FMIVXFBMSA-N	350.309	2.368	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CC1(O)CCCC1	1632701747	LTCKJHSZWVHCQO-UHFFFAOYSA-N	355.818	2.242	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CC(c2cnn(C)c2)=NO1	1639521868	BOQBPBOLRVYRFZ-SFHVURJKSA-N	356.426	2.448	10	10	FECE	
CCN1CC[C@@H]1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	1631425430	FOXIOWGXAUZTKY-HZPDHXFCSA-N	351.878	2.220	10	10	FECE	
CCOC(=O)[C@H](CC)N(CC(=O)NCc1ccc(N(C)C)cc1)C1CC1	1658321966	KLFRGMBWAZTAGM-SFHVURJKSA-N	361.486	2.175	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)N2C[C@@]3(C)COC[C@@]3(C)C2)N(C)C)cc1	1684606648	ICGSVURIMJZTLB-SESVDKBCSA-N	374.529	2.423	10	10	FECE	
C[C@H]1CN(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)C[C@H](C)O1	161756725	VUPWLZZHDSTBRW-GJZGRUSLSA-N	368.499	2.491	10	10	FECE	
COc1cccc(CNC(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)c1O	153732457	BMJNETULUHAXSX-CYBMUJFWSA-N	359.430	2.450	10	10	FECE	
CCOc1cc(N2CCOCC2)c(OCC)cc1/N=N/N1CCNCC1	1860484188	BDFGZFUJUKUHLY-QZQOTICOSA-N	363.462	2.225	10	10	FECE	
CCn1nc2c(c1C(=O)N1CCN(c3ccc(OC)cc3)CC1)CCC2	1890532814	WBPQGKRBMLGZNH-UHFFFAOYSA-N	354.454	2.363	10	10	FECE	
CC(C)(C)OC(=O)N1CCS[C@@H](C(=O)NCc2ccccc2O)C1	2010112289	XQYHAZKLPWWJNR-CQSZACIVSA-N	352.456	2.361	10	10	FECE	
CN(C)c1ccc(CNC(=O)N[C@@H](COCc2ccccc2)C(=O)O)cc1	2160469937	MOEDRTQKDWXGIG-SFHVURJKSA-N	371.437	2.222	10	10	FECE	
CC(C)N(CCS(C)(=O)=O)c1ccc(CN)c(Br)c1F	2170172422	NEUJXUNKZHYHHX-UHFFFAOYSA-N	367.284	2.306	10	10	FECE	
CS(=O)(=O)C1CCN(c2ccc(CN)c(Br)c2F)CC1	380693122	FQLSHJYKZNFLMW-UHFFFAOYSA-N	365.268	2.060	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)N2CCC[C@H](N=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060613521	RWTPECYGXDWXKT-XQQFMLRXSA-N	353.423	2.312	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2060638097	RYNAIAFQOKFNMU-RWMBFGLXSA-N	355.439	2.200	10	10	FECE	
CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060611088	OYIIGXXFXGGZKT-QWHCGFSZSA-N	354.455	2.133	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)NCC2(CN=[N+]=[N-])CC2)O1	2060633669	QDZIDSOHMRSTGV-RYUDHWBXSA-N	353.423	2.265	10	10	FECE	
CCn1ncc(C(=O)C(=O)C[C@H]2C[C@H](N)C2)c1NC(=O)OC(C)(C)C	2068662177	YCFAZLOXOUSDEL-XYPYZODXSA-N	350.419	2.129	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@@H](C)CNC(=O)c1cc(O)c(O)c(O)c1	2068626554	BZLYYFPDOJXGCN-JTQLQIEISA-N	354.403	2.179	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@]1(C)C(=O)N1CCC(N=[N+]=[N-])CC1	2081168926	KLIGMMUTCPORLG-INIZCTEOSA-N	353.423	2.314	10	10	FECE	
COC1(CNCc2ccc3c(c2)CCN3C)CN(C(=O)OC(C)(C)C)C1	2101706819	ZNSPACIOMZJOKI-UHFFFAOYSA-N	361.486	2.404	10	10	FECE	
C[C@@H](CCS(C)(=O)=O)N(C)Cc1cc(Br)ccc1O	2104457276	YTTDXYUXVQQZGA-JTQLQIEISA-N	350.278	2.410	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CNC(=O)COc2ccc(N)cc2)C1	2106267549	BGEGUMHSVPADPT-BFUOFWGJSA-N	361.442	2.021	10	10	FECE	
Nc1ccc(OCCCN2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)cc1	2106768960	XSZHWCURCCJSTL-KBPBESRZSA-N	357.376	2.275	10	10	FECE	
COc1ccc(S(=O)(=O)NC2=NC(=O)C(=Cc3ccco3)S2)cc1	2296758227	KVRKGBLBLCFCQC-UHFFFAOYSA-N	364.404	2.237	10	10	FECE	
CC[C@H](C)[C@H](NC(=O)C=Cc1ccc(N2CCOCC2)cc1)C(=O)OC	2297505870	IZJFEFVWTDIENF-KXBFYZLASA-N	360.454	2.240	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N[C@@H]1CCN(C(=O)C2CCCCC2)C1	2308002208	FUTAIYPYZHWQGJ-MRXNPFEDSA-N	358.438	2.408	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1[C@H]2CCC[C@@H]2[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1	2309639018	FUFSSPXQNNYBEV-QJWYGPSESA-N	350.459	2.191	10	10	FECE	
CN(C)Cc1cc(CC[C@H](NC(=O)OC(C)(C)C)C(=O)O)ccc1O	1951703943	XFLSXMLBQDGNQA-AWEZNQCLSA-N	352.431	2.364	10	10	FECE	
O=S(=O)(Nc1ccc(-n2cncn2)cc1)c1cccc2nsnc12	29433088	XLEZSSZYLKULHL-UHFFFAOYSA-N	358.408	2.073	10	10	FECE	
O=C([C@@H]1CCCN(Cc2cc3c(cc2O)CCCC3)C1)N1CCOCC1	179435903	RBIKBPQDNFQIDT-GOSISDBHSA-N	358.482	2.342	10	10	FECE	
COc1ccc(N(C)C[C@@H](O)CN2C(=O)c3ccccc3C2=O)cc1Cl	177072288	CNAUWQOVXCVKLL-CYBMUJFWSA-N	374.824	2.442	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cnn2c1CCCC2	126871915	DOOVDRBJVMZBNT-UHFFFAOYSA-N	354.454	2.328	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)N3CCc4cc(O)c(O)cc4C3)C[C@H]12	2366905556	DDTCRNGSIDJWEM-ARGWCVDVSA-N	374.437	2.286	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)Nc3nccs3)CC2)cc1	299489549	FOSLUXJZGQQYIF-UHFFFAOYSA-N	361.471	2.095	10	10	FECE	
O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C/c1cn(C2CCC2)nn1)CC3	656612599	GWUFKLOZBVTVBH-DHZHZOJOSA-N	363.377	2.356	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)CO[C@@H](C)c3nccn3C)C2)cc1	819589074	CCDIWDIZCFFZCP-JKSUJKDBSA-N	372.469	2.149	10	10	FECE	
CC[C@H](COCC1CC1)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	828497582	ZPFWWKHASULVED-GOSISDBHSA-N	371.481	2.000	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)N1Cc2ccccc2C1=O	907274994	UKFKCQVQLBRCAF-CHWSQXEVSA-N	354.406	2.190	10	10	FECE	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cn(C)c(O)n1	834518626	QVPHTFBRNPOWLN-UHFFFAOYSA-N	374.441	2.128	10	10	FECE	
C[C@@H](CCCN)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	841867748	XBUIKCIPEKMBTE-KRWDZBQOSA-N	373.545	2.145	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(C)(C)NC(=O)COC(C)(C)C)cc1F	844356983	KMVPRQUYKVZOMA-UHFFFAOYSA-N	367.465	2.218	10	10	FECE	
CC[C@H](C[C@](C)(O)CC)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	925055965	QVGACJXNDAWOKK-IEBWSBKVSA-N	368.543	2.341	10	10	FECE	
Nc1ccc(NC(=O)C(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)cc1	841127966	RNWWTKDGYFZHJI-AWEZNQCLSA-N	367.453	2.146	10	10	FECE	
COCCN1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C(C)(C)C1	846102254	KAHQWPDAHSRXMS-UHFFFAOYSA-N	365.493	2.205	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)C2)cc1	855233068	WHQGABUCLMWXNG-IAGOWNOFSA-N	371.481	2.039	10	10	FECE	
CON1CCN(C(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)CC1	854855935	LERFXBJXFCLJCE-UHFFFAOYSA-N	370.497	2.113	10	10	FECE	
Nc1cc(NCc2ccc(N3CCC(O)CC3)cc2)cc(CO)c1[N+](=O)[O-]	853955711	VNMGHSNYENQTLM-UHFFFAOYSA-N	372.425	2.243	10	10	FECE	
OC1(C2(CNCc3ccc(N4CCOCC4)c(F)c3)CC2)CCOCC1	922597190	UDBUDTDJSHOHLK-UHFFFAOYSA-N	364.461	2.074	10	10	FECE	
COC[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)C1CCOCC1	852467319	CAVCHPRJJKRNBW-GOSISDBHSA-N	361.486	2.310	10	10	FECE	
COC(=O)C[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1	852138894	VOJWULWSMLBDSV-KRWDZBQOSA-N	357.454	2.451	10	10	FECE	
Oc1cc(OCc2ccccc2)ccc1CN1CCN2CCOC[C@H]2C1	757928132	NPYULDHERILIKV-LJQANCHMSA-N	354.450	2.488	10	10	FECE	
CCC(CC)N1C[C@@H](C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1=O	855231862	MXRWBZUZFICVEC-JKSUJKDBSA-N	373.497	2.427	10	10	FECE	
C[C@H](NC(=O)N1CC[C@@H]2COC[C@@H]2C1)c1ccc(N2CCOCC2)cc1	852012555	LXRDXVGHCYQBOH-JQHSSLGASA-N	359.470	2.262	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)Nc3cc(C)ccn3)CC2)cc1	752807268	ARYSHFLGYRLKQB-UHFFFAOYSA-N	369.469	2.342	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CCc3nnc(C(F)F)o3)C2)cc1	869229019	ROHPZFUIPYBUBB-LLVKDONJSA-N	366.368	2.344	10	10	FECE	
CN(C)c1ccc(CNC(=O)NCc2cnc(Br)cn2)cc1	866053291	OFTRGVRHOCNWRI-UHFFFAOYSA-N	364.247	2.305	10	10	FECE	
CN1CCN(c2ccc(CN3CCN(c4cccc(O)c4)CC3)cc2)CC1	775645114	VTUMFVAYRVZGIU-UHFFFAOYSA-N	366.509	2.466	10	10	FECE	
CC[C@@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(=O)O	780599528	MGMFAQSYYAKDCT-SMDDNHRTSA-N	371.384	2.419	10	10	FECE	
COc1c(NC(=O)NCc2ccc(N3CC=CC3)cc2)cccc1C(N)=O	782706605	MVLGAIGXQIOJPR-UHFFFAOYSA-N	366.421	2.492	10	10	FECE	
Cc1nonc1N=NN(CC(=O)Nc1ccc(F)cc1)c1nonc1C	1084568877	VIMGLLRJJKRDPL-UHFFFAOYSA-N	360.309	2.353	10	10	FECE	
CS(=O)(=O)c1ccccc1CCNC(=O)c1ccc(N=NC(N)=O)cc1	1303418877	XFNFFMDCNRYISQ-UHFFFAOYSA-N	374.422	2.225	10	10	FECE	
O=C(N[C@@H]1C[C@H]1C1CC1)C(=O)N(Cc1ccco1)Cc1ccccc1O	1324403260	QBCZTITWDCJQSO-DLBZAZTESA-N	354.406	2.429	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@@H]2C1	2118160045	MWLSPWULIDQSFA-KBPBESRZSA-N	362.426	2.427	10	10	FECE	
C[C@H](C(=O)N1CCC[C@H](N=[N+]=[N-])C1)N1CCN(C(=O)OC(C)(C)C)CC1	2124510826	BEHOLEKATHNMJH-KGLIPLIRSA-N	366.466	2.229	10	10	FECE	
C[C@@H]([C@@H](N)c1ccc2c(c1)CCN2C)N1CC(NC(=O)OC(C)(C)C)C1	2131754773	NSRDLBTXGQWKAG-SCLBCKFNSA-N	360.502	2.276	10	10	FECE	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@H]1Cc2cccnc2C1	1347349444	FADPFGFWANTELP-HNNXBMFYSA-N	373.403	2.228	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1	1449546898	YRKYLKOGERPXIU-OAHLLOKOSA-N	371.311	2.389	10	10	FECE	
CCOC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1	1519265642	JEERRBMVEKXOHJ-AWEZNQCLSA-N	355.435	2.039	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)NCCN(C)CCOCCO)c1C	1455188367	COPXFCYWRUBCFY-UHFFFAOYSA-N	373.497	2.073	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)NCCCc2nnnn2C)c1C	1606829201	PDCYFTIEBRSKKO-UHFFFAOYSA-N	352.442	2.289	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1Cc2cc(F)ccc2NC1=O	1466790060	AZZNONGNUOTASD-HZMBPMFUSA-N	358.369	2.095	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(c2nnc(O)o2)CC1	1467971189	MDMWCLZEQLLJBY-UHFFFAOYSA-N	361.379	2.421	10	10	FECE	
COC(=O)CN1C(=S)N(C)C(=O)/C1=C\c1ccc(N2CCCC2)cc1C	1105920	JCWOKPRHSBFYBG-LFIBNONCSA-N	373.478	2.168	10	10	FECE	
C[C@@H]1C[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1O	1612698136	CZISDNRBOBIOEM-VHDGCEQUSA-N	355.442	2.227	10	10	FECE	
CCN(CC)c1ccc(Cn2c(C)nnc2N2CC(=O)N(C)[C@@H](C)C2)cc1	1710025136	POOBLPQBTRBNLZ-HNNXBMFYSA-N	370.501	2.148	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)NCc1cc(O)ccc1O	1558175621	YDMUHZUHOREJGW-AWEZNQCLSA-N	350.415	2.407	10	10	FECE	
CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)c1cc2cc(O)c(O)cc2s1	1556576749	ZNQIQDSGOBJGKS-ZUZCIYMTSA-N	353.440	2.200	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)NCc1ccc(O)c(O)c1	1631438430	FKYWTJRHMXBDRU-CYBMUJFWSA-N	350.415	2.407	10	10	FECE	
O=C(CN1CCc2ccccc2C1=O)NCc1ccc2cccnc2c1O	1570533762	PKLKGMWTAPSYQJ-UHFFFAOYSA-N	361.401	2.255	10	10	FECE	
COCC(=O)N1CCCc2ccc(NC(=O)Cc3ccc(O)c(O)c3)cc21	1647940644	BBARJSNVHPDJPZ-UHFFFAOYSA-N	370.405	2.205	10	10	FECE	
O=C(NCC[C@@H]1CN(Cc2ccccc2)CCO1)c1cccc(O)c1O	311974439	BVMXXFHWOMOUPO-MRXNPFEDSA-N	356.422	2.119	10	10	FECE	
NC1(CC(=O)NCc2ccccc2O)CCN(Cc2ccccc2)CC1	686820308	BEGUPHOLTFADDH-UHFFFAOYSA-N	353.466	2.392	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@]2(C(=O)C(=O)C[C@H]3C[C@H](N)C3)C[C@@H]2C1	2049784309	JOCDSOYHOMTQOB-QGDIXAPHSA-N	350.459	2.289	10	10	FECE	
CN1CCCc2cc([C@H](N)[C@@H](O)[C@@H]3CCN3C(=O)OC(C)(C)C)ccc21	2106944179	LDHLEMMOINBCEY-BZSNNMDCSA-N	361.486	2.439	10	10	FECE	
COc1ccc(Br)c(CN2CC[C@H](N)C(F)(F)C2)c1O	2236043450	MLZDGPSZCOOPHX-NSHDSACASA-N	351.191	2.332	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc3c(c2)COCC3)C[C@H]1CO	2226714608	ARQMEPUDCPSCPU-FUHWJXTLSA-N	362.470	2.471	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NC[C@@H](c2cnn(C)c2)N(C)C)cc1	172277705	WPYHANQXWSWKPS-IBGZPJMESA-N	372.517	2.368	10	10	FECE	
C[C@@H](Nc1cnn(CC(=O)NCCO)c1)c1ccc(N2CCCCC2)cc1	181770342	NECXRHDVHUDRTE-MRXNPFEDSA-N	371.485	2.155	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@@H]1CCCCO1	122314904	ZPJYEMFHJIQNKQ-FQEVSTJZSA-N	357.498	2.404	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCN(C(=O)C2CCCCC2)C1	181200236	FUTAIYPYZHWQGJ-DYLHUKMJSA-N	358.438	2.408	10	10	FECE	
O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2ccc3c(c2)OCO3)CC1	243056947	IIDQUFKWTQIYPC-UHFFFAOYSA-N	369.377	2.498	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3CCCC[C@H]3[C@@H]3CNC(=O)C3)ccc21	371227470	CYODWBBNDRAJFT-HKUYNNGSSA-N	370.497	2.269	10	10	FECE	
COC[C@@H]1CCN1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	293260645	XCLYLUYDRMUZBI-LZWOXQAQSA-N	365.449	2.370	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3CCC[C@]4(CCNC4)C3)C2)cc1	818654520	CXGZDPCRUYTAEP-DYESRHJHSA-N	372.513	2.307	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H](O)C[C@H]3COC)ccc21	652781017	LIIUHTIGLDTLRF-DLBZAZTESA-N	360.454	2.126	10	10	FECE	
CN(C(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCN(C2CC2)C1	823554474	UNVNBEZKLYKOJW-IBGZPJMESA-N	372.513	2.026	10	10	FECE	
O=[N+]([O-])c1cc(CNCCc2nnc3n2CCC3)ccc1N1CCCCC1	725845329	WSURWALKQHNXBK-UHFFFAOYSA-N	370.457	2.455	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)c2cn([C@@H]3CCCNC3)nn2)cc1F	829039047	SRZOHWQYLDQQFE-OAHLLOKOSA-N	374.464	2.118	10	10	FECE	
O=C(O)/C=C\c1ccc(N2CCC[C@@H](Cn3ccnn3)C2)c([N+](=O)[O-])c1	844214503	GKBKGTBYAOPBFP-KXQLTZBTSA-N	357.370	2.201	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)NCc2noc(C3CC3)n2)cc1	845080414	HHQFYBCIPQXAGW-UHFFFAOYSA-N	359.430	2.233	10	10	FECE	
CCc1cccc(CN2CCN(c3cc(C)nc4ncnn34)CC2)c1O	848880500	FUWCRNABVKEZBO-UHFFFAOYSA-N	352.442	2.023	10	10	FECE	
O=C(CS(=O)(=O)CCCc1ccccc1)NCc1c(O)cccc1F	928712559	SRUPWNNQDBXKTR-UHFFFAOYSA-N	365.426	2.195	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCC3(CCOCC3)O2)c1	927179638	ZQYQVOLLNLUTHW-HIFRSBDPSA-N	364.442	2.489	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H](NC(C)=O)C3CCCC3)C2)cc1	855230387	VXKSZMRLWYTMEL-LPHOPBHVSA-N	359.470	2.085	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](O)c3ccsc3)C2)cc1	852452925	FNTWLZJKUVOVER-PBHICJAKSA-N	361.467	2.368	10	10	FECE	
CCOC(=O)[C@]1(F)CN(C(=O)/C=C\c2ccc(O)c(O)c2)CC12CCC2	855243093	RGSOQOZRAGSMLJ-SUOMESGTSA-N	363.385	2.395	10	10	FECE	
Cc1cc(C)n([C@@H](C)C(=O)NCc2ccc(N3CCC(O)CC3)cc2)n1	856211042	XNOCYLIXQQAXGX-INIZCTEOSA-N	356.470	2.338	10	10	FECE	
CN(C)c1ccc(CN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C2CC2)cc1	858342548	VVCCFXDMTDPEPP-INIZCTEOSA-N	369.469	2.185	10	10	FECE	
CCC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	855230538	DWXNIQYMAWVZIJ-CVEARBPZSA-N	359.470	2.039	10	10	FECE	
Cn1ncc(C(F)(F)F)c1CN1C(=O)CN(Cc2ccccc2O)C1=O	863521471	JNKKGTHOXLOCRG-UHFFFAOYSA-N	368.315	2.109	10	10	FECE	
CN(C)c1ccc(CNS(=O)(=O)N=[S@](C)(=O)c2ccccc2)cc1	866425041	OCTWMDVZKCNFLV-HSZRJFAPSA-N	367.496	2.244	10	10	FECE	
CCN(CC)c1ccc(CN(C)S(=O)(=O)N=[S@](C)(=O)CC)cc1	866452669	LYPYXOMOFNZASW-JOCHJYFZSA-N	361.533	2.327	10	10	FECE	
CC(C)(C)[C@@H](O)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	769163563	BCXFMZYLNUIVKL-IBGZPJMESA-N	359.514	2.242	10	10	FECE	
COc1ccc(CN[C@H](CC(=O)O)C2CCOCC2)cc1Cn1cccn1	1348807255	LLNBXRCEYBJLPI-GOSISDBHSA-N	373.453	2.300	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)NCc2ccccc2O)C1	860235398	YGGJUVXSSCLJIL-IFXJQAMLSA-N	362.426	2.034	10	10	FECE	
CN[C@H](C)c1ccc(N2CCS(=O)(=O)[C@@H](C)C2)c(Br)c1	707162275	IXBDEMHOIQKOOH-WDEREUQCSA-N	361.305	2.353	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C(=O)NCc3cccc(O)c3O)[C@@H]2C1	1153797599	COKUJUDEJDSYFX-GUTXKFCHSA-N	362.426	2.217	10	10	FECE	
COc1cccc(CNC(=O)c2cnn(Cc3ccccc3)c2N)c1O	1150542525	BJCJRHXLBKGYTP-UHFFFAOYSA-N	352.394	2.158	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1c[nH]nc1-c1ccc2c(c1)OCCO2	1153879157	HIKFQFRXORDBBK-UHFFFAOYSA-N	367.361	2.189	10	10	FECE	
Cc1ccc(O)c(CNC(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)c1	1301046857	NDGJEUYUXFSALS-UHFFFAOYSA-N	367.365	2.179	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc3c(c2)CCO3)[C@H](CO)C1	2116266359	BVFWOQFCJAKKJD-DLBZAZTESA-N	362.470	2.329	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2124516078	CORBXRFNPZWGHO-BFHYXJOUSA-N	367.450	2.417	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2COC[C@@]2(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C1	2124540261	FMZCJDYVCTTZFI-XNJGSVPQSA-N	365.434	2.171	10	10	FECE	
COC(=O)c1c(CNC2CCC(C(N)=O)CC2)c2cc(F)ccc2n1C	1338249780	FPIMZRYPGQORPM-UHFFFAOYSA-N	361.417	2.238	10	10	FECE	
Nc1ccc(CS(=O)(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1	2132364591	MXQULQHHBCMOHC-ICSRJNTNSA-N	371.506	2.305	10	10	FECE	
CC[C@H](C)[C@H](OC)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1	1287485800	YOWGMFKJSRFINX-KSSFIOAISA-N	350.459	2.414	10	10	FECE	
CN(CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)Cc1ncc[nH]1	1459887145	RELPZLVMBDKRQD-UHFFFAOYSA-N	374.400	2.256	10	10	FECE	
CCOc1ccc(N(CC(=O)N=[S@@](C)(=O)N(C)C)CC2CC2)cc1	1460631750	TXJRSNHFYIJHBJ-XMMPIXPASA-N	353.488	2.403	10	10	FECE	
C[C@@H](NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C1CC1	2136260836	GQZKOTGGWCVOQC-RISCZKNCSA-N	364.442	2.448	10	10	FECE	
CC[C@@H]1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@@H]1C	1617360219	LYKIXLPAQVPDPS-NVXWUHKLSA-N	363.477	2.399	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)N3CCS(=O)(=O)CCO3)c2C)c1	1472397051	QYWGDOJQKAKQIX-UHFFFAOYSA-N	362.451	2.205	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)N[C@H]2CCC3(C2)OCCO3)cc1	1478316805	CGRLVOBMMRHCRO-HNNXBMFYSA-N	363.458	2.068	10	10	FECE	
CCO[C@@H]1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)[C@@H]1Oc1ccccc1	1625824027	UYRVCQXWDFSHTN-CVAIRZPRSA-N	357.406	2.382	10	10	FECE	
CCOc1ccc(N2C[C@@H](C(=O)NCc3cc(O)ccc3O)CC2=O)cc1	1637122679	MWJLEYFDOPUNQU-AWEZNQCLSA-N	370.405	2.166	10	10	FECE	
O=C(c1cc2n(n1)CCC[C@@H]2O)N(Cc1ccccc1O)C[C@H]1CCCO1	1636950635	FIJJNKZJYNLZIP-BEFAXECRSA-N	371.437	2.237	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)Cc2ccc(O)c(O)c2)C1	1639054128	XWJVWEXLTFRBOK-UONOGXRCSA-N	364.442	2.450	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(CN(C)C)o1	1630486695	OKHGEROSGAGMOC-UHFFFAOYSA-N	360.410	2.252	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](CO)c2ncc[nH]2)CCCC1	1652792100	VPNVREIEBDLULA-INIZCTEOSA-N	368.437	2.102	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])N(C)C)cc1	1653421999	YXWJRJPDUXHDPB-KRWDZBQOSA-N	371.441	2.276	10	10	FECE	
CO[C@]1(C(=O)NCc2cccc(C)c2O)CCN(C(=O)OC(C)(C)C)C1	2139757703	LALUPACKSWRNOQ-LJQANCHMSA-N	364.442	2.343	10	10	FECE	
O=C(CC[C@@H]1CCC(=O)N1)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866201821	MYPLOJYCSKLTPF-LBPRGKRZSA-N	362.385	2.459	10	10	FECE	
COc1ccc(N2CCN(C(=O)CCCC(=O)N3CCCC3)CC2)cc1	1866380648	KAVXXIZABBJWGC-UHFFFAOYSA-N	359.470	2.137	10	10	FECE	
COc1ccc([C@H](C)NCC2(NC(=O)OC(C)(C)C)COC2)c(O)c1	2034002992	ACOBFGNENYETDK-LBPRGKRZSA-N	352.431	2.345	10	10	FECE	
CO[C@H]1C[C@H](C(=O)N(C)Cc2ccccc2O)N(C(=O)OC(C)(C)C)C1	372777036	SOLOKVCHRVTSNH-LSDHHAIUSA-N	364.442	2.375	10	10	FECE	
CC(C)(COCc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1	390027802	VAYHXAGWDUYHQP-INIZCTEOSA-N	358.438	2.079	10	10	FECE	
Nc1c(C(=O)NC2CC2)nn(Cc2cc(F)ccc2O)c1C(F)(F)F	2079234423	WEDHDXWJZDONEH-UHFFFAOYSA-N	358.295	2.269	10	10	FECE	
CN1CCc2cc([C@H](CN)N3C[C@H]4C[C@]4(NC(=O)OC(C)(C)C)C3)ccc21	2194828529	BHWFQFVUJDVPHN-MMOPVJDHSA-N	372.513	2.278	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(Cc2cc(N)ccc2O)CCO1	2044613969	HSKSRDNOFYGUMS-MLGOLLRUSA-N	351.447	2.088	10	10	FECE	
C[C@H](C[S@@](C)(=O)=NC(=O)c1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2054418622	VEBAMUKDAODXKE-REFGNXHDSA-N	372.443	2.249	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCC(N=[N+]=[N-])CC2)C1	2060632503	BSLRJLVHXCTYMO-MRXNPFEDSA-N	353.423	2.050	10	10	FECE	
CN(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)c1cc(O)c(O)c(O)c1	2068628124	KPILFICEBIEKQH-UHFFFAOYSA-N	354.403	2.179	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CC[C@@H](O)[C@H](F)C3)ccc(N)c2C1	2088319473	AICOAABNCDREIK-RHSMWYFYSA-N	365.449	2.471	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(CNCc2cc3c(cc2O)OCO3)C1	2092528348	DFKWTQHVAKFPLK-ORAYPTAESA-N	362.426	2.468	10	10	FECE	
COc1ccc(OC)c(C=C2SC(=S)N([C@@H](C)C(=O)O)C2=O)c1	2293031194	ISEDECUOEPIKHD-QMMMGPOBSA-N	353.421	2.378	10	10	FECE	
CC(=O)NC(C)(C)c1noc(C=Cc2ccc(N3CCOCC3)cc2)n1	2297567675	JHYXVPOAJTUVNM-UHFFFAOYSA-N	356.426	2.448	10	10	FECE	
O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)C=Cc1ccc(O)c(O)c1	2307986602	LBYMMQIPRCSLHC-HNNXBMFYSA-N	356.378	2.011	10	10	FECE	
COC[C@H](C)n1ccc(=NC(=O)C=Cc2ccc(N3CCOCC3)cc2)[nH]1	2310247252	UOUMHXJTCCFQKA-INIZCTEOSA-N	370.453	2.001	10	10	FECE	
O=C(O)Cc1nc2c(O)cccn2c1N=Nc1ccc(O)c(C(=O)O)c1	2320774288	NRNAQAMERUYCGW-UHFFFAOYSA-N	356.294	2.486	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)N3CCC[C@@H](N=[N+]=[N-])C3)CO[C@H]1C2	2334182825	COBHLXSPUZIEEB-KOFHJDLBSA-N	365.434	2.360	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCN(c2cccnn2)CC1	171190132	HXHBXNNMDWFWMS-UHFFFAOYSA-N	366.469	2.109	10	10	FECE	
CC(C)(C)NC(=O)CNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O	175279024	WJTQSWTXTYJADG-UHFFFAOYSA-N	364.401	2.107	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)cc1	178847509	UEOLBQUEUVIIDS-OTWHNJEPSA-N	371.481	2.484	10	10	FECE	
NC(=O)Cc1ccc(NC(=O)NCCCSc2nccs2)cc1	172042543	XCHIDPPVKRKXHI-UHFFFAOYSA-N	350.469	2.475	10	10	FECE	
Cc1c(/C=C/C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cnn1C	125565346	BWROHADEWIFBFQ-GQCTYLIASA-N	372.444	2.158	10	10	FECE	
NC(=O)c1ccccc1NC1=NC(=O)/C(=C2/C(=O)Nc3ccccc32)S1	39869880	ZVHCZQRXYSNUCG-YPKPFQOOSA-N	364.386	2.190	10	10	FECE	
CC[C@@H](c1cc(Br)ccc1O)N1CCN(CC(=O)O)CC1	86730730	KBHZJTCMPFCWTH-ZDUSSCGKSA-N	357.248	2.308	10	10	FECE	
O=C(N[C@H]1CCC[C@H]1O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	245493981	MQBBRVDHMXHASA-UHOFOFEASA-N	369.412	2.469	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1C[C@@H]2OCCC[C@H]21	251934877	UFBBHCFNUSPBKR-LESCRADOSA-N	363.433	2.029	10	10	FECE	
COC(=O)[C@H](C)CN(C(=O)/C=C\c1ccc(N2CCOCC2)cc1)C1CC1	255856076	XQWQLDRDEYPRLR-MGDKSHQASA-N	372.465	2.337	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN(C)C2CCN(c3cnccn3)CC2)c1O	369494481	QTKXHZIUDWSTSY-UHFFFAOYSA-N	373.413	2.200	10	10	FECE	
Cc1cc(Cl)cc(CN2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1O	289570210	JLXYLMKHJGRLSH-GUYCJALGSA-N	351.834	2.307	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O	808508036	OXFAKSWNBLYRGW-JTQLQIEISA-N	358.177	2.048	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@H](c2ccccn2)C1	807098488	WTZORFHAIHWMQT-KRWDZBQOSA-N	366.465	2.088	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@@H](C)C3CCCC3)CC2)cc1	804316128	YPGSGMLDUUPESN-HNNXBMFYSA-N	373.497	2.475	10	10	FECE	
COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1ccc2ccccc2c1O	816520896	ARZKPYBJAVYRGC-TVFCKZIOSA-N	369.417	2.470	10	10	FECE	
CN(C)CCC[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CCO1	827857202	YSDPZNJLTCZJJT-GOSISDBHSA-N	365.493	2.205	10	10	FECE	
COc1cccc(CNC(=O)C(=O)Nc2cccc([C@@H](C)OC)c2)c1O	737285583	JDQNORSZQXBXQY-GFCCVEGCSA-N	358.394	2.363	10	10	FECE	
Cc1cc(CC(=O)NCCN2CCCOCC2)c(C)n1-c1ccccc1	832709594	YPVNTIYLQDOUFI-UHFFFAOYSA-N	355.482	2.475	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)c1cnc(C2CC2)nc1O	908170971	UWUJCVZCNWBQAN-UHFFFAOYSA-N	364.199	2.458	10	10	FECE	
Cn1nnc(C(=O)NCCCSc2nccs2)c1C(F)(F)F	906672440	ZOQUNVGKPMOQNT-UHFFFAOYSA-N	351.379	2.203	10	10	FECE	
Cc1nc([C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)c2ccccc2)n[nH]1	588408263	ZIFUOBCBHDYTMJ-IQBZNYMQSA-N	350.378	2.443	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCC[C@H](CNS(C)(=O)=O)C2)cc1	835025421	UOQUFSVORIPAHE-UKINESCASA-N	351.516	2.027	10	10	FECE	
C[C@H](NCC[C@]1(O)CCOC1)c1ccc(N2CCOCC2)cc1Cl	846193442	IUKHTPMDUCZFRC-KSSFIOAISA-N	354.878	2.369	10	10	FECE	
CC[C@H](C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@H](C)O	842247456	PDHDFEXHEPDJPG-JXFKEZNVSA-N	359.514	2.242	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CC[C@H](C2CC2)N1	846672378	GJRCWWHHFUKOPY-UXHICEINSA-N	357.498	2.042	10	10	FECE	
O=S1(=O)CCN(c2ccc(CNC3C[C@@H]4CC[C@H](C3)S4)cc2)CC1	925054364	FHBHZHMTYOBNOW-ZNXRZULTSA-N	366.552	2.438	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2C[C@H](N)CCc3ccccc32)cc1	852755177	GESGCBGPNSFWAH-GOSISDBHSA-N	352.482	2.149	10	10	FECE	
COc1ccc(N2CCN(CCN[C@@H]3CCOC[C@@H]3C(C)C)CC2)cc1	924832186	PSOUETMQTNOUSZ-NHCUHLMSSA-N	361.530	2.468	10	10	FECE	
COC[C@]1(C)CN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CCO1	858543434	ITZCNIRXZYZMKE-JXFKEZNVSA-N	363.502	2.439	10	10	FECE	
CN(Cc1ccccc1O)C(=O)NCc1cn(C)nc1Br	924555700	SFAVOYXCMNTBOK-UHFFFAOYSA-N	353.220	2.230	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc(N4CCC4)nc3)C2)cc1	855224586	MOKJPALYMOALQB-INIZCTEOSA-N	352.438	2.309	10	10	FECE	
Cc1cc(CC(=O)OCC(=O)N2CCCC2=O)c(C)n1-c1ccccc1	853933608	GXBSDEPYXVWCEF-UHFFFAOYSA-N	354.406	2.329	10	10	FECE	
CNc1cnc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cn1	858625973	IMHQQJUPUMJTEP-BETUJISGSA-N	373.432	2.201	10	10	FECE	
COc1cc(OC)c(S(=O)(=O)NCc2c(O)cccc2F)c(OC)c1	921452501	QZHNOHLNUVDPGU-UHFFFAOYSA-N	371.386	2.036	10	10	FECE	
C[C@H](NC(=O)N1CCC[C@@H]2C[C@@]21C(=O)O)c1ccc(N2CCOCC2)cc1	929004025	DAXUXJACHAVKDM-NBQZKYEYSA-N	373.453	2.233	10	10	FECE	
CCOc1ccc(OCC)c(NC(=S)NNc2nnc(C)n2C)c1	863205130	DPUAXQWXWPIBNI-UHFFFAOYSA-N	350.448	2.234	10	10	FECE	
C[C@@]1(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCCS1	862278400	CBUFPICTXYDRRL-KRWDZBQOSA-N	354.541	2.297	10	10	FECE	
COCc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1OC	861675085	GADOZRNUAUSZPX-UHFFFAOYSA-N	371.437	2.163	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)COCc1ccnc(O)c1	862001771	CTMUBGHXLQNMOZ-HNNXBMFYSA-N	357.454	2.426	10	10	FECE	
CCO[C@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)C1CCOCC1	864470825	QUUYYLWIGZZFBD-IBGZPJMESA-N	362.470	2.176	10	10	FECE	
O=C1/C(=C\c2cn(C[C@H]3CCOC3)nn2)SC(=S)N1c1cccnc1	865215229	LWBSZSQTSPGQLD-JBARUQGQSA-N	373.463	2.115	10	10	FECE	
CN(C)c1ccc(CNC(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)cc1	783656944	PSLDPIGTGNNDSN-YMPPPQHUSA-N	367.493	2.061	10	10	FECE	
Nc1ccc(OCCNc2ncncc2I)cc1	90781682	MZWUXRRWQOBIIV-UHFFFAOYSA-N	356.167	2.154	10	10	FECE	
COC(=O)[C@H]1[C@H](CNCc2cc(Br)ccc2O)C1(F)F	894755041	MGYGUBBLMYOHJG-GXSJLCMTSA-N	350.159	2.299	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H](N2CCOCC2)C1	897874994	BPCGTANIUYGYKL-ZDUSSCGKSA-N	362.451	2.249	10	10	FECE	
C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1ccc(N=NC(N)=O)cc1	1139642382	QVYLFYOZMCFGDE-ZDUSSCGKSA-N	359.430	2.174	10	10	FECE	
O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1	2132404485	SFNOONYULJBXCQ-GOEBONIOSA-N	354.406	2.150	10	10	FECE	
Cc1nc(CCn2c(C(C)C)nnc2N(C)Cc2ccccc2O)n[nH]1	1511563594	DYZKCFGAQJTYQQ-UHFFFAOYSA-N	355.446	2.413	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CC(=O)NCc1ccc(O)cc1O)C(F)F	1626850438	VOAIZPMRWWCHTQ-LLVKDONJSA-N	360.357	2.263	10	10	FECE	
Cc1cc(CC(=O)NCCCn2cccnc2=O)c(C)n1-c1ccccc1	1556503909	BYUBLEPQNUNAGN-UHFFFAOYSA-N	364.449	2.400	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNCc3ccc(O)c(O)c3O)[C@H]2C1	2138791441	CGWMOYYSDNGVBM-RDBSUJKOSA-N	364.442	2.396	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)c1O	2139757709	LDTGYQJWDBLOKH-CABCVRRESA-N	364.442	2.247	10	10	FECE	
CON(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N(C)C)c(F)c1	1698268573	XLDUPRRLIPXZPV-AWEZNQCLSA-N	363.437	2.423	10	10	FECE	
C[C@]1(NCc2cc(Cl)cc(Br)c2O)CCC(=O)NC1=O	2172846967	RTANOXASEOILEN-ZDUSSCGKSA-N	361.623	2.093	10	10	FECE	
CC(C)SC[C@@H](NC(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]1C[C@H](N)C1	1906906180	MPSMHNLLZPYYDV-JHJVBQTASA-N	358.504	2.287	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)C2	2049780411	JDKJWFATHNGBNW-YYFQZIEXSA-N	350.459	2.145	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@H](CN=[N+]=[N-])C1)[C@H]1CCCO1	2060638002	QUQIIFYFEPXMEQ-XQQFMLRXSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)NCCCCN=[N+]=[N-])O2)C1	2084601514	TWJCPNJFBSBIAK-GFCCVEGCSA-N	353.423	2.362	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CCCc3c(N)cccc32)=C[C@@H]1O	2200986411	AYQZJVFJQWREAD-RDJZCZTQSA-N	373.453	2.132	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@]2(C(=O)N3CCC[C@@H](N=[N+]=[N-])C3)CO[C@H]1C2	2266155197	COBHLXSPUZIEEB-XREXNNHRSA-N	365.434	2.360	10	10	FECE	
COc1ccc(Br)c(CN2CC[C@@H](N)C(F)(F)C2)c1O	2236043446	MLZDGPSZCOOPHX-LLVKDONJSA-N	351.191	2.332	10	10	FECE	
COc1ccc(N2C(=O)C(=CNc3cccc(N)c3)C(=O)NC2=S)cc1	2296114365	ZADVNOWIKIHMGP-UHFFFAOYSA-N	368.418	2.021	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)NC[C@H](c1cccs1)N1CCOCC1	2307981914	CXSCVPJPDWNYIL-OAHLLOKOSA-N	374.462	2.362	10	10	FECE	
COc1ccc2c(c1)c(C=C1SC(=S)N(CC(=O)O)C1=O)cn2C	2323688017	HPKYMTAKVCJCOB-UHFFFAOYSA-N	362.432	2.473	10	10	FECE	
CC[C@H](NC(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1)C(=O)O	27533051	WKPJSLLSRMWMPH-SERMCNLOSA-N	364.448	2.111	10	10	FECE	
O=C1Cc2cc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)ccc2N1	62575927	DYQIDRDPLCRRCN-UHFFFAOYSA-N	353.397	2.212	10	10	FECE	
CCN1CCN(c2ccc(CNCc3cc(C#N)n(C)c3)cc2F)CC1	190981973	GJFVEDMJUGALGQ-UHFFFAOYSA-N	355.461	2.468	10	10	FECE	
CC(C)N1C[C@@H](NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)[C@H](C)C1	247462760	UNGYCYURNAFWAC-JWLNDWNSSA-N	357.498	2.381	10	10	FECE	
C[C@H]1CCCN(CCNC(=O)/C=C\c2ccc(N3CCOCC3)cc2)C1	255556336	WSEGHDHTANGVBJ-KKMIYCERSA-N	357.498	2.385	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCO[C@@]3(CCCOC3)C2)c([N+](=O)[O-])c1	376188908	SIHDUEGRXTWJNN-JXTAAOLFSA-N	362.382	2.167	10	10	FECE	
Cc1ccc(CN(C)C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)o1	287992123	ANPKXGSORPTANZ-UHFFFAOYSA-N	353.422	2.239	10	10	FECE	
Cc1ccc(CNC(=O)[C@@H](N)CC(F)(F)F)c(O)c1Br	2380738359	XHGAAPHUMBIROT-QMMMGPOBSA-N	355.154	2.359	10	10	FECE	
Cc1cc(CN(C)C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)no1	297441401	ACALKVRGKWPJFZ-UHFFFAOYSA-N	372.469	2.445	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl	808501570	LPUUENIOUTVPIS-ZDUSSCGKSA-N	372.204	2.299	10	10	FECE	
COCc1cc(NC(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)ncn1	824247440	RAIJTMSBTCWWIY-CQSZACIVSA-N	371.441	2.280	10	10	FECE	
CC1(C)OC[C@@H]2C[C@@]21C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	829264365	PPJGJOZFBCCDMJ-XOBRGWDASA-N	362.445	2.218	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1	834594367	RXMKLYYQPXHCAE-BRWVUGGUSA-N	373.522	2.161	10	10	FECE	
CN1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742803984	RUMLQPSLGYXNSJ-CJNGLKHVSA-N	353.413	2.467	10	10	FECE	
CC(C)(c1cc(O)nc(O)c1)[C@@H](NC(=O)OCc1ccccc1)C(=O)O	1952888128	PPABGXIJRAFHAV-HNNXBMFYSA-N	360.366	2.150	10	10	FECE	
O=C(NCc1cc(NC(=O)C2=COCCC2)ccc1O)C1=COCCC1	923123482	YCGKXJHVCBQZAM-UHFFFAOYSA-N	358.394	2.336	10	10	FECE	
COc1ccc(N2CC[C@@H](Nc3nccc(N4CCOCC4)n3)C2)cc1	853759269	QMOKGQMFBYAFIG-OAHLLOKOSA-N	355.442	2.013	10	10	FECE	
COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1	753519824	BWUIGZAVNWNKJS-UHFFFAOYSA-N	370.314	2.027	10	10	FECE	
CN(C)c1ccc(CNS(=O)(=O)c2ccc3c(c2)N(C)CC3)cc1F	753370851	LTPFFNBUXPYKQA-UHFFFAOYSA-N	363.458	2.363	10	10	FECE	
C[C@@]12CNC[C@]1(C)CN(C(=O)NCc1ccc(N3CCSCC3)cc1)C2	861559065	MWYIKJYTNQUADP-BGYRXZFFSA-N	374.554	2.381	10	10	FECE	
COc1cc(Cl)cc(CN2CCN(Cc3nccn3C)CC2)c1O	761193542	HMTYXTIPBXPURF-UHFFFAOYSA-N	350.850	2.106	10	10	FECE	
CCOC(=O)[C@H](Cc1ccccn1)NCc1cc(OC)c(OC)cc1O	763479531	KTQIDGRWLHSBPF-HNNXBMFYSA-N	360.410	2.068	10	10	FECE	
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(O)c(O)c1	778924248	XQHHRNCLOJXOBG-GFCCVEGCSA-N	370.471	2.360	10	10	FECE	
COCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1O	778914487	OLWAQLQONXXISG-KRWDZBQOSA-N	372.421	2.340	10	10	FECE	
CC1(C)CO[C@@H](CCNC(=O)C(=O)NCCCSc2nccs2)C1	897731350	ZNBBHBVJGVEWJG-LBPRGKRZSA-N	371.528	2.063	10	10	FECE	
COC(=O)[C@@H](C[C@H]1CCCO1)NCc1cc(Br)ccc1O	895863100	KVRSSCQOWPSPMG-CHWSQXEVSA-N	358.232	2.355	10	10	FECE	
CSCC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1nnc2ccccn12	1136009575	XFJMWJKBSRLCJG-CYBMUJFWSA-N	372.450	2.294	10	10	FECE	
COc1ccc(CNC(=O)CCC(=O)N2CCOc3ccccc32)c(O)c1	794379787	WBCAJXXNWIVQLS-UHFFFAOYSA-N	370.405	2.223	10	10	FECE	
C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1O	1171723631	VENBTKAMZPRPPL-YPMHNXCESA-N	373.365	2.375	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C	2124159186	BVRYGYUDFGCWIR-GZBFAFLISA-N	364.442	2.282	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2124541309	QZJQOVSIJJYTTI-HZSPNIEDSA-N	367.450	2.465	10	10	FECE	
Nc1ccc(CS(=O)(=O)N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)cc1	2131205070	AXYNXOIOSGKXIM-ICSRJNTNSA-N	371.506	2.305	10	10	FECE	
COc1nsc(C(=O)NCCc2ccc(O)c(O)c2)c1Br	1445939550	SJWQPNCDLDKZSX-UHFFFAOYSA-N	373.228	2.298	10	10	FECE	
O=C(NCCNC(=O)c1cccs1)NCc1cc(Cl)ccc1O	1478318560	GGRBLVCNTXUCNM-UHFFFAOYSA-N	353.831	2.336	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)C3=C4CCCN=C4NN3)cc2)CC1	1616694126	DTJBRCNVRLGNOE-UHFFFAOYSA-N	353.470	2.093	10	10	FECE	
CN(C(=O)CSCC(=O)NCc1c(O)cccc1O)C1CCCCC1	1472064475	YIWNFWALCZZHLU-UHFFFAOYSA-N	366.483	2.238	10	10	FECE	
COc1ccc(CNC[C@@H](C)N(C)C(=O)[C@@H]2C[C@H]2c2cncn2C)cc1C	1714771304	DKVGISDJZKGQFS-KBAYOESNSA-N	370.497	2.477	10	10	FECE	
COc1ccc(CNC(=O)[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c(O)c1	1556354550	MZTOPLUEFSOYAY-ORAYPTAESA-N	362.426	2.274	10	10	FECE	
COC(=O)[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)Cc1ccncc1	1565634006	FMCPFLLIGZCLHN-CQSZACIVSA-N	369.381	2.006	10	10	FECE	
O=C(NCc1ccccc1O)c1cc(Br)ccc1-n1cnnn1	1630363410	NYNBCQDTWBKTJK-UHFFFAOYSA-N	374.198	2.060	10	10	FECE	
C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@]12CCCC[C@H]1C2	1643545462	HJFZMZHOHATOAD-PRXAMGSTSA-N	352.456	2.462	10	10	FECE	
CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2Cc3cccc(O)c3C2)c1	1644088049	CSEDQZHLOIXEBT-UHFFFAOYSA-N	366.826	2.110	10	10	FECE	
CCCS(=O)(=O)Nc1ccccc1C(=O)NCc1c(O)cccc1O	1597568261	DHCDSAINWDDTEW-UHFFFAOYSA-N	364.423	2.180	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)NCc1ccccc1O	1964093554	YNTWATYJDOTBSY-ZBFHGGJFSA-N	364.442	2.280	10	10	FECE	
CN(CCN(C)C(=O)c1ccc(O)c(O)c1)C(=O)OCc1ccccc1	1982313963	MZBCSIGQXQPJHP-UHFFFAOYSA-N	358.394	2.438	10	10	FECE	
O=C(NC[C@@]12CN(Cc3ccccc3)C[C@H]1CCO2)c1cccc(O)c1O	2175196530	CVTONKBAVABUKH-IIBYNOLFSA-N	368.433	2.119	10	10	FECE	
CC(C)(CNC(=O)OC(C)(C)C)NC(=O)CCOc1ccc(N)cc1	2044208720	NDBGSCAUCNSBRS-UHFFFAOYSA-N	351.447	2.457	10	10	FECE	
CO[C@H]1C[C@H](C(=O)N2CCC(N=[N+]=[N-])CC2)N(C(=O)OC(C)(C)C)C1	2060615315	NCQZXRIEEHTZPB-QWHCGFSZSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2060636998	FPTITGXXNUPALY-STQMWFEESA-N	353.423	2.171	10	10	FECE	
C[C@@H]1CN([C@H](CN)c2ccc(N(C)C)cc2)CC[C@@H]1NC(=O)C(F)(F)F	2194810904	QWNUZAYNKSGERJ-UHOFOFEASA-N	372.435	2.141	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N1CCC(C2OCCO2)CC1	2297505718	UWWOLPCNDBLYIO-UHFFFAOYSA-N	372.465	2.148	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)C=Cc2ccc(O)c(O)c2)C(=O)N1c1ccccc1	2307987991	WGRZEGJZYWBDMS-CJNGLKHVSA-N	352.390	2.421	10	10	FECE	
CC[C@H](C)N/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	103763949	SNOHFXDQKPFPAI-KWINOFQJSA-N	366.215	2.304	10	10	FECE	
C[C@H]1CC[C@@H](C)CN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	174465077	RIHKCTSUXLFSLG-CVEARBPZSA-N	363.477	2.399	10	10	FECE	
CCC1(CC)CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[S@]1=O	302214622	GSKFMEUYLUWLCI-RUZDIDTESA-N	367.427	2.053	10	10	FECE	
C[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCOCC1	120841986	AFHANEAXTSERFT-CQSZACIVSA-N	350.434	2.341	10	10	FECE	
CCCC(=O)NCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	81203295	LBKYSHSXVQRGNQ-ZDUSSCGKSA-N	369.412	2.289	10	10	FECE	
COc1ccc(CN(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c(O)c1	190317394	CJIRXJDNXWPMPB-NRFANRHFSA-N	356.466	2.470	10	10	FECE	
CCOC(=O)CC[C@@H](C)NC(=O)/C=C\c1ccc(N2CCOCC2)cc1	255518813	OFHHURDAWZMEKY-BSDKJSHOSA-N	360.454	2.384	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CNCc2cccnc2-n2ccnc2)c1O	364617606	LQMIVIXNVPHASB-UHFFFAOYSA-N	355.354	2.180	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2c1cc2c(cc1N)OCC(=O)N2	2163091658	JEEOBBHJJNBODH-NEPJUHHUSA-N	374.441	2.188	10	10	FECE	
C[C@@H](NC(=O)C(=O)NCCCC1CC1)c1ccc(N2CCOCC2)cc1	803308729	IXIBPCGDYDBJOQ-OAHLLOKOSA-N	359.470	2.007	10	10	FECE	
CC(C)[C@@H](C(=O)NCc1cccc(O)c1O)N1Cc2ccccc2C1=O	1347542718	PXUJPBYNSGFJFK-KRWDZBQOSA-N	354.406	2.395	10	10	FECE	
C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCN(C2CCC2)C1	813629800	CELJKVXFUWSAMQ-GFCCVEGCSA-N	360.414	2.236	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCC(n3cc(C(=O)O)nn3)CC2)cc1	901524512	ORTQSLSVNJWDJT-ARJAWSKDSA-N	355.442	2.393	10	10	FECE	
CCOC(=O)[C@H]1CSCN1C(=O)c1cc2cc(O)c(O)cc2s1	907903785	KOXIWIXBEURLSH-SECBINFHSA-N	353.421	2.391	10	10	FECE	
C[C@H]1CN(CC2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)C[C@@H](C)O1	588404281	ISBPJJFBDKOHOF-HSOFZRLZSA-N	374.481	2.459	10	10	FECE	
COC(=O)/C(C)=C\CNC(=O)NCc1ccc(N2CCSCC2)cc1	914200395	HXJBDGJTADYUIN-AUWJEWJLSA-N	363.483	2.158	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2ccc3nnn(C)c3c2)cc1	844856750	UCQSNEBSVOGTBM-UHFFFAOYSA-N	353.426	2.185	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H](O)c1ccccc1OC	911304573	UTJVXVIZOMSOLV-IBGZPJMESA-N	373.405	2.026	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)cs3)C2)C1	926867825	UTKLMWRXKGZMCW-KRWDZBQOSA-N	368.455	2.306	10	10	FECE	
Cc1ccc([C@@H](C)NCC(=O)NCC(=O)N(C)Cc2ccccc2)c(O)c1	926963061	CGZBSJBDECAUJN-MRXNPFEDSA-N	369.465	2.126	10	10	FECE	
CO[C@@H](CNC(=O)NCc1cc(Br)ccc1O)[C@H]1CCOC1	852436696	MDWGAAVCMREGJC-HZMBPMFUSA-N	373.247	2.005	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C(=O)O)C3CCC3)C2)cc1	854236939	ZBHPASCCYWRFFK-YOEHRIQHSA-N	361.442	2.074	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3c(C)nn(C)c3C)C2)cc1	852181450	BFZIZJVTKOJCQO-OAHLLOKOSA-N	357.458	2.124	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)Cc3cc(C)[nH]n3)C2)cc1	852220777	XMDYDVKWGYXDKQ-UKRRQHHQSA-N	357.458	2.236	10	10	FECE	
Cn1ccnc1[C@H](NCc1ccc(N2CCOCC2)cc1)C(C)(C)CO	930902469	STOLCKSUWQNVIP-SFHVURJKSA-N	358.486	2.106	10	10	FECE	
CCNC(=O)COC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	769664781	JEPCDYMWVFOFAN-UHFFFAOYSA-N	357.454	2.087	10	10	FECE	
COc1cnc(F)c(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	861810441	MNJJUEHZUVXGGN-NSHDSACASA-N	360.389	2.111	10	10	FECE	
COc1ccc(CNC(=O)NCCc2cn(C)c3ncccc23)c(O)c1	869123357	AEWUNVPSEGJVCK-UHFFFAOYSA-N	354.410	2.329	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)C[C@H]3CCOC[C@@H]3OC)CC2)cc1	1117755667	XEMTTZZMWAYAEM-APWZRJJASA-N	362.470	2.176	10	10	FECE	
CSc1cccnc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1	881854982	NLAKAFCVHMBPFJ-UHFFFAOYSA-N	356.495	2.485	10	10	FECE	
CN(C[C@H]1CCCO1)c1nnc(-c2sccc2O)n1C[C@H]1CCOC1	1123239697	OLPZSFJGDFGRKI-CHWSQXEVSA-N	364.471	2.364	10	10	FECE	
COc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCCC2)c(O)c1	794389744	CUHCFJSKXDWSLK-IAGOWNOFSA-N	360.454	2.446	10	10	FECE	
Cc1ccc(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)c(O)c1O	799086567	CXXYPGACFJEUGV-CJNGLKHVSA-N	354.406	2.326	10	10	FECE	
C[C@@H](N)c1ccc(N(C)C2CCS(=O)(=O)CC2)cc1Br	694173563	GSVCLFBXJPJGPY-SNVBAGLBSA-N	361.305	2.482	10	10	FECE	
O=C(NCc1cc(Cl)ccc1O)c1c[nH]n2c1nc(=O)c1ccccc12	1165497786	IEVPHGZHVNWWMA-UHFFFAOYSA-N	368.780	2.465	10	10	FECE	
C[C@H](CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@@H]1CCCO1	1350450173	XTMOSPSTBAVIGH-BEFAXECRSA-N	373.497	2.210	10	10	FECE	
CC(C)(C)OC(=O)NCCN1CCC(NCc2ccc(O)cc2O)CC1	1918404997	JFWBNTWKXICTBI-UHFFFAOYSA-N	365.474	2.177	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3N)CC2)cc1	1622438525	XEKYCVZQVNMBGF-UHFFFAOYSA-N	356.382	2.148	10	10	FECE	
O=C(COc1cccc(NC(=O)C2CC2)c1)NCc1cc(O)ccc1O	1558174334	JJPQWXZWHLGMQU-UHFFFAOYSA-N	356.378	2.142	10	10	FECE	
O=C(c1cc2n(n1)CCC[C@H]2O)N(Cc1ccccc1O)C[C@@H]1CCCO1	1636950637	FIJJNKZJYNLZIP-HNAYVOBHSA-N	371.437	2.237	10	10	FECE	
Cc1cccc2ncc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)n12	1643609085	DENAYAPFDAFCOF-UHFFFAOYSA-N	363.465	2.325	10	10	FECE	
CN1C[C@@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)CCC1=O	162993617	XOVIDFKIBGCBBI-HNNXBMFYSA-N	357.410	2.318	10	10	FECE	
CN(C)c1ccc(/C=C(/NC(=O)C(C)(C)C)C(=O)N2CCOCC2)cc1	209362310	QAXWLKKUVVYLDM-SAPNQHFASA-N	359.470	2.115	10	10	FECE	
COc1cc(/C=C2/SC(=S)N(CCCO)C2=O)cc(OC)c1OC	1858588308	YGSWKYRHRYOGOI-UKTHLTGXSA-N	369.464	2.296	10	10	FECE	
CCOC(=O)[C@H]1CCCN(C(=O)CCNCc2cc(Cl)ccc2O)C1	1857864944	OHWLVXVURGLJAT-ZDUSSCGKSA-N	368.861	2.327	10	10	FECE	
CN1CCc2cc([C@H](CN)N3CC(C)(NC(=O)OC(C)(C)C)C3)ccc21	1880570007	BIRWSMHFLXJVOY-KRWDZBQOSA-N	360.502	2.278	10	10	FECE	
COc1ccc(O)c([C@H](C)N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1	2032622196	GPIHOJCCOIOGPW-TUKIKUTGSA-N	352.431	2.344	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NC(=O)c1ccn(-c2ccc(N)cc2)n1	2179364303	ZLLCPIBLAYETFE-BLLLJJGKSA-N	371.441	2.098	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)c1nc(=NCc2ccc3c(c2)CCN3C)[nH][nH]1	2186673214	YHXKUMXKYNMORQ-LBPRGKRZSA-N	372.473	2.417	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1CN=[N+]=[N-])[C@H]1CCCO1	2060637771	OOFQLZLDJOKAPX-YNEHKIRRSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)N1C(=O)c1cc(O)c(O)c(O)c1	2068614121	CCSXPTVUYUSXGJ-QWRGUYRKSA-N	350.371	2.332	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCCN1c1cc2c(cc1N)OCC(=O)N2	2106704737	GKXBZWAGVRGKTI-NSHDSACASA-N	362.430	2.093	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12CO[C@](C(=O)N[C@@H]3CCC[C@@H]3N=[N+]=[N-])(C1)C2	2225791396	CYOOAGZTFNWUJO-AWBCAMRRSA-N	365.434	2.408	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCCC[C@]2(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)C1	2228748059	UNCNNLCTZNQNDU-IGCXYCKISA-N	365.434	2.314	10	10	FECE	
CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)N3CCC[C@H]3CN=[N+]=[N-])(C1)C2	2254795813	KHOFZQWLIZLSKL-UVBJJODRSA-N	351.407	2.114	10	10	FECE	
CSc1ncc(CNS(=O)(=O)c2cc(C(=O)O)cs2)s1	2284543787	JJVPIYHKRCQJOJ-UHFFFAOYSA-N	350.468	2.103	10	10	FECE	
Cn1cccc1C=C1SC(=S)N(NC(=O)c2ccccc2O)C1=O	2296883580	ZTGRUBZUEOVQBX-UHFFFAOYSA-N	359.432	2.277	10	10	FECE	
CCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(C)C1=O	2314414744	KYDNKDLXTDZKMG-UHFFFAOYSA-N	360.464	2.266	10	10	FECE	
COc1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2)c(OC)c1	6247811	NVWJPYPWVYLVDL-UHFFFAOYSA-N	368.480	2.276	10	10	FECE	
O=C1c2ccccc2C(=O)c2c1cccc2C(=O)N1CCN2CCC[C@H]2C1	175329579	KTZPQLGTPCWXHT-AWEZNQCLSA-N	360.413	2.382	10	10	FECE	
COCCOCCS(=O)(=O)Nc1cc(N2CCCCC2)ccc1OC	62274186	PEXSFGPINGQWPJ-UHFFFAOYSA-N	372.487	2.090	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)c1nc(=NC(=O)Nc2ccc(N)cc2)[nH][nH]1	2130120132	ZOTSGPJTWRRYFS-SECBINFHSA-N	361.406	2.039	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)C(=O)N(C)C[C@H]3CCCO3)cc2)CC1	288279937	UYYTWASIEHECHN-LJQANCHMSA-N	373.497	2.177	10	10	FECE	
C[C@H](NC(=O)C(=O)N1CCC[C@H](OC(F)F)C1)c1ccc(N(C)C)cc1	807674211	IFVHKMCFEWOEIA-WFASDCNBSA-N	369.412	2.160	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)Cc2nn(C)c(=O)c3ccccc23)c1	728985618	ZDEWPCISLCZGKA-GFCCVEGCSA-N	367.405	2.068	10	10	FECE	
COC[C@H](C)n1ccc(=NC(=O)/C=C\c2ccc(N3CCOCC3)cc2)[nH]1	588527744	UOUMHXJTCCFQKA-SBSDFTTDSA-N	370.453	2.001	10	10	FECE	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CC[C@H]1C(=O)O	911368793	GWPVAXQHGKCQOB-SOUVJXGZSA-N	366.845	2.237	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NCc2ncc3c(n2)CCOC3)cc1	844898429	IKZUNSBWORMTLJ-UHFFFAOYSA-N	369.469	2.395	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@@H]3C[C@H](C)n4ncnc43)CC2)cc1	852477641	VBGCLSFDQWUPJH-WMLDXEAASA-N	370.457	2.214	10	10	FECE	
COCCOc1ccc(S(=O)(=O)NCc2c(O)cccc2F)cc1	921452733	XSSZBTHSFKHNLV-UHFFFAOYSA-N	355.387	2.035	10	10	FECE	
C[C@H](NC(=O)NCC(O)(C1CC1)C1CC1)c1ccc(N2CCOCC2)cc1	853487839	YQFDRUFWQZZYIZ-HNNXBMFYSA-N	373.497	2.435	10	10	FECE	
CO[C@@H]1CC[C@H](C)N(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	868117324	RXPCSLKCSRBRSE-GOEBONIOSA-N	365.449	2.371	10	10	FECE	
COC(=O)[C@H](C[C@@H]1CCCOC1)NCc1cc(Cl)cc([N+](=O)[O-])c1O	862516660	WPENEWSLPCWHBQ-GWCFXTLKSA-N	372.805	2.402	10	10	FECE	
C[C@H]1C[C@@H]1c1noc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)n1	866023920	XMISNXOXRMTRMB-LRDDRELGSA-N	356.426	2.084	10	10	FECE	
O=C1N[C@@H](C[C@@H]2CCCOC2)C(=O)N1Cc1ccc(N2CC=CC2)cc1	863506154	ZBDFXRLQAWTAML-WMZOPIPTSA-N	355.438	2.300	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)C(=O)NC2CCC=CCC2)N(C)C)cc1	1119820345	MQUTYJDFHCEDGH-IBGZPJMESA-N	372.513	2.087	10	10	FECE	
CN1CCCc2cc(CNS(=O)(=O)c3cnn(CC4CC4)c3)ccc21	777920324	PVTQHGDQKPHBRS-UHFFFAOYSA-N	360.483	2.154	10	10	FECE	
COc1cc(COCC(=O)NCc2ccc3c(c2)CCCN3C)ccn1	1118905073	DUMJRIXEJXJNBV-UHFFFAOYSA-N	355.438	2.306	10	10	FECE	
COC(=O)c1c(CN2CCC3=C(CCC(=O)N3)C2)c2cc(F)ccc2n1C	895224863	LPOOMZHODTZGPA-UHFFFAOYSA-N	371.412	2.474	10	10	FECE	
C[C@@H](NC(=O)C(=O)NCC1(C2(O)CCC2)CCC1)c1ccc(N(C)C)cc1	897865141	FRYJYDXWVNMAEH-OAHLLOKOSA-N	373.497	2.131	10	10	FECE	
COC(=O)CC1(NCC(=O)N(C)Cc2ccc(N(C)C)cc2)CCCC1	791582086	DQBNSSKZSWPFNO-UHFFFAOYSA-N	361.486	2.177	10	10	FECE	
COc1cc(OC)cc(OCCNC(=O)c2c(F)ccc(O)c2O)c1	1306699234	ROXYSDSSCRKYAJ-UHFFFAOYSA-N	351.330	2.063	10	10	FECE	
COc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cnn1C	1325180254	ZJXOCNKDAAKHHM-QGZVFWFLSA-N	372.469	2.316	10	10	FECE	
CCCN1CC[C@@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1	1253542429	KLFIRHVSPIUZQC-IEBWSBKVSA-N	361.534	2.139	10	10	FECE	
COc1cccc([C@H](C)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)c1O	1349574521	WINNDQQYNBWQKQ-YUNKPMOVSA-N	369.421	2.306	10	10	FECE	
C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cc(O)c(O)c(O)c1	2132409148	CEVMISPWWGTINB-MNOVXSKESA-N	366.414	2.179	10	10	FECE	
CN(C[C@@H](O)COCc1ccccc1)c1cc2c(cc1N)NC(=O)CC2	1916354124	IJZKGBJYKRBXTD-MRXNPFEDSA-N	355.438	2.167	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CCNc3ccccc32)=C[C@@H]1O	2136312593	RNPWURXOUGFDCR-HOCLYGCPSA-N	359.426	2.029	10	10	FECE	
CCOCc1nnc(N(C)Cc2ccccc2O)n1C[C@](C)(O)C1CC1	1616689389	JQEKPIUHBHYOBT-IBGZPJMESA-N	360.458	2.318	10	10	FECE	
C[C@@H]1O[C@H](C)[C@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)[C@@H]1C	1565206295	NNYKKEMKTFDBMK-WCVDCBDPSA-N	362.518	2.466	10	10	FECE	
CS(=O)(=O)c1cc(C(=O)NCc2ccc3cccnc3c2O)ccc1F	1639624576	AXWKRIUOMRIHRS-UHFFFAOYSA-N	374.393	2.413	10	10	FECE	
CCCOC(=O)c1cccc(NC(=O)CCN2C(=O)CSC2=S)c1	1865769399	ZMKCLWUYTHZOHU-UHFFFAOYSA-N	366.464	2.442	10	10	FECE	
COC[C@@]1(NCc2ccc(O)c(O)c2)CCN(C(=O)OC(C)(C)C)C1	2039840739	JOMAXKXOIJYUTM-GOSISDBHSA-N	352.431	2.213	10	10	FECE	
CC(C)(C)OC(=O)NC1[C@H]2CC[C@H]1CN(CC(=O)Nc1ccc(N)cc1)C2	2163032278	JPQNLNQHJPXCFS-KBPBESRZSA-N	374.485	2.442	10	10	FECE	
C[C@@H](N)c1ccc(N2CCS(=O)(=O)[C@H](C)[C@H]2C)cc1Br	2170273546	IHKOAJUCHQPGPL-GMTAPVOTSA-N	361.305	2.481	10	10	FECE	
CCC[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)Cc1ccc(N)cc1	2044248547	ZEIBPRUYEDBMFI-HNNXBMFYSA-N	371.503	2.382	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C)CCN(S(=O)(=O)Cc2ccc(N)cc2)C1	2044603427	VZKYXXTZNGVIDB-QGZVFWFLSA-N	369.487	2.088	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CC(C(=O)C(=O)C[C@H]3C[C@H](N)C3)C[C@@H]2C1	2049782934	OSHDOFXVORJWKV-NMFUWQPSSA-N	350.459	2.145	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1ccc(O)c(O)c1	2054397757	LTQVKGRPLNZWKS-AAEUAGOBSA-N	350.415	2.473	10	10	FECE	
CC(C)(C)OC(=O)NC1(CCNS(=O)(=O)Cc2ccc(N)cc2)CC1	2059127683	MRVXQISIBAYKDV-UHFFFAOYSA-N	369.487	2.136	10	10	FECE	
CN1C(=O)[C@H](O)c2ccc(N3CC[C@@H](N(C)Cc4ccccc4)C3)cc21	2095819832	KMOXIDLMUHLQBU-YLJYHZDGSA-N	351.450	2.407	10	10	FECE	
CN(CCn1cc(C(=O)NCCCN=[N+]=[N-])cn1)C(=O)OC(C)(C)C	2218302432	SEUIWERHFGXCJR-UHFFFAOYSA-N	351.411	2.180	10	10	FECE	
CC(C)(C)OC(=O)NCCCC[C@H](NCc1cccc(O)c1O)C(=O)O	2274059302	BDCHMKNBCULXIO-ZDUSSCGKSA-N	368.430	2.336	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC(C)(C)[C@H]1C(=O)NCc1ccccc1O	2265125832	PIZVKTAWRIKCGS-OAHLLOKOSA-N	364.442	2.423	10	10	FECE	
CCN1N=C(C)C(=Cc2ccc(OCCN3CCOCC3)c(OC)c2)C1=O	2332105228	KEOZKOBZQYZQFH-UHFFFAOYSA-N	373.453	2.028	10	10	FECE	
CCN(CC)c1ccc(/C=c2/s/c(=C/C(=O)c3ccco3)[nH]c2=O)cc1	102971140	WXTKJDGFNDDLOG-KLCVKJMQSA-N	368.458	2.368	10	10	FECE	
COc1cc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)O)cc(O)c1O	1951855869	NXANECWJGFAKTF-QWRGUYRKSA-N	353.371	2.142	10	10	FECE	
Cc1cc(N2CCN(Cc3c(O)cccc3Cl)CC2)n2ncnc2n1	133935706	CEHQMUQFPXTYCH-UHFFFAOYSA-N	358.833	2.114	10	10	FECE	
COc1cc(Br)cc(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1O	361392589	WWSRHSDOVGAFCZ-BIMULSAOSA-N	369.259	2.262	10	10	FECE	
OCC1([C@@H](NCc2ccc(N3CCOCC3)cc2)[C@H]2CCCO2)CCC1	367960151	XIIOTMICVUNNHV-UXHICEINSA-N	360.498	2.323	10	10	FECE	
Cc1cccc2c1N(C(=O)C1=C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)CCN2	2381024198	URSWEEGUXUAIAR-HZPDHXFCSA-N	373.453	2.338	10	10	FECE	
O=C(OCc1ccccc1)N1C[C@H](c2ccc(O)c(O)c2)[C@H]([N+](=O)[O-])C1	382711763	HNXWEOWDMFTKNS-HUUCEWRRSA-N	358.350	2.479	10	10	FECE	
CN(Cc1ccc(F)cc1)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C	803685984	RVWSOGRIQXGYMI-UHFFFAOYSA-N	369.440	2.483	10	10	FECE	
C[C@@H]1CCN(c2cc3c(cc2N)OCCO3)[C@H](C)[C@@H]1NC(=O)C(F)(F)F	2163085033	JSKAWEULCWAYHW-IQMDTDKHSA-N	373.375	2.322	10	10	FECE	
O=C1CC[C@@H](N2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)CCN1	825148583	XNADKNOBMCOFKO-OAQYLSRUSA-N	370.541	2.463	10	10	FECE	
CNC(=O)[C@H]1CN(C(=O)/C=C\c2cnc3ccccc3n2)c2ccccc2O1	728222180	QWCAFSRCUAPHQV-OEIFXAAASA-N	374.400	2.183	10	10	FECE	
COc1ccc(C(=O)NCC(=O)NCCCSc2nccs2)cc1	734358493	JVIVXFAXYVJLKT-UHFFFAOYSA-N	365.480	2.180	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@]2(CCOC2)C1	836249774	QSLLSXOIQPTPEG-FQEVSTJZSA-N	359.470	2.235	10	10	FECE	
COc1cc(Br)cc([C@@H](C)N[C@@H]2CCCCNC2=O)c1O	848518452	LSWBBBGZPQRWHU-BXKDBHETSA-N	357.248	2.483	10	10	FECE	
O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	842519200	XVJBLMWCLBCTSU-DDBAPUKQSA-N	372.465	2.205	10	10	FECE	
NC/C=C\CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	841843384	GIUHBCJBUDJIHS-UIIMQBOASA-N	354.401	2.071	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@H](CN4CCCC4)C3)C2)cc1	854299220	GQMMDDKFSSLMEU-ZWKOTPCHSA-N	372.513	2.401	10	10	FECE	
Cc1cc(C(=O)N2CC[C@@](O)(C(N)=O)C2)c(C)n1-c1ccc(C(C)C)cc1	787975963	WBQPLJOYWWJAKC-NRFANRHFSA-N	369.465	2.280	10	10	FECE	
COC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1cc2cc(O)c(O)cc2s1	899208369	SYFMDTQXNQKSOX-QMMMGPOBSA-N	357.334	2.335	10	10	FECE	
CN(Cc1ncnn1C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2	707408191	GEPYHEMARYMQCU-UHFFFAOYSA-N	372.473	2.327	10	10	FECE	
CCn1nccc1CN(CCO)Cc1cc(Br)ccc1O	793306613	FMZOCVXTEZPSHP-UHFFFAOYSA-N	354.248	2.366	10	10	FECE	
NS(=O)(=O)c1ccc(C(=O)NCc2c(O)ccc3ccccc23)cc1	1157036567	DBRDVVJCSDTEJW-UHFFFAOYSA-N	356.403	2.123	10	10	FECE	
CO[C@@H]1CN(CCCOc2ccc(N)cc2)C[C@H]1NC(=O)OC(C)(C)C	2122656613	XQRGNTWYBCENES-IAGOWNOFSA-N	365.474	2.262	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H](N=[N+]=[N-])CC1)C1(O)CCC1	2131455977	CRWTXAHFCYXTAE-STQMWFEESA-N	367.450	2.486	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3C[C@H]3C3CC3)cc2)CC1	1343799627	IFEHAJHFQAULBU-RBUKOAKNSA-N	355.482	2.454	10	10	FECE	
Cc1cc(Cn2c(-c3sccc3O)nnc2N2C[C@H]3COC[C@H]3C2)no1	1346954826	VBCVIUQNXLSXKN-TXEJJXNPSA-N	373.438	2.140	10	10	FECE	
CC(C)(C)OC(=O)N1CC(N(C(=O)c2cc(O)c(O)c(O)c2)C2CC2)C1	2132413874	QUXUSKSSTUNBJY-UHFFFAOYSA-N	364.398	2.027	10	10	FECE	
CC(C)(C)OC(=O)N(CCCNC(=O)c1cc(O)c(O)c(O)c1)C1CC1	2132410901	QORXCNXXJJEMRA-UHFFFAOYSA-N	366.414	2.323	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)CN(Cc2ccccc2)C1	2132407284	ODBHWECUWAVMJA-XJKSGUPXSA-N	356.422	2.444	10	10	FECE	
COc1ccc(N2CCCN(C(=O)c3cnn4c3NC[C@H](C)C4)CC2)cc1	1346211184	SIPHJBRPSMMZKX-HNNXBMFYSA-N	369.469	2.306	10	10	FECE	
COc1cccc(CNC(=O)c2c(Cl)cccc2S(C)(=O)=O)c1O	1294924979	KDCUFLPVAHPFND-UHFFFAOYSA-N	369.826	2.388	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1	1295792422	PEDQXABBSGWEEG-TZMCWYRMSA-N	364.442	2.402	10	10	FECE	
CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NCc1cc(O)ccc1O	1455356737	KFENQMPVIGZCMT-CYBMUJFWSA-N	352.456	2.052	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)cc1	1294227620	YLGKWPXESFOCFV-KRWDZBQOSA-N	353.422	2.360	10	10	FECE	
COC(=O)[C@@]1(O)CCN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1	1471529610	XBMYHXLTOKGUMY-OAQYLSRUSA-N	370.449	2.461	10	10	FECE	
COC(=O)[C@@H]1CN(Cc2ccc(N3CCCCC3)c(C)c2)C[C@@H]1C(=O)OC	1620665598	OCBHURYAUQXTKC-HDICACEKSA-N	374.481	2.379	10	10	FECE	
O=C(C[C@H]1Oc2ccccc2NC1=O)NCc1ccc2cccnc2c1O	1627069596	QBQOHPZYRAMDPW-MRXNPFEDSA-N	363.373	2.346	10	10	FECE	
C[C@H](NC(=O)c1cc2c(c(S(N)(=O)=O)c1)CCC2)c1ccccc1O	1557967567	GYJISOXZQFFEIA-NSHDSACASA-N	360.435	2.019	10	10	FECE	
CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N(C)C)cc1C	1728268680	GYMYXEVKRAIDSX-UHFFFAOYSA-N	370.501	2.393	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CCN1C(C)(C)C	1566849599	NNBSOQBOBPAQJH-CQSZACIVSA-N	368.861	2.420	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)NC3(C)CN(C(=O)OC)C3)ccc21	1644802933	XXAPSSKULIUHGR-UHFFFAOYSA-N	373.453	2.475	10	10	FECE	
COc1ccc(CNC/C=C/CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1C	1668942827	VHQMDDAFFBSDFO-NOKYOLBISA-N	356.466	2.189	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC(CCC(N)=O)CC2)c([N+](=O)[O-])c1	1772907330	KOSFVQWQMVRZNL-DAXSKMNVSA-N	361.398	2.263	10	10	FECE	
CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(F)cc2)N(C)C)cc1	5098868	ZFELMEUJTRQIRS-SFHVURJKSA-N	365.474	2.473	10	10	FECE	
CCC[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)N(C)C	156624231	LUKWNIJXAVNEAZ-SFHVURJKSA-N	351.466	2.133	10	10	FECE	
O=S1(=O)C[C@H]2C[C@H](NCc3cccc(Br)c3O)C[C@H]2C1	1974483933	NJOWVVTWGUFKNX-GDNZZTSVSA-N	360.273	2.068	10	10	FECE	
C[C@H](N[C@H]1COCCN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1O	2034722625	ISNLAVZTWSTCPG-QWHCGFSZSA-N	352.431	2.384	10	10	FECE	
C[C@H](N[C@H]1COC[C@@H]1CNC(=O)OC(C)(C)C)c1cc(O)ccc1O	2036598041	CHASDIXYYHTPGI-HUBLWGQQSA-N	352.431	2.288	10	10	FECE	
C[C@H](N)c1ccc(N2CCC[C@H](S(C)(=O)=O)C2)c(Br)c1	312809558	LKDYRCKIXYKUKS-JQWIXIFHSA-N	361.305	2.482	10	10	FECE	
CCOc1cccc(CNC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1O	702798099	RZDOBKUZAHIDLD-HUUCEWRRSA-N	366.458	2.108	10	10	FECE	
CCN1C(=O)C(=Cc2c(NC)nc3c(C)cccn3c2=O)SC1=S	2053496983	RMBGCASHOYVPKY-UHFFFAOYSA-N	360.464	2.266	10	10	FECE	
CN1CCc2cc([C@H](N)[C@]3(O)CCN(C(=O)OC(C)(C)C)[C@@H]4C[C@H]43)ccc21	2177678657	LPQVBEGHUATCIG-OCQZMCQHSA-N	373.497	2.439	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COCC[C@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2060633913	SWNKKFLZQYXJBW-OLZOCXBDSA-N	353.423	2.218	10	10	FECE	
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060636515	YRYNWQWKJZWIQQ-RWMBFGLXSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)COc2ccc(N)cc2)C1	2106699685	PGHUNVSANWIBCN-CQSZACIVSA-N	363.458	2.411	10	10	FECE	
O=c1c2c(ccn1Cc1ccc(I)cc1)CCNC2	2094407290	OUBGDABTOUNVCY-UHFFFAOYSA-N	366.202	2.147	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@]2(COCCN2CCCCN=[N+]=[N-])C1	2117995910	NKQWPWLZWWEJMV-KRWDZBQOSA-N	369.466	2.415	10	10	FECE	
COc1ccc(N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)c(OC)c1C	2278061816	KTOLLWDXWAPWMH-ZIAGYGMSSA-N	366.458	2.477	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N[C@@H]1CCN(c2c(F)cccc2F)C1=O	2307989935	MZHPFGMTUOBMRR-CQSZACIVSA-N	374.343	2.311	10	10	FECE	
CN(c1ccc(CO)cc1Br)[C@@H]1CC[C@H](S(C)(=O)=O)C1	2361705262	ZPNYXIKQTUJYHG-NEPJUHHUSA-N	362.289	2.343	10	10	FECE	
COc1ccc(N2CCN(S(=O)(=O)[C@H](C)C(F)(F)F)CC2)cc1	184099861	RESQDSRJVOIZIF-LLVKDONJSA-N	352.378	2.098	10	10	FECE	
CN(C)c1ccc(C=c2sc3nc4ccccc4n3c2=O)cc1[N+](=O)[O-]	254393860	VSWMOBZAUDOHAD-UHFFFAOYSA-N	366.402	2.431	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)C2(CO)CC2)C1	614771851	QKWMAZLZYWNKTE-UHFFFAOYSA-N	355.482	2.391	10	10	FECE	
O=C1C[C@H]([C@@H]2CCCCN2C(=O)NCc2ccc(N3CCCC3)cc2)CN1	367059246	CWTJFZORRALOIR-HKUYNNGSSA-N	370.497	2.487	10	10	FECE	
CC(=O)C(=O)COC(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1	808535364	JJZIXLUTXMOJTE-GOSISDBHSA-N	356.374	2.390	10	10	FECE	
CC(=O)C(=O)COC(=O)c1cc(O)nc2ccc(Br)cc12	808518486	COUISACVQNJPPW-UHFFFAOYSA-N	352.140	2.018	10	10	FECE	
C[C@@H](CNC(=O)c1ccn(-c2ccc(N)cc2)n1)N(C)C(=O)OC(C)(C)C	2162519538	GELVKSSLUSMJOZ-ZDUSSCGKSA-N	373.457	2.440	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)NC[C@@H]1CCC[C@H]2C[C@@H]21	828238637	IYRCWHBXQFACCI-AVGNSLFASA-N	353.513	2.294	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)N[C@H](C)c3ccccc3)C2)cc1	826594505	MBCCUXWVKPZINN-NVXWUHKLSA-N	367.449	2.268	10	10	FECE	
CC(=O)N[C@H](CC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)c1ccccc1	832292931	NKJDLUMSQZLOCX-WOJBJXKFSA-N	368.481	2.136	10	10	FECE	
CCc1ncc(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)o1	836634885	ZWCHTIYRQQRDEH-UHFFFAOYSA-N	372.469	2.445	10	10	FECE	
CN(C)c1ccc(CNC(=O)NCc2nc3c(s2)COCC3)cc1F	915366014	KLCOWCJNTSOULA-UHFFFAOYSA-N	364.446	2.420	10	10	FECE	
Cc1cc(Br)c(O)c(CN2C[C@H](C)N(CCO)C[C@H]2C)c1	841891688	OOUGJELJIHGASS-QWHCGFSZSA-N	357.292	2.350	10	10	FECE	
CC[C@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCCCO1	848939183	FQNQZQPSHLWLFT-ZWKOTPCHSA-N	361.486	2.175	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)CCC(F)(F)F)C2)cc1	849415716	FTAMAGCRSFHMAN-NSHDSACASA-N	352.378	2.146	10	10	FECE	
CN(C)c1ccc(CNC[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1F	842721808	LVOZNGFQXQGHLL-CQSZACIVSA-N	364.442	2.216	10	10	FECE	
C[C@@H](NC(=O)N(C1CC1)[C@H]1CCNC1)c1ccc(N2CCOCC2)cc1	841742301	VUQAGJPXJKBBKM-BEFAXECRSA-N	358.486	2.120	10	10	FECE	
C[C@H](NCCN1CCC(N)CC1)c1ccc(N2CCOCC2)cc1Cl	925816602	ZQNHOFFWZKLBHA-HNNXBMFYSA-N	366.937	2.250	10	10	FECE	
CCOC(=O)C1=CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	858600208	UOICABGSTKYBSH-JKSUJKDBSA-N	373.453	2.225	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3c(C)nc4ccnn4c3C)C2)cc1	855233696	KSHHPTZKLDGWQC-HNNXBMFYSA-N	365.437	2.363	10	10	FECE	
COc1ccc(N2CCN(CCN[C@H]3CCN4CCC[C@H]4C3)CC2)cc1	754792451	BTJXIQGSNMKHJR-ICSRJNTNSA-N	358.530	2.034	10	10	FECE	
COc1ccc2c(c1)CCCN2[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O	851722886	SCYKZDAKCHUATE-KRWDZBQOSA-N	360.454	2.390	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)/C=C\COC3CCOCC3)C2)cc1	869228970	QLKCAWZBCSXXFB-YPQKKHBXSA-N	360.454	2.142	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](CO)c2ccnn2C)c1	861952891	XHWRHTMOZMTBTI-GOSISDBHSA-N	366.421	2.104	10	10	FECE	
C[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1ccc(S(=O)(=O)N(C)C)cc1	871204267	WSYFXSQQIXZMMC-CYBMUJFWSA-N	374.462	2.288	10	10	FECE	
Cc1ncoc1C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	768911030	KWZRLXJVNKAJPP-UHFFFAOYSA-N	354.454	2.445	10	10	FECE	
Cc1cc(-c2nc(-c3cn(C)c(=O)nc3O)no2)c(C)n1-c1ccccn1	771190017	SYGPEJKXENXUFN-UHFFFAOYSA-N	364.365	2.005	10	10	FECE	
Cc1ncc(S(=O)(=O)NCc2cc(Br)ccc2O)s1	796190865	LLVRSMCLKMHSOP-UHFFFAOYSA-N	363.258	2.398	10	10	FECE	
C[C@@H](Cn1ccnc1)NC(=O)NCc1cc(Br)ccc1O	794805908	XLXFYFUGUIBAAM-JTQLQIEISA-N	353.220	2.239	10	10	FECE	
COc1ccc(CNS(=O)(=O)c2cnccc2C(F)(F)F)c(O)c1	795357512	FRCPSSCREGMRJC-UHFFFAOYSA-N	362.329	2.293	10	10	FECE	
CNC(=O)C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccccc1	795603067	FNRAFIRIMIWFNX-OAQYLSRUSA-N	366.509	2.405	10	10	FECE	
COc1ccc(CNC(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)c(O)c1	797636570	BJFMKHOCAZXFKQ-CQSZACIVSA-N	355.394	2.326	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cccc(O)c3O)C[C@]2(C)C1	874515096	ZLUUDPVKAYXCEU-HXPMCKFVSA-N	362.426	2.427	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2O)N(C)C)cc1	1304769721	YZFHWQPJMOCMQS-QGZVFWFLSA-N	372.425	2.399	10	10	FECE	
CC(C)Cc1coc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)n1	1161836910	HKOHVMNFVZYGLF-UHFFFAOYSA-N	353.400	2.203	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCC[C@@H](N=[N+]=[N-])C2)CC1	2124541706	VSNJVUVQKHSTBP-CYBMUJFWSA-N	367.450	2.440	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2	1325679627	LXJYDFMQVHCZSD-BQFCYCMXSA-N	373.522	2.161	10	10	FECE	
C[C@@H](NC(=O)C(=O)NC[C@@H]1CCCC(C)(C)O1)c1ccc(N(C)C)cc1	1332983483	XZGBSPFCCDDHLT-PBHICJAKSA-N	361.486	2.394	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1)C1(O)CCC1	2131457270	NNMAPMSKMMQTBJ-QWHCGFSZSA-N	367.450	2.344	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N[C@H]2CCN(C3CCC3)C2=O)cc1	1331272617	QXQFLPIDRIOPRW-SFHVURJKSA-N	358.486	2.485	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cc(C)nc4c3cnn4C)C2)cc1	1278862036	VHQJUHNNGYVARD-AWEZNQCLSA-N	365.437	2.294	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)C(=O)N3CCO[C@H](C)CC3)cc2)CC1	1354456729	UOCCOWPEAIWJAW-QGZVFWFLSA-N	373.497	2.177	10	10	FECE	
C[C@@H](CO)N(Cc1ccccc1)C(=O)c1ccn(-c2ccc(N)cc2)n1	1914359111	WEFGPAOVCNFMQX-HNNXBMFYSA-N	350.422	2.478	10	10	FECE	
CCn1c(S)nc2cc(C(=O)NCc3ccc(O)cc3O)ccc2c1=O	1626837970	LXYSCFYVMYZWSI-UHFFFAOYSA-N	371.418	2.046	10	10	FECE	
O=C(NCc1cccc(O)c1O)c1cc2nccc(C(F)(F)F)n2n1	1558161971	SCNUPBFUCYAPLH-UHFFFAOYSA-N	352.272	2.089	10	10	FECE	
CCO[C@H]1[C@@H](C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)[C@H]1C	1556946412	ISHYSZVAABGCJJ-XQAQDONZSA-N	354.397	2.089	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)cc1	1636669831	HPXDJEOEVXPDJU-MRVPVSSYSA-N	354.235	2.137	10	10	FECE	
Nc1c(C(=O)NCc2ccc3cccnc3c2O)cc(F)cc1[N+](=O)[O-]	1639621848	WJULVLLZRUAHQS-UHFFFAOYSA-N	356.313	2.500	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)c3cc4n(n3)CCC[C@@H]4O)CC2)cc1	1636707006	PYRWFNORUVZMFC-IBGZPJMESA-N	370.453	2.071	10	10	FECE	
CC(=O)c1cc(F)cc(CN2C[C@]3(CO)CCCC[C@]3(CO)C2)c1O	1648523498	QPQNMDWQGOXHEO-KDURUIRLSA-N	351.418	2.081	10	10	FECE	
CC(C)n1nc(C(=O)NCc2ccc(O)c(O)c2)c2ccccc2c1=O	158974033	SIOXFOVKZSLTJI-UHFFFAOYSA-N	353.378	2.319	10	10	FECE	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1	151594590	GMLAUTHNAYPSSX-HZPDHXFCSA-N	355.394	2.270	10	10	FECE	
C[C@@H](NCCNC(=O)c1ccccc1O)c1ccc(N2CCOCC2)cc1	154641760	HTFKRSRARLJDTL-MRXNPFEDSA-N	369.465	2.309	10	10	FECE	
CN(C)c1ccc([C@@H](NC(=O)c2cc(O)cc(O)c2)c2nccn2C)cc1	1866088333	XAVLCQJDOCJQGL-GOSISDBHSA-N	366.421	2.417	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)NCC2(CN=[N+]=[N-])CC2)C[C@@H](O)C1(C)C	1879107798	WBJGDIYHICJBJT-PIGZYNQJSA-N	367.450	2.247	10	10	FECE	
C[C@H](CCC(=O)NCCc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	277359470	BHMHVDQXEXKHSO-GFCCVEGCSA-N	352.431	2.450	10	10	FECE	
CCN[C@H](c1ccccc1O)c1cnn(C)c1I	2029556926	XIPGNBLOWOGLMO-GFCCVEGCSA-N	357.195	2.429	10	10	FECE	
COc1ccc(CNC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)c(O)c1	394392439	QQGJHSQCUFBENG-OAHLLOKOSA-N	365.474	2.042	10	10	FECE	
C[C@H](NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cc(O)ccc1O	397399936	GXPQLBYRCUEIMD-JSGCOSHPSA-N	352.431	2.384	10	10	FECE	
COc1ccc([C@H](C)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)c(O)c1	2060806793	JFBTWMXTXRCRHV-SGTLLEGYSA-N	354.447	2.327	10	10	FECE	
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(CN=[N+]=[N-])CC2)COC1	2067763553	HSIAKYVUPKXSJQ-UHFFFAOYSA-N	353.423	2.077	10	10	FECE	
C[C@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)c1ccccc1O	2072479310	HPMUTZONCCFECK-SGTLLEGYSA-N	350.415	2.253	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2073943302	KRKGLQMMDBWFKU-JHJVBQTASA-N	353.423	2.360	10	10	FECE	
C[C@@H]1CN(C(=O)COc2ccc(N)cc2)C[C@H]1CNC(=O)OC(C)(C)C	2106693621	DVDVSVRFBKLLEM-ZIAGYGMSSA-N	363.458	2.267	10	10	FECE	
C[C@H]1OC2(C(=O)N(C)CCCN=[N+]=[N-])CC1(NC(=O)OC(C)(C)C)C2	2254818905	TVLHKOAQYKFPFJ-VHWKEVPUSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2278990555	WOKBJOBDXGUHSF-IGCXYCKISA-N	365.434	2.314	10	10	FECE	
Cc1ccc(CN[C@@H](C)[C@@H](C)S(C)(=O)=O)c(O)c1Br	2352940869	JHIQOTHLVPBJSC-VHSXEESVSA-N	350.278	2.374	10	10	FECE	
CCn1cc(CN2CCCN(Cc3cc([N+](=O)[O-])ccc3O)CC2)cn1	106158269	GWCBKUYJLRJWJB-UHFFFAOYSA-N	359.430	2.225	10	10	FECE	
O=C(N[C@H]1CCCn2ncnc21)N(Cc1ccccc1O)C[C@@H]1CCCO1	176595667	YIDZJJVZEYHWIW-HOTGVXAUSA-N	371.441	2.209	10	10	FECE	
O=C1/C(=C/C=C\c2ccccc2)SC(=S)N1CCS(=O)(=O)O	33247750	WNPZOZGDQWKCNS-PNLRFAOHSA-N	355.462	2.332	10	10	FECE	
CCNC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(N3CCC(O)CC3)cc2)C1	90409897	KLLAVKBOQMJKDT-DOTOQJQBSA-N	360.502	2.102	10	10	FECE	
CCOCCO[C@H]1CCN(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)C1	255314445	DMQVASKMFDRCPE-VORVDVFJSA-N	374.481	2.190	10	10	FECE	
CC[C@@H](N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(N(C)C)cc1	806171170	VVUDJNAJXRORRB-SJLPKXTDSA-N	368.547	2.064	10	10	FECE	
COC(=O)C(C)(C)CNC(=O)NCc1cc(Br)ccc1O	805199084	VQDFFSHPXYVQQN-UHFFFAOYSA-N	359.220	2.153	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C	808529410	INMRNQOSFDKJSD-INIZCTEOSA-N	361.394	2.222	10	10	FECE	
CCOC(=O)CN(Cc1cc(-c2cnn(C)c2)no1)Cc1ccccc1O	823576539	RTPAHWHLOBOUTF-UHFFFAOYSA-N	370.409	2.346	10	10	FECE	
COc1cc(N2CC[C@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])cc1OC	829304929	DSDBCBROZMQZJG-ISVAXAHUSA-N	350.293	2.362	10	10	FECE	
CN(C)C(=O)N(C)[C@@H]1CCN(Cc2ccc(Br)cc2O)C1	827545280	YUYKGTSGPUIEGG-CYBMUJFWSA-N	356.264	2.342	10	10	FECE	
CC(=O)N1CCO[C@@H](C(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)C1	827504337	DMDLHVZRRNJYNF-HXUWFJFHSA-N	369.465	2.266	10	10	FECE	
CCOC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(N2CCOCC2)cc1	588392576	CUHVYJOARAXROZ-VOCYLRNQSA-N	358.438	2.091	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Nc3nnc4ccccn34)C2)cc1	820934958	KYCQRTIMBBCZNE-ZDUSSCGKSA-N	352.398	2.138	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)NCc1ccc(O)c(O)c1	907060844	PSUFXTGVTPTVLA-WOSRLPQWSA-N	362.426	2.217	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)Cc1cnccc1C	839272169	MBQREAWDSSXONN-UHFFFAOYSA-N	355.438	2.493	10	10	FECE	
C[C@@H](NC[C@@H]1CS(=O)(=O)c2ccccc2O1)c1cc(F)ccc1O	842885173	WKHWAXLHMRQBPQ-DGCLKSJQSA-N	351.399	2.417	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1	849546595	CBBGQQLGDKHCTJ-WOJBJXKFSA-N	369.513	2.146	10	10	FECE	
COc1ccc(CNC(=O)CN2CCCc3cc(CN)ccc32)cc1OC	843349505	BMVYICHUHFDOFU-UHFFFAOYSA-N	369.465	2.232	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)COCC(F)F)cc2F)C[C@@H](C)O1	858626208	URPOTHZNHKXWFJ-TXEJJXNPSA-N	360.376	2.337	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3CC[C@H](O)C(F)(F)C3)CC2)cc1	853642144	AFZBBTYJJPYZIY-INIZCTEOSA-N	369.412	2.076	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)OCCc2cn(C)nn2)CCCC1	851376327	VLFCRDYTRUPACK-UHFFFAOYSA-N	368.437	2.443	10	10	FECE	
O=C(CCOCC1CC1)NCc1ccc(N2CCC(O)CC2)c(F)c1	751378310	GOOZCKLYWYPSCU-UHFFFAOYSA-N	350.434	2.220	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)COCC(F)F)cc2F)C[C@@H](C)O1	858626209	URPOTHZNHKXWFJ-VXGBXAGGSA-N	360.376	2.337	10	10	FECE	
C[C@@H](NC[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)c1ccccc1O	931553313	BKUADNSIGKQSIV-CJNGLKHVSA-N	370.515	2.044	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](O)c3ccccc3)C2)cc1	852453261	JQORJRWDIAWWFF-APWZRJJASA-N	355.438	2.307	10	10	FECE	
COC(=O)[C@H](C[C@@H]1CCCOC1)NCc1cc(F)c(N(C)C)cc1F	862515760	BPSACWFXKJBLPD-LRDDRELGSA-N	356.413	2.479	10	10	FECE	
CCOc1cc(NCCN2CCN(c3ccc(OC)cc3)CC2)ncn1	772008971	CTQVOCKJXMZKLE-UHFFFAOYSA-N	357.458	2.118	10	10	FECE	
NS(=O)(=O)c1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)cc1	1135435497	LXFKJPHCVXCGSF-UHFFFAOYSA-N	364.404	2.212	10	10	FECE	
O=C(NCCCOC[C@@H]1CCOC1)c1cc2cc(O)c(O)cc2s1	896525557	ZMPGSBYLKMQJOE-NSHDSACASA-N	351.424	2.486	10	10	FECE	
CCc1nc(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cs1	788937006	MGEITZZGBKFEGI-UHFFFAOYSA-N	372.494	2.238	10	10	FECE	
COC(=O)c1c(CN2CC[C@@H](O)C(F)(F)C2)c2cc(F)ccc2n1C	895251461	WEILCSKOXRKOEA-CQSZACIVSA-N	356.344	2.306	10	10	FECE	
COc1ccc(O)c(CNC(=O)C(=O)Nc2cc(C)n([C@H](C)C3CC3)n2)c1	784708117	VGDYHAJVPIGQCO-GFCCVEGCSA-N	372.425	2.132	10	10	FECE	
CNC(=O)[C@@]1(C)CCN(Cc2c(C(=O)OC)n(C)c3ccc(F)cc23)C1	894644091	KCRHEUPSYJVGTL-IBGZPJMESA-N	361.417	2.062	10	10	FECE	
O=C(Nc1ccc(F)c(N2C(=O)CCC2=O)c1)c1c(F)ccc(O)c1O	1306838329	DUNWYEDFNLYMSK-UHFFFAOYSA-N	362.288	2.282	10	10	FECE	
CCN1CCCC[C@@H]1C(=O)N1CCN(c2ccc(OC)cc2OC)CC1	1161706106	JUHHYBIFMXRZQV-GOSISDBHSA-N	361.486	2.227	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2ccccc2O)C[C@H]2OCC[C@@H]21	934936652	WAYXXQPIKVVGGF-OFQRWUPVSA-N	362.426	2.175	10	10	FECE	
CC1(C)[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1N1CCOCC1	1300189672	UYCAUGMJFFZRJG-LSDHHAIUSA-N	359.430	2.078	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](NCc3cc(F)cc(F)c3O)[C@H]2C1	2121657007	LMMBRIOIFGSIHL-SNPRPXQTSA-N	370.396	2.394	10	10	FECE	
C[C@H](NC(=O)C(=O)NC[C@@H]1CC[C@@H](C2CC2)O1)c1ccc(N(C)C)cc1	1333430316	UFPVACSJUJCEKQ-KKXDTOCCSA-N	359.470	2.004	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)/C=C/[C@H]3COC(C)(C)O3)CC2)cc1	1295275281	MYDIROTYWVRCQF-BBVFFXRHSA-N	360.454	2.442	10	10	FECE	
Cc1ncc([N+](=O)[O-])n1CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	1466290620	ZSMODCUEJKEZPQ-OAHLLOKOSA-N	374.397	2.013	10	10	FECE	
CC(C)[C@@H](O)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1471542365	AKJKUVCKHKQAME-ROUUACIJSA-N	350.507	2.062	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(-c2cnccn2)n1CCCCCO	1617939865	JCSUXSPOFIZSPE-UHFFFAOYSA-N	368.441	2.240	10	10	FECE	
C[C@H](C(=O)NCc1c(O)cccc1F)c1ccc(S(C)(=O)=O)cc1	1558454778	MCQMBJOOUPTIRY-NSHDSACASA-N	351.399	2.355	10	10	FECE	
CO[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)C12CCC2	1636006223	MGVKMGYHLIWWAC-RTBURBONSA-N	372.513	2.195	10	10	FECE	
COCN1C(=O)CCc2cc(NC(=O)Cc3ccc(O)c(O)c3)ccc21	1633222789	CJHOZZPEWKXLQV-UHFFFAOYSA-N	356.378	2.162	10	10	FECE	
Cc1cc(C(=O)NCc2cc(Cl)ccc2O)nc2nc(O)nc(O)c12	1639965978	VCUJMVFXSJCPJH-UHFFFAOYSA-N	360.757	2.033	10	10	FECE	
CCOC(=O)[C@@]1(C)CN(Cc2cc(Cl)cc(C(C)=O)c2O)CCO1	1648086574	CWCQOKNDOUTDIN-QGZVFWFLSA-N	355.818	2.402	10	10	FECE	
C[C@]1(c2cccc(C(=O)NCc3cc(Cl)ccc3O)c2)NC(=O)NC1=O	1640920283	NLRUGCXWZYYYFR-GOSISDBHSA-N	373.796	2.030	10	10	FECE	
NC(=O)c1cccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)n1	1641972505	VRYKEIFPICMOJZ-UHFFFAOYSA-N	358.361	2.143	10	10	FECE	
CN(C(=O)Cc1ccc(O)c(O)c1)C1CCN(CCc2ccccn2)CC1	1584503627	DCDNRGLHEMXHCT-UHFFFAOYSA-N	369.465	2.201	10	10	FECE	
Cc1nnc(N(C)Cc2cnccn2)n1Cc1ccc2c(c1)CCCN2C	1751882966	ZKTHMKXWAKQBQV-UHFFFAOYSA-N	363.469	2.444	10	10	FECE	
COC[C@@H]1CN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)C[C@H](C)O1	1697885975	MAHJZNPJBVRHRX-KXBFYZLASA-N	373.501	2.249	10	10	FECE	
Cc1ccc(CN2CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C2)c(O)c1	1963049054	HFPFBFXNKYCWOQ-SFHVURJKSA-N	350.415	2.254	10	10	FECE	
COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NCc2ccc(F)cc2O)C1	1967838488	CEPPELRPIXCXHA-KTXOBNNYSA-N	368.405	2.220	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1cncs1)C(=O)NCCCN=[N+]=[N-]	2010389737	UGQDFQSACNXWAC-NSHDSACASA-N	354.436	2.396	10	10	FECE	
C[C@H](N[C@@H]1COCCN(C(=O)OC(C)(C)C)C1)c1ccc(O)cc1O	2034723342	PGDPZZBRVVGJGB-STQMWFEESA-N	352.431	2.384	10	10	FECE	
NCc1ccc(N2CC[C@]3(CCCS3(=O)=O)C2)c(Br)c1	709576995	XLMAVRWNKXNBTF-CQSZACIVSA-N	359.289	2.065	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)C(=O)C[C@H]3C[C@H](N)C3)C[C@H]2C1	2049782933	OSHDOFXVORJWKV-MXAVVETBSA-N	350.459	2.145	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)N2CC[C@H](N=[N+]=[N-])C2)C1	2060639585	JSRPIURONGVALA-LRDDRELGSA-N	353.423	2.050	10	10	FECE	
Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCN=[N+]=[N-])cn1	2060635402	LPDKDZQHVOVDIU-LBPRGKRZSA-N	351.411	2.193	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H]2CCN(Cc3cc(N)ccc3O)C[C@H]21	2106685496	PHYWEBRLXYWRLY-WBVHZDCISA-N	363.458	2.185	10	10	FECE	
C[C@H](CCNC(=O)OC(C)(C)C)N(C)C[C@@H](O)COc1ccc(N)cc1	2106760914	STUOHDLKKHSRSF-GDBMZVCRSA-N	367.490	2.244	10	10	FECE	
CN(CCOc1ccc(N)cc1)[C@]1(CNC(=O)OC(C)(C)C)CCOC1	2106754521	QFLIQVSJNDCRIU-IBGZPJMESA-N	365.474	2.263	10	10	FECE	
CCOc1cccc(CNCC2(O)CC(NC(=O)OC(C)(C)C)C2)c1O	2107273736	UFSOFKTVBZBGHO-UHFFFAOYSA-N	366.458	2.299	10	10	FECE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(C)cc3)C(=N)N21	2297345304	KPFXPGCZHHGSQR-UHFFFAOYSA-N	362.436	2.006	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(C)(C)C	2315987324	QTILMWGHSMSTGU-VXGBXAGGSA-N	357.455	2.446	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)c1c(CNC(=O)OC(C)(C)C)cnn1C	2315986496	DVZQXABRLPJBPF-UHFFFAOYSA-N	351.411	2.217	10	10	FECE	
CCn1cc(CNC(=O)c2sccc2-n2c(C)ccc2C)c(O)nc1=O	1347984686	FRPCFOIYTAMZPU-UHFFFAOYSA-N	372.450	2.368	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)NCCCn3ccnn3)cc2)CC1	182560117	OOECZKMGOHLWHG-UHFFFAOYSA-N	356.474	2.404	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N[C@H]2COCCC2=O)CCCC1	628875719	BMBJDXTZMCDFRR-INIZCTEOSA-N	356.422	2.003	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCC[C@H]1CCOC1	807326212	FOOSZXITCGCSOC-SFHVURJKSA-N	373.497	2.178	10	10	FECE	
CC(C)CCC(=O)NCC(=O)NCc1cc(Br)ccc1O	804738946	KFIUBNSNYYWMLH-UHFFFAOYSA-N	357.248	2.323	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)Nc2ccc3c(n2)OCCO3)cc1	825003038	OSJSWTQUECWVMM-UHFFFAOYSA-N	372.425	2.462	10	10	FECE	
O=S1(=O)CCN(Cc2ccc(Br)cc2O)[C@H]2CCC[C@H]21	826100728	SWWCPVAXHPCGJG-GXTWGEPZSA-N	360.273	2.306	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)C(=O)c1ccc[nH]1	836205091	RWRFSILPLSWTFW-UHFFFAOYSA-N	366.465	2.046	10	10	FECE	
Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)/C=C\c2ccc(O)c(O)c2)cn1	588404950	XAUIWASDXVOOLD-PKYBCLHXSA-N	355.394	2.109	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3CCN(CCO)C[C@@H]3C)c2C)cc1	837193564	VZOVVNBWWVIBOG-INIZCTEOSA-N	371.481	2.241	10	10	FECE	
Nc1ccc(CCNC(=O)N[C@H]2CCCN(c3ccccc3)C2=O)cc1	841821523	GJJCPLZGKDIKDW-SFHVURJKSA-N	352.438	2.306	10	10	FECE	
C[C@@H](NC(=O)N[C@H](CC1CCOCC1)C(=O)O)c1ccc(N(C)C)cc1	929046502	WEPCJUDFUPAWJP-CXAGYDPISA-N	363.458	2.383	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@]2(OC(C)C)CCOC2)c1	925747617	PHIRLYBRAJOOOV-ACJLOTCBSA-N	352.431	2.345	10	10	FECE	
CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc1	853244397	KXALLPNFBYONTN-RTBURBONSA-N	372.513	2.195	10	10	FECE	
COc1cc(C)cc(CN2CCN(c3ccc(F)cc3C(N)=O)CC2)c1O	857238423	PYUQQFWTMKWUJS-UHFFFAOYSA-N	373.428	2.269	10	10	FECE	
OC[C@@]1(CN[C@H]2CCc3cccc(O)c32)COCCN1Cc1ccccc1	850556049	QIVBDEZWRTWIQN-UGKGYDQZSA-N	368.477	2.233	10	10	FECE	
CC(C)[C@H]1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	755998529	YJRKZJNUIFTHDR-KRWDZBQOSA-N	363.477	2.256	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3C[C@H]4[C@H]5CC[C@@H](CN5)[C@H]4C3)ccc21	861567196	AOVMQBXJWNQIES-WJFTUGDTSA-N	354.498	2.208	10	10	FECE	
COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1	785489461	YZZOFDRJQXNMKK-UHFFFAOYSA-N	372.380	2.258	10	10	FECE	
COC(=O)c1c(CN(CCO)Cc2cccnc2)c2cc(F)ccc2n1C	894002296	OZPIBMAVWAWWFG-UHFFFAOYSA-N	371.412	2.494	10	10	FECE	
COC(=O)[C@H]1[C@@H](CNCc2cccc(Br)c2O)C1(F)F	894571207	NUABEJRIRMHDFX-PSASIEDQSA-N	350.159	2.299	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1	1136742832	APUHGZVDAQFGPD-INIZCTEOSA-N	361.442	2.164	10	10	FECE	
CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@H](C(N)=O)c1ccc(O)c(O)c1	698467951	JHKVJFQGNCPZSL-DOMZBBRYSA-N	366.414	2.040	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CN(C(=O)Nc2ccc(N)cc2)CC[C@@H]1CO	2122344322	GBHKHPBYSBRKAG-DOMZBBRYSA-N	364.446	2.008	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)c3ccc(O)c(O)c3)C[C@H]2C1	2118190632	VVXBPZCZRVJXNT-WDNDVIMCSA-N	362.426	2.473	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCCN(CC(=O)NCC2(CN=[N+]=[N-])CC2)C1	2124505108	HPDLUZFNGKWEEK-CYBMUJFWSA-N	366.466	2.182	10	10	FECE	
CC[C@@H](C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1	1344246827	QORDTAODVWDHKA-VNHYZAJKSA-N	363.458	2.160	10	10	FECE	
C[C@@H](Sc1nc(CC(=O)N[C@H](C)c2ccccc2O)cs1)C(N)=O	1454805541	LNAMBEJHJDYSNH-NXEZZACHSA-N	365.480	2.235	10	10	FECE	
C[C@H](NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C1CC1	2136260835	GQZKOTGGWCVOQC-FZMZJTMJSA-N	364.442	2.448	10	10	FECE	
C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H](C)O1	1463861330	OXHICVXZODLIEF-BETUJISGSA-N	361.446	2.467	10	10	FECE	
CCOCc1nnc(N(C)Cc2ccccc2O)n1CCN1CC=CCC1	1548085422	MBNAARCNNLITAC-UHFFFAOYSA-N	371.485	2.419	10	10	FECE	
CN(C)CCn1cc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cn1	1628955066	ZEJQBMVAUOCIQI-UHFFFAOYSA-N	355.486	2.317	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1ccnc(F)c1	1632701875	POZZSWPBEXLKQD-UHFFFAOYSA-N	366.776	2.324	10	10	FECE	
Cn1cc([C@@H]2C[C@H](NC(=O)c3ccc(N=NC(N)=O)cc3)CCO2)cn1	1569692046	CFIBLIDDBNVMKH-CABCVRRESA-N	356.386	2.233	10	10	FECE	
O=C(CNC(=O)c1cc(F)cc(F)c1)NCc1ccc2cccnc2c1O	1570533871	UKSWENSAQIVWCD-UHFFFAOYSA-N	371.343	2.265	10	10	FECE	
C[C@H](NCc1cc(Br)cc(F)c1O)[C@@H](C)S(C)(=O)=O	1970409929	OXUNFXOQPYOLKW-JGVFFNPUSA-N	354.241	2.205	10	10	FECE	
C[C@@H](NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C)c1ccc(O)cc1O	394426008	RHRCTRQOACBQAY-KGLIPLIRSA-N	365.474	2.300	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@@H](CNC(=O)OC(C)(C)C)C1CCOCC1	2060612864	LCSMQULUMZDKJJ-ZDUSSCGKSA-N	355.439	2.323	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)N(C)CCCN=[N+]=[N-]	2060611530	VHDMJGOMHQKFKZ-QWHCGFSZSA-N	355.439	2.417	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@@H](CNC(=O)Nc2ccc(N)cc2)CO1	2106289879	HTDXYRHHYJUOLF-SWLSCSKDSA-N	364.446	2.320	10	10	FECE	
CN1CCc2cc([C@H](N)c3cnn(C)c3I)ccc21	2106856193	WSNOWSUQVKFNMS-ZDUSSCGKSA-N	368.222	2.065	10	10	FECE	
NC(=O)C1(NCc2cccc(F)c2O)CCN(Cc2ccccc2)CC1	2098248084	OSZZYXALIKCUPB-UHFFFAOYSA-N	357.429	2.141	10	10	FECE	
C[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCCN1C(=O)OC(C)(C)C	2224789894	VMOXJOKCKYHPLL-LLVKDONJSA-N	366.414	2.275	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)NCCCN=[N+]=[N-])C[C@H]2OCCC[C@H]21	2260007439	ZHPAEXUXRIWLLS-XHBSWPGZSA-N	353.423	2.265	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1CCC[C@H](NC(=O)C(F)(F)F)CC1	2286103007	CSIIPPPCFXCBNI-YPMHNXCESA-N	372.391	2.129	10	10	FECE	
O=C1NC(=S)N(CCC2=CCCCC2)C(=O)C1=CNCc1cccnc1	2296935787	GIPWOJMWKWMDPY-UHFFFAOYSA-N	370.478	2.189	10	10	FECE	
O=C(O)C=Cc1ccc(O)c2c1[C@@H](C(=O)O)[C@@H](c1ccc(O)c(O)c1)O2	2297749132	GJHXGOBGPWPCCK-HZPDHXFCSA-N	358.302	2.203	10	10	FECE	
CCOc1cccc(C=C2SC(=S)N(CCNC(C)=O)C2=O)c1	2323719939	USUHPDDYOHJQPD-UHFFFAOYSA-N	350.465	2.423	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2310284065	KFTMAXNZHSRFAA-XQQFMLRXSA-N	353.423	2.048	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)cn1	2337777528	TYWFXGRUZATXSO-UHFFFAOYSA-N	363.422	2.447	10	10	FECE	
COCCN1CCC(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CC1	126914808	XKCALWZUOYIKMR-UHFFFAOYSA-N	372.513	2.220	10	10	FECE	
CCn1nccc1N1CCC[C@H](N[C@@H](C)c2cc(OC)ccc2O)C1=O	188578687	XTXIKZVGKLKZKK-BBRMVZONSA-N	358.442	2.463	10	10	FECE	
COc1cc(Br)cc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)c1O	245779054	TXUWSAPPSDFVOX-RYUDHWBXSA-N	373.291	2.050	10	10	FECE	
CC[C@@H](C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)C(=O)OC	276810355	FPLULTKURYLZCD-GUTXKFCHSA-N	366.433	2.255	10	10	FECE	
COc1coc(C(=O)NCc2cc(Br)ccc2O)cc1=O	804735153	NDKSBCRLHWEIPF-UHFFFAOYSA-N	354.156	2.047	10	10	FECE	
C[C@H](NC(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(N(C)C)cc1	805308235	CSDQBYMXJFARGJ-STQMWFEESA-N	353.488	2.079	10	10	FECE	
COc1ccc(O)c(CNC(=O)NC/C=C/CNC(=O)OC(C)(C)C)c1	812044203	WMJUTRHDMITXGZ-AATRIKPKSA-N	365.430	2.281	10	10	FECE	
Cc1cc([C@@H]2CN(C(=O)C(=O)Nc3ccc(N)cc3)CCO2)ccc1F	841076761	ONZJBDMPCAOVFE-KRWDZBQOSA-N	357.385	2.255	10	10	FECE	
CC(C)(C)OC(=O)[C@H](Cc1ccncc1)NC(=O)c1cccc(O)c1O	848364043	MIXHCGUOEQRZIN-AWEZNQCLSA-N	358.394	2.176	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H]1CN1CCOCC1	745827382	GFHWDEMJHFUKQB-LJQANCHMSA-N	360.502	2.067	10	10	FECE	
CCc1csc(NC(=O)C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)n1	850538197	WOXHLEMBGDWMAT-CYBMUJFWSA-N	374.466	2.048	10	10	FECE	
CCCN(C)CC(C)(C)NC(=O)NCc1ccc(N2CCOCC2)cc1	853474966	VHYHRLUSVOYRPZ-UHFFFAOYSA-N	362.518	2.443	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](c4noc(C)n4)C3)C2)cc1	923185840	QDKAFMNZKGHOAN-GJZGRUSLSA-N	371.441	2.164	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)c2nnc(O)n2C)cc1	926131690	APHVZHPIZKKZER-ZDUSSCGKSA-N	360.462	2.270	10	10	FECE	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2Cc3ccccc3N(C)C2=O)c1	850500796	KDUVHOSFSDWXQP-WBMJQRKESA-N	354.406	2.417	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cc4c(nc3O)CCC4)C2)cc1	855233526	ZOIPZQMMQNVROU-AWEZNQCLSA-N	353.422	2.293	10	10	FECE	
c1cc(N2CCOCC2)ccc1CN1CCC[C@H](NC2CCOCC2)C1	931649869	DQABWHBIQSTQFA-FQEVSTJZSA-N	359.514	2.256	10	10	FECE	
CC(C)[C@@H]1NC(=O)N(Cc2ccc(N3CCN(CC4CC4)CC3)cc2)C1=O	777672570	AAFYCTBWBZMFAM-IBGZPJMESA-N	370.497	2.295	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@@]34CCCN(CC3)C4)cc2F)CC1	896223677	WEXPOIWQMNKOQN-NRFANRHFSA-N	374.504	2.070	10	10	FECE	
C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1cc2cc(O)c(O)cc2s1	897734517	HHBCWWJGUOSFCK-WCQYABFASA-N	362.451	2.248	10	10	FECE	
Cc1cccc(NC(=O)N2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)c1	1136516404	XGKSHKMBIDTCON-UHFFFAOYSA-N	369.421	2.325	10	10	FECE	
CC(C)Cn1nc(C(=O)NCc2c(O)cccc2O)c2ccccc2c1=O	1156880773	ANCHPUNTNJKMAW-UHFFFAOYSA-N	367.405	2.394	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1	1178912605	VBTULCSEYRCIQA-MRXNPFEDSA-N	368.433	2.195	10	10	FECE	
CCCNC(=O)Nc1ccc(CC(=O)NCc2cccc(O)c2O)cc1	1176565592	LTJMMMXRYBCMSN-UHFFFAOYSA-N	357.410	2.488	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2124533375	PAXOSJXVSIUMKM-KGLIPLIRSA-N	367.450	2.417	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)N3CCC(CN=[N+]=[N-])CC3)[C@H]21	2124511513	GUFUBPRRZLCNJQ-MGPQQGTHSA-N	365.434	2.170	10	10	FECE	
CCN(C(=O)C1=C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1cccc(O)c1	2131518307	AMWIIAUGILNHNB-HZPDHXFCSA-N	362.426	2.329	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc(O)c(O)c(O)c1	2132404008	OJSCNWSEZCUKAF-JQWIXIFHSA-N	366.414	2.321	10	10	FECE	
Cc1cc(C)cc(N2CC[C@H](C(=O)NCc3cccc(O)c3O)C2=O)c1	1350300563	SSGLBJPMRRVZAR-MRXNPFEDSA-N	354.406	2.384	10	10	FECE	
Cc1cc(CC(=O)Nn2ccc(O)nc2=O)c(C)n1-c1ccc(Cl)cc1	1557734390	BUMLUALRCJKXFC-UHFFFAOYSA-N	372.812	2.323	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(-c2ccccn2)n1CC1(O)CC1	1768681684	MDKZWPORCLILAI-UHFFFAOYSA-N	351.410	2.207	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1CCCCCS(C)(=O)=O	1693459741	VKBQXUCWOOFVGI-UHFFFAOYSA-N	366.487	2.143	10	10	FECE	
COC[C@H](C)N[C@@H]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1	1691955277	OHSNQIIUKMDVTM-HEHGZKQESA-N	361.446	2.372	10	10	FECE	
CCCCS(=O)(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C	169814149	KTBMHFHCCRIFSU-MRXNPFEDSA-N	350.488	2.295	10	10	FECE	
Cc1cc(C)cc(N2C[C@@H](C(=O)NCCc3ccc(O)c(O)c3)CC2=O)c1	1860312876	JUJZLRRWCDAARH-INIZCTEOSA-N	368.433	2.426	10	10	FECE	
C[C@H](C(=O)O)[C@@H](C)C(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C	1866262714	ZDLHMFWMIAUEEM-DVOMOZLQSA-N	358.442	2.049	10	10	FECE	
COC1CC(C(=O)NCc2ccccc2O)(N(C)C(=O)OC(C)(C)C)C1	1964890158	QKOUCUWPLFMSLX-UHFFFAOYSA-N	364.442	2.423	10	10	FECE	
[N-]=[N+]=NCCCN[C@H](C(N)=O)c1ccc(I)cc1	311033111	XQXAUEAEDIFVTA-JTQLQIEISA-N	359.171	2.108	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1Nc1c(N)cccc1C(=O)O	2046526012	VZKAVWLUMQHVRN-OLZOCXBDSA-N	351.403	2.061	10	10	FECE	
C[C@H](NC(=O)c1ccc(O)c(O)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1	2054411975	DLEZVINPWORBMR-AAEUAGOBSA-N	350.415	2.473	10	10	FECE	
CC(C)(C)OC(=O)N[C@](C)(CC(F)(F)F)C(=O)C(=O)C[C@H]1C[C@H](N)C1	2054755818	XKRQZLHIZWNFDI-IQMDTDKHSA-N	366.380	2.488	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@H]1CC(=O)C(=O)C[C@H]1C[C@H](N)C1	2056896584	OMYCICLVPLORNZ-YYFQZIEXSA-N	350.459	2.430	10	10	FECE	
CCCN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)N1CC(N=[N+]=[N-])C1	2060611402	SVSCWNYXKBCQRT-OLZOCXBDSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CC[C@@H](N=[N+]=[N-])C2)OCC12CC2	2064049124	CDVATCPVCALKEF-NEPJUHHUSA-N	351.407	2.066	10	10	FECE	
CO[C@H](C(=O)N1CC(N=[N+]=[N-])C1)C1CCN(C(=O)OC(C)(C)C)CC1	2067704492	DHIHKWRLYRGGPD-ZDUSSCGKSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N1CC(N(Cc2cc(N)ccc2O)[C@H]2CCOC2)C1	2106748890	XCALHNNZMNGBGW-HNNXBMFYSA-N	363.458	2.185	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](CNCc2ccc(O)cc2O)C[C@@H]2OCC[C@@H]21	2090473710	RZBBXIGGFHGZAJ-QRTARXTBSA-N	364.442	2.354	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@H](N=[N+]=[N-])C2)C[C@@H]2OCCC[C@@H]21	2272773471	KZBWWSNNNRQPJW-NEULZYRMSA-N	365.434	2.360	10	10	FECE	
O=C1NC(=O)N(C2CCCCCC2)C(=O)C1=CNc1cccc(C(=O)O)c1	2296938379	DYRYHPXJGULUBB-UHFFFAOYSA-N	371.393	2.482	10	10	FECE	
COc1ccc(N2CCN(C(=O)C=Cc3cncc(O)c3)CC2)cc1F	2308034108	KDZMPUMKIASWDL-UHFFFAOYSA-N	357.385	2.297	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2331230365	KUEPENIRMSBLQU-BFHYXJOUSA-N	367.450	2.438	10	10	FECE	
C[C@H](O)CN1CCC(CN(C)Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	179515966	NTLUDPYHUCCDBX-LBPRGKRZSA-N	371.865	2.478	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1F	119665333	WCPGKQMHTOOKBC-HOCLYGCPSA-N	362.449	2.092	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)Nc3nccs3)cc2)CC1	191784030	OWECXKSVWBBOEH-UHFFFAOYSA-N	359.455	2.133	10	10	FECE	
CC(=O)N(C(=S)Nc1cccc(S(=O)(=O)O)c1)c1ccc(N)cc1	243113793	JGCNNJCPUQVLQV-UHFFFAOYSA-N	365.436	2.265	10	10	FECE	
N[C@@H]1C(=O)Nc2cc(N3CCCCC[C@H]3CO)c(Br)cc21	253170224	FYICSFNLZMGWDJ-XPTSAGLGSA-N	354.248	2.142	10	10	FECE	
CCN1CC[C@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1=O	802532080	HFIWZFVTQZJWNX-SFHVURJKSA-N	358.486	2.439	10	10	FECE	
CCOc1cccc(CN[C@H](C(=O)OCc2ccccc2)[C@H](C)O)c1O	293993365	SHAFURSKJOGGHW-KSSFIOAISA-N	359.422	2.373	10	10	FECE	
COc1c(C(=O)NCc2cc(Br)ccc2O)c(C)nn1C	804736653	XDPPNOGNIIZYFE-UHFFFAOYSA-N	354.204	2.135	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c2ncnn21	820004926	KTPHBGSYBNXFHL-FVQBIDKESA-N	371.441	2.380	10	10	FECE	
O=[N+]([O-])c1cc(Cl)cc(CN2CCS(=O)(=O)[C@H]3CCC[C@H]32)c1O	825202893	WKNKBZWRDCSZRN-YPMHNXCESA-N	360.819	2.105	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)COCc3nccn3C)cc2)CC1	826862340	ZLVPDNVCCWDULF-UHFFFAOYSA-N	356.470	2.489	10	10	FECE	
CN(Cc1ccc[nH]1)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	838747259	QHUFRVRMYJXRKY-UHFFFAOYSA-N	364.396	2.471	10	10	FECE	
CCC/C=C/[C@@H](O)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	909855091	BAAYQFOGACKZGL-DWTRPJMMSA-N	354.397	2.135	10	10	FECE	
COc1cc2c(c(OC)c1)N(C[C@H]1CCCN(S(C)(=O)=O)C1)CCC2	839656397	JZARUFUHSAUPLD-CQSZACIVSA-N	368.499	2.128	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCCN(CC(=O)N3CCCC3)CC2)cc1	835026179	RPTLZSKWXWAMLZ-ALCCZGGFSA-N	370.541	2.396	10	10	FECE	
COc1ccc(N2CC[C@H](N[C@@H](Cc3ccc(F)cc3)C(N)=O)C2)cc1	849323149	WGJNCJRXZOQXNA-LPHOPBHVSA-N	357.429	2.099	10	10	FECE	
COc1cc(Br)cc(CN[C@H]2CNCCC2(F)F)c1O	841074143	BVSUKAYPBZGARO-NSHDSACASA-N	351.191	2.250	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N(CCO)Cc3ccccc3)C2)cc1	854302498	LNXWKEGZLORAQT-GOSISDBHSA-N	369.465	2.478	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN3C[C@H]4CCCC[C@@H]4C3)CC2)cc1	750060446	BOUXRYUPEHDPFH-QZTJIDSGSA-N	357.498	2.466	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N(C)CCN(C)C(=O)OC)cc1	851988508	ZWOHJMBNGZCSGW-UHFFFAOYSA-N	350.463	2.372	10	10	FECE	
CO[C@@H]1CCC[C@@H]([C@@H](CO)NC(=O)NCCCSc2nccs2)C1	853854572	BUEUQIUDGMLJNP-MGPQQGTHSA-N	373.544	2.491	10	10	FECE	
C[C@@H](NC(=O)C(=O)N[C@H]1CCc2cc(N)ccc21)c1ccc(N(C)C)cc1	851687201	ZMNDFDMCFCVGPO-YJYMSZOUSA-N	366.465	2.316	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@@]3(OC)CCSC3)C2)cc1	923187639	ZGKUJSBYVGRIEO-KDOFPFPSSA-N	365.499	2.095	10	10	FECE	
C[C@@H](NC[C@H]1CN(Cc2ccncc2)CCO1)c1cc([N+](=O)[O-])ccc1O	858565469	QKGSQKKOYRWKLP-PBHICJAKSA-N	372.425	2.247	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCO[C@@](C)(C2CC2)C1	850626363	SLXCCIOASLUNAD-HXUWFJFHSA-N	360.454	2.158	10	10	FECE	
COc1ccc(N2CC[C@@H](CN3C(=O)N4C5CCC4(CC5)C3=O)C2)cc1	865311173	FNPSDNGJISBNKR-PCVOSPCESA-N	355.438	2.481	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC1(N)CCOCC1	861669824	DXDYLIIJULGKOY-UHFFFAOYSA-N	360.502	2.326	10	10	FECE	
Fc1cc(CN[C@@H]2CCO[C@@]3(CCOC3)C2)ccc1N1CCOCC1	770751766	BKOUBGPMABQAGO-APWZRJJASA-N	350.434	2.090	10	10	FECE	
C[C@@H](NC(=O)N1CCOCC2(CC2)C1)c1ccc(N2CCOCC2)cc1	782715720	JWMRXGNTFJRBFZ-MRXNPFEDSA-N	359.470	2.406	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(N2CCOCC2)CC1	898798423	DUSPSYCHRJMLIJ-UHFFFAOYSA-N	362.451	2.249	10	10	FECE	
CCc1ccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)cc1C(=O)O	797820270	ONZRPUMVIXMZNL-UHFFFAOYSA-N	351.380	2.462	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNCc2ccc3c(c2)CCO3)C[C@@H]1O	2116202042	HNWBOYOCWDIJKZ-UAGQMJEPSA-N	362.470	2.375	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CC(NC(=O)c3ccc(O)c(O)c3)C[C@@H]2C1	2118190630	VVXBPZCZRVJXNT-CHWSQXEVSA-N	362.426	2.473	10	10	FECE	
CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2124517724	ONSCJGNGLXDKRY-MGPQQGTHSA-N	367.450	2.417	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)/C=C/COC3CCOCC3)CC2)cc1	1329378505	NBNPAFVNLVHPOJ-ONEGZZNKSA-N	374.481	2.486	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](CO)(NCc2ccc3c(c2)CCCO3)C1	2133750198	RHTUDUWDFFYYJA-FQEVSTJZSA-N	362.470	2.473	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1	1536551201	YLJRLHMBJFGOAC-KUHUBIRLSA-N	369.469	2.035	10	10	FECE	
CN1C[C@@H]2CCCN(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)[C@@H]2C1	1479535031	RIGAPOMRYCIJOL-DFQSSKMNSA-N	373.545	2.091	10	10	FECE	
CCOC(=O)[C@@H](C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1)C(C)C	1622579279	VLABTBJZZIYJSK-QGZVFWFLSA-N	366.433	2.318	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(C(=O)OC(C)(C)C)n[nH]1	1633819307	QEIXBPLXIBBQBL-JTQLQIEISA-N	361.398	2.137	10	10	FECE	
COc1ncc(NC(=O)c2cc3cc(O)c(O)cc3s2)cc1C(N)=O	1566378625	RXLPXCZETIRHLW-UHFFFAOYSA-N	359.363	2.067	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCN2C2CCCC2)N(C)C)cc1	1648477843	GVZMIYYYNPYJIN-VQTJNVASSA-N	358.530	2.488	10	10	FECE	
COC(=O)c1cc(C(=O)NCc2cc(O)ccc2O)n(-c2ccccc2)n1	1651223165	YCKQXUYJKSPORT-UHFFFAOYSA-N	367.361	2.000	10	10	FECE	
CON(C)c1nnc(C(=O)NC(C)C)n1CCCSc1nccs1	1698260986	ZNIHIGMSUCVUNK-UHFFFAOYSA-N	370.504	2.053	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)cc1F	1117133385	CHWVDMNETVIDLY-WBVHZDCISA-N	373.403	2.319	10	10	FECE	
O=C(CCNC(=O)OCc1ccccc1)NCCc1ccc(O)c(O)c1	1963567958	UJQVJFTYYZAZIL-UHFFFAOYSA-N	358.394	2.073	10	10	FECE	
O=C(O)[C@@H]1CN(Cc2cc(Br)cc(F)c2O)CC1(F)F	715792106	OEPGKRUOHQCATB-QMMMGPOBSA-N	354.122	2.446	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)Cc1ccc(N)cc1	2044598462	SDOPAAKPDLXFRC-DOMZBBRYSA-N	369.487	2.086	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](OCCNCc2cccc(O)c2O)C1	2046755114	VCHIEMDVCPQCRO-CQSZACIVSA-N	352.431	2.213	10	10	FECE	
CC(C)(C)OC(=O)N(CCO)CC(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2060608209	DXQWFPRHNIJAMX-ZDUSSCGKSA-N	355.439	2.155	10	10	FECE	
CC(C)(C)OC(=O)NC1(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])CCOCC1	2060636531	YVNUCVGDIHZALD-GFCCVEGCSA-N	353.423	2.362	10	10	FECE	
CC(C)(C)OC(=O)NCC12COC(C(=O)NCCCCN=[N+]=[N-])(C1)C2	2086119234	VKXOVPKDEHPOIU-UHFFFAOYSA-N	353.423	2.267	10	10	FECE	
CN(CC(=O)N(C)c1ccc(N)cc1)C[C@H]1CCN1C(=O)OC(C)(C)C	2106742290	LNNOZHUPNDVZPT-MRXNPFEDSA-N	362.474	2.173	10	10	FECE	
COc1ccc(N(CCO)C[C@H]2CCCN2C(=O)OC(C)(C)C)c(N)c1	2106817716	FQWRPCXMDMPMTA-CQSZACIVSA-N	365.474	2.476	10	10	FECE	
CO[C@H]1[C@H](CNCc2ccccc2O)N(C(=O)OC(C)(C)C)C[C@H]1OC	2264762771	NSNXWTVEVHBBTR-UAGQMJEPSA-N	366.458	2.131	10	10	FECE	
COc1ccc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(OC)c1	2294353276	UURWJFSGTLDGQK-UHFFFAOYSA-N	358.394	2.498	10	10	FECE	
Nc1ccc(OCCC(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)cc1	2286111823	ATXRBCLABZTNOM-CYBMUJFWSA-N	373.375	2.097	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@H]1C[C@@H]2OCC[C@@H]2N1C(=O)OC(C)(C)C	2315992883	SQEGYAONSGKTSM-XQQFMLRXSA-N	353.423	2.312	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3CCN(C4CC4)CC3)CC2)cc1	105228503	PGZGTDNGAIKCBT-UHFFFAOYSA-N	358.486	2.154	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)Nc1cccc2c1C(=O)NC2	108771240	JYLINLGDCMJXBV-RMKNXTFCSA-N	363.417	2.419	10	10	FECE	
CN[C@H]1C(=O)Nc2cc(N3CCC(OC)CC3)c(Br)cc21	118711589	SMQGRRHQDOQZEJ-CQSZACIVSA-N	354.248	2.277	10	10	FECE	
CN(Cc1ccccc1O)C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1	120230395	ZEBQFFGAHRSHIP-FMIVXFBMSA-N	360.435	2.436	10	10	FECE	
C[C@@H](C(F)(F)F)S(=O)(=O)N(C)Cc1ccc(N2CCOCC2)cc1	182349920	WHCOOOMJOFASMX-LBPRGKRZSA-N	366.405	2.236	10	10	FECE	
COCC1CCN(c2cc3c(cc2Br)[C@@H](N)C(=O)N3)CC1	92775960	IOMUDYDWJREOJH-CQSZACIVSA-N	354.248	2.264	10	10	FECE	
CCCCN(CCC(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)=O	243277507	KYOYRTUROQOXGT-UHFFFAOYSA-N	361.486	2.383	10	10	FECE	
COC(=O)C1(NC(=O)/C=C\c2ccc(N3CCOCC3)cc2)CCCC1	255302885	SUNHLEATDIWKFM-TWGQIWQCSA-N	358.438	2.138	10	10	FECE	
O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H](n1cccn1)C(F)(F)F	530199459	MCYMNFYUWFFGSJ-CYBMUJFWSA-N	368.315	2.157	10	10	FECE	
CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@]2(CCOC2)O1	376020568	GREXCEVUSODMMG-GUYCJALGSA-N	352.387	2.079	10	10	FECE	
Cc1c(CNC(=O)NCc2cc(Br)ccc2O)cnn1C	805233900	OQVDAMPDCBVKFW-UHFFFAOYSA-N	353.220	2.196	10	10	FECE	
CCn1ccnc1CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	298273982	BLHDMTSSEGGPIO-UHFFFAOYSA-N	357.458	2.081	10	10	FECE	
C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)CC1=O	817958966	NUSAENOCFZPAQP-XFJVYGCCSA-N	370.478	2.055	10	10	FECE	
Cc1cc(=O)n2nc(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)[nH]c2n1	726376812	DDIMBBHBOHKFDI-UHFFFAOYSA-N	362.393	2.386	10	10	FECE	
COC(=O)[C@@]12CCOC[C@@H]1CN(Cc1ccc(Br)cc1O)C2	825748753	IGXKMPJTRDLLTO-BLLLJJGKSA-N	370.243	2.166	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)c2cscn2)cc1	827164871	RDWAENDXFOUZKZ-ZDUSSCGKSA-N	360.483	2.483	10	10	FECE	
C[C@H](c1cnn(C)c1)N(C)C(=O)/C=C\c1ccc(N2CCOCC2)cc1	588390753	XXLFGKFPJANPAC-CXOKCQFOSA-N	354.454	2.490	10	10	FECE	
CC[C@H](O)CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	822582026	PDUHEZSYIJBJCN-AWEZNQCLSA-N	360.376	2.319	10	10	FECE	
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1cccc(Br)c1O	907758030	LNMJBOIPDOUAGQ-WDEREUQCSA-N	356.216	2.360	10	10	FECE	
CN(C)c1ccc(CNS(=O)(=O)c2ccnn2C2CCC2)cc1F	914013926	HARVDNBFMFYUBV-UHFFFAOYSA-N	352.435	2.292	10	10	FECE	
O=C(O)/C=C/c1ccc(N2CCN(c3ccncc3)CC2)c([N+](=O)[O-])c1	746989663	PPRIFXUIIBGDTP-DUXPYHPUSA-N	354.366	2.414	10	10	FECE	
Nc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2CC2CCCCC2)cc1	841032723	FOCSDWMCCPPRNG-SFHVURJKSA-N	358.486	2.368	10	10	FECE	
COc1ccc(N2CCC(NC(=O)NC3CCC(C(N)=O)CC3)CC2)cc1	747587019	RPGHHTMFZFDDHG-UHFFFAOYSA-N	374.485	2.007	10	10	FECE	
Cc1cc(N2CCC[C@H](NC(=O)NCc3c(O)cccc3F)C2)n(C)n1	922216154	UEZSZGIKDXLNAE-ZDUSSCGKSA-N	361.421	2.041	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c([N+](=O)[O-])c1	858793451	GBQLXVYLPAFGMP-SHHBCTMGSA-N	364.423	2.271	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCc2c(cccc2C(N)=O)C1	853748623	HZOUNLGUSCIAPU-UHFFFAOYSA-N	366.465	2.428	10	10	FECE	
CC(C)C(=O)N1CCN(C(=O)NCCCSc2nccs2)CC1	759590146	MLLRLTRPUINJHU-UHFFFAOYSA-N	356.517	2.135	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3C[C@H]4CC[C@@H](C4)C3)cc2)C1	853464918	XYAREDZQXBWKSC-OKZBNKHCSA-N	370.497	2.330	10	10	FECE	
C[C@@H](NC(=O)C(=O)N1CCC(c2ccon2)CC1)c1ccc(N(C)C)cc1	1118631426	JWWYVGACHHEFPM-CQSZACIVSA-N	370.453	2.324	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC[C@H]2CCNC2=O)C1	774707133	WIROQOIRRDNMSY-OAHLLOKOSA-N	369.465	2.087	10	10	FECE	
C[S@@](=O)c1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1	770220114	BLCLQDXATQXSQD-RUZDIDTESA-N	358.463	2.191	10	10	FECE	
COc1cc(Br)cc(CN2C[C@@H](O)CC(F)(F)C2)c1O	787437743	CCBVTRXDTCJZMS-JTQLQIEISA-N	352.175	2.365	10	10	FECE	
Cc1cc(C(F)F)n(CC(=O)NCc2ccc(N3CCOCC3)cc2)n1	1136396643	CIHUJOOODQZROD-UHFFFAOYSA-N	364.396	2.282	10	10	FECE	
CON(C)c1nnc(C(C)C)n1Cc1ccc(N2CCOCC2)c(F)c1	1302328253	HKODYJDWEDTHGQ-UHFFFAOYSA-N	363.437	2.423	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1coc(Sc2ncccn2)n1	1154027610	XDXSYRONSOOLME-SNVBAGLBSA-N	372.406	2.388	10	10	FECE	
O=C(NCc1c(O)cccc1F)N[C@@H]1CCN(c2ccc(F)cc2)C1=O	1230130784	RNOUSBMRDFWPKE-OAHLLOKOSA-N	361.348	2.275	10	10	FECE	
C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F)c1ccccc1O	1171731177	ZVPFSGODGOBCCF-NSHDSACASA-N	366.414	2.273	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3cccc(O)c3O)C[C@@]2(C)C1	2118165305	ZLUUDPVKAYXCEU-BLVKFPJESA-N	362.426	2.427	10	10	FECE	
COc1ccc(CN[C@@H]2CCO[C@@](C)(C(=O)O)C2)cc1Cn1cccn1	1353962685	FJUGXBJPTAEIDK-VQIMIIECSA-N	359.426	2.052	10	10	FECE	
COc1ccc(CNC(=O)/C=C/C(=O)NCc2ccc(N(C)C)cc2)cc1	1440642703	AAIBXLVNWQEOKS-OUKQBFOZSA-N	367.449	2.250	10	10	FECE	
COc1ccc(CNCC2(O)CCN(C(=O)OC(C)(C)C)CC2)c(O)c1	1918912168	IVMTYTWEOIDUKB-UHFFFAOYSA-N	366.458	2.252	10	10	FECE	
COCCNc1nc(CC(=O)NCc2ccc(N(C)C)cc2C)cs1	1627689545	MTBKFSUZLDBGCC-UHFFFAOYSA-N	362.499	2.435	10	10	FECE	
CCCN(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(N=NC(N)=O)cc1	1626399173	VBZOTTPGKSEIOD-CYBMUJFWSA-N	363.443	2.233	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc2c(nc1O)CCC[C@@H]2O	1627028585	JRRADLYVGNHDAZ-AWEZNQCLSA-N	363.410	2.278	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1[nH]nc([N+](=O)[O-])c1Cl	1566007692	HDUBYNVQZREMPY-UHFFFAOYSA-N	351.750	2.077	10	10	FECE	
O=C(NCc1cccnc1O)NCc1cccc(Br)c1O	1637423978	IUEFWPRWWTVXHO-UHFFFAOYSA-N	352.188	2.255	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNc3ncc([N+](=O)[O-])cc3F)cc2)CC1	1643194285	WGPRWTHIJMANHO-UHFFFAOYSA-N	373.388	2.443	10	10	FECE	
C[C@H](c1cc(Br)ccc1O)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1	2145072851	VASOITXIUCEOIR-ISTVAULSSA-N	360.273	2.335	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060615710	RLHOJHVCCUGDRP-AVGNSLFASA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)N2CC[C@H](N=[N+]=[N-])C2)C1	2060640618	WVLOIYOTHBGOKC-QWHCGFSZSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1CC(=O)NCC1(CN=[N+]=[N-])CC1	2067675921	CAOZPCBGIDLGLP-VXGBXAGGSA-N	353.423	2.123	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H](CNC(=O)Nc2ccc(N)cc2)C1	2106290446	OXQXJLHMZNHTBB-ZDUSSCGKSA-N	364.446	2.274	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](NC(=O)COc2ccc(N)cc2)C1	2106256562	XDECAEYMIJEINY-QGGXVJLZSA-N	367.421	2.159	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@H]4C[C@@]4(CO)C3)ccc(N)c2C1	2090120161	VQBQDZBZLUDVKC-XCLFUZPHSA-N	359.470	2.381	10	10	FECE	
O=C(O)[C@@H]1C[C@H](O)CN(Cc2cc(Cl)cc(Br)c2O)C1	2201044307	MCYLDBQVXFHWFA-SCZZXKLOSA-N	364.623	2.076	10	10	FECE	
COc1ccc(N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c(F)c1F	2219771330	MYVQPRMXVZAVKE-WDEREUQCSA-N	358.385	2.438	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1CNC(=O)CCOc1ccc(N)cc1	2271980398	MJJHJJBICUNBJG-CJNGLKHVSA-N	363.458	2.457	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H]2OCCC[C@H]21	2260006210	PMFDZZSOZINHDG-HSMVNMDESA-N	353.423	2.218	10	10	FECE	
C[C@H](NC(=O)[C@@H]1CC[C@@H](O)CN1C(=O)OC(C)(C)C)c1ccccc1O	2264610639	XUQWDAKQDCFZAE-GUTXKFCHSA-N	364.442	2.330	10	10	FECE	
Cc1ccc(O)c(CNC[C@@H]2CN(C(=O)OC(C)(C)C)[C@H]3CCN2C3)c1	2342883082	CEBPVLQGRLFMND-DLBZAZTESA-N	361.486	2.484	10	10	FECE	
Cc1noc(COCC(=O)N(Cc2ccco2)Cc2ccccc2O)n1	173673938	ZSTCEBJJTHXXPX-UHFFFAOYSA-N	357.366	2.422	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CSC(=O)N1	120991387	IMGRQRTYDWUNFF-JTQLQIEISA-N	359.245	2.328	10	10	FECE	
CSc1cccc(-n2c(C)cc(C(=O)CN3C[C@H](O)C[C@@H]3CO)c2C)c1	184725833	QKWIALZJRNAUSO-IAGOWNOFSA-N	374.506	2.426	10	10	FECE	
CN1CCCc2cc(CNC(=O)N[C@@H]3CCCCC[C@@H]3C(N)=O)ccc21	131349693	VSEYRSGWAMJHKF-DLBZAZTESA-N	358.486	2.302	10	10	FECE	
CO[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	191258489	FOVILHVSILDTOI-HUUCEWRRSA-N	351.422	2.029	10	10	FECE	
COc1ccc(N2CCN(CCN[C@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@H]34)CC2)cc1	902775348	UWBNTXHVYIYMEH-RTOMLYRKSA-N	371.525	2.220	10	10	FECE	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CC(C2CC2)C1	838739802	PJWOPONZLMXILG-UHFFFAOYSA-N	351.397	2.353	10	10	FECE	
O=C(O)c1cnn2c(O)cc(CN3CCSC[C@@H]3c3ccccc3)nc12	738702179	GITKVSRXCUTNBQ-OAHLLOKOSA-N	370.434	2.423	10	10	FECE	
COCc1nc([C@H]2COCCN2C/C=C/c2ccc(N(C)C)cc2)no1	835043960	DQCAGJXVJQURKA-LAQIPUCWSA-N	358.442	2.369	10	10	FECE	
C[C@H](N)[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	841710373	SLJDSXWJCRAYJI-NWDGAFQWSA-N	374.407	2.077	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)CC(F)(F)CN	846672199	LGKFSJXGFUTRPV-UHFFFAOYSA-N	351.191	2.487	10	10	FECE	
Cc1cc(C(=O)N2CCC[C@H]3CCNC(=O)[C@H]32)c(C)n1-c1ccccn1	922463712	SYQIALGOQPHAHP-YJBOKZPZSA-N	352.438	2.230	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)c3nnc(C)s3)C2)cc1	852252425	GVFYQOMGMVINMI-YPMHNXCESA-N	361.471	2.494	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3nnc(O)c4ccccc34)C2)cc1	855234716	KQZMRCXUZIQUJE-ZDUSSCGKSA-N	364.405	2.353	10	10	FECE	
O=C(CCNC(=O)N1CCc2ccccc2C1)NCc1c(O)cccc1F	928704563	CBQINVLFGROVRD-UHFFFAOYSA-N	371.412	2.306	10	10	FECE	
COC(=O)CCCCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	851938863	ZYQZDZJPBHWNCH-HNNXBMFYSA-N	363.458	2.307	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](C)Cn3cccn3)C2)cc1	851992506	MOGOHQRXYMZABA-HZPDHXFCSA-N	357.458	2.106	10	10	FECE	
COC(=O)c1ccc(N2CCN(c3ccc(OC)cc3)CC2)nc1OC	775405971	HNGYYWJZTSIFDY-UHFFFAOYSA-N	357.410	2.212	10	10	FECE	
COCCN(Cc1cc(Cl)cc([N+](=O)[O-])c1O)Cc1ccnn1C	787333029	URKARWWNBAUGSF-UHFFFAOYSA-N	354.794	2.336	10	10	FECE	
CNCc1ccc(N(C)C[C@@H]2CCCS2(=O)=O)cc1Br	694114426	ZKSHTURDVCUMDM-ZDUSSCGKSA-N	361.305	2.182	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)C(C)(C)N3CCCCC3)cc2)CC1	1153442849	CHZUZTMEAQUINN-UHFFFAOYSA-N	358.530	2.319	10	10	FECE	
C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO)c1cc(O)ccc1O	2116276207	ZNXXXSJOHZOOCA-ZENOOKHLSA-N	366.458	2.366	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1)C1(O)CCC1	2131457271	NNMAPMSKMMQTBJ-STQMWFEESA-N	367.450	2.344	10	10	FECE	
CCO[C@H](C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)C(C)C	1331571553	ZHYBHXHHIXQOGZ-SFHVURJKSA-N	361.486	2.066	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2cc3ncc(Br)cn3n2)cc1	1348909492	JDHBWKBPFJKOOM-UHFFFAOYSA-N	374.242	2.488	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1C[C@H]2CC[C@H]1O2	1623928938	SHKKLGDGDIZGAF-UMVBOHGHSA-N	353.802	2.115	10	10	FECE	
Cc1nc(-c2ncccn2)nc(O)c1CC(=O)N[C@@H](C)c1ccccc1O	1557967511	GDFDMLCZOHLISR-NSHDSACASA-N	365.393	2.073	10	10	FECE	
CCN(C)C(=O)Cn1c(C2CCC2)nnc1N(C)Cc1ccccc1O	1728262087	AWOPJYACYWVVLI-UHFFFAOYSA-N	357.458	2.366	10	10	FECE	
CC(C)CC[C@@H](CO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1565452604	HQXMEYBHCYALGE-HKUYNNGSSA-N	364.534	2.452	10	10	FECE	
CC(=O)Nc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)nc1	1587456343	QTGHEOMWILMJFJ-UHFFFAOYSA-N	368.437	2.149	10	10	FECE	
Cc1cccc(CNC(=O)[C@H]2CO[C@H](CNC(=O)OC(C)(C)C)C2)c1O	2139749932	AMHFKKCPSOAURE-CABCVRRESA-N	364.442	2.247	10	10	FECE	
CCN1C(=O)Cc2cc(NS(=O)(=O)c3cccc4nsnc34)ccc21	1891845056	WCOHWXAOSVWCTM-UHFFFAOYSA-N	374.447	2.401	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCc1ccc(O)cc1O	2030121585	BNTVFIWEONOVAT-ZBFHGGJFSA-N	352.431	2.212	10	10	FECE	
C[C@@H](N)c1ccc(N2CCC[C@@H](S(C)(=O)=O)C2)c(Br)c1	312809562	LKDYRCKIXYKUKS-ZYHUDNBSSA-N	361.305	2.482	10	10	FECE	
O=C(O)C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2O)C[C@@H]1O	2174355762	QAJFMDPAWZVMBX-HQJQHLMTSA-N	364.623	2.076	10	10	FECE	
NCc1cc(F)c(N2CC(N3CCSCC3)C2)cc1Br	2191169524	JHEISSYFOAIVPG-UHFFFAOYSA-N	360.296	2.284	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1	2049787493	YVMILERIJIHYPM-GRYWWWGRSA-N	350.459	2.288	10	10	FECE	
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)COc1ccc(N)cc1	2106229298	ITBNNMRRYIULAA-CZUORRHYSA-N	363.458	2.409	10	10	FECE	
CC(C)(C)OC(=O)N[C@]12CC[C@@H]1CN(C(=O)COc1ccc(N)cc1)C2	2106696905	MKEJVVBMYHZGKU-YJYMSZOUSA-N	361.442	2.163	10	10	FECE	
COc1cc(N)c(N2C[C@H](NC(=O)C(F)(F)F)CC[C@H]2C)cc1OC	2106713937	XSTLRWGHXDNUCO-NXEZZACHSA-N	361.364	2.322	10	10	FECE	
COc1ccc(OC)c(N2C(=O)C(=Cc3ccco3)C(=O)NC2=S)c1	2293261777	DYOKRGAYEGWMIS-UHFFFAOYSA-N	358.375	2.128	10	10	FECE	
O=C1NC(=O)N(c2ccccc2F)C(=O)C1=CNc1ccc2c(c1)OCO2	2297317917	JBNPEHPVQARGTN-UHFFFAOYSA-N	369.308	2.133	10	10	FECE	
CNC(=O)c1cncc(C=CC(=O)N2C[C@@H](C)Oc3cc(F)ccc32)c1	2297666857	KWOLNRXVSKSOLV-GFCCVEGCSA-N	355.369	2.408	10	10	FECE	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCCc1cnc[nH]1	2313681524	HCUHOXADWNJWEG-UHFFFAOYSA-N	354.370	2.147	10	10	FECE	
CN[C@@H](c1ccccc1O)[C@H]1[C@@H](OC)[C@@H](OC)CN1C(=O)OC(C)(C)C	2333221824	WCEIQMRDEJODJB-QAETUUGQSA-N	366.458	2.302	10	10	FECE	
CCn1nc(C)cc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	101647138	CWPHTPZBQGZSJX-UHFFFAOYSA-N	356.470	2.350	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N[C@H]3CCC[C@H](C(N)=O)C3)CC2)cc1	172578417	IGHWCNGDWHLASU-HOCLYGCPSA-N	374.485	2.007	10	10	FECE	
O=C(CN1CCN(Cc2c(O)ccc3ccccc23)CC1)N1CCCC1	126216070	NBPNUOZVLGECNL-UHFFFAOYSA-N	353.466	2.285	10	10	FECE	
COc1cccc2c1CCN(c1cc3c(cc1[N+](=O)[O-])OCC(=O)N3)C2	302066135	AXBMBPCBRJELIT-UHFFFAOYSA-N	355.350	2.497	10	10	FECE	
COc1cc(N2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc(OC)c1OC	183695479	JJHYOBPZHTVFRJ-CVEARBPZSA-N	350.459	2.138	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)CC[C@H]3CCCOC3)cc2)CC1	190571607	QVKCCBLATFTAKG-LJQANCHMSA-N	373.497	2.178	10	10	FECE	
CCOc1cccc(CN(CC(=O)N2CCCC2)C[C@@H]2CCCO2)c1O	93666927	IHUCTKDRFIBQJH-KRWDZBQOSA-N	362.470	2.394	10	10	FECE	
O=C(O)c1cnn2c(O)cc(CN3[C@H]4CC[C@H]3CC3(C4)CC3(F)F)nc12	530162955	CEESQMALJZBCEF-QWRGUYRKSA-N	364.352	2.285	10	10	FECE	
CN(C)c1ccc(CNC(=O)Nc2ccc3c(c2F)CCNC3=O)cc1	284876378	MUIQUHUDSAIWOZ-UHFFFAOYSA-N	356.401	2.499	10	10	FECE	
CCN(CC)c1ccc(CN(C)c2nnc([C@H]3COCCO3)n2C)cc1	800746339	SBCIWLBJMJSCKM-QGZVFWFLSA-N	359.474	2.386	10	10	FECE	
CCOC(=O)CN1C(=O)/C(=C\c2cc(C(=O)OC)n(C)c2)c2ccccc21	811693371	MBYFFQMNGGHXIP-DHDCSXOGSA-N	368.389	2.262	10	10	FECE	
CO[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@](C)(C(=O)O)C1	908847958	XJJPNEVKXNFROV-APWZRJJASA-N	361.442	2.060	10	10	FECE	
COc1cc(N2CCN(C(=O)NCC[C@@H](C)F)CC2)cc(OC)c1OC	836482904	WQJIKFVPERAIKN-CYBMUJFWSA-N	369.437	2.292	10	10	FECE	
COc1ccc(CN[C@@H]2CC[C@H](CNC(=O)CCc3cnn[nH]3)C2)cc1C	1263919750	DYIVWGSFQMBGON-DLBZAZTESA-N	371.485	2.129	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCN(C(=O)c3cc(C)[nH]n3)C[C@H]2C)c1O	839119880	BNHAZXMSJNGLRN-GFCCVEGCSA-N	374.416	2.112	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NCCOCCN(C)C)c1O	848546786	FKMHJNNCWPNERN-LLVKDONJSA-N	361.280	2.392	10	10	FECE	
O=C(N[C@]1(c2cc(O)c(O)c(O)c2)C[C@@H]1C(=O)O)OCc1ccccc1	1952774257	FSYCSRSWGUFNIW-XIKOKIGWSA-N	359.334	2.030	10	10	FECE	
CO[C@@](C)([C@H](C)NC(=O)OC(C)(C)C)[C@H](N)Cc1ccc(O)c(O)c1	1953009347	JEEZIFFBMFSLTR-POHZPAGDSA-N	354.447	2.286	10	10	FECE	
C[C@@H](NC(=O)N1CCCS(=O)(=O)C[C@H]1C)c1ccc(N(C)C)cc1	922053112	CAGAVAYRRFPLAC-ZIAGYGMSSA-N	353.488	2.032	10	10	FECE	
COc1ccc(N2CC[C@H](NC3CCC(CS(C)(=O)=O)CC3)C2)cc1	850487473	NNTBPXGDEDYGAQ-JCYILVPMSA-N	366.527	2.467	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)COc3ccccc3OC)C2)cc1	855234860	OOHCPUONDULCBJ-HNNXBMFYSA-N	356.422	2.478	10	10	FECE	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H]1CCC(=O)O1	867832120	FTHMCYKWUIHNMK-MRXNPFEDSA-N	362.426	2.081	10	10	FECE	
Cc1cc(CC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)c(C)n1-c1ccccc1	861717771	BVQDLHHYKFOPEM-RTWAWAEBSA-N	367.493	2.304	10	10	FECE	
C[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)[C@@H](C)O1	866213404	QOXYMAZATZJISC-XJKCOSOUSA-N	350.434	2.217	10	10	FECE	
COc1cc(Br)cc(CN2CCNC(=O)CC2(C)C)c1O	1119449845	IFKDSZQGXXYDGW-UHFFFAOYSA-N	357.248	2.264	10	10	FECE	
O=C([C@H]1CSCN1C(=O)c1ccccc1)N1Cc2cccc(O)c2C1	871198776	OOUXPTSHSWVIAB-MRXNPFEDSA-N	354.431	2.450	10	10	FECE	
CC(C)[C@H]1NC(=O)N(Cc2ccc(N3CCN(CC4CC4)CC3)cc2)C1=O	777672575	AAFYCTBWBZMFAM-LJQANCHMSA-N	370.497	2.295	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)Nc1ccncn1	770762924	IDGYPRPTSTUUQQ-UHFFFAOYSA-N	366.469	2.330	10	10	FECE	
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cc2cc(O)c(O)cc2s1	896341717	HVLMAGLAIVTCLF-RKDXNWHRSA-N	357.453	2.206	10	10	FECE	
COc1ccc(CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)c(O)c1	792893784	ZDWQVPJWWMOBOU-KRWDZBQOSA-N	357.454	2.373	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1	1303223294	JAJMFSGNLQJAKQ-UHFFFAOYSA-N	354.322	2.122	10	10	FECE	
CCS(=O)(=O)N(C)c1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1	1300968639	YLUXNMRIZICDLV-UHFFFAOYSA-N	364.423	2.444	10	10	FECE	
Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CCC[C@@H]2CN=[N+]=[N-])cn1	2124536735	SLJOKEMJUFRVEX-CHWSQXEVSA-N	363.422	2.287	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](CO)(C(=O)N2CCC(CN=[N+]=[N-])CC2)C1	2124543521	SHZOUYCVNLYZPS-QGZVFWFLSA-N	367.450	2.155	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)NC[C@@H]1C[C@H]1C(F)(F)F	1334011287	XECYTQHKUSNWED-DTWKUNHWSA-N	367.418	2.056	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C	2131394277	NRFPLRODFDVGHM-GJZGRUSLSA-N	364.442	2.280	10	10	FECE	
OC1CCN(c2ccc(CN3C[C@H](O)CC4(CCOCC4)C3)cc2)CC1	1353603943	CKDFKNXNMQDOAA-HXUWFJFHSA-N	360.498	2.011	10	10	FECE	
CCn1ccnc1[C@@H]1OCC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	1615273361	FOEMPNCQFGSMRT-MAUKXSAKSA-N	370.453	2.472	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCCS(=O)(=O)c2ccccc2)cc1	1626635794	LYMHQNBKKLWAOH-UHFFFAOYSA-N	360.395	2.053	10	10	FECE	
CCOC(=O)c1cc(C(=O)NCc2ccc(O)cc2O)cc([N+](=O)[O-])c1	1626837985	MJVUIJKXQVEYSL-UHFFFAOYSA-N	360.322	2.113	10	10	FECE	
CCOC(=O)[C@@H]1C[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	1583920247	ZYTNCNOGMLLSGB-IPMKNSEASA-N	374.481	2.459	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)Cc2ccc(-n3cnnc3)cc2)c1	1595806245	DRIBHHQAOMORND-ZDUSSCGKSA-N	352.394	2.401	10	10	FECE	
CN(Cc1ccccc1O)C(=O)NC1CCC(CS(C)(=O)=O)CC1	1673050833	HWPNKBSCIINUNT-UHFFFAOYSA-N	354.472	2.137	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)N2C[C@@]3(C)COC[C@@]3(C)C2)N(C)C)cc1	1684606647	ICGSVURIMJZTLB-NRSPTQNISA-N	374.529	2.423	10	10	FECE	
COc1ccc(C(C)=O)cc1NC(=O)CCN1C(=O)[C@H](C)SC1=S	11636031	FLFSZFBBXRCOII-JTQLQIEISA-N	366.464	2.475	10	10	FECE	
CCc1cccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1O	1972708788	OFCQVVLEZMDSQX-HZPDHXFCSA-N	350.459	2.415	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NCc2cc(N)ccc2O)C1	2044674039	CEPXLXFHYIQGKI-UOXLDJKESA-N	369.487	2.487	10	10	FECE	
CC(C)(C)OC(=O)NCc1ocnc1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2060609106	QUNSTSSSTUJDBH-JTQLQIEISA-N	350.379	2.472	10	10	FECE	
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC[C@H](CN=[N+]=[N-])C2)COC1	2060639794	LWVJMQRILXZGHC-GFCCVEGCSA-N	353.423	2.219	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CCCc3ccc(N)cc32)=C[C@@H]1O	2201006118	NXTQDAKGGDTMGU-RDJZCZTQSA-N	373.453	2.132	10	10	FECE	
Cc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c(O)c1	2084072355	SQYWEOJGACJBDN-JKSUJKDBSA-N	350.459	2.408	10	10	FECE	
CN(C[C@H]1CCN(CC(=O)Nc2ccc(N)cc2)C1)C(=O)OC(C)(C)C	2106765917	NQOHFVNOFBXOIW-CQSZACIVSA-N	362.474	2.396	10	10	FECE	
CC(C)(C)OC(=O)NCCOCCOCCNCc1ccc(F)cc1O	2225553798	SQSXDTVPRLWTDA-UHFFFAOYSA-N	372.437	2.179	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]12C[C@H]1CN(c1cc3c(cc1N)OCCO3)C2	2272652644	AZJYWKPJKPWGRX-HXPMCKFVSA-N	361.442	2.391	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)NCc1ccc2c(c1)CNC2	2310539068	RQEGZBUYBMCZBB-UHFFFAOYSA-N	363.461	2.456	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@]1(COC)C=CCN1C(=O)OC(C)(C)C	2315986541	FIAGCBXEAZXBHB-INIZCTEOSA-N	353.423	2.337	10	10	FECE	
CC(C)(C)OC(=O)NCCCC(=O)N1CCc2cc(O)c(O)cc2C1	2318654656	LKNABXOBTQAPRC-UHFFFAOYSA-N	350.415	2.287	10	10	FECE	
O=C(CC[C@@H]1CCCOC1)NCc1ccc(N2CCOCC2)c(F)c1	175363781	IZYNUEGYHUUVAQ-HNNXBMFYSA-N	350.434	2.485	10	10	FECE	
Cc1cc(Cl)cc(CNC2CCN(S(=O)(=O)C3CC3)CC2)c1O	182631242	FUYWIEAEZSASGV-UHFFFAOYSA-N	358.891	2.400	10	10	FECE	
O=C(C[C@@H](O)c1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1	91169794	UPOCEDWWEXNNHD-LJQANCHMSA-N	358.413	2.402	10	10	FECE	
C[C@H](N[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccc(N2CCOCC2)cc1	90061997	FCNFFOLKHNUBLC-DZGCQCFKSA-N	371.403	2.337	10	10	FECE	
C[C@@H]1CCCN(CCNC(=O)/C=C\c2ccc(N3CCOCC3)cc2)C1	255556342	WSEGHDHTANGVBJ-OTIVFRFGSA-N	357.498	2.385	10	10	FECE	
COc1cccc(CN2CCOC3(C2)CN(C(=O)OC(C)(C)C)C3)c1O	294096771	ZYBJDGRIPGRNSJ-UHFFFAOYSA-N	364.442	2.223	10	10	FECE	
CO[C@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCCC1	822938830	ZCJOAQXXSDJUIY-MJGOQNOKSA-N	373.497	2.210	10	10	FECE	
COc1cc(-c2noc(CN(C)c3ccc(OC)c(OC)c3)n2)ncn1	827491815	QQESQWIEZZLEQM-UHFFFAOYSA-N	357.370	2.189	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cc2c(O)ncnc2cn1	839920707	DAXULRLSFXSKBO-CYBMUJFWSA-N	365.437	2.466	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)CCc3ccc(C)o3)CC2)cc1	746592786	GDEGZWOVYDRGFP-UHFFFAOYSA-N	371.481	2.468	10	10	FECE	
COc1cnc(F)c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1	847507044	JSZLYFAEEFOWBC-UHFFFAOYSA-N	373.428	2.368	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2O)c2ncnn21	852476522	IZAFWUALYIGQDY-LDYMZIIASA-N	366.219	2.251	10	10	FECE	
CNS(=O)(=O)c1ccc(CCNCc2ccc3c(c2)CCCO3)cc1	922318576	PBMCHAZUXNGMHS-UHFFFAOYSA-N	360.479	2.252	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)cc1	853456390	IQKMINPFYMKPCQ-GDBMZVCRSA-N	367.515	2.298	10	10	FECE	
CCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	855230546	DWXNIQYMAWVZIJ-JKSUJKDBSA-N	359.470	2.039	10	10	FECE	
C[C@H](NCCOCCN1C(=O)c2ccccc2C1=O)c1ccccc1O	931556987	GSNMETSWNGDTIF-AWEZNQCLSA-N	354.406	2.356	10	10	FECE	
O=C(NCc1noc(C2CC2)n1)NCc1cccc(Br)c1O	764799758	LEVUDUKTIBASFX-UHFFFAOYSA-N	367.203	2.415	10	10	FECE	
CNC(=O)CCOC1CCN(Cc2cc(Cl)cc(OC)c2O)CC1	761204928	OYLMOWJHKGTNAF-UHFFFAOYSA-N	356.850	2.171	10	10	FECE	
COC(=O)N1CCC[C@@H]([C@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2O)C1	775071426	AFCPPYHGDUGDOQ-WCQYABFASA-N	367.402	2.266	10	10	FECE	
CN(C)S(=O)(=O)C1(CNCc2cc(Cl)cc(Cl)c2O)CC1	886322139	OSJIWHRFYWWVNC-UHFFFAOYSA-N	353.271	2.213	10	10	FECE	
Cc1cc(N=Nc2ccccc2)c(NC[C@@H](O)[C@@H](O)[C@@H](O)CO)cc1C	1085195488	NARUXRZZSJCXFJ-CEXWTWQISA-N	359.426	2.206	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NC(=O)c3ccc(O)c(O)c3)[C@H]2C1	2118175825	LVUFWUAFMSFMAE-IHRRRGAJSA-N	362.426	2.473	10	10	FECE	
CC(C)S(=O)(=O)c1ccc(CC(=O)NCc2cccc(O)c2O)cc1	1176565958	PWOGUXRYCOLOEH-UHFFFAOYSA-N	363.435	2.139	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2124504496	ZNUGVBKNTMXFTI-AAEUAGOBSA-N	363.422	2.147	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCCN43)CC2)cc1F	1445838662	BOKHMGCSPQOMDW-YJBOKZPZSA-N	361.461	2.500	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1	1297728808	QLJVVVZWYZFMNI-HNNXBMFYSA-N	372.429	2.259	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N2CC(=O)N(C)C[C@H]2C)CCCC1	1459119911	ZQHOBSZGOSOSAB-CQSZACIVSA-N	369.465	2.218	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)c2cccnc2N(C)C)N(C)C)cc1	1537482490	GAUDTDWAHSABAT-SFHVURJKSA-N	355.486	2.246	10	10	FECE	
CCc1nc(C)ncc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	1618539368	MJMXFEMFLUUMCW-UHFFFAOYSA-N	368.481	2.486	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](OCC)C(C)C	1632356634	SJTVYEMDPLDAJH-YOEHRIQHSA-N	367.442	2.139	10	10	FECE	
CCO[C@H]1[C@@H](C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)[C@H]1C	1632702036	UEGIHNWHYKDNCG-HPEXNQPKSA-N	355.818	2.218	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)c3cccc(O)c3F)cc2)CC1	1644863254	DOFZPVLNZZWUME-UHFFFAOYSA-N	371.412	2.163	10	10	FECE	
CCOC(=O)CN1C(=O)/C(=C\c2ccc(O)c(OC)c2)SC1=S	6076261	WTWPZBSVPHVVBO-KPKJPENVSA-N	353.421	2.165	10	10	FECE	
Cc1cccc(CNCC2=NO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1O	2139758659	STDUZNWQTPYVQQ-GDBMZVCRSA-N	361.442	2.412	10	10	FECE	
Cc1sc(CCN2CCCC2=O)nc1-c1cn(-c2ccc(N)cc2)nn1	887392890	HFRREXJMYBLPCS-UHFFFAOYSA-N	368.466	2.446	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1	269502190	VHQDTIOGQMDWQN-AWEZNQCLSA-N	364.442	2.404	10	10	FECE	
C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N(C)Cc1ccccc1O	285734065	QXZLXPBBRRZDJP-CJNGLKHVSA-N	364.442	2.375	10	10	FECE	
O=C(N[C@@H]1CN(Cc2ccccc2)[C@@]2(CCOC2)C1)c1ccc(O)c(O)c1	2154516423	CRSMUSRWOADERP-UWJYYQICSA-N	368.433	2.261	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCO[C@@](C)(C(=O)NCc2ccccc2O)C1	1294925863	SWTMLSMIJBRBCW-IFXJQAMLSA-N	364.442	2.471	10	10	FECE	
CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C[C@@H](O)CC(=O)O	2106421131	PSTIEUNQIDMXEO-HNNXBMFYSA-N	364.442	2.300	10	10	FECE	
CC(C)(C)OC(=O)NCC[C@@H]1CCN(CC(=O)Nc2ccc(N)cc2)C1	2106688067	QOFKGOUKVVWTJD-CQSZACIVSA-N	362.474	2.444	10	10	FECE	
CN(C(=O)CN1CC[C@@H](N(C)Cc2ccccc2)C1)c1ccc(N)cc1	2095870422	OFXRKPZOSNPMNY-HXUWFJFHSA-N	352.482	2.438	10	10	FECE	
O=C(O)[C@@H]1C[C@@H](O)CN(Cc2cc(Cl)cc(Br)c2O)C1	2201044306	MCYLDBQVXFHWFA-PSASIEDQSA-N	364.623	2.076	10	10	FECE	
CSc1ncc(CNS(=O)(=O)c2csc(C(=O)O)c2)s1	2284495676	BHEOPESTJILTFF-UHFFFAOYSA-N	350.468	2.103	10	10	FECE	
CN(C)c1ccc([C@@H](CN)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)cc1	2286109218	IMYFUKXEWSLEPC-GOEBONIOSA-N	372.435	2.285	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N1CCCC[C@@H]1c1nc[nH]n1	2306239863	RXBUGEVIORJSJV-GOSISDBHSA-N	367.453	2.408	10	10	FECE	
Cc1ccc(N2C(=O)C(=CN3CCOCC3)SC2=S)cc1[N+](=O)[O-]	2313610154	SQRCJBWGBIRQIY-UHFFFAOYSA-N	365.436	2.442	10	10	FECE	
COc1cccc(CNc2c(I)cnn2C)c1O	2328410183	XMOARAGOIJAXBM-UHFFFAOYSA-N	359.167	2.351	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N[C@@H](C)Cn3cncn3)cc2)CC1	108443612	ICIABLOSFZMGDF-INIZCTEOSA-N	356.474	2.402	10	10	FECE	
COC(=O)CCC(=O)N1CC2(CCN(Cc3ccc(N(C)C)cc3)CC2)C1	63526960	GLZHSBZSDXSZHW-UHFFFAOYSA-N	373.497	2.130	10	10	FECE	
CCN(CCO)C(=O)CN1C(=O)/C(=C\c2ccccc2C)SC1=S	210484756	YNJYHKBQFUJWOS-GXDHUFHOSA-N	364.492	2.037	10	10	FECE	
NC(=O)c1ccc(F)c(NC(=O)/C=C\c2ccc(N3CCOCC3)cc2)c1	255305023	GYLJSSVZHJAGDM-BAQGIRSFSA-N	369.396	2.413	10	10	FECE	
COCC(=O)N1CCc2c(NC(=O)/C=C/c3ccc(O)c(O)c3)cccc21	364947661	WPPTYISHRGTSMJ-SOFGYWHQSA-N	368.389	2.285	10	10	FECE	
NS(=O)(=O)C[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1	271208797	XEHZLTWXPMTEGY-SECBINFHSA-N	353.271	2.200	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)C(=O)NCc3cscn3)cc2)CC1	804020941	OGNYNJQHMJVZHV-UHFFFAOYSA-N	372.494	2.312	10	10	FECE	
Oc1ccc(Br)cc1CNc1cc(N2CCOCC2)ncn1	804828679	WAVFWYJWGMTWDO-UHFFFAOYSA-N	365.231	2.393	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2ccnn2C)C1	577259489	LTQWTROYYCFGGU-UHFFFAOYSA-N	365.481	2.458	10	10	FECE	
CCc1cc(NC(=O)C(=O)NCc2ccc(N(CC)CC)c(F)c2)no1	740495339	NTSWEBNIGRKKPK-UHFFFAOYSA-N	362.405	2.477	10	10	FECE	
C[C@@H]1[C@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C[C@H]2CC[C@H]1N2	925485377	MIRCUPJSMXJRHE-TWRRNRRFSA-N	356.514	2.007	10	10	FECE	
C[C@@H]1[C@H](C(F)(F)F)OCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1	852604224	YWQRERUFUYTFJT-CXAGYDPISA-N	373.419	2.363	10	10	FECE	
c1cc(CCN2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)ccn1	931338813	NKCIDCVPBHYLTA-UHFFFAOYSA-N	366.509	2.279	10	10	FECE	
CO[C@@H](C)CS(=O)(=O)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	764215051	CQYKJAHEFDUFHY-AWEZNQCLSA-N	364.467	2.497	10	10	FECE	
CN1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	761981839	IPFJTNQWXKNTPE-HOTGVXAUSA-N	351.878	2.220	10	10	FECE	
O=C1CN(C2CC2)C(=O)N1Cc1ccc(N2CCN(CC3CC3)CC2)cc1	777673580	MIYAJBUEWZYMIF-UHFFFAOYSA-N	368.481	2.145	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N2CCC(c3cccnc3)CC2)cc1	785432848	JFUNWZMJYFMPJX-UHFFFAOYSA-N	366.465	2.170	10	10	FECE	
COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2ccc(O)c(OC)c2)c1	797819578	NEJVNMGRKAUYJF-UHFFFAOYSA-N	369.370	2.436	10	10	FECE	
COc1ccc(CNC(=O)C(=O)Nc2cc(C)n([C@@H](C)C3CC3)n2)c(O)c1	797390884	YCDFSOICVAGIGA-LBPRGKRZSA-N	372.425	2.132	10	10	FECE	
COc1ccc(CNC(=O)NCCCNC(=O)c2ccccc2)c(O)c1	792956873	SLXROECSDZUSBA-UHFFFAOYSA-N	357.410	2.020	10	10	FECE	
CON(CCCNCc1cc2c(cc1O)OCO2)C(=O)OC(C)(C)C	694679959	YOJWSUOMOPDEER-UHFFFAOYSA-N	354.403	2.399	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CC[C@]2(C1)CC2(F)F	1328900888	JBBOGKAMNWZXMK-GOSISDBHSA-N	363.408	2.161	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N3CC[C@H](N=[N+]=[N-])C3)=NO2)C1	2124505788	PJIBTXNLVIBHIW-MEDUHNTESA-N	364.406	2.054	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)N3CCC[C@@H](N=[N+]=[N-])CC3)[C@H]21	2124513877	RLHNGMCQQPKWSX-AAVRWANBSA-N	365.434	2.312	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)c1cc(Br)c2nccn2c1	1294870282	UEADPKQQUUJWDX-UHFFFAOYSA-N	362.183	2.438	10	10	FECE	
Nc1ccnc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1	1465952123	VTTWVIUUWOLUQV-OAHLLOKOSA-N	360.845	2.417	10	10	FECE	
C[C@@H]1CCn2cc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)nc2C1	1536934057	QEAXHFSMXRMAOK-MRXNPFEDSA-N	367.497	2.147	10	10	FECE	
CC1(C)OC[C@H](/C=C\C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)O1	1634348394	YGIMEKRROYZGRF-FQQSSWHASA-N	374.481	2.219	10	10	FECE	
COCCN(CC1CCN(C)CC1)C(=O)c1ccc(N=NC(N)=O)cc1	1648561560	VRNLNDAKGUSYJY-UHFFFAOYSA-N	361.446	2.279	10	10	FECE	
Cc1cccc(CN2CCO[C@@H](CNC(=O)c3c(F)ccc(O)c3O)C2)c1	1651190509	JTIAFHIJEQOPSB-HNNXBMFYSA-N	374.412	2.176	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CC=CCN2C(=O)OC(C)(C)C)cc1	1654348554	QXXKMNNSPSCVAI-UHFFFAOYSA-N	374.485	2.393	10	10	FECE	
Cc1cc(CN2CCN(Cc3nc[nH]n3)CC2)ccc1N1CCCCC1	1659252315	VDEFDYJOOWAXRG-UHFFFAOYSA-N	354.502	2.421	10	10	FECE	
COc1cc(/C=C2/SC(=S)N(C[C@H](C)O)C2=O)cc(OC)c1OC	1858587262	ZLJLNSGQGBBRMI-PBJWJZLWSA-N	369.464	2.294	10	10	FECE	
COc1ccc(CN[C@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)c(O)c1	2031533421	UGUOCUPOLFWJKV-GJZGRUSLSA-N	352.431	2.173	10	10	FECE	
O=C(c1cccc(O)c1O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21	404168906	SCANVGCGWFTWSR-IEBWSBKVSA-N	368.433	2.213	10	10	FECE	
CCN(c1ccc(CNC)c(Br)c1)[C@@H]1CCS(=O)(=O)C1	395676444	JTDGGVHCJDYJFX-CYBMUJFWSA-N	361.305	2.182	10	10	FECE	
CS(=O)(=O)c1cnn(Cc2cccc(Br)c2O)c1Cl	2070244354	BXTBABRRLMEFGN-UHFFFAOYSA-N	365.636	2.456	10	10	FECE	
CCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2060632757	FNGFVGWQGCNNPH-QWHCGFSZSA-N	355.439	2.465	10	10	FECE	
CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2060610863	MNEUJXFRXUHKBZ-QWHCGFSZSA-N	354.455	2.133	10	10	FECE	
COCC1(C(=O)NCC2(CN=[N+]=[N-])CC2)CN(C(=O)OC(C)(C)C)C1	2060618603	BBGIXBMLWFSVIC-UHFFFAOYSA-N	353.423	2.077	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4C[C@]4(CN)C3)ccc(N)c2C1	2272653171	LRNARXNISZZZKF-RBZFPXEDSA-N	358.486	2.347	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1	2288269265	ZXWIWGNLPCUSJR-CKNLXJGOSA-N	374.485	2.442	10	10	FECE	
CCN1C(=O)C(=Cc2ccc(OCC(=O)OC)c(OC)c2)SC1=S	2297358180	LBBVSHNQKBMSBG-UHFFFAOYSA-N	367.448	2.468	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(N(C)C)n1	125787033	FTQJMBDYSXGSTM-UHFFFAOYSA-N	356.426	2.231	10	10	FECE	
O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/C=C\c2ccco2)SC1=S	34387366	JKZNDTLNXHXHKA-CVMGCVRXSA-N	367.404	2.355	10	10	FECE	
C[C@@H](CCN1CCN(C)CC1)N[C@H](C)c1ccc(N2CCC(O)CC2)cc1	186588562	GUMZPJJRBCSHLM-RBUKOAKNSA-N	374.573	2.324	10	10	FECE	
CC(C)Oc1ccc(N(C)CC(=O)N2CCN(c3ncccn3)CC2)cc1	191595979	FJQYKPRAPSMEJC-UHFFFAOYSA-N	369.469	2.049	10	10	FECE	
COc1cc(O)c(CN2CCN(c3nc(C)cc(C)n3)CC2)cc1OC	272777962	AWMDGSCEPRGBOT-UHFFFAOYSA-N	358.442	2.138	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)Nc3ccncc3)CC2)cc1	299492721	HORJVZOMSBSFGL-UHFFFAOYSA-N	355.442	2.034	10	10	FECE	
O=C(CCn1ccccc1=O)NCc1cc(Br)ccc1O	804737730	OTAGBYWBAMKNCI-UHFFFAOYSA-N	351.200	2.023	10	10	FECE	
C[C@]1(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C[C@]1(F)Cl	846414300	WWZGLEWMBDUIJV-UONOGXRCSA-N	364.826	2.198	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H](C)C(C)(C)OC)CC2)c(OC)c1	925524947	CIACYAYYNRRTQU-CQSZACIVSA-N	365.474	2.349	10	10	FECE	
COC(=O)[C@@H]1CSCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1	840353991	IIOCIBQHULTLRU-ZFWWWQNUSA-N	365.499	2.361	10	10	FECE	
Cc1cc(C(=O)CN(C)[C@H]2CCNC2)c(C)n1-c1ccc2c(c1)OCO2	843351366	LOXMUTIKWYCXSI-INIZCTEOSA-N	355.438	2.299	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CN[C@H]3CCCc4c[nH]nc43)cc2)C1	857848911	PIWGPFHAGOULFV-WMZOPIPTSA-N	353.470	2.279	10	10	FECE	
Cn1nnc2c1C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)CC2	927858942	QKWQORWHWGZQHV-SNVBAGLBSA-N	370.240	2.184	10	10	FECE	
CC(C)(C)N1CC[C@@H]1CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	852414526	QAXBEZIOTHBZJX-GOSISDBHSA-N	374.529	2.320	10	10	FECE	
CC[C@@H](CN1CCCC1)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	853854869	VHXTVFOMDMKSHG-IRXDYDNUSA-N	360.502	2.448	10	10	FECE	
COC1(OC)CC[C@@H]1NCc1ccc(N2CCN(CC3CC3)CC2)cc1	925675031	DDCJQSMMVWVPSS-FQEVSTJZSA-N	359.514	2.460	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CN3CCCCC3)C2)cc1	852181168	CVFYDCGTKMMBSF-SJORKVTESA-N	360.502	2.448	10	10	FECE	
CCc1nc([C@@H](C)NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)n[nH]1	854298390	CDJCPCFOUKTZIT-OLZOCXBDSA-N	358.446	2.015	10	10	FECE	
CCON(CC)C(=O)CNC(=O)N(C)Cc1ccc(N(CC)CC)cc1	858714631	XOGAZRQMPLOOCV-UHFFFAOYSA-N	364.490	2.474	10	10	FECE	
CON(C)C(=O)[C@H](C)NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1	863632333	AILUEIAQTCEJFB-ZDUSSCGKSA-N	357.410	2.045	10	10	FECE	
C[C@H](NC(=O)[C@@H]1CCCN(C2CC2)C1=O)c1ccc(N2CCOCC2)cc1	930743080	BWZCBOWGTOXSPY-KXBFYZLASA-N	371.481	2.101	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3C[C@@H]4[C@H]5CC[C@@H](NC5)[C@H]4C3)ccc21	861567197	AOVMQBXJWNQIES-ZSYWTGECSA-N	354.498	2.208	10	10	FECE	
O=C([C@@H]1CCCC12OCCO2)N(Cc1ccccc1O)C[C@@H]1CCCO1	774065885	IYEFHIBTLXDREN-IRXDYDNUSA-N	361.438	2.443	10	10	FECE	
COc1ccc2c(c1)CCN2Cc1cc(OC)c(OCC(N)=O)c(OC)c1	772599166	NZXJOZPLRPSPKN-UHFFFAOYSA-N	372.421	2.139	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC[C@H](O)[C@H](O)CC3)ccc21	1123944671	YWQWBWQGYTUNGG-IRTIRVBGSA-N	374.481	2.299	10	10	FECE	
O=C1C[C@@H]([C@H]2CCCCN2C(=O)c2cc3cc(O)c(O)cc3s2)CN1	897263668	LCYJKOPZRCYVLT-VXGBXAGGSA-N	360.435	2.443	10	10	FECE	
COC(=O)c1c(CN[C@@H]2CCn3ccnc3C2)c2cc(F)ccc2n1C	894493716	LDJFKFUTVFGIFB-CYBMUJFWSA-N	356.401	2.405	10	10	FECE	
COC(=O)[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1cccc(O)c1	792181106	OGPXZILZFWQYMS-HXUWFJFHSA-N	369.465	2.148	10	10	FECE	
CN(C[C@H]1CCCCS1(=O)=O)c1ccc(CN)c(Br)c1	694104083	LYTCIBIDPIRINL-CYBMUJFWSA-N	361.305	2.311	10	10	FECE	
Cc1cc(Br)cc(CN(C)C[C@@H]2CCCS2(=O)=O)c1O	694401099	WMRGELZEGGVEFZ-ZDUSSCGKSA-N	362.289	2.472	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@@H](O)Cc1cccc(C(F)(F)F)c1	1156885685	LXQLSZRFVIVSPV-HNNXBMFYSA-N	355.312	2.336	10	10	FECE	
COc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)c1O	1150543011	HBTHCBOWRKIULK-UHFFFAOYSA-N	368.349	2.425	10	10	FECE	
Oc1ncc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(O)n1	1317903106	WBIVCSCONCVKCH-UHFFFAOYSA-N	370.331	2.355	10	10	FECE	
C[C@@H](CC(=O)NCc1ccc(O)cc1O)S(=O)(=O)c1ccc(F)cc1	1162277645	AHCAYWRLXYCCMP-NSHDSACASA-N	367.398	2.106	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3C[C@@H](C)O[C@H]3C)CC2)cc1F	1313146677	DHOQFHGLYNVVMR-DVOMOZLQSA-N	351.422	2.232	10	10	FECE	
Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC[C@H](N=[N+]=[N-])C2)cn1	2124535113	KSALZZRHBZMBCW-STQMWFEESA-N	363.422	2.287	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2124510615	YWSRGBDWNQULCW-KBPBESRZSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)NCC1(CNC(=O)c2cc(O)c(O)c(O)c2)CCC1	2132410216	LEYXFNOZJJBIQE-UHFFFAOYSA-N	366.414	2.228	10	10	FECE	
Cc1noc(C[C@H](NC(=O)Cc2ccc(O)c(O)c2)c2ccccc2)n1	1466850883	JFLBVLCQEMKMSH-HNNXBMFYSA-N	353.378	2.432	10	10	FECE	
O=C(NCc1ccc(O)cc1O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	1469158880	GQOVBRNMWNCWNB-GFCCVEGCSA-N	360.797	2.421	10	10	FECE	
COC(=O)[C@H]1C[C@@H](O)CN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1	1469816160	YOODNBPYUDXSET-FUHWJXTLSA-N	370.449	2.399	10	10	FECE	
CCN(CC)c1ccc(Cn2c(C)nnc2N2CCO[C@H](COC)C2)cc1	1710025178	QWUKGOWWJHZUMY-IBGZPJMESA-N	373.501	2.333	10	10	FECE	
C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(N2CCCNC2=O)cc1	1625261814	ANCXTTDYGCQPQW-ZDUSSCGKSA-N	369.421	2.437	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](n2cncn2)C(F)(F)F)c1	1637637984	BZXFJNTXUAKLCR-ZANVPECISA-N	373.335	2.156	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)NCCOC(F)(F)F)N(C)C)cc1	1638917855	MEOWQCJVEKUOPL-AWEZNQCLSA-N	362.396	2.191	10	10	FECE	
COCCOCCc1ncc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)[nH]1	1638955695	BHIDEZQFLDHQQF-CQSZACIVSA-N	360.458	2.172	10	10	FECE	
COC(=O)c1cc(OCC(=O)NCCc2ccc(F)cc2)ccc1N(C)C	1653033360	GRDKFHYDQISJMD-UHFFFAOYSA-N	374.412	2.416	10	10	FECE	
COc1ccc(C)cc1N1C[C@@H](C(=O)NCc2cc(O)ccc2O)CC1=O	1593873393	NTZPKUFAUYDKDO-AWEZNQCLSA-N	370.405	2.084	10	10	FECE	
CCOC(=O)CCC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C	1866119181	YSICGMKZWRNBLA-SFHVURJKSA-N	358.442	2.035	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C2CN(CC(=O)Nc3ccc(N)cc3)C2)C1	1886842232	BVNBYNCWHRDQFJ-UHFFFAOYSA-N	360.458	2.006	10	10	FECE	
COCCOCCN(Cc1ccccc1)c1ccc2c(c1)N(C)C(=O)[C@H]2N	2152215946	ZHLLSZRIKBOFCP-FQEVSTJZSA-N	369.465	2.332	10	10	FECE	
O=C(O)c1ccc2c(=O)n3c(nc2c1)C(=Cc1cn(C2CCC2)nn1)CC3	2052963785	GWUFKLOZBVTVBH-UHFFFAOYSA-N	363.377	2.356	10	10	FECE	
C[C@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1c(O)cccc1O	397448912	YZBPIRWZXXOPGP-QWHCGFSZSA-N	352.431	2.384	10	10	FECE	
CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)[C@H]2CC[C@H]21)c1ccc(N)cc1	2168384218	IOKKZJGCJUWTLH-SJORKVTESA-N	374.485	2.315	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCN(c3cc4c(cc3N)OCC(=O)N4)[C@@H]2C1	2188888664	WJHRZUNDVUQKGB-XHDPSFHLSA-N	374.441	2.045	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)Cc1ccc(N)cc1	2044598464	SDOPAAKPDLXFRC-SWLSCSKDSA-N	369.487	2.086	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2c(O)cccc2F)[C@@H](CO)C1	2052718748	ZGROEBONTLNYKU-DOMZBBRYSA-N	354.422	2.239	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])CCCOC1	2060617413	NDKMHQKYUYYMJI-WBMJQRKESA-N	353.423	2.362	10	10	FECE	
CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCCCN=[N+]=[N-]	2063954440	CADNACUKMWALAA-CHWSQXEVSA-N	355.439	2.465	10	10	FECE	
COc1ccc(O)c([C@@H](C)NCCC2(O)CN(C(=O)OC(C)(C)C)C2)c1	2087529830	GODWYAYUBBKFBO-CYBMUJFWSA-N	366.458	2.423	10	10	FECE	
CCCN(c1ccc(CN)c(Br)c1)[C@H]1CCS(=O)(=O)C1	2201907280	HGJWGBFMIZFHGO-ZDUSSCGKSA-N	361.305	2.311	10	10	FECE	
CN(C)c1ccc([C@@H](N)[C@]2(O)[C@H]3C[C@@H]2CN(C(=O)OC(C)(C)C)C3)cc1	2270725378	ISYMMDFIXWWHRD-DOHHPOSVSA-N	361.486	2.370	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@]2(C(=O)N3CC[C@@H](CN=[N+]=[N-])C3)CO[C@H]1C2	2266112623	LIBDRZBDSNDHMJ-MRHIQRDNSA-N	365.434	2.218	10	10	FECE	
CC(C)CN1C(=O)C(=CN[C@@H](C)c2ccc(F)cc2F)C(=O)NC1=S	2295113265	XWFRCMLKPIJHFA-JTQLQIEISA-N	367.421	2.399	10	10	FECE	
CN(Cc1ccccc1O)C1(C(=O)O)CN(C(=O)OCc2ccccc2)C1	2304969132	VHPIJTZSWVTBBR-UHFFFAOYSA-N	370.405	2.300	10	10	FECE	
Cc1ncsc1C=CC(=O)N(C)c1ccc(S(=O)(=O)N(C)C)cc1	2312234237	MSKMRTKUQBRHRE-UHFFFAOYSA-N	365.480	2.378	10	10	FECE	
CCOc1cccc(C=C2SC(=S)N([C@H](C(=O)O)[C@H](C)O)C2=O)c1	2323823506	NGCRPCHKQMDXMZ-ZANVPECISA-N	367.448	2.121	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](O)([C@H](N)c2ccccc2O)C(F)(F)C1	2316749802	NUKHBKXHSHMKTG-CJNGLKHVSA-N	358.385	2.399	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(C1)C[C@](O)([C@H](N)c1ccccc1O)CS2	2317526668	IZQFJWQMPKLFOH-RDTXWAMCSA-N	366.483	2.250	10	10	FECE	
CC(C)N1C[C@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1=O	117975116	GBVAUKUDFPMSOF-SJORKVTESA-N	360.454	2.157	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2C[C@@H]2[C@H]1CNC(=O)OC(C)(C)C	2357559141	AINDTOTUNWFOCW-MGBSGCIJSA-N	374.485	2.441	10	10	FECE	
O=C(Nc1ccc(F)cc1I)c1cc(O)nc(O)c1	127930197	OYRFLEPGKDOANP-UHFFFAOYSA-N	374.109	2.489	10	10	FECE	
COc1c(Br)cc([C@@H](N)CCO)c(O)c1Br	44234156	QZVLQCZIBBLMRX-ZETCQYMHSA-N	355.026	2.308	10	10	FECE	
O=S(=O)(C(F)F)[C@@H]1CCN(Cc2c(O)cccc2Br)C1	2368504041	BMBJHBKHPKRADG-MRVPVSSYSA-N	370.215	2.366	10	10	FECE	
COCC(COC)NC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	456222943	JAXPDPYFGGUURB-UHFFFAOYSA-N	373.497	2.185	10	10	FECE	
C[C@H](C(=O)NCc1cc(Br)ccc1O)N1CCSCC1	804738298	KTYGICZYYCMREQ-SNVBAGLBSA-N	359.289	2.208	10	10	FECE	
CN1CCc2cc([C@H](N)c3cn(CCNC(=O)OC(C)(C)C)cn3)ccc21	2163138626	OVAZBCWGPCYZQT-SFHVURJKSA-N	371.485	2.448	10	10	FECE	
CCN(CC)c1ccc(CNc2ccc(C(=O)NCC(N)=O)cc2)cc1F	802760740	FMBXIRMFWDIRTJ-UHFFFAOYSA-N	372.444	2.499	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccccc1Cn1cncn1	808094741	COIHBJCNDLXSLS-UHFFFAOYSA-N	357.410	2.448	10	10	FECE	
COc1ccc(N2CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC2)cc1	817119955	HUWDPAJVBQLNSG-UHFFFAOYSA-N	356.382	2.029	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)c1	820052171	KFZLSTYGHRAWCW-LRDDRELGSA-N	369.421	2.349	10	10	FECE	
Nc1c(C(=O)OC[C@@H]2CCCO2)ccc2c1C(=O)c1ccccc1C2=O	915551154	QGRXYAUWBBPGKO-NSHDSACASA-N	351.358	2.380	10	10	FECE	
O=C(N[C@]1(c2c(O)cc(O)cc2O)C[C@@H]1C(=O)O)OCc1ccccc1	1952773982	CBDQHXVYVBLSEF-KZULUSFZSA-N	359.334	2.030	10	10	FECE	
CCOC(=O)C1([S@@](C)=O)CCN(Cc2cc3c(cc2O)CCC3)CC1	840106313	TUQCNNZEZMXNPC-RUZDIDTESA-N	365.495	2.157	10	10	FECE	
CCOC(=O)[C@@H]1Cc2cccc(F)c2N(C(=O)/C=C\c2cnn(C)c2)C1	844641128	JAWZFLAMDIRIGF-ZPIQOJFGSA-N	357.385	2.341	10	10	FECE	
O=C(NCc1ccc(O)cc1O)[C@@H]1CCCN1C(=O)Cc1cccs1	910952248	UHVKDEGNEYHYPI-HNNXBMFYSA-N	360.435	2.009	10	10	FECE	
Cc1cc(CCNC(=O)N2CCN(C)C(=O)C2)c(C)n1-c1ccccc1	741076560	ULTAIYHUICRNCK-UHFFFAOYSA-N	354.454	2.120	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N2C[C@@H](C)Oc3ccc(OC)cc32)c1	742004630	GNLRMEJPCYUDJJ-WXJAXGNASA-N	367.405	2.277	10	10	FECE	
CCc1cc(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n(C)n1	929537338	MSNPGJNOLOGQHR-UHFFFAOYSA-N	356.470	2.020	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CN3CCc4ccccc43)C2)cc1	855229147	IFGNCTMZDYHJGV-KRWDZBQOSA-N	351.450	2.453	10	10	FECE	
COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1C	753522857	UXWRFWULMGMVOQ-UHFFFAOYSA-N	366.351	2.196	10	10	FECE	
CC(C)(N)c1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)on1	852859801	ASBOCIDVWYGYFG-UHFFFAOYSA-N	360.483	2.352	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](CO)Cc3ccccc3)C2)cc1	852451533	MVEHROFXJCPWQY-QZTJIDSGSA-N	369.465	2.177	10	10	FECE	
Cc1ccccc1-c1noc(=O)n1CC(=O)NCc1ccc(N(C)C)cc1	750954444	UTZOCOOTQKFOQE-UHFFFAOYSA-N	366.421	2.194	10	10	FECE	
COc1ccc(N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1	2131050744	VTHZOZYPWWDNSB-VXGBXAGGSA-N	367.402	2.068	10	10	FECE	
NC(=O)Cc1cccc2c1CCN(Cc1ccc(N3CCOCC3)cc1)C2	877680354	WGERVKXYGQFBTB-UHFFFAOYSA-N	365.477	2.109	10	10	FECE	
O=[N+]([O-])c1ccc(NC(=S)NCc2cccc(N3CCOCC3)n2)cc1	774255891	GLILVPJCIAGNGW-UHFFFAOYSA-N	373.438	2.313	10	10	FECE	
CN1CCc2cc([C@H](CN)N3CC4(CN(Cc5ccccc5)C4)C3)ccc21	706614555	HJGLLKDJTFFWLK-QFIPXVFZSA-N	362.521	2.497	10	10	FECE	
O=S(=O)(NCc1cc(Br)ccc1O)c1cncc(F)c1	796192003	SXDHAHGBMDIWRW-UHFFFAOYSA-N	361.192	2.167	10	10	FECE	
C[C@@H](NC[C@@]1(NC(=O)OC(C)(C)C)CCOC1)c1ccc(O)cc1O	688538181	UXOQEYVFNMUBHP-XIKOKIGWSA-N	352.431	2.432	10	10	FECE	
CCS(=O)(=O)c1ccc([C@H](C)NC(=O)Cc2ccc(O)c(O)c2)cc1	1140427859	AFVDBDPCYDOOAT-LBPRGKRZSA-N	363.435	2.311	10	10	FECE	
CC1(C)[C@@H](CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1(F)F	1327961702	YREHROAIGMKKGL-OAHLLOKOSA-N	365.424	2.311	10	10	FECE	
COc1ccc(C)cc1N1C[C@H](C(=O)NCc2c(O)cccc2O)CC1=O	1178905709	REJWIBBGPMIZKE-CYBMUJFWSA-N	370.405	2.084	10	10	FECE	
CCC[C@H](C)[C@H](CO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1251501185	NSILAUGZEAHGHI-SNRMKQJTSA-N	364.534	2.452	10	10	FECE	
Cc1cc(C(=O)N2CC[C@](O)(CN(C)C)C2)c(C)n1-c1ccc(F)cc1	1471372717	UMOYEUJZSDWJQD-FQEVSTJZSA-N	359.445	2.372	10	10	FECE	
CC(C)[C@@H](C(=O)NCc1cccc(O)c1O)S(=O)(=O)C1CCCCC1	1471644761	YHWHIDDXOQQIJC-KRWDZBQOSA-N	369.483	2.486	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](CC)N1CCO[C@@H](CC)C1	1568738056	YGOACBPRCLFGKK-GJZGRUSLSA-N	355.475	2.384	10	10	FECE	
C/C=C(\C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1	1573167207	WVJAMZYSMVYOTQ-FCXKZRAQSA-N	361.442	2.080	10	10	FECE	
CC(C)C(=O)NCCn1c(C2CC2)nnc1N(C)Cc1ccccc1O	1750570653	QIDHSCCDJSBXCB-UHFFFAOYSA-N	357.458	2.270	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H]3CCS[C@@H]3C)CC2)c(OC)c1	1682466451	MXKNRSKGACRNBN-HIFRSBDPSA-N	365.499	2.429	10	10	FECE	
CCC[C@@](C)(O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1685610045	UFNZHNAIHMGMEP-IEBWSBKVSA-N	350.507	2.206	10	10	FECE	
C[C@H](NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccccc1O	1877550013	WEFMBYTZYNXZRM-HEHGZKQESA-N	364.442	2.187	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CCO)(CNCc2cc(F)cc(F)c2O)C1	1972799463	FKRMURXCLUFSCL-UHFFFAOYSA-N	372.412	2.380	10	10	FECE	
C[C@@H](NCc1cc(Br)ccc1O)[C@@H]1CCCS(=O)(=O)C1	2146102756	IFCHYMMEZSQXEX-GHMZBOCLSA-N	362.289	2.458	10	10	FECE	
CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NCc2cc(N)ccc2O)C1	1999479677	GIRATACIEDQDBJ-XMMPIXPASA-N	355.460	2.192	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CNCC[C@@]1(O)CCOC1	708098258	GHLJRZNJNKPBGY-CYBMUJFWSA-N	350.640	2.439	10	10	FECE	
O=S1(=O)CCC[C@H](NCc2cc(Br)cc(F)c2O)CC1	715825835	GEHJILWIAHVSFN-NSHDSACASA-N	366.252	2.351	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1	934705161	SFKADLDGGHYKGD-GJZGRUSLSA-N	364.442	2.280	10	10	FECE	
Oc1ccc(CNC[C@]23CN(Cc4ccccc4)C[C@@H]2CCO3)c(O)c1O	2175201195	FEWYTKZABCTCEE-UWJYYQICSA-N	370.449	2.184	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CC(F)(F)F)C(=O)C(=O)C[C@H]1C[C@H](N)C1	1906903996	CXDPSJTWHUTFNK-OPRDCNLKSA-N	352.353	2.098	10	10	FECE	
C[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)CC[C@@H]1NC(=O)OC(C)(C)C	2054413175	LJARPGPRSXIDGJ-YPMHNXCESA-N	350.415	2.473	10	10	FECE	
CN(C[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1)C(=O)OC(C)(C)C	2054412625	FUCMWUYPAVSIDB-GFCCVEGCSA-N	350.415	2.427	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2060634458	ZUJVKRXSHAAFNO-BLLLJJGKSA-N	353.423	2.050	10	10	FECE	
C[C@H]1CN(CC(=O)N(C)c2ccc(N)cc2)CCN1C(=O)OC(C)(C)C	2106663797	DPLWMUIKVXIBFC-AWEZNQCLSA-N	362.474	2.173	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](NC(=O)c2ccc(O)c(O)c2)C1	2219127288	QXENRBHBJZLPTN-VXGBXAGGSA-N	354.378	2.175	10	10	FECE	
COc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)cc(Cl)c1O	2293276342	KUIWEMNAWDTKLV-UHFFFAOYSA-N	359.812	2.340	10	10	FECE	
COC(=O)CCN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S	2296779644	DTAGRDPUKVYLOF-UHFFFAOYSA-N	352.393	2.359	10	10	FECE	
O=C(Cc1cccc(O)c1)NCc1ccc(N2CCC(O)CC2)c(F)c1	101647752	GEJWMEXVXJHNFY-UHFFFAOYSA-N	358.413	2.351	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@H](N2CC=CC2)C1	174032657	WTUZBGLFGODAID-IBGZPJMESA-N	372.538	2.396	10	10	FECE	
COc1ccc2c(c1)CN(c1cc3c(cc1[N+](=O)[O-])OCC(=O)N3)CC2	301631815	UDEREXCLUGWSTA-UHFFFAOYSA-N	355.350	2.497	10	10	FECE	
COC[C@H](O)CN1CCC(N[C@@H](C)c2cc3c(cc2O)CCCC3)CC1	186194796	PGUGBFVWCKGTBD-HNAYVOBHSA-N	362.514	2.393	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)NC[C@@H]1CCOC1	126145100	UHOCKYSWQAMSAL-IBGZPJMESA-N	372.513	2.054	10	10	FECE	
C[C@@H](CCN1CCN(C)CC1)N[C@@H](C)c1ccc(N2CCC(O)CC2)cc1	186588529	GUMZPJJRBCSHLM-OALUTQOASA-N	374.573	2.324	10	10	FECE	
COc1cc(Cl)cc(CN2CCO[C@H](Cn3cc(C)cn3)C2)c1O	184690850	GGRWZXMKZJUSJG-HNNXBMFYSA-N	351.834	2.460	10	10	FECE	
C[C@@H]1C[C@@H]1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	80023665	UQZRDPKPLVLISL-SKDRFNHKSA-N	352.437	2.393	10	10	FECE	
Cc1ccc(O)c(CN2CCN(c3nc(C)nc4c3cnn4C)CC2)c1	93273356	ZIAPTKOKFKHKFS-UHFFFAOYSA-N	352.442	2.008	10	10	FECE	
C[C@@H](CO)[C@@H](C)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	295711419	KEKMUHABXRNYPE-QWHCGFSZSA-N	366.417	2.007	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3[C@H]4CC[C@H]3[C@H](CO)C4)CC2)cc1	812024654	PRGWWVZLWLDIMP-FNHZYXHNSA-N	359.470	2.219	10	10	FECE	
COC(=O)c1cc(O)ccc1NS(=O)(=O)CC1Cc2ccccc2C1	821191261	LPHCIYUUPBJOIJ-UHFFFAOYSA-N	361.419	2.336	10	10	FECE	
Cc1cc(C(=O)N2CC[C@H](CN3CCOC3=O)C2)c(C)n1-c1ccccn1	832993636	WYKHSIIWMIBUGH-INIZCTEOSA-N	368.437	2.403	10	10	FECE	
Cc1cc(CCNC(=O)N2CCNC(=O)[C@@H]2C)c(C)n1-c1ccccc1	730114837	FYHRPPPOACBXQB-INIZCTEOSA-N	354.454	2.167	10	10	FECE	
CN(C)c1ccc(/C=C\CNc2ccn(CCN3CCOCC3)n2)cc1	835044418	ZVKVLUVGHBSDAJ-ARJAWSKDSA-N	355.486	2.407	10	10	FECE	
Cc1cc(C(=O)N[C@@H](CO)c2ccnn2C)c(C)n1-c1ccc(F)cc1	838058921	IKSHDBJDFSVWSA-KRWDZBQOSA-N	356.401	2.430	10	10	FECE	
NCC(F)(F)CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	846673738	DTVXZDVRLNDTBW-LLVKDONJSA-N	363.355	2.357	10	10	FECE	
O=C(NCCC1(CO)CCC1)NCc1ccc(N2CCOCC2)c(F)c1	844897501	NLQAOKHZYZZUMF-UHFFFAOYSA-N	365.449	2.014	10	10	FECE	
Cc1cc(C(=O)N2C[C@@H](C)N(CCO)C[C@H]2C)c(C)n1-c1ccccn1	841455306	SFYRUQAXIJGOPS-HZPDHXFCSA-N	356.470	2.016	10	10	FECE	
C[C@H](NC(=O)C(=O)NCCc1ccc(N)cc1)C1CCC(F)(F)CC1	848613558	KUQDFSOSIMFXTO-LBPRGKRZSA-N	353.413	2.258	10	10	FECE	
C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccns1	925053911	AIRUELKASVJZNL-CYBMUJFWSA-N	351.497	2.229	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H](N)c3ccccc3OC)C2)cc1	851640001	OVHNCLZYWLJTCB-KUHUBIRLSA-N	355.438	2.099	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)C3[C@@H]4CCCC[C@@H]34)nc12	750918474	ZJMQNWUSZDAUJX-VXGBXAGGSA-N	359.382	2.091	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=S)NCc3cc(C)on3)C2)cc1	865239459	OHIOMTBAQKBLID-AWEZNQCLSA-N	360.483	2.482	10	10	FECE	
Cn1cc(-c2noc(-c3ccc(-n4cccc4)c(F)c3)n2)c(O)nc1=O	771189980	SQMIRKSBJDZUQI-UHFFFAOYSA-N	353.313	2.133	10	10	FECE	
CN(C)[C@]1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCSC1	896835909	SMFXXNROUKZVCN-INIZCTEOSA-N	352.481	2.480	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cnn4c(OC)cccc34)C2)cc1	898581198	UZXDXAIRXUWSPZ-AWEZNQCLSA-N	366.421	2.360	10	10	FECE	
C[C@H](NC(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(N(C)C)cc1	790833279	BUSBKKIOIMKYPM-YSVLISHTSA-N	351.491	2.271	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCCn1ccnc1	1152400751	FNYBWHXCLDGFJX-UHFFFAOYSA-N	365.817	2.224	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CC[C@H]2[C@@H](C1)C2(F)F	1233603180	BHGCGUJHJFECAM-DLBZAZTESA-N	365.424	2.444	10	10	FECE	
C[C@H]1C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)N(C(=O)OC(C)(C)C)C1	2124308396	PNMOIZMYWONDQR-JSGCOSHPSA-N	364.442	2.402	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cccc(O)c2O)C(C)(C)C1	1645692006	NMCMKZHLSOCUEK-CYBMUJFWSA-N	350.415	2.473	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)[C@@H]3C[C@@H]3[C@@H]3C[C@@H]3C)CC2)cc1	1442475424	RLONYSGPXGASKC-YGWPLHOASA-N	357.498	2.226	10	10	FECE	
CC[C@@H](C)[C@@H](OC)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1	1287485801	YOWGMFKJSRFINX-RDTXWAMCSA-N	350.459	2.414	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@@]3(C)CC(C)(C)OC3=O)C2)cc1	1519458264	XTDVOFOAJBIDPQ-YJYMSZOUSA-N	361.442	2.057	10	10	FECE	
CCn1nnnc1NC(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2	1525713802	XGENBUPNGBVECI-UHFFFAOYSA-N	354.414	2.174	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NCc2ccc(O)c(O)c2)CC1	1921715775	KHYWXQNRWWKLPR-HUUCEWRRSA-N	366.458	2.195	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N2CCOc3cc(F)c(F)cc32)c1	1586423433	CNTFXTAGWZYLRY-NSCUHMNNSA-N	359.332	2.158	10	10	FECE	
C[C@H](N[C@H]1COCC[C@H]1NC(=O)OC(C)(C)C)c1ccc(O)cc1O	2031531935	GMLZMKVKJIURNA-GLQYFDAESA-N	352.431	2.431	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060612112	CJNUYXQGQQIJLF-JHJVBQTASA-N	353.423	2.170	10	10	FECE	
COC[C@]1(C(=O)N2CC(N=[N+]=[N-])C2)CCCCN1C(=O)OC(C)(C)C	2060617068	JEXPNZSVALEKRQ-INIZCTEOSA-N	353.423	2.314	10	10	FECE	
CCN(C[C@H](C)NC(=O)OC(C)(C)C)C(=O)c1cc(O)c(O)c(O)c1	2068618691	SRDQCPGMZVHTQD-JTQLQIEISA-N	354.403	2.179	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1CC[C@H](CNC(=O)OC(C)(C)C)C1	2106652109	WATUGTIWRCXQPS-ZIAGYGMSSA-N	362.474	2.442	10	10	FECE	
CC(C)(C)OC(=O)NCCc1nc(=NCc2c(O)cccc2F)s[nH]1	2222326680	ILUJVUTYVSNAST-UHFFFAOYSA-N	368.434	2.484	10	10	FECE	
C[C@H](O)CN(CCNC(=O)OC(C)(C)C)c1ccc2c(c1)OCCO2	2257630307	HDGYRPBYKQMKCV-ZDUSSCGKSA-N	352.431	2.170	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2264512028	JNUMOIGQQQOYNH-ZIAGYGMSSA-N	367.450	2.296	10	10	FECE	
Cc1cc(C=C2C(=O)NC(=O)N(C)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1	2293571091	SJYKAVWSVREAIA-UHFFFAOYSA-N	368.349	2.094	10	10	FECE	
CO[C@H]1[C@H]([C@H](N)c2ccccc2O)N(C(=O)OC(C)(C)C)C[C@H]1OC	2311985415	BYFJWRDQVDSBSJ-LVQVYYBASA-N	352.431	2.041	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H]1CCCN1C1CN(C(=O)OC(C)(C)C)C1	2337779251	IZNDUJTYHKRWBY-AWEZNQCLSA-N	366.466	2.229	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3CCC[C@@H](N(C)C)C3)CC2)cc1	176636261	OJPMDVWPBUVZIU-SJLPKXTDSA-N	360.502	2.400	10	10	FECE	
O=C(c1cn2cccnc2n1)N(Cc1ccccc1O)C[C@@H]1CCCO1	117975723	UKEMSAYDOHVUFP-HNNXBMFYSA-N	352.394	2.256	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc(-c4ccccn4)[nH]n3)CC2)cc1	21090461	BPBAIXXNOJQBNS-UHFFFAOYSA-N	363.421	2.443	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H]3CN(C(C)C)C[C@@H]3C)CC2)cc1	176850623	ZILZBCOEVUNBSI-LPHOPBHVSA-N	360.502	2.256	10	10	FECE	
CCN1CCN(C2=NC(=O)/C(=C\c3ccc(OC)c(OC)c3)S2)CC1	33309067	JXIANOOQEPDHNU-FOWTUZBSSA-N	361.467	2.312	10	10	FECE	
CN(C)c1ccc(CN(C(=O)CNC(=O)c2ccccn2)C2CC2)cc1	265730119	ATDKMZWLMKYZGW-UHFFFAOYSA-N	352.438	2.069	10	10	FECE	
COc1ccc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)cc1	292387308	HVEGPRGSHNQDCM-UHFFFAOYSA-N	350.426	2.496	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCc1ccc(Cl)cn1	806720806	DTBSPBVWWDZNKU-UHFFFAOYSA-N	360.845	2.042	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCC12CCOCC2	823519778	NRVVFHAUNRHMOG-UHFFFAOYSA-N	359.470	2.112	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N2C[C@@H]3CCCN3c3ccccc32)c1	731971882	FUAALPILOAPPJU-JJEJIETFSA-N	362.433	2.470	10	10	FECE	
O=C1C[C@@H](c2ccccc2)N(C(=O)/C=C\c2ccc(O)c(O)c2)CCN1	588403982	RWPYJGYUEMSFHL-GQSKFBFOSA-N	352.390	2.201	10	10	FECE	
Cc1cc(C(=O)N2CCS(=O)(=O)[C@H]3CCC[C@H]32)c(C)n1-c1ccccn1	837096767	OFTVEHQOXVIXEZ-SJORKVTESA-N	373.478	2.281	10	10	FECE	
CCN1C[C@H](COC(=O)c2csc(Cc3ccc(N)cc3)n2)OC1=O	848741402	WSCIRHGOHNTBEG-CYBMUJFWSA-N	361.423	2.314	10	10	FECE	
CCO[C@@H]1C[C@@H](NC(=O)NCc2cc(Cl)ccc2O)[C@@H]1n1cccn1	845223095	HMZGWGZRYKSMAS-BMFZPTHFSA-N	364.833	2.460	10	10	FECE	
CN(C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)c1ccc(C(C)(C)C)cc1	918685735	TYTZYKUUBMOHAS-GHXNOFRVSA-N	355.438	2.058	10	10	FECE	
Cc1cc(CN2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)ccc1N(C)C	852340933	ZTCCHDFQERQCCF-ZFWWWQNUSA-N	364.433	2.468	10	10	FECE	
COC(=O)[C@](C)(CCF)NC(=O)c1csc(Cc2ccc(N)cc2)n1	851645320	FDWVFQZYKTWXAY-KRWDZBQOSA-N	365.430	2.337	10	10	FECE	
COc1ccc(N2CC[C@@H](CNS(=O)(=O)[C@@H]3COC(C)(C)C3)C2)cc1	859196135	LVSHATIDBGYGLN-YOEHRIQHSA-N	368.499	2.008	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)NC[C@@]3(O)C[C@H]4C=C[C@H]3C4)C2)cc1	854188039	VMECJNJMVVMICH-IAGYGMIVSA-N	371.481	2.148	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1ccc(=O)c2ccccc21	753640159	KTNTUTZSGXPVKC-CYBMUJFWSA-N	352.390	2.160	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H]4[C@H](CCCN4C)C3)C2)cc1	854300497	URXSOAKKIWATIL-FUHIMQAGSA-N	372.513	2.400	10	10	FECE	
COCC[C@@H](NC(=O)Cc1cc(C)n(-c2ccccc2)c1C)C(=O)OC	854532733	BGBYQIXAJIZUBA-GOSISDBHSA-N	358.438	2.331	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C\COC1CCOCC1	864634280	JQICUQGGMKQSNZ-IHWYPQMZSA-N	374.481	2.233	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)c1c[nH]c(C(=O)N2CCCC2)c1	862028227	UURDMBZPQRUOMT-UHFFFAOYSA-N	364.405	2.435	10	10	FECE	
Cn1nc(-c2ccsc2)cc1NC(=O)C(=O)NCc1ccccc1O	787481975	WNFPZJLISCDPPG-UHFFFAOYSA-N	356.407	2.109	10	10	FECE	
CC(C)(C)OC(=O)NCc1cn(C2CN(Cc3ccccc3O)C2)nn1	895705231	WNLFNCQZUSMSQN-UHFFFAOYSA-N	359.430	2.065	10	10	FECE	
COc1ccc(CNC[C@@H]2C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1	2116205912	OPXIFLOKOIIRPN-NUTKFTJISA-N	366.458	2.155	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3c(F)ccc4nc[nH]c34)cc2)CC1	1176083446	KKKIDLLYGXXDRI-UHFFFAOYSA-N	367.428	2.384	10	10	FECE	
CC(C)(C)OC(=O)N1[C@@H](CNC(=O)c2cccc(O)c2O)COC1(C)C	2118182562	XQTPJJOLAQBSMF-NSHDSACASA-N	366.414	2.200	10	10	FECE	
Nc1ccc(CCNC(=O)C(=O)NCC2CCc3ccccc3CC2)cc1	1328990097	VQDMDOZDZPESRS-UHFFFAOYSA-N	365.477	2.239	10	10	FECE	
CC1(C)CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(O)c(O)c(O)c1	2132403360	JDBLINPNACPMOL-QGZVFWFLSA-N	356.422	2.444	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@H]2CCOC2)n1CC1(O)CCCC1	1503488818	WTZUQLVYNCKHHF-INIZCTEOSA-N	372.469	2.429	10	10	FECE	
COc1cccc(CNC(=O)c2cc(C(=O)OC(C)(C)C)nn2C)c1O	1445970816	QOUFFPIRQPYQAX-UHFFFAOYSA-N	361.398	2.020	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCCN1C(=O)CCC1=O	1531694770	VAMAYVHVYWDBFL-UHFFFAOYSA-N	357.454	2.174	10	10	FECE	
Cc1cc(=O)c(C(=O)NCc2cccc(Br)c2O)cn1C	1472556238	HIDNWTQTYWSNHB-UHFFFAOYSA-N	351.200	2.092	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](NC(=O)Cc1ccc(O)c(O)c1)C1CC1	1544348188	MMAYETJVTPJQMR-ZDUSSCGKSA-N	350.415	2.060	10	10	FECE	
O=C(NC1CCCCC1)C1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1	1627403514	FPPLXFCLEXZBRT-UHFFFAOYSA-N	360.454	2.328	10	10	FECE	
COC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)c1cccc(O)c1O	1645091027	IAWYJKCEAJDQQH-CQSZACIVSA-N	355.346	2.358	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)NCc2c(O)cccc2O)C1(F)F	1647290785	SKFNWVBEYORVBE-ZWNOBZJWSA-N	372.368	2.120	10	10	FECE	
COC(=O)CCN1C(=O)/C(=C/c2ccccc2C(=O)O)SC1=S	206830314	ITAHMEXGBUTVFL-FLIBITNWSA-N	351.405	2.149	10	10	FECE	
COCCCN1C(=O)/C(=C\c2ccc(N3CCOCC3)o2)SC1=S	205771115	FNWODNUXRFCTBK-ACCUITESSA-N	368.480	2.354	10	10	FECE	
CN[C@@H]1C(=O)Nc2cc(N(C)[C@H]3CCO[C@@H]3C)c(Br)cc21	159704633	RKFQRHLHNADPJE-XOZVTBISSA-N	354.248	2.275	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CC[C@@H](N=[N+]=[N-])C2)CC1	2060639103	DXGQWMFOUQOUPX-GFCCVEGCSA-N	353.423	2.050	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1cncs1)C(=O)N1CC[C@@H](N=[N+]=[N-])C1	2060610732	KYPYWPDTVQUAHV-PWSUYJOCSA-N	366.447	2.490	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(C(=O)NCC2(CN=[N+]=[N-])CC2)CCCO1	2060636149	USUHKFYXJRNERV-INIZCTEOSA-N	353.423	2.267	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@@H](F)CN1C(=O)COc1ccc(N)cc1	2106721581	MVCYKLKXQNISRJ-TZMCWYRMSA-N	367.421	2.111	10	10	FECE	
CN(C)c1ccc([C@@H](N)[C@](C)(O)COCCNC(=O)OC(C)(C)C)cc1	2106852878	KPZSMYRSJIAKTJ-VQIMIIECSA-N	367.490	2.045	10	10	FECE	
COc1ccc(N2C[C@@H](O)CC23CN(C(=O)OC(C)(C)C)C3)cc1F	2219614595	KXOBFWSMRGJFLR-ZDUSSCGKSA-N	352.406	2.395	10	10	FECE	
O=S(=O)(C1CN(c2ccc(CO)c(Br)c2)C1)C(F)(F)F	2237659318	WZHUZGCCRBITQR-UHFFFAOYSA-N	374.178	2.065	10	10	FECE	
CN(C)CCN(CCNC(=O)OC(C)(C)C)CCc1ccc(N)cc1	2254619024	BFBXUCNSQQFOON-UHFFFAOYSA-N	350.507	2.200	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1	2278889211	ZZUORGLNBBALKE-DCGLDWPTSA-N	365.434	2.171	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC[C@H](N=[N+]=[N-])C2)C[C@@H]2OCCC[C@@H]21	2334723071	KZBWWSNNNRQPJW-MRHIQRDNSA-N	365.434	2.360	10	10	FECE	
O=C(NCc1cc(Cl)cc(Cl)c1O)C1CC2(C1)CS(=O)(=O)C2	1263824341	HEUPNUNLKRZOKC-UHFFFAOYSA-N	364.250	2.140	10	10	FECE	
COCCN1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1C	172326633	HOQQWVLFDPBWJS-QGZVFWFLSA-N	360.502	2.149	10	10	FECE	
Cc1cnn(Cc2cc(C(=O)NCc3ccc(N(C)C)c(F)c3)no2)c1	124598986	VCFNLBWWBFADJJ-UHFFFAOYSA-N	357.389	2.363	10	10	FECE	
CC1CCN(c2ccc(CNS(=O)(=O)NCC(F)(F)F)cc2)CC1	195235388	OKZQMGAJDLAUOO-UHFFFAOYSA-N	365.421	2.409	10	10	FECE	
COCCOCCNC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	443999122	XVHNVFKZHFDPAY-UHFFFAOYSA-N	373.497	2.187	10	10	FECE	
Cc1ccc(CN(C)C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)o1	285796396	VDRMEUZUYGOKKD-UHFFFAOYSA-N	355.438	2.245	10	10	FECE	
COC(=O)c1ccc(CNCc2cc3c(cc2O)OCO3)nc1C1CC1	809758355	KLISZJAWOOYHHW-UHFFFAOYSA-N	356.378	2.470	10	10	FECE	
CN[C@H](CN1CCN(C(=O)OC(C)(C)C)CC1)c1ccc2c(c1)CCN2C	2163141822	YPNQWQDRIPXNPG-GOSISDBHSA-N	374.529	2.492	10	10	FECE	
CNC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1	808115069	MZTUFTXJLCOYBS-UHFFFAOYSA-N	358.778	2.345	10	10	FECE	
Cn1ccc(N2CCC[C@@H](NCc3cc(Cl)c(F)cc3O)C2=O)n1	293686507	RWLIKLHSPZLLSY-CYBMUJFWSA-N	352.797	2.203	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)NCc3cccc(C)c3)C2)cc1	826872257	JSRVIEANWRCPKA-KRWDZBQOSA-N	367.449	2.015	10	10	FECE	
CNC(=O)NC(=O)CN1CCCc2cc(OCc3ccccc3)ccc21	734486254	IIMGNICDRDTNPF-UHFFFAOYSA-N	353.422	2.474	10	10	FECE	
C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)/C=C\c1ccc(O)c(O)c1	588407671	ZKWIWSGRHJEZCR-JWJUJFCLSA-N	365.389	2.026	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C[C@H]3CCOC3)C3CC3)C2)cc1	854301520	QBCCBWBAJHFVAH-CVEARBPZSA-N	359.470	2.484	10	10	FECE	
CCN(C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	854298708	ADZGOIVYYUSVMT-IRXDYDNUSA-N	360.502	2.257	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@H](C)c3nccn3C)C2)cc1	852388077	WYXMJOLFKAYLQC-HUUCEWRRSA-N	357.458	2.315	10	10	FECE	
COC[C@@H](CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1)C(C)C	923337445	PLGFAKSXODZCBZ-QGZVFWFLSA-N	363.502	2.366	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN[C@@H](C)c3cscn3)CC2)cc1	852420113	OLQXRXDAQCALOI-AWEZNQCLSA-N	360.483	2.151	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)Cn3ccc(C(F)F)n3)C2)cc1	862034737	AVNDBOOSGFJSJY-ZDUSSCGKSA-N	364.396	2.472	10	10	FECE	
O=C1OC[C@]2(CNCc3cc(-c4ccccc4)ccc3O)COCCN12	865768668	OCOYWPIUFVMLEP-FQEVSTJZSA-N	354.406	2.370	10	10	FECE	
CNC(=O)[C@H]1CCN(C(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)C1	862016639	RZLXZWKHWMNKMI-KRWDZBQOSA-N	367.449	2.423	10	10	FECE	
COC(=O)[C@@H]1O[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C[C@H]1C	868357507	ZBZKCXMNAJDNQI-TWPQKTAQSA-N	362.209	2.282	10	10	FECE	
Cc1ccc(F)c(-n2cc(O)c(C(=O)NCCc3ccc(O)c(O)c3)n2)c1	1137464848	SPADKGIIMPAVJT-UHFFFAOYSA-N	371.368	2.409	10	10	FECE	
COC(=O)[C@@H]1[C@H](CNC2CCN(c3ccc(OC)cc3)CC2)C1(F)F	894216917	WQCVUTOJYPIAGG-HOTGVXAUSA-N	354.397	2.308	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CN(C)C1CCC1	1152401731	OQIYWSWFRNAEQD-UHFFFAOYSA-N	354.834	2.032	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CNC(=O)COc1ccc(N)cc1	1905991817	NYSUTIXKPBIIAT-RCBQFDQVSA-N	361.442	2.019	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1(C)Oc2ccccc2NC1=O	1353245108	JFWQXVXLVPHEQZ-HXUWFJFHSA-N	353.422	2.467	10	10	FECE	
O=C(CCN1C(=O)CSC1=S)Nc1ccc(Br)cn1	1865767623	AARVHPLILSFTCU-UHFFFAOYSA-N	360.258	2.033	10	10	FECE	
O=C1C[C@@H](Cc2ccc(C(=O)NCc3cc(Cl)ccc3O)cc2)C(=O)N1	1557385931	MOVRXVFENZGWPD-CYBMUJFWSA-N	372.808	2.181	10	10	FECE	
COc1cccc(O)c1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	1626153630	FZOKKXHWOYYNON-UHFFFAOYSA-N	360.385	2.307	10	10	FECE	
CC(C)n1ncc2cc(/C=C\C(=O)NCc3c(O)cccc3O)c(=O)[nH]c21	1635843170	HVLAPIKACNIJQN-SREVYHEPSA-N	368.393	2.046	10	10	FECE	
Cc1cc(CC(=O)NC2CN(c3ccncn3)C2)c(C)n1-c1ccccc1	1632570904	SPDLVBDLOJNIFZ-UHFFFAOYSA-N	361.449	2.432	10	10	FECE	
COC(=O)[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1c1ccccc1	1570092306	LWPAXCVYUNRJGC-HZPDHXFCSA-N	355.390	2.056	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H]2CCOC[C@H]2NC(=O)OC(C)(C)C)c1O	2139749941	AOLQDOWAVPNRCF-HUUCEWRRSA-N	364.442	2.247	10	10	FECE	
CCOCCCN1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C	1692240576	OQBSAVWLDPCVQE-CJNGLKHVSA-N	361.446	2.468	10	10	FECE	
COc1cccc(CNc2cccc(CC(=O)N3CCN(C)CC3)c2)c1O	152431084	SZMBIVAUCUJUFH-UHFFFAOYSA-N	369.465	2.329	10	10	FECE	
COc1ccc(CNC2(C(N)=O)CCN(Cc3ccccc3)CC2)c(O)c1	2154498628	SKUKOYXRIPVXSA-UHFFFAOYSA-N	369.465	2.011	10	10	FECE	
C[C@H]1CN(c2ccc([C@@H](C)N)c(Br)c2)C[C@H](C)S1(=O)=O	400886812	JQQDDRNAPMLJNT-GARJFASQSA-N	361.305	2.481	10	10	FECE	
CC(C)(C)OC(=O)N1CC([C@@H](F)CNCc2ccc(O)c(O)c2O)C1	2050113142	NMMFRGQWNHEXOF-LBPRGKRZSA-N	356.394	2.098	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NCc3cc(F)ccc3O)[C@H]2C1	2057955603	ZNRFCPYEUNUENF-FMKPAKJESA-N	352.406	2.255	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060633948	UAOGTBMIGPUHGE-FRRDWIJNSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COCC[C@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060633951	UAOGTBMIGPUHGE-UPJWGTAASA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1CN=[N+]=[N-])C1(O)CCC1	2067738950	DCDBFFFTRYGCHX-NWDGAFQWSA-N	353.423	2.096	10	10	FECE	
C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1c1cc2c(cc1N)OCC(=O)N2	2106878550	QFZIEZXJFUWLGQ-QWRGUYRKSA-N	362.430	2.092	10	10	FECE	
O=C(O)COC1CN(Cc2cc(Cl)cc(Br)c2O)C1	2088562505	PYAVVFRENYIVMA-UHFFFAOYSA-N	350.596	2.094	10	10	FECE	
C[C@@H](NC(=O)[C@]12C[C@](NC(=O)OC(C)(C)C)(CO1)C2)c1ccccc1O	2266014866	NXNMMYMYTAISQB-QQGDVQBRSA-N	362.426	2.396	10	10	FECE	
COCC[C@@H](CNCc1cc2c(cc1O)OCO2)NC(=O)OC(C)(C)C	2225570098	XHLURSVFJJEVMW-ZDUSSCGKSA-N	368.430	2.140	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N[C@H]1c2ccccc2C[C@H]1O	2302056807	BKDMPDSOKPOMHE-IRLDBZIGSA-N	364.445	2.311	10	10	FECE	
Cc1nc([C@@H](NC(=O)C=Cc2ccc(O)c(O)c2)c2ccccc2)n[nH]1	2308000916	ZIFUOBCBHDYTMJ-SFHVURJKSA-N	350.378	2.443	10	10	FECE	
COc1ccc(O)c(CN[C@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1	2330888197	RYIXIMIWBDSLDS-HLLBOEOZSA-N	364.442	2.125	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCc2cc(O)c(O)cc2C1)C1CC1	2341192611	SJEVVYZZEPERKG-INIZCTEOSA-N	362.426	2.286	10	10	FECE	
COc1ccc(OC)c([C@H]2CC(=O)NC(NC(=O)c3ccccc3C)=N2)c1	20925206	VRBJGRQICYDXLG-MRXNPFEDSA-N	367.405	2.359	10	10	FECE	
C[C@H]1CCCN(CCNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1	108777034	WSEGHDHTANGVBJ-YOCVDRLZSA-N	357.498	2.385	10	10	FECE	
CN(C)c1ccc(CN2CCN(Cc3ccc(C(N)=O)cc3)CC2)cc1	179991425	QBHGAVFNHKTCFB-UHFFFAOYSA-N	352.482	2.169	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC[C@@H](Cn3ccnn3)C2)c([N+](=O)[O-])c1	128554381	MKOVEIKVCUNFJM-KEDPEKRHSA-N	371.397	2.289	10	10	FECE	
CCc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(N3CCOCC3)c(F)c1)CC2	180631857	IUMPWDFSBVCSSA-GOEBONIOSA-N	373.476	2.482	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCC(=O)N(C)C3)c2C)cc1	131054287	MSDOMCXBDATWJB-OAHLLOKOSA-N	355.438	2.453	10	10	FECE	
COC(=O)C[C@@H](N)c1cc(Br)cc(Br)c1O	95637991	MVMDWULAZSDYGC-MRVPVSSYSA-N	353.010	2.480	10	10	FECE	
CC(=O)N1CCC[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	98076532	LJVMVYHNXVDIEK-VQTJNVASSA-N	373.497	2.271	10	10	FECE	
O=C(Nc1ccc(I)cn1)c1ccc(O)c(O)c1	236571755	XFRXHUHOKAZWKX-UHFFFAOYSA-N	356.119	2.350	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C2	819485284	ROXLGZMOVPAIKF-MXAVVETBSA-N	362.426	2.012	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)N[C@H]3C[C@@H]4C[C@@H]4C3)CC2)cc1	824144470	AWNGPPWGGXUBNW-BCDXTJNWSA-N	372.513	2.305	10	10	FECE	
CO[C@@H]1COCC[C@H]1CC(=O)NCc1ccc(N2CCSCC2)cc1	822586632	VNRADFSKJGQPFQ-FUHWJXTLSA-N	364.511	2.298	10	10	FECE	
CC[C@@H](NCCS(=O)(=O)N=S(C)(C)=O)c1cc(Cl)ccc1O	903226861	PWEHGNZKVUQNHG-GFCCVEGCSA-N	368.908	2.144	10	10	FECE	
COC(=O)c1cncc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	822001193	RHLDNFQAKQKDTM-CQSZACIVSA-N	370.409	2.277	10	10	FECE	
Cc1cc(Cl)cc(CNCC2(N3CCOCC3)CCOCC2)c1O	839166299	YKJIKEBREBPZFY-UHFFFAOYSA-N	354.878	2.325	10	10	FECE	
CC[C@H](O)[C@@H](C)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	901286286	GTNLYIDEWALGCH-UZLBHIALSA-N	359.514	2.242	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCN(CCOc2ccccc2)CC1	588403866	XXYQQNXROXMAEA-CLFYSBASSA-N	368.433	2.334	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc4c([nH]3)CCOC4)CC2)cc1F	837461946	NBGKFEIYMLUGSF-UHFFFAOYSA-N	359.401	2.198	10	10	FECE	
CC(C)(C)OC(=O)C1(CNCc2cc3c(cc2O)OCO3)CCOCC1	842741000	YVQUBAGNIFQWER-UHFFFAOYSA-N	365.426	2.349	10	10	FECE	
O=C(O)c1cnn2c(O)cc(CN3Cc4ccccc4C4(CC4)C3)nc12	846253509	KDHOZAFYIOJNJF-UHFFFAOYSA-N	350.378	2.181	10	10	FECE	
Cc1cc(CC(=O)NCc2nc(CO)n[nH]2)c(C)n1-c1ccc(Cl)cc1	912941437	NUKKOHYUHZRVNQ-UHFFFAOYSA-N	373.844	2.217	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCc1cc(C(N)=O)co1	840350621	HYLYYNGGNACRQQ-CYBMUJFWSA-N	358.442	2.183	10	10	FECE	
COc1cccc(CNC(=O)NCC2(N)C3CC4CC(C3)CC2C4)c1O	842013133	PNXYGXUOTYIMEL-UHFFFAOYSA-N	359.470	2.354	10	10	FECE	
CCS(=O)(=O)CCN[C@@H](C)c1cc(Br)cc(OC)c1O	848524718	LLSPJVZCQMUNHR-VIFPVBQESA-N	366.277	2.249	10	10	FECE	
NC[C@H](NC(=O)NCc1cc(Br)ccc1O)C1CCCC1	841989538	ZEJFBXOUDGKRAU-ZDUSSCGKSA-N	356.264	2.471	10	10	FECE	
CO[C@@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@H]1CCOC1	854276217	KWRGVVVMRMNJEI-LPHOPBHVSA-N	361.486	2.478	10	10	FECE	
COC(=O)C[C@@H]1CN(C(=O)NCCCSc2nccs2)C[C@H]1C	921447736	RIERJOKVFCISDK-VXGBXAGGSA-N	357.501	2.466	10	10	FECE	
COc1cc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc(OC)c1OC	758935896	MANIEZYSBCENBG-UHFFFAOYSA-N	374.397	2.342	10	10	FECE	
CCCN(CCC)c1ccc(CN[C@@H]2CS(=O)(=O)C[C@H]2OC)cc1	850359260	BTXMZGZIEMMIKI-QZTJIDSGSA-N	354.516	2.215	10	10	FECE	
CO[C@H](CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCOC1	850484867	SIYDKEINYFHQMI-ZSZQSSIHSA-N	352.450	2.364	10	10	FECE	
O=C(NCc1c(O)cccc1F)[C@@H](C[C@H]1COCCO1)C(F)(F)F	928713060	ZRYFXBWBSJSRLR-GXSJLCMTSA-N	351.296	2.132	10	10	FECE	
CC1(C)C[C@H](NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C[C@H](N)C1	925775812	AMUOCEQLTCWAPA-ZWKOTPCHSA-N	358.530	2.384	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN3CCCCC[C@H]3C)CC2)cc1	754044079	RMZMETJLHYBNQE-QUCCMNQESA-N	361.530	2.443	10	10	FECE	
COc1cc(Br)cc([C@H](C)NC[C@H](O)[C@@H]2CCCO2)c1O	858472342	YFCKWRKQAOKTOH-XDTLVQLUSA-N	360.248	2.354	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN[C@H](C(C)C)C3CC3)CC2)cc1	853117638	YMLHEDWULSXVNU-PZJWPPBQSA-N	361.530	2.202	10	10	FECE	
CSc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)ccn1	767154403	FFGSJSLKGQLLMH-UHFFFAOYSA-N	353.425	2.133	10	10	FECE	
CCON(CC)C(=O)CNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1	862624187	CUGJFDMDLKUTIU-UHFFFAOYSA-N	371.437	2.436	10	10	FECE	
CCn1ccc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)c1C	1119448588	KDFWACIXIJUBEK-UHFFFAOYSA-N	368.481	2.448	10	10	FECE	
CCC[C@@H](C)CCNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1	1119463629	JWIYIKFZUOHYKK-MRXNPFEDSA-N	361.486	2.082	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2scnc2C2CC2)c1	770149113	CCLXQJPLMOTLEB-UHFFFAOYSA-N	353.425	2.350	10	10	FECE	
O=C(CCCc1nc(O)c2ccccc2n1)NCc1cccc(O)c1O	1303193261	JARKKAWUKTVXBW-UHFFFAOYSA-N	353.378	2.386	10	10	FECE	
C[C@@H](N[C@H](C)c1nc(-c2nc[nH]n2)no1)c1ccc(N2CCOCC2)cc1	1307641599	HSZPNRJNQHNDEF-CHWSQXEVSA-N	369.429	2.103	10	10	FECE	
O=C(C(=O)N1Cc2cccc(O)c2C1)N1CCC(c2ccccn2)CC1	1329786706	KZHBWMPLOQNJBL-UHFFFAOYSA-N	351.406	2.036	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)C1=NO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1	2124506559	YVYCOWTWPCXAIZ-MRXNPFEDSA-N	366.422	2.301	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCC[C@H](N=[N+]=[N-])C2)C[C@H]2OCC[C@H]21	2124503468	LLLQKKVXEMIPGU-RFQIPJPRSA-N	365.434	2.455	10	10	FECE	
COC(=O)CCCCCNCc1ccc(N2CCN(C)CC2)c(F)c1	1347211422	KOWYXQXZCXFZDA-UHFFFAOYSA-N	351.466	2.401	10	10	FECE	
COc1cccc(CNC(=O)c2ccncc2NC(=O)C(F)(F)F)c1O	1294925652	SILWUBJBHOXUDL-UHFFFAOYSA-N	369.299	2.227	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@@H]([C@H]2CCCO2)C2(CO)CCC2)cc1	1452435879	HRAVEJZGDLNAMM-CABCVRRESA-N	360.414	2.289	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)cc1	1294554469	DYIBFEPLQZBCSR-HOTGVXAUSA-N	359.430	2.222	10	10	FECE	
Cc1cc(C)n(CC(=O)N(C)Cc2ccc(N3CCCC3)cc2)c(=O)n1	1539467796	DRANSPRLZZYAKN-UHFFFAOYSA-N	354.454	2.119	10	10	FECE	
CCc1nc(O)c(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1C	1471562938	BFTPXJIEQLMQCJ-UHFFFAOYSA-N	368.481	2.340	10	10	FECE	
Cn1nc(C(F)(F)F)c2cc(C(=O)NCc3ccc(O)c(O)c3)cnc21	1635959279	HLSGGRXIRXRAGD-UHFFFAOYSA-N	366.299	2.328	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)N[C@@H]3CC(C)(C)CC[C@H]3O)cc2)CC1	1638007654	RFRVTFLNTSRBOV-RTBURBONSA-N	374.529	2.177	10	10	FECE	
COc1ccccc1N1CC[C@H](CNC(=O)Cc2ccc(O)c(O)c2)C1	1632066630	YJTFCVVYBVQPOG-OAHLLOKOSA-N	356.422	2.292	10	10	FECE	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cnc2c[nH]nc2c1	1570168158	PTQQWHPJPUMIFP-UHFFFAOYSA-N	373.363	2.003	10	10	FECE	
C[C@H](NC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1O	1642831260	VAGLNNZKUXYNNK-VIFPVBQESA-N	354.815	2.184	10	10	FECE	
C[C@H](NC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1)c1ccccc1O	1648892267	SSCLMSJCVPRCRL-HNHYXYPQSA-N	358.419	2.274	10	10	FECE	
CC(C)(C)OC(=O)NCCc1nnc(NC(=O)Nc2ccc(N)cc2)o1	2138782934	GALVLKUQTLATRF-UHFFFAOYSA-N	362.390	2.363	10	10	FECE	
COC(=O)c1ccc(N=c2[nH]c(-c3ccccc3)ncc2C(=O)O)c(O)c1	1859859236	HHQKQLNQVWNXKP-UHFFFAOYSA-N	365.345	2.500	10	10	FECE	
Oc1ccc(CN[C@@H]2CN(Cc3ccccc3)[C@]3(CCOC3)C2)c(O)c1O	2154521877	XIINZGVHJKVFCY-LAUBAEHRSA-N	370.449	2.327	10	10	FECE	
COc1ccc(O)c([C@H](C)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c1	2032622194	GPIHOJCCOIOGPW-GLQYFDAESA-N	352.431	2.344	10	10	FECE	
CN1C(=O)[C@H](O)c2ccc(N3C[C@@H]4CCN(Cc5ccccc5)[C@@H]4C3)cc21	2188872034	MXLQGHDMUNFFQN-ZLGUVYLKSA-N	363.461	2.407	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(C)C(=O)N1CCC(N=[N+]=[N-])CC1	2060634173	WNAJXYJQZUJSLX-MLGOLLRUSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2060634717	CSGHUANXEOFWAB-OLZOCXBDSA-N	355.439	2.201	10	10	FECE	
C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2060634904	FKJILXUTCJBDAC-UPJWGTAASA-N	355.439	2.200	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC(N=[N+]=[N-])CC1)C1(O)CCC1	2067739374	HFQBJVZCNYVVEG-LBPRGKRZSA-N	353.423	2.096	10	10	FECE	
CC(C)(CCNC(=O)OC(C)(C)C)NC(=O)c1cc(O)c(O)c(O)c1	2068617919	MNJTWAIXMHODGP-UHFFFAOYSA-N	354.403	2.227	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C12CCC2	2072029152	KJZARBVBIXDQDY-PWNZVWSESA-N	350.459	2.336	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)NCCCCN=[N+]=[N-])[C@H](O)C(C)(C)C	2072688158	KDPRVVHUMCQRSW-NEPJUHHUSA-N	357.455	2.493	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](NC(=O)COc2ccc(N)cc2)C(C)(C)C1	2106234986	IXISEWFTPVWOPT-HNNXBMFYSA-N	363.458	2.409	10	10	FECE	
CN1CCc2cc([C@H](O)[C@@H]3[C@H]4OCCN(C(=O)OC(C)(C)C)[C@@H]43)ccc21	2106789302	XMPSVVJWRUXQET-ZJPYXAASSA-N	360.454	2.347	10	10	FECE	
CN(C)CCN(C[C@H](N)c1ccc2c(c1)CCN2C)C(=O)OC(C)(C)C	2106852328	DVVBZWHMQLEFHK-KRWDZBQOSA-N	362.518	2.477	10	10	FECE	
CC(C)(C)OC(=O)N1CCOCC[C@H]1C(=O)NCc1ccccc1O	2257523084	BZNXXGHHZGIDEC-AWEZNQCLSA-N	350.415	2.034	10	10	FECE	
Cc1ccc(-n2c(C)cc(C=CC(=O)N3C[C@@H](O)C[C@H]3CO)c2C)cc1	2309907003	OUPSBHRFQUAXLV-PMACEKPBSA-N	354.450	2.370	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H]1COC2(CNC(=O)OC(C)(C)C)CC1C2	2342985723	PXXPYVMPOZPHRK-UIORMTCPSA-N	367.450	2.465	10	10	FECE	
CCCC(=O)NC(=S)Nc1cc(OC)c(OC)cc1N1CCOCC1	20496596	TZSNCVIJZWYCNI-UHFFFAOYSA-N	367.471	2.154	10	10	FECE	
CN(C)c1ccc(CNCc2cccc([C@]3(C)NC(=O)NC3=O)c2)cc1	171131195	UPRHUOPQMZSQMO-FQEVSTJZSA-N	352.438	2.097	10	10	FECE	
CCCOc1ccc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)c(O)c1	179893705	QAPOTGGVCKGZPJ-QGZVFWFLSA-N	362.470	2.252	10	10	FECE	
CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1	66931680	LYXVBTSCMWYLHL-MLGOLLRUSA-N	352.454	2.371	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(Cn3cc(C)cn3)on2)c1	131506855	JLJXMOAQZRLBGR-LBPRGKRZSA-N	356.382	2.433	10	10	FECE	
COc1ccc(Br)c(CN(C)[C@@H](C)CS(C)(=O)=O)c1O	1964572303	NCZNQUDOZCGCJY-VIFPVBQESA-N	366.277	2.028	10	10	FECE	
O=C(OCc1ccccc1)N1C[C@H](c2cccc(O)c2O)[C@@H]([N+](=O)[O-])C1	382740627	ZGHPATGSQWQMIX-CABCVRRESA-N	358.350	2.479	10	10	FECE	
CN(C[C@@H](O)CNCc1ccc(N2CC=CC2)cc1)C(=O)OC(C)(C)C	819095173	ATKLCQONLYXEMG-SFHVURJKSA-N	361.486	2.380	10	10	FECE	
C[C@H](NC1CC(CC(N)=O)C1)c1ccc(N2CCOCC2)cc1Cl	903261775	XUZUTYWBOOYJSC-HSBZDZAISA-N	351.878	2.481	10	10	FECE	
CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)/C=C\c1ccc(O)c(O)c1	588533447	YRAZQPHKFMCMPJ-ZBWFSNBTSA-N	357.410	2.364	10	10	FECE	
COC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)N(C)Cc1ccc(N(C)C)cc1	831670760	QXZAOZAEFAFBQY-MSOLQXFVSA-N	361.486	2.032	10	10	FECE	
COCc1ccc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)o1	917833154	NCKBFDPTAPMQJS-HNNXBMFYSA-N	371.437	2.058	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc(-n4ccnn4)cc3)C2)cc1	855233643	JUPIFUMOLOBWHH-MRXNPFEDSA-N	363.421	2.285	10	10	FECE	
COC(=O)CC(C)(C)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	923181702	ARIDTSWUESNHPV-CQSZACIVSA-N	363.458	2.162	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H]1CCOC1(C)C	852685376	GPFUMZJCGHEZCX-KRWDZBQOSA-N	361.486	2.480	10	10	FECE	
CC[C@@H]1CN([C@H](CC)C(=O)NCc2ccc3cccnc3c2O)CCO1	862026702	XMPBLAJGABUZKT-IAGOWNOFSA-N	357.454	2.446	10	10	FECE	
Cc1cc(C2(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)CCOCC2)on1	860697073	MXYOCDNWGIYDIO-GFCCVEGCSA-N	360.410	2.190	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCCC1CCS(=O)(=O)CC1	768753823	FJBPNELXDCYTCL-UHFFFAOYSA-N	367.515	2.109	10	10	FECE	
CC(=O)NCCCOC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	769665979	YSQVHRKYHOVOBA-UHFFFAOYSA-N	371.481	2.477	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCC(O)(C(C)C)CC3)C2)cc1	1123660889	YNZGUUAZAOWBNL-INIZCTEOSA-N	361.486	2.466	10	10	FECE	
CC(C)/C=C/C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	785058434	IAQHIJYNDSJFOJ-ZZXKWVIFSA-N	364.417	2.034	10	10	FECE	
C[C@H](CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)n1cccc1	894597263	JTHDXOOUZILKST-MRXNPFEDSA-N	368.481	2.457	10	10	FECE	
CC(C)N(CCc1nccs1)C(=O)C(=O)NCc1ccc(N(C)C)cc1	785428305	KCWYLVOYJGQFPH-UHFFFAOYSA-N	374.510	2.305	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3nc[nH]c3C(C)(C)C)cc2)CC1	1176083704	RNVNCKFFHHHAFC-UHFFFAOYSA-N	355.486	2.389	10	10	FECE	
C[C@H]1COC[C@H](C(=O)N(C)Cc2ccccc2O)N1C(=O)OC(C)(C)C	2124184608	XTPGRHGRINDISQ-DZGCQCFKSA-N	364.442	2.375	10	10	FECE	
Cn1ncc(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)c1CNC(=O)OC(C)(C)C	2124502617	AYSFJOXFNBXRQF-NSHDSACASA-N	363.422	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1CC(NCc2ccc3c(c2)CCCO3)(C(=O)O)C1	1913501985	XQLRPICQFOQHSU-UHFFFAOYSA-N	362.426	2.175	10	10	FECE	
CN(C)c1ccc(CNC(=O)[C@H](O)C(C)(C)NC(=O)OC(C)(C)C)cc1	2136183854	PRDJOQKSXLYEEC-HNNXBMFYSA-N	365.474	2.033	10	10	FECE	
CON(C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C(C)C	2136262022	QBMXTZBXIIJCDD-ZDUSSCGKSA-N	368.430	2.332	10	10	FECE	
COC(=O)c1cn(CC(=O)NCc2cc(O)ccc2O)c2ccccc12	1471660696	IVYQJMVINOVVMT-UHFFFAOYSA-N	354.362	2.156	10	10	FECE	
CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)c2ccccc2O)c1	1557967369	AKFAPFUZUXVVOX-JTQLQIEISA-N	368.842	2.445	10	10	FECE	
Cc1ccc(O)c(CNC(=O)Cn2c(S)nc3ccccc3c2=O)c1	1629737349	XNHMEXMSCNVJMM-UHFFFAOYSA-N	355.419	2.016	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCC1(CN2CCOCC2)CCCCC1	1566264017	OSMRCVMVYCTNAK-UHFFFAOYSA-N	362.470	2.039	10	10	FECE	
CC(=O)N/C(=C/C1=S=CC=C1)C(=O)Nc1ccc(-c2nnc(C)o2)cc1	1586497337	RKZDMALXFXVVEF-MHWRWJLKSA-N	368.418	2.281	10	10	FECE	
CS(=O)(=O)c1ccccc1CNC(=O)NCc1cc(Cl)ccc1O	1683192562	POPBJZMEPIXAFY-UHFFFAOYSA-N	368.842	2.449	10	10	FECE	
Cc1cccc(CNC(=O)c2cc(CNC(=O)OC(C)(C)C)[nH]n2)c1O	2139750674	KNVJCNFYROXBDC-UHFFFAOYSA-N	360.414	2.378	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccn2ccnc2c1	152778378	MGKHNWHUTJEYHK-UHFFFAOYSA-N	354.385	2.240	10	10	FECE	
O=C1CCCN1C[C@H](O)CN1CCCc2cc(OC(F)(F)F)ccc21	157583132	FIOLBXCFRIAASL-CYBMUJFWSA-N	358.360	2.321	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H](O)Cc3ccc(F)cc3)CC2)cc1	1858125297	KTLMTFBJOWBXDR-IBGZPJMESA-N	358.413	2.087	10	10	FECE	
CN(C)c1ccc(CNCCC(=O)NCc2ccc3c(c2)OCO3)cc1	1857858960	PYGWMVBHXKGPLV-UHFFFAOYSA-N	355.438	2.277	10	10	FECE	
CCCN1C(=O)C(=CNc2ccc(Br)cc2)C(=O)NC1=S	2040475597	MVHJAHRUSJBLIY-UHFFFAOYSA-N	368.256	2.398	10	10	FECE	
C[C@H](COCc1ccccc1)NS(=O)(=O)CCOc1ccc(N)cc1	390425293	MBEGEXPFOKCGBN-OAHLLOKOSA-N	364.467	2.172	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(O)c2O)CC(F)(F)C1	1148212303	WPONUPNAWNMQOT-UHFFFAOYSA-N	372.368	2.426	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CCC(=O)c3ccccc32)=C[C@@H]1O	2188019719	HYUFUICFNDDLSN-YOEHRIQHSA-N	372.421	2.190	10	10	FECE	
CCOC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccccc1O	2072480981	BUKNGDNQSXPLKS-JSGCOSHPSA-N	352.431	2.499	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](O)(CNCc2ccc(F)cc2O)C1	2084178223	ZLNORLPIDIAWTM-GOSISDBHSA-N	354.422	2.383	10	10	FECE	
CN(CCOc1ccc(N)cc1)C[C@H]1COCCN1C(=O)OC(C)(C)C	2106764636	JQQPCOFAMBMKNX-INIZCTEOSA-N	365.474	2.215	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)[C@H](O)C1CN(C(=O)OC(C)(C)C)C1	2106851906	ZGJKJFDZOMXHKP-QZTJIDSGSA-N	361.486	2.167	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)[C@@H]2CCC[C@@H]12	2309639016	FUFSSPXQNNYBEV-PKJRCAFQSA-N	350.459	2.191	10	10	FECE	
CCN1C(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)NC1=S	6951124	FMEOCGGMEIQCKS-WEVVVXLNSA-N	357.229	2.241	10	10	FECE	
O=C1COc2ccccc2N1CCCNCc1cc([N+](=O)[O-])ccc1O	174520657	CSOHJVUAHMHULV-UHFFFAOYSA-N	357.366	2.206	10	10	FECE	
O=C1N=C(N2CCCCC2)S/C1=C\c1cnc(N2CCOCC2)s1	171350631	VYRDBYGMQWVKFO-RAXLEYEMSA-N	364.496	2.436	10	10	FECE	
COc1ccc(C(=O)NC2=N[C@@H](c3ccccc3F)CC(=O)N2)cc1OC	20924689	QIIKBXOBKCFIHT-CQSZACIVSA-N	371.368	2.190	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(c2cccnn2)C1	120202947	XYLJJPFEENKLIE-HXUWFJFHSA-N	367.497	2.414	10	10	FECE	
COc1ccc(N(Cc2ccco2)C[C@H](O)CN2CCCC2=O)cc1F	125442165	RFHHNXGOAXFNND-OAHLLOKOSA-N	362.401	2.417	10	10	FECE	
O=S(=O)(c1cccs1)N1CCN(c2ccc3c(c2)OCCO3)CC1	41380291	OPKXDZPITPMZIM-UHFFFAOYSA-N	366.464	2.030	10	10	FECE	
CCCN(CC(=O)OCC)C(=O)/C=C\c1ccc(N2CCOCC2)cc1	254989375	QOZASOQRKROGFG-YFHOEESVSA-N	360.454	2.338	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CCCC[C@@H]2CCS(C)(=O)=O)c1O	367831295	HGLRVNYMYMARNE-CYBMUJFWSA-N	372.443	2.098	10	10	FECE	
CCOc1cccc(CNC2(CCO)CN(C(=O)OC(C)(C)C)C2)c1O	398004127	PMOGXEPBLNECCB-UHFFFAOYSA-N	366.458	2.252	10	10	FECE	
COC(=O)C1(C(=O)NCc2ccc(N3CCOCC3)cc2)CC2(CCC2)C1	823295664	MXUVYHWWZCPXHX-UHFFFAOYSA-N	372.465	2.263	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N[C@@H]1CC[C@H]2C[C@@H]2C1	834594368	RXMKLYYQPXHCAE-GVDBMIGSSA-N	373.522	2.161	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@H](O[C@@H](N)Cc2ccc(O)c(O)c2)C1	1952757592	AADHBPIDYNPPMN-XJKSGUPXSA-N	352.431	2.341	10	10	FECE	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CC[C@H]1C(=O)O	911368792	GWPVAXQHGKCQOB-QLFBSQMISA-N	366.845	2.237	10	10	FECE	
Cc1cc(O)c(CN2CCN([C@@H](C)C(=O)NC3CC3)CC2)c(Cl)c1	840910982	ZGKAEKSCUZAITN-ZDUSSCGKSA-N	351.878	2.139	10	10	FECE	
Cc1cc(C(=O)CN2CCn3nncc3C2)c(C)n1-c1ccc(Cl)cn1	847022956	FCCFVUONILCYKP-UHFFFAOYSA-N	370.844	2.433	10	10	FECE	
O=C(NCCCc1nnc2n1CCCCC2)NCc1c(O)cccc1F	916424944	MFJDMGLGTDOIBT-UHFFFAOYSA-N	361.421	2.281	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)CONC(=N)c3cn(C)nn3)c2C)c1	842654572	XXXUXYGYXNKGIO-UHFFFAOYSA-N	366.425	2.261	10	10	FECE	
C[C@H](NC(=O)NCc1ccccc1O)c1cccc(NS(C)(=O)=O)c1	748459258	DZFFDPVMEHQHLC-LBPRGKRZSA-N	363.439	2.324	10	10	FECE	
COc1ccc(N2CC[C@@H](N3C(=O)N[C@H](c4cccc(O)c4)C3=O)C2)cc1	849356934	ICRFOXQPUMFDGS-CRAIPNDOSA-N	367.405	2.273	10	10	FECE	
COCC(C)(C)CC(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	840593200	UTTXKZNHXWXKCZ-UHFFFAOYSA-N	350.459	2.317	10	10	FECE	
CCN1C[C@@H](COC(=O)c2csc(Cc3ccc(N)cc3)n2)OC1=O	848741403	WSCIRHGOHNTBEG-ZDUSSCGKSA-N	361.423	2.314	10	10	FECE	
NC/C=C\CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	841779272	PKZIMZIRKDRQDD-UPHRSURJSA-N	354.401	2.071	10	10	FECE	
CC(C)CN(C)CCCNC(=O)NCc1ccc(N2CCOCC2)cc1	844910367	OWCDMTJXBGXDHH-UHFFFAOYSA-N	362.518	2.300	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CC(=O)N(C)c3ccccc3C2)c1O	857881102	CCIGWRLAZGIVIS-UHFFFAOYSA-N	357.366	2.288	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)NCC(O)(C3CC3)C3CC3)C2)cc1	854187225	IZTLMAQLDCAEMT-OAHLLOKOSA-N	373.497	2.372	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2Cc3ccccc3N(C)C2=O)c1	850500794	KDUVHOSFSDWXQP-LRDDRELGSA-N	354.406	2.417	10	10	FECE	
CC1(C)C[C@@H](S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CO1	859001736	ZFSSSTWKNDJSEJ-JKSUJKDBSA-N	369.483	2.271	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C3CC3)[C@@H](CO)C3CC3)C2)cc1	854297688	QXPQJUKVONUZCJ-VDGAXYAQSA-N	373.497	2.370	10	10	FECE	
CN(C)c1ccc(CN(C(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)C2CC2)cc1	926652521	ULEAMHVPTONIRN-MNEFBYGVSA-N	359.470	2.231	10	10	FECE	
O=C(CCNCc1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1	692446153	XXWXAYKIDRNPLL-UHFFFAOYSA-N	371.456	2.458	10	10	FECE	
CNc1nccc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1[N+](=O)[O-]	855222999	AOZLGFVDDGPMSH-GFCCVEGCSA-N	371.397	2.049	10	10	FECE	
CNC(=O)NC(=O)[C@@H](C)OC(=O)Cc1cc(C)n(-c2ccccc2)c1C	853935294	YEJHPKCXWZNYFY-CQSZACIVSA-N	357.410	2.024	10	10	FECE	
O=C(Cc1cn2c(n1)CCCC2)NCc1ccc(N2CCC(O)CC2)cc1	856209436	NMSLDPVJPMDDFP-UHFFFAOYSA-N	368.481	2.039	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CCN(C(C)(C)C)C3)C2)cc1	852447431	AZPYVRYPZUSGCR-HZPDHXFCSA-N	360.502	2.446	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)N[C@H]3C[C@@H](C(N)=O)C3)c2C)c1	858586418	VKTNYMMQFIAVHB-WOVMCDHWSA-N	354.454	2.466	10	10	FECE	
Cc1cc(C(=O)CN2CC[C@H](NC(N)=O)C2)c(C)n1-c1ccc(F)cc1	762927298	ZWMPENZNOMRBHX-HNNXBMFYSA-N	358.417	2.159	10	10	FECE	
CNC(=O)NC[C@H]1CCCCN1C(=O)c1cc(C)n(-c2ccccn2)c1C	870767824	XWGKCJKWKUCEDE-MRXNPFEDSA-N	369.469	2.413	10	10	FECE	
COC(=O)c1c(CN[C@H](CO)C[C@H]2CCCO2)c2cc(F)ccc2n1C	895748163	KBGOWSCWYZDTFM-UONOGXRCSA-N	364.417	2.124	10	10	FECE	
COC(=O)c1c(CNCCNc2cnccn2)c2cc(F)ccc2n1C	894330468	OLPUSAXKHGRTCA-UHFFFAOYSA-N	357.389	2.096	10	10	FECE	
Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CCC[C@H]2CN=[N+]=[N-])cn1	2124536737	SLJOKEMJUFRVEX-QWHCGFSZSA-N	363.422	2.287	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCCN(CC(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C1	2124505737	PCEKGKDLSLNRRL-ZIAGYGMSSA-N	366.466	2.277	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C1	2124534162	HLSZOYKJPASACG-MCIONIFRSA-N	367.450	2.296	10	10	FECE	
CCC[C@@H]1CCCN1C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1	1198431258	WHJVZBVBQIPCPU-QUCCMNQESA-N	361.530	2.443	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCCCN(C(=O)c2cc(O)c(O)c(O)c2)C1	2132401642	VAIGQWGORJQPTO-GFCCVEGCSA-N	366.414	2.323	10	10	FECE	
O=C(Cn1c(S)nnc1-c1cccs1)NCc1cc(O)ccc1O	1455356037	GOBZMDJABMLICA-UHFFFAOYSA-N	362.436	2.023	10	10	FECE	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	1470021456	YKFTZHXGISQLEN-JCGIZDLHSA-N	360.454	2.370	10	10	FECE	
CCON(CC)CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	1473727732	MSZQFSQBRWGXAZ-GJZGRUSLSA-N	367.465	2.329	10	10	FECE	
COc1cc(N2CCO[C@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC	1612084682	RGHRERLDEMQTEQ-HNNXBMFYSA-N	368.386	2.159	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccncc3NC(C)=O)CC2)cc1F	1622579013	MSUFLEBZWPYFQL-UHFFFAOYSA-N	372.400	2.150	10	10	FECE	
COC(=O)c1cc(NC(=O)Cc2ccc(O)c(O)c2)c(OC)c(OC)c1	1629100471	MPYKPFRGRZGKTJ-UHFFFAOYSA-N	361.350	2.083	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H](C)n1cccn1	1566848876	BLGXBLOQLAYABX-LLVKDONJSA-N	351.790	2.005	10	10	FECE	
CCc1nc(C(=O)NCc2c(O)cccc2O)nn1-c1ccccc1F	1652625803	MMUURLPQGWUZLV-UHFFFAOYSA-N	356.357	2.310	10	10	FECE	
Cc1cccc(CNC(=O)[C@]2(CNC(=O)OC(C)(C)C)CCCO2)c1O	2139742278	BOHFOJHYAKQOGV-LJQANCHMSA-N	364.442	2.391	10	10	FECE	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cn1cn[nH]c1=O	157333334	NZRSROIJALSBCH-AWEZNQCLSA-N	352.394	2.067	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(C(=O)NCCCCN=[N+]=[N-])(CO1)C2	1964943566	NEPHVTMZVCQRPG-UHFFFAOYSA-N	353.423	2.267	10	10	FECE	
CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2CC(N=[N+]=[N-])C2)C1	2010391742	AXAGTMOSPNPBJF-QAPCUYQASA-N	373.413	2.324	10	10	FECE	
COC(=O)[C@@]1(NCCN=[N+]=[N-])CN(Cc2ccccc2)[C@@]2(CCCOC2)C1	2156287519	HFCPEABRTPBFCA-OALUTQOASA-N	373.457	2.253	10	10	FECE	
C[C@@H]([C@@H](C)N(C)c1cc(Br)c(CN)cc1F)S(C)(=O)=O	2170629988	HUAZBJBWVYFEGJ-BDAKNGLRSA-N	367.284	2.305	10	10	FECE	
C[C@H](C[S@](C)(=O)=NC(=O)Cc1ccc(N)cc1)NC(=O)OC(C)(C)C	2044650482	NDGVEXASZRVMMD-YDBLSZJJSA-N	369.487	2.349	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2060613684	UIZHXPYWSLPXJZ-AVGNSLFASA-N	353.423	2.048	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@H](CNC(=O)OC(C)(C)C)[C@@H]1CCOC1	2060613576	STMUSPZWGXIJHH-CHWSQXEVSA-N	355.439	2.323	10	10	FECE	
C[C@@H]1CN([C@H](C)C(=O)Nc2ccc(N)cc2)C[C@H]1NC(=O)OC(C)(C)C	2106662451	PAQJNGCJIPLKSU-XJKCOSOUSA-N	362.474	2.441	10	10	FECE	
CCN[C@H](c1ccc2c(c1)CCN2C)C1(O)CN(C(=O)OC(C)(C)C)C1	2106854242	AQPXQAISVXOISD-QGZVFWFLSA-N	361.486	2.311	10	10	FECE	
CN1CCCc2cc([C@H](N)[C@H](O)[C@@H]3CCN3C(=O)OC(C)(C)C)ccc21	2106944181	LDHLEMMOINBCEY-OKZBNKHCSA-N	361.486	2.439	10	10	FECE	
CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)C1[C@H]2CNC[C@H]1COC2	2111467780	HNJSFZOZROPBOL-HOTGVXAUSA-N	361.486	2.382	10	10	FECE	
CC(C)(C)OC(=O)NCCO[C@H]1CCN(C(=O)Nc2ccc(N)cc2)C1	2112697795	SUHZASSNCBJYNZ-HNNXBMFYSA-N	364.446	2.416	10	10	FECE	
C[C@](NC(=O)C(F)(F)F)(C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-])C(F)(F)F	2218746680	XYDCJMHLABKICH-JHEQGTHGSA-N	361.246	2.334	10	10	FECE	
COc1ccc(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)c(CN)c1	2227673055	MIJBTSXNKMGJPG-OAQYLSRUSA-N	355.482	2.227	10	10	FECE	
CN[C@H](c1ccccc1O)[C@H]1[C@@H](OC)[C@@H](OC)CN1C(=O)OC(C)(C)C	2333221825	WCEIQMRDEJODJB-YVSFHVDLSA-N	366.458	2.302	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)COc1ccc(N)cc1	2341164273	XAZYASWBIHNFGK-NOLJZWGESA-N	361.442	2.162	10	10	FECE	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\NCc2ccccc2F)C1=O	100104005	SSVVQMFLWHUJCB-SDNWHVSQSA-N	353.353	2.391	10	10	FECE	
Cc1ccc(N/C=C2/C(=O)NN=C2c2c(O)c3ccccc3n(C)c2=O)cc1	100261057	URZNMKCXZBCOMF-RVDMUPIBSA-N	374.400	2.382	10	10	FECE	
CCOc1cc(C)nc(N2CCN(Cc3cccc(OC)c3O)CC2)n1	121530794	CHARIFLMURAOGG-UHFFFAOYSA-N	358.442	2.220	10	10	FECE	
Cc1cc(C(=O)CN2CCN(C[C@H](C)O)CC2)c(C)n1-c1ccc(F)cc1	189287682	FTPLJNJOOOBGFI-INIZCTEOSA-N	373.472	2.414	10	10	FECE	
Cc1c(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)cccc1N(C)C	180382952	DWJYCRSOZKEVHY-UHFFFAOYSA-N	354.454	2.382	10	10	FECE	
COc1cc(N(C)C[C@H](O)CN2CCC(C)CC2)cc(OC)c1OC	131066636	BWFJKRIOEUGGBR-INIZCTEOSA-N	352.475	2.241	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H]2c2ccco2)c1	94152819	DCUVSFGHVYBFTQ-CYBMUJFWSA-N	350.396	2.334	10	10	FECE	
COCCOC[C@H]1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1	266232964	JTCDDZUJRMCAHH-DRDHIDPGSA-N	364.398	2.270	10	10	FECE	
CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	274260755	YHKKSCNPHXWDEH-SGMGOOAPSA-N	366.483	2.093	10	10	FECE	
NS(=O)(=O)C[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1	271177825	LAXWLEJRBHRWCU-QGZVFWFLSA-N	351.516	2.177	10	10	FECE	
CC[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCO1	817154784	PGZLYQPEZNGLJX-HZPDHXFCSA-N	365.449	2.419	10	10	FECE	
Cc1ccc(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)c(O)c1O	727005225	LDJOWGMTDPUPMS-UHFFFAOYSA-N	354.362	2.200	10	10	FECE	
COC[C@@]1(C(=O)OC)CCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1O	827489854	WHTFSGGHLGENAA-OAHLLOKOSA-N	358.778	2.108	10	10	FECE	
Cc1nc(C)n(C[C@H]2CCCN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)n1	588408027	WQEOLVRBKMHJGB-IOBAAEILSA-N	356.426	2.258	10	10	FECE	
Cc1ccncc1S(=O)(=O)NCc1ccc(N2CCSCC2)cc1	830056582	FUKCFXJBUKMOLO-UHFFFAOYSA-N	363.508	2.422	10	10	FECE	
CN(C)c1ccc([C@@H](N)CNC(=O)CCc2nc(C(C)(C)C)no2)cc1	832300381	UTQBBLLJUHYJEI-HNNXBMFYSA-N	359.474	2.182	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N2C[C@H](C)Oc3ccc(OC)cc32)c1	742004629	GNLRMEJPCYUDJJ-LVDDQXARSA-N	367.405	2.277	10	10	FECE	
CC[C@@H]1CN(c2ccccc2)CCN1C(=O)C(=O)Nc1ccc(N)cc1	841107781	LGJPGHVAKDPCPM-QGZVFWFLSA-N	352.438	2.335	10	10	FECE	
C[C@H]1CNCC[C@H]1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	842266106	PIBCKDJRNNIFPB-MAUKXSAKSA-N	373.497	2.168	10	10	FECE	
COc1cc(O)c(CN[C@H]2CS(=O)(=O)Cc3ccccc32)cc1OC	857059006	XVZVJVFBGINBAZ-HNNXBMFYSA-N	363.435	2.169	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Nc3cccc(OCCN)c3)C2)cc1	850748471	IPDCPSAITDDRHW-INIZCTEOSA-N	370.453	2.433	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)N[C@H]3CC34CCCC4)CC2)cc1	758525580	WNFOWYLHANFQDV-IBGZPJMESA-N	372.513	2.449	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](C)c2ccnn2C)cc1	867307308	NZKXDQDUWCOUBT-OAHLLOKOSA-N	371.485	2.102	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)[C@H]1CC(=O)N(C2CCCC2)C1	862029188	UOLSSFQXEJSUGS-HNNXBMFYSA-N	353.422	2.348	10	10	FECE	
C[C@@H]1CC[C@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CN1	861805679	JBKXTHFDNQORSJ-WBVHZDCISA-N	373.497	2.310	10	10	FECE	
COc1ccc(N2CC[C@@H](Nc3c(F)cccc3S(N)(=O)=O)C2)cc1	865932071	NQEDVRXJGPUZTB-GFCCVEGCSA-N	365.430	2.173	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CCCS1(=O)=O	874108249	QNNVNQIDKPLXHH-QGZVFWFLSA-N	352.500	2.457	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ncc(C)cc3O)CC2)c(OC)c1	870167144	BWRMPTGTUJHWAT-UHFFFAOYSA-N	357.410	2.075	10	10	FECE	
COc1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)nn1C	775921629	NWJHJWBFQGJSTE-AWEZNQCLSA-N	360.414	2.347	10	10	FECE	
COc1cc2c(cc1OC)CCN(C(=O)Cc1ccc(O)c(O)c1)CC2	1136387992	FFXSAYQQDGGNEA-UHFFFAOYSA-N	357.406	2.285	10	10	FECE	
CCNS(=O)(=O)c1ccc(F)c(C(=O)NCc2cc(C)ccc2O)c1	1167294079	XKMFCJZWZXTONE-UHFFFAOYSA-N	366.414	2.068	10	10	FECE	
CO[C@H](C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1)C1CN(C(=O)OC(C)(C)C)C1	2124532254	JHPBDWOZGWMXTD-JSGCOSHPSA-N	367.450	2.417	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1)C1COC1	2124537900	CXFQDPWRWBSWSJ-JSGCOSHPSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCC[C@@H]1CN=[N+]=[N-])[C@H]1CCOC1	2124506750	AJGXIIPUUCZBDD-MJBXVCDLSA-N	367.450	2.465	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H]1C[C@H]1c1ccccc1	1323760853	HCFJTTCYPIWPNJ-VQTJNVASSA-N	361.445	2.351	10	10	FECE	
O=C(O)[C@H](C[C@@H]1CCOC1)NCc1cc(Br)cc(F)c1O	1262163538	WRXIGOSFZOGYAX-UFBFGSQYSA-N	362.195	2.263	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@@H]2COCCN2C)n1CC1CC1	1345110714	DCSFZFXHKRRUHU-INIZCTEOSA-N	357.458	2.033	10	10	FECE	
Cc1noc([C@@H]2OCC[C@@H]2NC(=O)NCc2cc(Cl)ccc2O)n1	1479066129	XAYVTTKQUZQOMU-WCQYABFASA-N	352.778	2.066	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)NCc1ccc(O)cc1O	1626838331	XAVSTZSMCSKOKC-LLVKDONJSA-N	360.357	2.263	10	10	FECE	
CCN(CC)CCO[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1	1629611703	TWHDSRBVXOCFME-INIZCTEOSA-N	361.446	2.422	10	10	FECE	
COc1cc(O)c(CN2CCC(N3CCO[C@H](C)C3)CC2)cc1OC	160234672	RJRGOTUJVSJFDX-CQSZACIVSA-N	350.459	2.095	10	10	FECE	
NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(Br)cc(F)c1O	894537068	HETIKMXAJJKNLW-QWRKXWFKSA-N	357.223	2.380	10	10	FECE	
CCNCc1ccc(N(CC)CCS(C)(=O)=O)c(Br)c1	688530059	UOURAEOQGJKXSO-UHFFFAOYSA-N	363.321	2.430	10	10	FECE	
C[C@]1(C(=O)O)CN(Cc2cc(Cl)cc(Br)c2O)CCO1	708106056	QJEZJSHZCZBVBY-CYBMUJFWSA-N	364.623	2.484	10	10	FECE	
CN(c1cc(Br)c(CN)cc1F)C1CC(S(C)(=O)=O)C1	716057456	TVRBXLKIMJVETG-UHFFFAOYSA-N	365.268	2.059	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@@H]1CN=[N+]=[N-])[C@H]1CCOC1	2060621517	OLFSFOJNOKCKKD-XQQFMLRXSA-N	353.423	2.218	10	10	FECE	
CCc1cccc(CN[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)c1O	2070053412	IJICWBAZQNBQMZ-IBGZPJMESA-N	350.459	2.416	10	10	FECE	
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccccc1O	2072481894	MHLHFTUPYUKVHK-JMSVASOKSA-N	352.431	2.498	10	10	FECE	
COc1ccc(N2CC[C@@]3(CN(C(=O)OC(C)(C)C)CCO3)C2)c(N)c1	2106710471	XXAZXUUPSANJOP-IBGZPJMESA-N	363.458	2.494	10	10	FECE	
CN[C@@H](c1ccc2c(c1)CCN2C)[C@@H](O)C1CN(C(=O)OC(C)(C)C)C1	2106851907	ZGJKJFDZOMXHKP-ROUUACIJSA-N	361.486	2.167	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)NC[C@H]1CC(=O)N(Cc2ccccc2)C1	2308005717	BGGCJXCMKHALRE-QGZVFWFLSA-N	366.417	2.276	10	10	FECE	
O=C1NC(=O)N(CCc2ccccc2)C(=O)C1=Cc1ccc2c(c1)OCO2	2313548144	MXLSAXWYHAMZQM-UHFFFAOYSA-N	364.357	2.120	10	10	FECE	
CCN(CC)C(=O)COc1ccc(C=C2SC(=S)NC2=O)cc1	2314769106	STGBQAQSOPBDLL-UHFFFAOYSA-N	350.465	2.423	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NCC3(CN=[N+]=[N-])CC3)CO[C@@H]1C2	2334200899	XVXWTWJIYHAOND-QFSBIZTOSA-N	365.434	2.265	10	10	FECE	
CN(c1ccc(CO)cc1Br)[C@H]1CC[C@@H](S(C)(=O)=O)C1	2361705263	ZPNYXIKQTUJYHG-NWDGAFQWSA-N	362.289	2.343	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NC[C@@]2(CCO)CCOC2)cc1F	130066155	XDHDLXIEPFEYBW-LJQANCHMSA-N	367.465	2.260	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@H]1C[C@@H](N)CCO1	1952118548	GXGQUWVTZSJLOJ-WOSRLPQWSA-N	352.431	2.040	10	10	FECE	
C[C@@H](CCCO)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92289165	MFKBIXOKCSZUTM-KRWDZBQOSA-N	374.529	2.179	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ccc(CO)c(F)c1	263667253	BJSFZONRJRJOEV-UHFFFAOYSA-N	373.428	2.154	10	10	FECE	
Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)/C=C/c1ccc(O)c(O)c1	367932945	RPHABBPYSJFESG-ZKKXHLJNSA-N	357.410	2.061	10	10	FECE	
CCOC(=O)CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	367176126	GUNFFHDVESWYBW-AWEZNQCLSA-N	354.834	2.079	10	10	FECE	
C[C@@H](CO[C@@H]1CCOC1)NC(=O)NCc1cc(Br)ccc1O	805191722	PKQIAMASZAUJGE-GXFFZTMASA-N	373.247	2.148	10	10	FECE	
O=S1(=O)CC[C@]2(C[C@@H](NCc3cc(Cl)c(F)cc3O)CCO2)C1	293584911	KAHFGLMVYNDHRJ-NHYWBVRUSA-N	363.838	2.011	10	10	FECE	
CN1CCN(C(=O)C2CCN(Cc3cc(Cl)c(F)cc3O)CC2)CC1	293521514	AZCHGNJANNTKKA-UHFFFAOYSA-N	369.868	2.171	10	10	FECE	
CCN(CC)c1ccc(CN[C@H]2CCC[C@H]2CNS(C)(=O)=O)cc1F	800308909	DSOUAGPYCKRIBH-RDJZCZTQSA-N	371.522	2.479	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)NC[C@H]1CCN(C2CC2)C1	805180777	CQRFHLQDLCMRJY-LLVKDONJSA-N	368.275	2.438	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN[C@@H]3CC4CCC3CC4)CC2)cc1	814653490	YJZZQTKAIUKFEP-VEDXQQSGSA-N	373.541	2.346	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)C3(CF)CCOCC3)C2)cc1	819591769	WGUWPZBMKWFIRT-OAHLLOKOSA-N	350.434	2.404	10	10	FECE	
Cc1cc(O)c(CN2CCN([C@@H]3CCNC(=O)CC3)CC2)cc1Cl	826097334	YUDPSLXHDPTCKH-HNNXBMFYSA-N	351.878	2.140	10	10	FECE	
CC(C)C(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	917955077	WXJNZUUNHBMINA-LJQANCHMSA-N	373.497	2.129	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N[C@H]2CNCCC2(F)F)cc1F	841798708	MCSRDCUTQVJLIT-HNNXBMFYSA-N	358.408	2.468	10	10	FECE	
COc1cc(N2CCn3c(CC4CC4)nnc3C2)c([N+](=O)[O-])cc1OC	845637687	GYULYXCQWZIGEV-UHFFFAOYSA-N	359.386	2.176	10	10	FECE	
CCCC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	855231929	YWXPBYGQISQDFJ-MAUKXSAKSA-N	359.470	2.181	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cc(-c4ccn(C)c4)[nH]n3)C2)cc1	855223518	BBSXSZQLTBPRHU-OAHLLOKOSA-N	365.437	2.433	10	10	FECE	
CN(C)c1ccc(CNC(=O)[C@H](C[C@H]2COCCO2)C(F)(F)F)cc1	854271662	OUUXZSBSQOUZDD-GJZGRUSLSA-N	360.376	2.353	10	10	FECE	
CCS(=O)(=O)C1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CC1	851987811	QKDCNGJTYABXSE-UHFFFAOYSA-N	365.499	2.053	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)c2ncnn21	851991850	WMDPFRJMRWHZCB-CJNGLKHVSA-N	372.498	2.337	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)c1cc(N2CCOCC2)ncn1	868110209	WDLGCGKMMLWKSC-UHFFFAOYSA-N	370.453	2.461	10	10	FECE	
O=C(COCc1ccnc(O)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	860348732	ZXCBSLPZDXDCSO-KRWDZBQOSA-N	372.421	2.217	10	10	FECE	
O=C([C@H]1CCCN1C(=O)c1ccccc1O)N1Cc2cccc(O)c2C1	871204479	LCBBXJVGRNADRO-MRXNPFEDSA-N	352.390	2.245	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@@H](C1CC1)[C@@H]1CCCOC1)c1ccc(N(C)C)cc1	1119756372	JVXZMUHFKBCYNT-YJLNNSPDSA-N	373.497	2.251	10	10	FECE	
CO[C@@H]1COCC[C@H]1N(C)c1nnc(-c2sccc2O)n1CC1CC1	1123422415	AAVVXCVHNLQXAH-TZMCWYRMSA-N	364.471	2.362	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc3c(nc2O)CCC[C@@H]3O)c1	1137473410	IKPMWCBEGRYEIF-HWPZZCPQSA-N	358.394	2.362	10	10	FECE	
CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1cc2cc(O)c(O)cc2s1	896336427	JUQRKZDERKTTJR-VIFPVBQESA-N	357.453	2.208	10	10	FECE	
[N-]=[N+]=NCCCN[C@@H](C(N)=O)c1cccc(I)c1	394147998	FOGUMDLIYUBEIN-SNVBAGLBSA-N	359.171	2.108	10	10	FECE	
Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(O)c2O)s1	1143861286	NKZGOUCNYKCKSA-SNVBAGLBSA-N	365.436	2.017	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(N2C(=O)CCC2=O)cc1	1305592493	PRSKGUCNDPJOBV-KRXBUXKQSA-N	352.346	2.403	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(CNCc2ccc3c(c2)CCO3)CC1	1250948033	WFFWSEGCAORXEB-UHFFFAOYSA-N	362.470	2.473	10	10	FECE	
CCc1cc(O)nc(CN2CCN(c3ccc(OC)cc3OC)CC2)n1	1175513577	UCIHMHMDGNYYQI-UHFFFAOYSA-N	358.442	2.084	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCC[C@H]2CN=[N+]=[N-])CC1	2124540342	GLRKJFBOOKVPSG-ZDUSSCGKSA-N	367.450	2.440	10	10	FECE	
CCCN1CC[C@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1	1253542432	KLFIRHVSPIUZQC-PKOBYXMFSA-N	361.534	2.139	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)NCC2(O)CCCCC2)N(C)C)cc1	1256231872	HKSQGEDCJXIGRH-GOSISDBHSA-N	362.518	2.350	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)NC[C@@H](O)CC(C)(C)C)N(C)C)cc1	1256232125	KWLADKXIGKUCQQ-ROUUACIJSA-N	364.534	2.452	10	10	FECE	
CCN1CCOC[C@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	1515925398	LMGRCFCVQLCRSH-SFHVURJKSA-N	364.401	2.121	10	10	FECE	
CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1Cc1nncn1C	1613171095	VWJDJRBLJGKMRD-CYBMUJFWSA-N	355.446	2.310	10	10	FECE	
CN1CCc2[nH]c3ccc(C(=O)NCc4cc(O)ccc4O)cc3c2C1	1637125934	HVFFOYZMANUDQD-UHFFFAOYSA-N	351.406	2.497	10	10	FECE	
O=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1c(O)ccc2ccccc12	1645440464	FNORYCFTWRXKME-UHFFFAOYSA-N	367.405	2.026	10	10	FECE	
CC(C)NCc1ccc(N(C)CCS(C)(=O)=O)c(Br)c1	232808495	RGFATTLQTVIAGT-UHFFFAOYSA-N	363.321	2.428	10	10	FECE	
CN(C(=O)OC(C)(C)C)C1(C(=O)NCCc2ccc(O)c(O)c2)CC1	1964863225	AHOQHRDZVITKSS-UHFFFAOYSA-N	350.415	2.156	10	10	FECE	
C[C@@H]1CC[C@@H]([C@H](NC(=O)OC(C)(C)C)C(=O)NCc2ccccc2O)O1	1969154219	JZJXEFFVZAYOFO-KCXAZCMYSA-N	364.442	2.469	10	10	FECE	
CC(C)(C)OC(=O)N1CC([C@H](F)CNCc2cc3c(cc2O)OCO3)C1	1972411369	LFFOCHPJPLCAMF-CYBMUJFWSA-N	368.405	2.416	10	10	FECE	
CN1CCc2cc([C@H](CN)N3CCN(Cc4ccccc4)CC3)ccc21	386822311	MGSQJJHXZLDFCI-QFIPXVFZSA-N	350.510	2.497	10	10	FECE	
CC(C)(C)OC(=O)N1CC([C@H](F)CNCc2ccc(O)c(O)c2O)C1	2050113141	NMMFRGQWNHEXOF-GFCCVEGCSA-N	356.394	2.098	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC[C@H](N=[N+]=[N-])C2)C[C@H]2OCC[C@H]21	2060611362	SEEQSDPFCASNBA-QNWHQSFQSA-N	351.407	2.065	10	10	FECE	
CO[C@H](CCNC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2060611579	VWZBIQBDIPUFQF-CHWSQXEVSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1nccs1)C(=O)N1CC[C@@H](N=[N+]=[N-])C1	2060635787	PHJFOPJUZPVACY-GHMZBOCLSA-N	366.447	2.490	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@@H]1CN=[N+]=[N-])[C@H]1CCCO1	2060637767	OOFQLZLDJOKAPX-JHJVBQTASA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)CC1	2063391912	VJAXMOUBCKNTMQ-LBPRGKRZSA-N	353.423	2.050	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CN(CCCOc2ccc(N)cc2)CCO1	2106761932	AEUAFYGAJSFTEE-QGZVFWFLSA-N	365.474	2.263	10	10	FECE	
CN1CCc2cc([C@@H](O)CN3CC[C@@H](NC(=O)OC(C)(C)C)C3)ccc21	2112978764	AHHTVQYYCHBMEK-AEFFLSMTSA-N	361.486	2.311	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc3c(c2)COCC3)C[C@H]1CO	2226714610	ARQMEPUDCPSCPU-WMZOPIPTSA-N	362.470	2.471	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2OCC[C@]2(C(=O)NCc2ccccc2O)C1	2278929694	JCIRXDSPKIWTOH-BEFAXECRSA-N	362.426	2.034	10	10	FECE	
COc1cc(C=C2C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc(OC)c1O	2296412391	OOSCOQISVSHIKY-UHFFFAOYSA-N	368.389	2.488	10	10	FECE	
CCN(CC)CCCNC=C1C(=O)NC(=O)N(c2cccc(C)c2C)C1=O	2296938711	WJIYJAHOQGLVHG-UHFFFAOYSA-N	372.469	2.092	10	10	FECE	
CCOC(=O)c1ccc(N2NC(=O)C(=Cc3cc(C)[nH]c3C)C2=O)cc1	2297559546	KBSMRKSLCGYUDF-UHFFFAOYSA-N	353.378	2.270	10	10	FECE	
COc1ccc2c(c1)N(C)C(=C1SC(=S)N(CC(=O)O)C1=O)S2	2297672342	AAFHYKMODCVAMV-UHFFFAOYSA-N	368.461	2.351	10	10	FECE	
CCCN[C@H](c1ccccc1O)[C@@H](O)[C@H](CNC(=O)OC(C)(C)C)OC	2352119290	HKJOBLUFZRQLPL-BBWFWOEESA-N	368.474	2.334	10	10	FECE	
COC(=O)COc1ccc(N(C)Cc2c(Br)cnn2C)cc1	278770489	ULCUYVDSXZKIGR-UHFFFAOYSA-N	368.231	2.371	10	10	FECE	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1cncnc1	819525519	IDROFQSEURIBKN-UHFFFAOYSA-N	370.453	2.408	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@H](CNCc1cc(OC)c(OC)cc1O)C2	822494034	DWJBNOIJEMBVAO-YDHLFZDLSA-N	364.442	2.366	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](CN2CCOC2=O)C1	838477729	GWROLYXUUYKMSG-HNNXBMFYSA-N	360.458	2.045	10	10	FECE	
CCOC(=O)[C@@H](C)OC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O	733386806	XQLOVLOKJKPSTB-SNVBAGLBSA-N	367.357	2.153	10	10	FECE	
C[C@@H]1C[C@@H](NC/C=C\c2ccc(N(C)C)cc2)C(=O)N1c1cnn(C)c1	835041708	DHJCBFAAWIWCJF-VKRNSVOSSA-N	353.470	2.283	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCN(C)C[C@H]2c2cnn(C)c2)c1	849564587	QACQFWYMDOITTK-OWQGQXMQSA-N	372.469	2.047	10	10	FECE	
COc1cc(Br)cc(CNCC(C)(C)[C@@]2(O)CCOC2)c1O	842759515	XIGZQIQYBZKPEA-MRXNPFEDSA-N	374.275	2.431	10	10	FECE	
O=C1N[C@]2(C(=O)NCc3cc(Cl)cc(Cl)c3O)C[C@H]3C[C@@H]1[C@H]2C3	846158968	BYFXHXFKJSEJQE-WXXSWPLJSA-N	355.221	2.230	10	10	FECE	
C[C@@]1(CCF)NC(=O)N(Cc2ccc(N3CCSCC3)cc2)C1=O	849351996	PATXDSZFVPBJSV-KRWDZBQOSA-N	351.447	2.410	10	10	FECE	
C[C@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(N(C)C)cc1	849388595	VGMFPZQLRCADKH-NSHDSACASA-N	350.400	2.095	10	10	FECE	
C[C@H](NC(=O)[C@]1(C)C[C@H](O)CN1C(=O)OC(C)(C)C)c1ccccc1O	913763978	XMPSWJSIGWDTLA-JMERFSKESA-N	364.442	2.330	10	10	FECE	
O=C(NCC[C@@H]1C[C@H]2C=C[C@H]1C2)C(=O)NCc1ccc(N2CC=CC2)cc1	848933695	FOKXERRUYRVVHH-GBESFXJTSA-N	365.477	2.398	10	10	FECE	
O=C(O)c1cnn2c(O)cc(CN3CC[C@@H](c4c(F)cccc4F)C3)nc12	846253250	GGAQQSRBBVIGMT-SNVBAGLBSA-N	374.347	2.401	10	10	FECE	
CCS[C@@H]1CC[C@H](N(C)Cc2cc(O)n3ncc(C(=O)O)c3n2)C1	846255417	FUDRXNYSRXEOPC-NWDGAFQWSA-N	350.444	2.239	10	10	FECE	
CCOC(=O)[C@H](CC1(OC)CCC1)NC(=O)/C=C/c1ccc(O)c(O)c1	846518238	ZPPDEFSPWQIEKG-OWNNVSBGSA-N	363.410	2.118	10	10	FECE	
O=C(NCc1ncc2c(n1)CCOC2)NCc1c(O)ccc2c1CCCC2	845348570	QDLDKCBWRNYBKB-UHFFFAOYSA-N	368.437	2.133	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3c[nH]nc3-c3ccccn3)C2)cc1	855227739	YPDBRURNWVCVFK-AWEZNQCLSA-N	363.421	2.489	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCc2ncnn2C)C1	766885103	GZMHNRDKDUJHTN-UHFFFAOYSA-N	367.453	2.280	10	10	FECE	
C[C@H](NC(=O)NCc1ccnc(OCCN(C)C)c1)c1ccccc1O	868459425	YQWMJCMAIDBHQG-AWEZNQCLSA-N	358.442	2.288	10	10	FECE	
COc1cc(N(C)CCN2CC3(CCOCC3)C2)c([N+](=O)[O-])cc1OC	866257193	GCKVIUIFQMEYPD-UHFFFAOYSA-N	365.430	2.161	10	10	FECE	
Cc1cc(CN2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)ccc1N1CCCCC1	933697571	WKLNFPHUDSCEPL-AEFFLSMTSA-N	365.543	2.342	10	10	FECE	
COC(=O)c1cc(C(=O)CSc2ncc(C(=O)OC)s2)c(C)[nH]1	865368827	DPOIDACVDCPTKU-UHFFFAOYSA-N	354.409	2.328	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cccn(C4CC4)c3=O)C2)cc1	869228238	FNSUVZUNDZWIEA-CQSZACIVSA-N	353.422	2.201	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCOC[C@H]3C)cc2)CC1	1117277722	CDDLKKZDBAGVHN-APWZRJJASA-N	373.497	2.080	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC3CC(n4cccn4)C3)cc2)CC1	895813667	LNZSTPQTVHVALL-UHFFFAOYSA-N	353.470	2.078	10	10	FECE	
CNC(=O)C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1	795602350	CFGKNOOGWBTRNK-FQEVSTJZSA-N	353.466	2.490	10	10	FECE	
CCN(CC)c1ccc(CNC[C@H]2CCCCN2S(C)(=O)=O)cc1	796513950	QNHXDFGGIFJDOF-GOSISDBHSA-N	353.532	2.437	10	10	FECE	
Cc1ccc(C(=O)N2C[C@H](c3cnn(C)c3)C3(CCOCC3)C2)c(O)c1O	1141145126	LMKIJKCMDHHIAU-MRXNPFEDSA-N	371.437	2.176	10	10	FECE	
C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO)c1c(O)cccc1O	2116272782	FNBBJUKFELAHLW-MJBXVCDLSA-N	366.458	2.366	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(F)c(F)c2O)[C@H](CO)C1	2116275305	USROROCQVVSWQK-JSGCOSHPSA-N	372.412	2.378	10	10	FECE	
Cn1[nH]c(=NC(=O)OC(C)(C)C)cc1C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2124543540	SRTFPZHCLNCKTR-NSHDSACASA-N	363.422	2.494	10	10	FECE	
C[C@H](NC(=O)C(=O)N1C[C@@H]2CSC[C@]2(C)C1)c1ccc(N(C)C)cc1	1332947594	BIVBNLJCWSRWHO-OHNRDTAOSA-N	361.511	2.141	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)CC3(C)COC3)cc2F)C[C@@H](C)O1	1334855009	LNGJJILTGGNJPU-ZIAGYGMSSA-N	350.434	2.482	10	10	FECE	
C[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1	2132348088	DPWKUPOSTOLKBQ-CZUORRHYSA-N	356.422	2.301	10	10	FECE	
COC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)/C=C/c1cnccc1C	1544609382	JSDWDRRMRQCZOX-GQCTYLIASA-N	351.362	2.175	10	10	FECE	
Cn1c(C(F)(F)F)nc2cncc(C(=O)NCc3ccc(O)cc3O)c21	1626847597	DMIOMNNWQXTWBT-UHFFFAOYSA-N	366.299	2.328	10	10	FECE	
Cc1cc(CCNC(=O)NC[C@@H](O)[C@H]2CCCO2)c(C)n1-c1ccccc1	1683148709	CJIIWVQMRNSQOR-WOJBJXKFSA-N	371.481	2.476	10	10	FECE	
Nc1ccc(CCNC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)cc1	152545850	XPYZIZMDQALKOZ-UHFFFAOYSA-N	358.829	2.424	10	10	FECE	
CN[C@H](C)c1ccc(N2CC[C@@H](S(C)(=O)=O)C2)cc1Br	2179924455	CNFZNEDAQIJGRS-ZYHUDNBSSA-N	361.305	2.353	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])CO1	2060608749	LNHVCUFTXFKUPU-JHJVBQTASA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1CCSC(C)(C)[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1	2073580934	JUAGLHZXHMCNIN-LALPHHSUSA-N	370.515	2.383	10	10	FECE	
CC(C)(C)OC(=O)N1CC=C(CNC(=O)COc2ccc(N)cc2)CC1	2106231411	GVTPKEAHRNFTKK-UHFFFAOYSA-N	361.442	2.331	10	10	FECE	
COc1ccc(N2CC[C@H]3OCCN(C(=O)OC(C)(C)C)[C@@H]3C2)c(N)c1	2106845938	JEPMRTWTRAGJJG-IAGOWNOFSA-N	363.458	2.492	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](NCc2ccc(O)c(O)c2)C[C@@]12CCOC2	2098975080	FTQGHCWLSMKIKI-IFXJQAMLSA-N	364.442	2.356	10	10	FECE	
CCCS(=O)(=O)C[C@H](C)NCc1cccc(Br)c1O	2114180766	RQYQNZWYQOFSLP-JTQLQIEISA-N	350.278	2.458	10	10	FECE	
C[C@@H](O)[C@@H](C(=O)O)N1C(=O)C(=Cc2c[nH]c3ccccc23)SC1=S	2323823484	MBLOVSPLEFDDTJ-OQPBUACISA-N	362.432	2.203	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](O)(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2312333414	KYDHVFKUYDNTHH-WQGACYEGSA-N	353.423	2.096	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2312334512	YWQXAFDMBMYCSL-FVCCEPFGSA-N	353.423	2.406	10	10	FECE	
Cc1nc[nH]c(=NCCc2ccc(N)cc2)c1I	2317608391	ATXKPVWGAWVNHL-UHFFFAOYSA-N	354.195	2.048	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@@]3(O)C[C@@H]4C[C@H]3N(C(=O)OC(C)(C)C)C4)ccc21	2354609587	IXFPRWIMSMEBKZ-ZEZXVUOJSA-N	373.497	2.439	10	10	FECE	
COCCc1cc(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)n(C)n1	122931847	JYKZPQFDLXTDRC-VMPITWQZSA-N	370.453	2.098	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)NCCC(C)C)CC2)cc1	243162557	JQERSOGGGRNDIQ-OALUTQOASA-N	373.497	2.142	10	10	FECE	
O=C1N[C@H](CF)C(=O)N1[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	287772554	RJKFUERILJZFCG-DGCLKSJQSA-N	357.332	2.147	10	10	FECE	
C[C@H](NC(=O)CO[C@@H](C)c1nccn1C)c1ccc(N2CCOCC2)cc1	805170111	AHAFWGNZTYNHFH-HOTGVXAUSA-N	372.469	2.212	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H](C)CC(=O)c1cccc(Br)c1	808521516	URTRZXGGQYPSRF-VIFPVBQESA-N	355.184	2.359	10	10	FECE	
COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1cc(Cl)c(C)cc1O	824938370	IEHZCHYDFCPRAS-XOUADPBQSA-N	367.829	2.279	10	10	FECE	
COc1ccc(N2CCN(CCNc3ncnc4[nH]ccc34)CC2)cc1	726966981	FNMASAVIEPUWAI-UHFFFAOYSA-N	352.442	2.201	10	10	FECE	
COc1cc(N2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])cc1OC	829304927	DSDBCBROZMQZJG-AMIZOPFISA-N	350.293	2.362	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc1	835054580	WJRWZWBJONRRCK-JITJTBAFSA-N	356.470	2.218	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)cc1F	917616722	AERGFGYGZGQVRU-RKVPGOIHSA-N	365.449	2.275	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3CCNC[C@H]3c3cccnc3)ccc21	841759438	NWUFLQKYQHZIET-FQEVSTJZSA-N	365.481	2.320	10	10	FECE	
Nc1ccc(NC(=O)C(=O)NCc2ccc(CN3CCCC3)cc2)cc1	841003336	SNPZAZWIUROYEH-UHFFFAOYSA-N	352.438	2.120	10	10	FECE	
C[C@H](NC(=O)NC1CCC(N2CCNCC2)CC1)c1ccc(N(C)C)cc1	841880691	GGQWUVSPAXSIIQ-VQSBYGRUSA-N	373.545	2.329	10	10	FECE	
CCOC(=O)C[C@@H](C)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	852232070	MMCIDCTXOZWYMH-CABCVRRESA-N	363.458	2.162	10	10	FECE	
C[C@@H](NC(=O)NCCO[C@H]1CC1(F)F)c1ccc(N2CCOCC2)cc1	852012973	QMOJPWGDIFEJFN-CJNGLKHVSA-N	369.412	2.308	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3C[C@H]4COC[C@@]4(C)C3)CC2)cc1	853643678	KZRBGHLPSYRXQK-MGPUTAFESA-N	359.470	2.342	10	10	FECE	
O=C(C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)N1C[C@H]2CC[C@@H](C2)C1	850596159	LUVCNGJJLFWZDF-XYJFISCASA-N	372.465	2.158	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cn(C)nc3C(F)(F)F)C2)cc1	855232130	NUZNFXMMMKICIK-NSHDSACASA-N	368.359	2.456	10	10	FECE	
Cn1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1=O	754549379	YAIWSAOUPZJSRR-UHFFFAOYSA-N	358.353	2.413	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc(-n4cnnc4)cc3)C2)cc1	855228439	AESNWKQEJOXMGM-INIZCTEOSA-N	363.421	2.285	10	10	FECE	
CNS(=O)(=O)c1ccc(CCN[C@@H](C)c2cc(F)cc(F)c2O)cc1	866578061	IJGLSOJDUNLGGP-NSHDSACASA-N	370.421	2.472	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCO[C@@H]([C@H](C)O)C2)cc1	862005352	ZGOZAHGNZNCOLG-OXJNMPFZSA-N	370.449	2.057	10	10	FECE	
Cc1cc(N)cc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)c1	868228428	DFBQYCZQMCCWCP-UHFFFAOYSA-N	352.438	2.215	10	10	FECE	
COCc1ccc(C(=O)N2CCN(c3ccc(OC)cc3OC)CC2)o1	870163129	ULXSMGFHIXHJTF-UHFFFAOYSA-N	360.410	2.406	10	10	FECE	
Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(O)cc1C(=O)O	776433039	KEBRRBJXICQCOB-UHFFFAOYSA-N	353.400	2.285	10	10	FECE	
COC(=O)C(C)(C)N1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1	778188497	HHQVPOSYPFFKJD-UHFFFAOYSA-N	368.861	2.317	10	10	FECE	
CN(C)Cc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)o1	1136961441	QTZKTDPHKYZNPC-UHFFFAOYSA-N	371.481	2.480	10	10	FECE	
C[S@](=O)c1cc(N)ccc1N=Nc1cccc(S(=O)(=O)CCO)c1	1083805664	KCDBCNBUMQMSCN-QHCPKHFHSA-N	367.452	2.188	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)NC[C@]3(O)CCCC3(C)C)cc2)CC1	1313211214	CLVGVTNTUFBSOK-OAQYLSRUSA-N	374.529	2.179	10	10	FECE	
COc1ccc(O)c(CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2CO)c1	2116268512	VLJJJXPPBQVKSZ-BBRMVZONSA-N	366.458	2.108	10	10	FECE	
CC[C@H](CN(C)C[C@@H](O)COc1ccc(N)cc1)NC(=O)OC(C)(C)C	2116684294	SFDOATMAEJDDSK-HZPDHXFCSA-N	367.490	2.244	10	10	FECE	
COc1ccc(CN[C@@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c(O)c1	2121661237	DSFZPDCQASALAD-BFYDXBDKSA-N	364.442	2.125	10	10	FECE	
O=C(CN1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)c1ccc(O)c(O)c1	2132367548	JIORXVUGYIAQQV-ZWKOTPCHSA-N	352.434	2.487	10	10	FECE	
C[C@H]1CC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)CN1C(=O)OC(C)(C)C	2132400315	LUSQDWICAQVSIC-CMPLNLGQSA-N	366.414	2.321	10	10	FECE	
O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1	2132404484	SFNOONYULJBXCQ-GDBMZVCRSA-N	354.406	2.150	10	10	FECE	
COC(=O)c1ccc2c(c1)N(C(=O)/C=C\c1cnc(OC)nc1)CCC2	1289078215	PYCSNAFETYJNFE-YVMONPNESA-N	353.378	2.264	10	10	FECE	
Cc1ccc(N2CCC[C@@H](NC(=O)Cc3ccc(O)c(O)c3)C2=O)cc1	1444894477	ILEAWZWIAFYMIJ-MRXNPFEDSA-N	354.406	2.261	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N[C@H](CO)[C@H]3CCOC3)c2C)cc1	1295798559	JCXZJQRNGIWGBS-HNAYVOBHSA-N	358.438	2.230	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ncc(Cl)cn1	1293974931	CKKMSJLRXZAYGS-UHFFFAOYSA-N	364.808	2.160	10	10	FECE	
CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1c(F)ccc(O)c1O	1610291556	LDGFWNHZJIHPHZ-UHFFFAOYSA-N	354.284	2.226	10	10	FECE	
CC(C)[C@H](C(=O)NCc1cc(O)ccc1O)n1nnc(-c2ccccc2)n1	1471661065	GSGQNDUKJCEIKN-QGZVFWFLSA-N	367.409	2.265	10	10	FECE	
C[C@H]1C[C@H]1n1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1O	1543748534	JDWXJGDSZSIYCC-DZGCQCFKSA-N	355.442	2.323	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@H]2CS(=O)(=O)c3ccccc32)cc1	1631110651	TTYDPXUQMCSICT-ZDUSSCGKSA-N	358.379	2.107	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cnc(C2CC2)[nH]1	1566850236	ZVAJUMDFVZTYPN-UHFFFAOYSA-N	363.801	2.462	10	10	FECE	
O=C([C@H]1CCCn2ncnc21)N(Cc1ccccc1O)C[C@@H]1CCCO1	1597090322	WFONLJKXBTYLJB-HOTGVXAUSA-N	356.426	2.069	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)NC[C@@]3(C)CCCC[C@@H]3O)cc2)CC1	1675580729	SVSRGFOVMZGHSL-PZJWPPBQSA-N	374.529	2.179	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3CCCSC3)CC2)c(OC)c1	1673112065	NDXMNNCWFQOXAG-CQSZACIVSA-N	365.499	2.431	10	10	FECE	
COC(=O)[C@@H](C)N1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S	6098121	SCNHHHJJPKGGNQ-TVNQGELYSA-N	367.448	2.467	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1C[C@@H]2CCC[C@]2(C(N)=O)C1	1686827108	WFNHOHCBENGRHM-KUDFPVQQSA-N	372.513	2.289	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccn2ccnc2c1	152486305	LZNZYMNZUWBVPN-UHFFFAOYSA-N	350.422	2.443	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(C(N)=O)cn1C	152025956	DVBNXBXYCHLNQD-UHFFFAOYSA-N	354.454	2.387	10	10	FECE	
O=C(CCn1c2c(c3ccccc31)CCCC2)N1C[C@H]2C[C@H]1CS2(=O)=O	1849690672	BBJZQKIFUMJLDW-LSDHHAIUSA-N	372.490	2.308	10	10	FECE	
O=C(CCn1c2c(c3ccccc31)CCCC2)NCCn1ncccc1=O	1850182263	ZLUBYAVYPIHSRZ-UHFFFAOYSA-N	364.449	2.283	10	10	FECE	
Nc1ccc(-n2nnc(C(=O)Nc3ccc(OC(F)(F)F)cc3)n2)cc1	1857879159	WFMAUHLBGYJTDR-UHFFFAOYSA-N	364.287	2.395	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@]1(C)C(=O)NCCc1ccc(O)c(O)c1	1963688572	XLISAHMISDRSHC-GOSISDBHSA-N	350.415	2.156	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N[C@H](C)c1ccccc1O	1877550248	YIMYKYCHPDZLNF-IVMMDQJWSA-N	364.442	2.451	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NCc2cccc(O)c2O)CCO1	2036666050	GHADIFJHWUOIML-KGLIPLIRSA-N	352.431	2.260	10	10	FECE	
CN[C@H](C)c1ccc(N2CCS(=O)(=O)[C@H](C)C2)cc1Br	707162096	FTCIYSRUUSEYKL-GHMZBOCLSA-N	361.305	2.353	10	10	FECE	
CC(C)(C)OC(=O)N[C@](C)(C(=O)N1CCC[C@H](N=[N+]=[N-])C1)C(C)(C)O	2060639054	DNXAXVIYLBPCDS-MEDUHNTESA-N	355.439	2.342	10	10	FECE	
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2060633835	RWPMKBYEGUDLFU-STQMWFEESA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)NCCOCCC(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2060634814	DPZDAAGHMZSORN-CYBMUJFWSA-N	355.439	2.467	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060615713	RLHOJHVCCUGDRP-RWMBFGLXSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)NCCc1n[nH]c(=NCc2cc(F)ccc2O)o1	2083278374	ANTGGJPTPDPPIJ-UHFFFAOYSA-N	352.366	2.016	10	10	FECE	
CN(C)c1ccc([C@@H](O)[C@H](NC(=O)OC(C)(C)C)c2cn(C)nn2)cc1	2110415257	PFNWZADFHXZXEJ-HZPDHXFCSA-N	361.446	2.181	10	10	FECE	
CC(C)(C)OC(=O)NCC12COC(C(=O)N[C@@H]3CCC[C@H]3N=[N+]=[N-])(C1)C2	2225791401	CYOOAGZTFNWUJO-VDQHWBOFSA-N	365.434	2.408	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1	2288268278	ZXWIWGNLPCUSJR-LAPQFRIASA-N	374.485	2.442	10	10	FECE	
O=C1C(=Cc2ccccc2F)SC(=S)N1[C@H]1CCS(=O)(=O)C1	2296726011	VWUUOPXKSWDZCH-JTQLQIEISA-N	357.453	2.214	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@](C)(NCc1ccc2c(c1)CCCO2)C(=O)O	2351352290	DMYTYLUJOCYUEL-LJQANCHMSA-N	364.442	2.469	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(=O)Nc3ccccc3C)CC2)cc1	9859860	PUNUVYLDPMWOBJ-UHFFFAOYSA-N	353.422	2.291	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCCN(Cc3noc(C)n3)CC2)c1O	175649431	ZAZSMIHUGBJDMI-UHFFFAOYSA-N	362.405	2.133	10	10	FECE	
CCOCCN1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@H]1C	117486896	ZSCRJYQMTDNJGO-QGZVFWFLSA-N	374.529	2.321	10	10	FECE	
C[C@H](NC1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(F)c(F)c1O	187794158	JSMGDGNVKSYKKB-JTQLQIEISA-N	360.426	2.278	10	10	FECE	
COc1ccc(S(=O)(=O)N2CCc3cc(N4CCOCC4)ccc32)cc1	41122130	OIQFCYXSUWFUHE-UHFFFAOYSA-N	374.462	2.283	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C=C[C@@H](C(=O)N2CCc3cc(O)c(O)cc3C2)C1	2366906528	RNQMIKVRNACOLI-UKRRQHHQSA-N	374.437	2.452	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCC(=O)N(C)C)C1	435499276	FAOQUULQXOLDDL-UHFFFAOYSA-N	370.497	2.002	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CCO[C@@H]3CC[C@H](OC)C[C@H]32)c1O	375716519	CGFMLNWKVYPISS-NWANDNLSSA-N	352.387	2.077	10	10	FECE	
Cc1ccc(CNC(=O)[C@@](C)(N)C(F)(F)F)c(O)c1Br	2381136908	JVYOHSIPZDDQTM-LLVKDONJSA-N	355.154	2.359	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H]4COC[C@@H](C3)O4)ccc21	554791256	IDFHOXKQBIPRDY-CALCHBBNSA-N	358.438	2.144	10	10	FECE	
Cc1ccc(CN2C[C@@H]3[C@H](CCS3(=O)=O)C2)c(O)c1Br	2380713203	QHBABWWXTSJWFH-ZYHUDNBSSA-N	360.273	2.082	10	10	FECE	
Cc1ccc(CNC(=O)[C@](C)(N)CC(F)F)c(O)c1Br	2380749453	OYEPOXAPQGISQY-CYBMUJFWSA-N	351.191	2.452	10	10	FECE	
CN(C)c1ccc([C@@H](O)[C@H]2Cn3cnnc3CN2C(=O)OC(C)(C)C)cc1	2163065738	DHMCFPNPJRNELA-NVXWUHKLSA-N	373.457	2.197	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)c3ccc([N+](=O)[O-])cn3)C2)cc1	819584652	NZOUVNQJNXLMKI-ZDUSSCGKSA-N	356.382	2.255	10	10	FECE	
C[C@@H]1CCN(c2cc(C(=O)NC[C@@H](N)c3ccc(N(C)C)cc3)ccn2)C1	832266293	DPUMRFFIXUBEKV-DNVCBOLYSA-N	367.497	2.424	10	10	FECE	
COc1cc(Br)cc([C@H](C)NC2CC(CC(N)=O)C2)c1O	903253062	HZLRHSHOOXEILJ-SILCLGDVSA-N	357.248	2.468	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCOC[C@@H]2c2ccnn2C)c([N+](=O)[O-])c1	845755210	AIMXWQMMGXTZLE-UKINESCASA-N	372.381	2.092	10	10	FECE	
CCc1ccc(S(=O)(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)s1	842783828	DCSWEMNRCTXFRF-OAHLLOKOSA-N	353.513	2.355	10	10	FECE	
O=C(O)[C@H]1CCN(C(=O)OCc2ccccc2)[C@@H]1c1cc(O)nc(O)c1	1952993104	IZAZDBNKPBJQEB-XJKSGUPXSA-N	358.350	2.277	10	10	FECE	
COc1cc(Br)cc([C@H](C)NC[C@H](CO)[C@@H]2CCOC2)c1O	848549795	UNTMFTRLSUZTOS-QJPTWQEYSA-N	374.275	2.459	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc(CNC(C)=O)s3)C2)cc1	855228483	BBDZJHZBHJTYMK-AWEZNQCLSA-N	373.478	2.402	10	10	FECE	
CCN(CC)CCSCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	855229901	CRIJBBCFLCKXAA-MRXNPFEDSA-N	365.543	2.465	10	10	FECE	
COc1cc(Br)cc([C@@H](C)N[C@@H](C)C(=O)N(C)OC)c1O	858580930	ZXTSJFWSFQHCDI-BDAKNGLRSA-N	361.236	2.222	10	10	FECE	
Cc1oc(S(C)(=O)=O)cc1C(=O)N(C)Cc1ccc(N(C)C)cc1	858199084	AAPQNOPILNBGFF-UHFFFAOYSA-N	350.440	2.330	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1c2ccccc2CC[C@H]1CN	852755986	OTIJFRCETDWTAT-FQEVSTJZSA-N	366.509	2.491	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H](O)[C@H]2CCCO2)c1	862652560	BIFOIDLLPJYCIA-RTBURBONSA-N	356.422	2.176	10	10	FECE	
CC[C@@H]1[C@@H](C(=O)N2CCN(c3ccc(OC)cc3OC)CC2)CCN1C	870165843	BBSWOMFPHFOMNP-DLBZAZTESA-N	361.486	2.083	10	10	FECE	
COC(=O)N1CCC[C@H]([C@H](C)NC(=O)NCc2ccc(N(C)C)cc2)C1	773561660	CAVAOQYSDJQKRX-HOCLYGCPSA-N	362.474	2.419	10	10	FECE	
COC[C@]1(C(=O)OC(C)(C)C)CCN(C(=O)c2ccc(C)c(O)c2O)C1	870521038	CROFBCRFDAHUHD-IBGZPJMESA-N	365.426	2.227	10	10	FECE	
COC(=O)COc1ccc(N(C)Cc2c3c(nn2C)CCSC3)cc1	894446405	TXACAAHGXNFMCJ-UHFFFAOYSA-N	361.467	2.398	10	10	FECE	
CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1	1143093289	PJQSJZGBGFLRAK-CYBMUJFWSA-N	359.430	2.473	10	10	FECE	
C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1ccc(O)c(O)c1	2118177220	ZKZLJUNFHXORTE-KWCYVHTRSA-N	362.426	2.425	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC(CNC(=O)c3ccc(O)c(O)c3)C2)C1	2121060898	JOYZSKYDJPBWCV-UHFFFAOYSA-N	362.426	2.475	10	10	FECE	
CC(C)(C)OC(=O)N1CCCC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1	2132414784	ZZMPNTCGJGAZOV-LBPRGKRZSA-N	366.414	2.323	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1	1437380338	CPSRQFJBAFMLML-INIZCTEOSA-N	373.497	2.381	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CNC(=O)Cc1ccc(O)c(O)c1)C1CC1	1295871860	RUKRYQVRHSLLEB-CYBMUJFWSA-N	350.415	2.060	10	10	FECE	
CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)CCCN2C	1295087014	ANKDTLPLZCVFSG-UHFFFAOYSA-N	370.501	2.303	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1cc(O)nc(O)n1	1469436533	ATFOWDVXZXTGRX-UHFFFAOYSA-N	366.377	2.038	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)NCCO[C@@H]2CCOC2)CCCC1	1536041884	BNUPNQQBDNSLIW-MRXNPFEDSA-N	372.465	2.450	10	10	FECE	
COc1ccc(CNC(=O)CNC(=O)Nc2cccc(Cl)c2)c(O)c1	1635042903	WFXZRAPXLCTLAW-UHFFFAOYSA-N	363.801	2.492	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1Cc2cc(F)ccc2NC1=O	1568737522	BTLVZPMYDMFEHW-ZDUSSCGKSA-N	363.385	2.444	10	10	FECE	
COC(=O)c1ncnc(NCc2cccc(Br)c2O)c1OC	1651034312	CQIPURMBDBVODV-UHFFFAOYSA-N	368.187	2.352	10	10	FECE	
COC(=O)[C@@H](C)N1C(=O)/C(=C\c2ccc(C(=O)O)cc2)SC1=S	6098139	IUIGRXPPGWDYGK-XAPLUZPNSA-N	351.405	2.148	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CCN(C(=O)C3CC3)CC2)c1O	16842767	KRFYEBRUARMADP-UHFFFAOYSA-N	368.433	2.386	10	10	FECE	
COc1cc(/N=N/N2CCN(c3ncccn3)CC2)cc(OC)c1OC	1860487696	JSZGWXPWWLKESU-QZQOTICOSA-N	358.402	2.323	10	10	FECE	
Cc1ccc(O)c(CNCC(=O)NCCc2nc3ccc(F)cc3[nH]2)c1	1857876669	MIOLFIMTMYRNPH-UHFFFAOYSA-N	356.401	2.165	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)OC(C)(C)C1	1880091252	UHMODSQBKHYBBH-RGCMKSIDSA-N	368.474	2.103	10	10	FECE	
CN(C)c1ccc([C@@H](CN)N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1	1881342055	PUMZXFUALUYCAT-QGZVFWFLSA-N	360.502	2.305	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(CCC(=O)NCc2ccccc2O)CCOC1	1964891972	YJERVOYKCTYMBU-IBGZPJMESA-N	364.442	2.472	10	10	FECE	
CC(C)(C)OC(=O)N1CCCO[C@@H](CNCc2cccc(O)c2O)C1	389938135	XMSITUNHGAQSPT-AWEZNQCLSA-N	352.431	2.213	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)C1	2044251969	XKGOYEQUZHCHOS-HUUCEWRRSA-N	369.487	2.134	10	10	FECE	
CCN(CCNC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1ccc(N)cc1	2044597151	CZLFQZFIQISPCG-ZDUSSCGKSA-N	350.463	2.442	10	10	FECE	
Cc1ccc(O)c(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c1	2052720841	MICJWRIPVPOXOV-HOTGVXAUSA-N	350.459	2.408	10	10	FECE	
CC[C@@H](CN(C)S(=O)(=O)Cc1ccc(N)cc1)NC(=O)OC(C)(C)C	2053094859	BYERCHHSLNRWEK-HNNXBMFYSA-N	371.503	2.334	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCN=[N+]=[N-])C[C@@H]2COCC[C@H]21	2060638690	ZTZLTKXTIHXEHB-JHJVBQTASA-N	353.423	2.075	10	10	FECE	
CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(CCOc2ccc(N)cc2)C1	2106747909	NVUUPTABBFREQG-DOTOQJQBSA-N	365.474	2.262	10	10	FECE	
CN1C(=O)NC(=O)C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)C1=O	2297050174	OAZWVCVJUCZDQR-UHFFFAOYSA-N	367.317	2.479	10	10	FECE	
COC[C@@]1(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)C=CCN1C(=O)OC(C)(C)C	2314782195	VRIMHWGIVMVLHA-MLGOLLRUSA-N	351.407	2.090	10	10	FECE	
COC[C@@]1(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C=CCN1C(=O)OC(C)(C)C	2336343161	PJIXKKKKADUVBL-SUMWQHHRSA-N	365.434	2.337	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](c1cnn(C)c1)N(C)C	118086846	LVXKOUDUOJACQK-IBGZPJMESA-N	372.517	2.321	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)Cn1ncc(=O)c2ccccc21	115279956	YWMKDELRASLCHH-UHFFFAOYSA-N	350.422	2.087	10	10	FECE	
CCOCCN1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]1C	121555996	QEARBRRAAQVDBN-ZDUSSCGKSA-N	353.419	2.159	10	10	FECE	
C[C@@H](NC[C@]1(CCO)CCOC1)c1ccc(N2CCOCC2)c(F)c1	125812787	VJHJGECFOZVZPA-BEFAXECRSA-N	352.450	2.102	10	10	FECE	
CCC(O)(CC)CN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	183696346	FXEKGJAFFWBTAG-UHFFFAOYSA-N	352.475	2.386	10	10	FECE	
Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCc1ccc(O)c(O)c1	182524759	BEDSCXAWSHHWNL-UHFFFAOYSA-N	365.389	2.399	10	10	FECE	
Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C(=O)/C=C/c1ccc(O)c(O)c1	185797908	RMZSRXAGPWTUQN-CZXUKVBWSA-N	370.380	2.258	10	10	FECE	
COCCNc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cn1	244425933	YWGVCTUHSPHDFT-UHFFFAOYSA-N	370.453	2.111	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCN2CCC2)C1	444267801	QNRBJORUOXZWML-UHFFFAOYSA-N	354.498	2.230	10	10	FECE	
CO[C@H]1CN(C(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)CCO1	613815106	QTQYOMZZIRAJNZ-OAQYLSRUSA-N	371.481	2.239	10	10	FECE	
C[C@H](C1CC1)n1nccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O	271305252	RMMBMPXZJODVCE-SNVBAGLBSA-N	364.427	2.184	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CC[C@@H]4C[C@H]4C3)cc2)C1	825859922	XDEKFXNRWOEBOF-ZJPYXAASSA-N	370.497	2.376	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3ccc(F)s3)CC2)cc1	824285701	TZCQNGHTTMAYLO-UHFFFAOYSA-N	363.458	2.448	10	10	FECE	
COc1ccc(N2CCCC2=O)cc1S(=O)(=O)Nc1ccc(O)cc1	586105700	UDCAHASQCCADNC-UHFFFAOYSA-N	362.407	2.328	10	10	FECE	
CN(C)c1ccc(CNC(=O)NCC2CCC(S(C)(=O)=O)CC2)cc1	902862075	DXSQABZRVVJGJX-UHFFFAOYSA-N	367.515	2.155	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCC[C@@]2(CCCOC2)C1	839219552	JTVUVNQQANUCML-OAQYLSRUSA-N	373.497	2.130	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC(Cn3cnnc3)CC2)c([N+](=O)[O-])c1	845701371	TTXDBVGKUJMTHA-HWKANZROSA-N	371.397	2.289	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C	844035994	PLWMDTQHFKNDSI-OAHLLOKOSA-N	374.510	2.348	10	10	FECE	
NC[C@@H](NC(=O)NCc1cc(Br)ccc1O)C1CCCC1	841989537	ZEJFBXOUDGKRAU-CYBMUJFWSA-N	356.264	2.471	10	10	FECE	
C[C@H](N[C@H]1CCc2nnn(C)c2C1)c1cc(Br)ccc1O	927147981	VNAUJDXMJDSLMW-ONGXEEELSA-N	351.248	2.491	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCO[C@@H]1CC1(F)F	852529066	DCBZDTZWAZKBQF-MRXNPFEDSA-N	369.412	2.089	10	10	FECE	
CC(C)(C)OC(=O)NC1(CC(=O)OCC(=O)c2ccc(O)c(O)c2)CC1	850313618	FSITWXZJFZMVSC-UHFFFAOYSA-N	365.382	2.271	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H]3COCCN3C3CCCC3)C2)cc1	855224130	DNLGKXDJNTZUKT-OXJNMPFZSA-N	373.497	2.034	10	10	FECE	
CC(C)(N)c1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)on1	852860190	MRLYUJSLDCQHJB-UHFFFAOYSA-N	372.469	2.007	10	10	FECE	
COC(=O)[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)Cc1cccc(F)c1	779516540	XXANEIUGXQZQGY-PMGBHYCQSA-N	373.380	2.398	10	10	FECE	
Cc1ccc(C(=O)N[C@H](C(=O)Nc2cn[nH]c2)c2ccccc2)c(O)c1O	780995864	UJYLBPSMAUYTNN-HNNXBMFYSA-N	366.377	2.239	10	10	FECE	
CC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCOC1	897485992	MSQHRZUJDFQQRE-IEBWSBKVSA-N	373.497	2.224	10	10	FECE	
CCOc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cn1	1132899560	YNIYHLHRFBQFDN-UHFFFAOYSA-N	354.454	2.162	10	10	FECE	
CN(Cc1ccccc1O)C(=O)CNC(=O)c1cnc(Cl)c(Cl)c1	1137345716	UDBBANPCHJQPBL-UHFFFAOYSA-N	368.220	2.482	10	10	FECE	
COc1cc(NS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)ccc1O	797819550	MCCRIQKJPWKBDD-UHFFFAOYSA-N	362.407	2.094	10	10	FECE	
COC(=O)[C@@H](NCc1cc(OC)cc(C(C)(C)C)c1O)c1ccnn1C	1333943910	BNQXKYIWECRBQG-INIZCTEOSA-N	361.442	2.436	10	10	FECE	
Cc1nc2cc(NC(=O)Cc3ccc(O)c(O)c3)ccc2n1[C@@H](C)CO	1468035432	SGXRVOXPVRWZPL-NSHDSACASA-N	355.394	2.490	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2C[C@H]2NC(=O)OC(C)(C)C)c1	1545684394	VLURNFUTWODZGD-DDTOSNHZSA-N	350.415	2.491	10	10	FECE	
O=C(Cc1ccc(-n2cnnn2)cc1)NCc1c(O)ccc2ccccc12	1635965320	VNXJUUFGIRJYMH-UHFFFAOYSA-N	359.389	2.380	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)Cc2ccc(O)c(O)c2)C1	1633158994	LCTDDHVWWXFHKA-ZDUSSCGKSA-N	364.442	2.404	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)c1ccccc1S(=O)(=O)C(F)F	1635960110	XHPVJELAYCQPJL-UHFFFAOYSA-N	357.334	2.024	10	10	FECE	
Cc1cc(Cn2c([C@H]3CCOC3)nnc2N(C)Cc2ccccc2O)on1	1742901528	WUJHCMXAPLPYAR-HNNXBMFYSA-N	369.425	2.469	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H](NC3CCOCC3)C2)cc1	1651150487	MWHRCKYMQNBBDX-MRXNPFEDSA-N	359.430	2.222	10	10	FECE	
O=C1/C(=C\c2ccco2)SC(=S)N1NS(=O)(=O)c1ccccc1	5684501	IOELEJFIDPJYTP-FMIVXFBMSA-N	366.445	2.374	10	10	FECE	
C[C@@H](NC1CCN(CCN(C)C)CC1)c1ccc(N2CCC(O)CC2)cc1	150948956	BFJNHTMTZRTFMG-GOSISDBHSA-N	374.573	2.324	10	10	FECE	
Cc1cccc(CNC(=O)[C@H]2[C@H](C)OCCN2C(=O)OC(C)(C)C)c1O	2139750024	BVQALGOPFLXYGV-DZGCQCFKSA-N	364.442	2.341	10	10	FECE	
CCOC(=O)N1CCC(N=NNc2ccc3c(c2)OCC(=O)N3C)CC1	1860494024	MYQDNZJXPZIOIN-UHFFFAOYSA-N	361.402	2.442	10	10	FECE	
COc1ccccc1OCC(=O)NC1CCN(Cc2ccc(N)cc2)CC1	586047260	LOEPVDKTWVZNOU-UHFFFAOYSA-N	369.465	2.437	10	10	FECE	
CN1CCc2cc([C@@H](CN)N3CC[C@H]3CNC(=O)OC(C)(C)C)ccc21	1881000758	CWJVIXQJTXQIEK-FUHWJXTLSA-N	360.502	2.278	10	10	FECE	
CN1CCc2cc([C@@H](N)C3(O)CN(C(=O)OCc4ccccc4)C3)ccc21	2001960949	HAXOGGWLQQUVAS-LJQANCHMSA-N	367.449	2.062	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1nccs1)C(=O)N1CC(N=[N+]=[N-])C1	2010402860	XDYKATYEFFOAFS-SNVBAGLBSA-N	352.420	2.100	10	10	FECE	
CC(C)N(C[C@H](O)CN1C(=O)c2ccccc2C1=O)c1ccc(CN)cc1	2025448536	QDPKKVYNAKDBQF-KRWDZBQOSA-N	367.449	2.017	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CC[C@@H](CC(N)=O)C3)ccc(N)c2C1	690718001	VYZRAIWMSHHEPO-ZDUSSCGKSA-N	374.485	2.264	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)Nc2ccc(N)cc2)C1	2044247263	HEEZZUTZIOTAAT-CQSZACIVSA-N	350.419	2.026	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C1	2060636335	WSIRWUBUQONQBY-QWHCGFSZSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H](CCNCc2ccc(O)cc2O)C1	2060833238	JXSGRQJABULQPJ-HNNXBMFYSA-N	352.431	2.213	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)COc1ccc(N)cc1	2106227922	HFEKSKNSAMXSQO-UONOGXRCSA-N	363.458	2.267	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](CF)(NC(=O)COc2ccc(N)cc2)C1	2106266925	WFSHBDFUHHYYQP-GOSISDBHSA-N	367.421	2.113	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(CCCOc2ccc(N)cc2)C1	2106753611	JVMQNLOLNHWSSR-GXTWGEPZSA-N	359.392	2.427	10	10	FECE	
COCCNCc1ccc(N(CCC(N)=O)Cc2ccccc2)cc1OC	2204545095	KWGZDKMJZWYBEJ-UHFFFAOYSA-N	371.481	2.313	10	10	FECE	
CCn1ncc(NC(=O)c2ccc(O)c(O)c2)c1I	2265345939	OWOXLQZXPDBIKN-UHFFFAOYSA-N	373.150	2.171	10	10	FECE	
COc1cccc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1O	2294130722	CEKRVLMKUYHSKU-UHFFFAOYSA-N	352.346	2.376	10	10	FECE	
CCN1C(=O)NC(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O	2313631552	QNUFLHVSXPBJCC-UHFFFAOYSA-N	355.306	2.337	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@]2(NCc3ccc(O)c(O)c3)CO[C@H]1C2	2312833021	UUIOVMRRMUEGBX-XLWVJDPXSA-N	350.415	2.012	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)C1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1	2337775086	VOIZFPDGQRZKKQ-UHFFFAOYSA-N	369.422	2.247	10	10	FECE	
CN(CC(=O)Nc1ccc(N)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F	2343613420	MUWLKWQHUWMEIB-HUUCEWRRSA-N	366.437	2.097	10	10	FECE	
Cc1cc(C)n(C[C@@H]2CN(C(=O)NCc3ccc(N(C)C)cc3)CCO2)n1	111416650	VPGXGPRUZOZGPV-IBGZPJMESA-N	371.485	2.177	10	10	FECE	
COC(=O)c1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2C)cc1	115592729	DLLPUAXTEGMOEB-UHFFFAOYSA-N	362.451	2.326	10	10	FECE	
CN1C(=O)[C@@H](O)c2ccc(N3C[C@@H]4CCN(Cc5ccccc5)[C@@H]4C3)cc21	2356974059	MXLQGHDMUNFFQN-DQLDELGASA-N	363.461	2.407	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C(=O)N2CCc3cc(O)c(O)cc3C2)C1	2366905831	IABLOMVXPDRPII-XOBRGWDASA-N	374.437	2.240	10	10	FECE	
C[C@@H]1C[C@@H](NC[C@@]2(CO)COCC3(CCC3)N2C)c2c(O)ccc(F)c21	527955347	NPAPXKCTMJYPBR-WAWZGNHOSA-N	364.461	2.285	10	10	FECE	
CCN[C@H]1C(=O)Nc2cc(N(C)[C@H]3CCOC3)c(Br)cc21	250740690	VEBGWOBDAMALFY-LKFCYVNXSA-N	354.248	2.277	10	10	FECE	
O=C(CN1C[C@@H](O)C[C@@H]1CO)Nc1ccc(N=Nc2ccccc2)cc1	254557143	IOFNPUNBWZVMQP-MSOLQXFVSA-N	354.410	2.468	10	10	FECE	
O=C1COC[C@H](C[C@@H]2CN(C(=O)/C=C\c3cccnc3)c3ccccc32)N1	809245001	GGWCGXQIAWNFLS-ZMJQMOPZSA-N	363.417	2.130	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@@H]3C[C@H]32)C1	646748717	RTYHCAVKNDDDIY-WOJBJXKFSA-N	353.466	2.408	10	10	FECE	
C[C@@H]1Oc2cc(C(=O)O)ccc2N(OCCOc2ccc(N)cc2)C1=O	821299696	MUSKIMCZIFFNTL-NSHDSACASA-N	358.350	2.092	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@H](c2ccccn2)C1	839220291	HIJNNVHESWFGCY-KRWDZBQOSA-N	366.465	2.122	10	10	FECE	
Cc1nnc(CNC(=O)/C=C\c2ccc(N3CCOCC3)cc2)n1C1CC1	588402593	IYAWERLNWXMLJQ-WTKPLQERSA-N	367.453	2.088	10	10	FECE	
COc1cc(Br)cc([C@@H](C)N[C@H]2CCCCNC2=O)c1O	848518462	LSWBBBGZPQRWHU-SKDRFNHKSA-N	357.248	2.483	10	10	FECE	
Fc1cc(CN2CCO[C@]3(CCSC3)C2)ccc1N1CCOCC1	843417592	JPLXAWVOGVKDQQ-GOSISDBHSA-N	352.475	2.370	10	10	FECE	
COc1cc(Br)cc([C@H](C)NCC[C@H]2CNC(=O)C2)c1O	926975908	BHFFHSOUICCZDV-VHSXEESVSA-N	357.248	2.340	10	10	FECE	
CCNCc1ccccc1NC(=O)C(=O)N[C@H](C)c1cc(OC)ccc1O	841029821	BATMZLBYNFATBZ-CYBMUJFWSA-N	371.437	2.326	10	10	FECE	
Cc1cc(C(=O)N2CCC[C@@H]3CCNC(=O)[C@@H]32)c(C)n1-c1ccccn1	922463703	SYQIALGOQPHAHP-CRAIPNDOSA-N	352.438	2.230	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCCN3C(=O)C(C)C)C2)cc1	855229061	HEVAQZWGTBBPGT-CRAIPNDOSA-N	359.470	2.037	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CCO[C@H](CCF)C1	859348890	ZEZVPHHEKATACO-MRXNPFEDSA-N	366.433	2.108	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCN(CC(F)(F)F)C3)C2)cc1	855223358	FYMWVFYEHJKRDY-UONOGXRCSA-N	371.403	2.274	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(F)(F)C3(O)CCCC3)C2)cc1	855227057	VTDUHPWZTTZUTC-CYBMUJFWSA-N	354.397	2.331	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3CCc4nc[nH]c4C3)C2)cc1	854981742	ZVYALAYDKPACMX-GJZGRUSLSA-N	354.454	2.166	10	10	FECE	
COc1cc(Br)cc([C@H](C)N[C@@H](C)C(=O)N(C)OC)c1O	858580931	ZXTSJFWSFQHCDI-IUCAKERBSA-N	361.236	2.222	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(C)(C)c3cnn(C)c3)CC2)cc1F	752526310	NSDGLJGAWKEJGT-UHFFFAOYSA-N	360.433	2.194	10	10	FECE	
CCn1nc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(=O)c2ccccc21	773739349	FQZYUEUSQKLJMI-LBPRGKRZSA-N	367.405	2.189	10	10	FECE	
COC(=O)c1c(CN2CC[C@H](N3CCCC3=O)C2)c2cc(F)ccc2n1C	894545219	NKPGSLCFGZJQEV-AWEZNQCLSA-N	373.428	2.301	10	10	FECE	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCc2nc(N)n[nH]2)c1	1160775407	DWKXFQNMXLOUFL-UHFFFAOYSA-N	358.833	2.420	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)N2CCC(CN=[N+]=[N-])CC2)C1	2124533767	FVWFOYXMPKVPJY-KGLIPLIRSA-N	367.450	2.153	10	10	FECE	
C[C@H](CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccccn1	1328418294	BAVNAPHTYSKLJE-HUUCEWRRSA-N	354.454	2.245	10	10	FECE	
O=C(NCC[C@@H]1CC1(F)F)C(=O)NCc1ccc(N2CCCC2)cc1	1328513519	TYJRRFFSMUGFIC-CQSZACIVSA-N	351.397	2.065	10	10	FECE	
CN(C)c1ccc(CN(C(=O)C(=O)NCCc2ccns2)C2CC2)cc1	1262141780	CWABZXVDQVXSDV-UHFFFAOYSA-N	372.494	2.059	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]2CN(c3cc4c(cc3N)OCCO4)C[C@@H]21	2132356342	KYCLPZMWAMNJAI-WFASDCNBSA-N	361.442	2.486	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@]34C[C@@H]3COC4(C)C)CC2)c(OC)c1	1287483927	ABILCSSCPFWXLQ-JLTOFOAXSA-N	360.454	2.168	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1	1295792416	PEDQXABBSGWEEG-GXTWGEPZSA-N	364.442	2.402	10	10	FECE	
Cc1cc(C(=O)N2CCN(Cc3ccno3)CC2)c(C)n1-c1ccccn1	1528723659	YDFLUZBJHFFMBU-UHFFFAOYSA-N	365.437	2.435	10	10	FECE	
C#CCN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N(C)C)cc1C	1705552193	JARORMUYZFAJBC-QGZVFWFLSA-N	353.470	2.274	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)c3ccoc3CC(=O)OC)CC2)cc1	1632157834	FBEWCCLCJMFPPL-UHFFFAOYSA-N	372.421	2.356	10	10	FECE	
COc1ccc(N2CCN(CC(=O)NCCC(C)(C)C)CC2)c(OC)c1	1648084003	BHKVKCOQQZVCEZ-UHFFFAOYSA-N	363.502	2.378	10	10	FECE	
CC(C)NCc1ccc(N(C)CCS(C)(=O)=O)cc1Br	232808613	JHVQUMVYWPSCTN-UHFFFAOYSA-N	363.321	2.428	10	10	FECE	
Nc1ccc(-n2nnc(C(=O)N3CCC(Cc4ccccc4)CC3)n2)cc1	1857878476	DCJCSIAEYHJFIC-UHFFFAOYSA-N	362.437	2.339	10	10	FECE	
O=C(O)[C@@H]1[C@H]2OCCN(Cc3cc(Cl)cc(Br)c3O)[C@H]12	2149274422	AQTUJUSTDXDUSK-HOSYDEDBSA-N	362.607	2.092	10	10	FECE	
COc1ccc(O)c([C@H](C)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1	702794672	HZJUGUUAEKDIAG-GDZNZVCISA-N	366.458	2.279	10	10	FECE	
C[C@@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C)c1c(O)cccc1O	394391218	HLGWCJWBMHRUCB-ZIAGYGMSSA-N	365.474	2.300	10	10	FECE	
O=C(c1cccc(O)c1O)N1CCC[C@H]2CC[C@]21CNC(=O)C(F)(F)F	2174800191	NCTSPCQWWHREQB-QFYYESIMSA-N	372.343	2.161	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@](F)(CNC(=O)c2ccc(O)c(O)c2)C1	2054414826	APFIRNNIPMKZSL-OYHSWFHJSA-N	354.378	2.223	10	10	FECE	
CO[C@@]1(C(=O)NCC2(CN=[N+]=[N-])CC2)CCN(C(=O)OC(C)(C)C)C1	2060616912	HGHGVZROCDIMSO-INIZCTEOSA-N	353.423	2.219	10	10	FECE	
C[C@@H](COCC(=O)N1CCC[C@H](CN=[N+]=[N-])C1)NC(=O)OC(C)(C)C	2060634575	BJROYGBGLWAPJF-QWHCGFSZSA-N	355.439	2.465	10	10	FECE	
CCCN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(O)c(O)c(O)c1	2068622071	UIZVFECHWCSMAB-UHFFFAOYSA-N	354.403	2.180	10	10	FECE	
CN(C(=O)C1=C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)c1cccc(F)c1	2080948229	SEIQBFZMWRSFMG-GJZGRUSLSA-N	350.390	2.373	10	10	FECE	
CN(CC(=O)c1ccc(O)c(O)c1)C[C@@]1(Br)CC1(F)F	2202538587	CGUTYDMOQDWYOL-LBPRGKRZSA-N	350.159	2.385	10	10	FECE	
CO[C@]1(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])CCN(C(=O)OC(C)(C)C)C1	2218741256	CAXUNXGUUCDWPK-HWWQOWPSSA-N	353.423	2.360	10	10	FECE	
COc1ccc(N2C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)c(OC)c1C	2278061807	KTOLLWDXWAPWMH-KBPBESRZSA-N	366.458	2.477	10	10	FECE	
COC(=O)c1ccc(C=C2SC(=S)N([C@@H](C)C(=O)O)C2=O)cc1	2295934265	RLCRWICJGCGKTD-QMMMGPOBSA-N	351.405	2.148	10	10	FECE	
CO[C@H]1C(=O)N(C(C)C)[C@@H]1C1CCN(Cc2cccc(F)c2O)CC1	2297646944	YXWOOGNKCXRXNW-SJLPKXTDSA-N	350.434	2.378	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2COC[C@]2(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2333612054	CROYMELEZWAOMA-PFHKOEEOSA-N	365.434	2.218	10	10	FECE	
O=C1N=C(S)N(Cc2ccc(F)cc2)C(=O)/C1=C\NCc1cccnc1	103097768	OGPMMYXHNBMXOM-GDNBJRDFSA-N	370.409	2.049	10	10	FECE	
Cc1nn(C)c(Cl)c1S(=O)(=O)NCc1ccc(N(C)C)c(F)c1	58507306	BHOFTALYCFLFLL-UHFFFAOYSA-N	360.842	2.066	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@H](F)C3)cc2)CC1	1345616258	CEYUQDWSTRAQGG-ROUUACIJSA-N	361.461	2.500	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1	122441651	QSJQQQNWANYBFD-JTQLQIEISA-N	369.343	2.304	10	10	FECE	
C[C@@](CC(=O)O)(NC(=O)OCc1ccccc1)c1ccc(O)c(O)c1O	1951964686	VIOUDJKXSJNLIX-SFHVURJKSA-N	361.350	2.420	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2C[C@@H](CO)[C@@H](c3ccsc3)C2)cc1	249556173	JVDUWIFJWGLESL-PKOBYXMFSA-N	373.522	2.138	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)N(C)CCCCO)cc2F)C[C@@H](C)O1	276482707	OKNXBLSAMMSTQO-HUUCEWRRSA-N	367.465	2.353	10	10	FECE	
COc1ccc(N2CC[C@H](N[C@@H]3CCC[C@H](S(C)(=O)=O)C3)C2)cc1	826846320	SQMMPRLOQIRQLZ-VKJFTORMSA-N	352.500	2.219	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N2CCN(C3CC3)c3ccccc32)c1	588527833	XEXKYBLVYDMLBY-TWGQIWQCSA-N	362.433	2.470	10	10	FECE	
CCOc1ccncc1S(=O)(=O)N[C@H](C)c1cc(OC)ccc1O	830623384	NKNXLDYMPKFTAQ-LLVKDONJSA-N	352.412	2.234	10	10	FECE	
CN1CC[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](c2cnn(C)c2)C1	849486617	LHBXMEZXMOQTPI-UXHICEINSA-N	369.513	2.180	10	10	FECE	
Cc1cc(O)c(CN2CCC[C@H](CNC(=O)[C@@H]3CCCN3)C2)c(Cl)c1	843058792	YJUVUDDPEKTRSV-PBHICJAKSA-N	365.905	2.434	10	10	FECE	
Cc1ccc(C(=O)NCC2(C(=O)OC(C)(C)C)CCOCC2)c(O)c1O	843994905	WHFPELPAYSYGOW-UHFFFAOYSA-N	365.426	2.275	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)[C@@H]1CCCN1C(=O)C1CC1	843884856	DJYGFZWICYCSEK-ZDUSSCGKSA-N	367.243	2.172	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc(-n4cncn4)cc3)C2)cc1	855228740	FQPABDHMGQVERS-MRXNPFEDSA-N	363.421	2.285	10	10	FECE	
COC/C(C)=C\C(=O)Nc1ccc(O)c(CNC(=O)/C=C(\C)COC)c1	923118096	GISQJRGSOMVJTF-GUZOQHLSSA-N	362.426	2.132	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCC3SCCS3)C2)cc1	852450888	YTUFBWURTLUTOI-LBPRGKRZSA-N	353.513	2.379	10	10	FECE	
CCS(=O)(=O)c1ccc(CNC(=O)NCc2c(O)cccc2F)s1	922260616	KQOZYTBAYYIUDM-UHFFFAOYSA-N	372.443	2.386	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3CCN4CCOC[C@@H]4C3)c2C)cc1	754467368	ZHWWDBQZFCGDSU-SFHVURJKSA-N	369.465	2.259	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](N)c3ccccc3)C2)cc1	851665048	PBIRAPLTORRSDQ-LPHOPBHVSA-N	354.454	2.273	10	10	FECE	
CN(C)c1ccc([C@H](N)CNC(=O)[C@H]2COC[C@@H]2c2ccccc2)cc1	852791774	MFOUPZSMPGONSX-HSALFYBXSA-N	353.466	2.299	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCCN(C)C3CCCC3)C2)cc1	852067775	FUPZRSCFOIMZQI-INIZCTEOSA-N	360.502	2.448	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCN1C1CCCC1	859319694	SBGKCYZTBMFQKW-SFHVURJKSA-N	373.497	2.264	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCN(CCO)[C@@H](C)C2)c1	860991082	NZMJITDEISMGQW-INIZCTEOSA-N	369.465	2.045	10	10	FECE	
CCOC(=O)N1CCC(C(=O)NCc2ccc3cccnc3c2O)CC1	862029349	VZFANRSMYRIIRY-UHFFFAOYSA-N	357.410	2.425	10	10	FECE	
Cc1cc(Br)cc(/C=C2\SC(=S)N(CC(N)=O)C2=O)c1	772180489	YAUVQYNAZRORBQ-YHYXMXQVSA-N	371.281	2.444	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H](OC)c3ccc(O)cc3)CC2)cc1	786632968	MMOAGDXTLPKSPZ-IBGZPJMESA-N	356.422	2.437	10	10	FECE	
COc1cc(N2CCN(Cc3c(C)ccnc3N)CC2)cc(OC)c1OC	894462116	STQXLTNOBNDKGC-UHFFFAOYSA-N	372.469	2.320	10	10	FECE	
C[C@H]1CN(c2ccc3c(c2)N(C)C(=O)[C@H]3N)CCN1Cc1ccccc1	396657754	WYJRRHXWNDWRBA-YWZLYKJASA-N	350.466	2.374	10	10	FECE	
COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)ccc1O	797820475	ZHUGKGHFWCBADL-UHFFFAOYSA-N	354.340	2.118	10	10	FECE	
COc1ccc([C@H](C)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c(O)c1	2116262307	PYRTXVLRTVWULM-XGWLTEMNSA-N	366.458	2.422	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@@H]2CCOC2)n1C[C@H]1CC=CCO1	1314753430	PIKGXHFPZNBBDV-IAGOWNOFSA-N	370.453	2.469	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](CC(=O)N2CCC[C@H](CN=[N+]=[N-])C2)[C@@H](O)C1	2124536580	RVNAXRADPOCDQT-RDBSUJKOSA-N	367.450	2.153	10	10	FECE	
C[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CC[C@@H]1NC(=O)OC(C)(C)C	2132392841	MWSOPZXPFGGBLT-JQWIXIFHSA-N	366.414	2.179	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)c2cnc3c(c2)NC(=O)CS3)c1	1445968305	LUBDNOVXLXYMKD-VIFPVBQESA-N	359.407	2.331	10	10	FECE	
Cc1cc(=O)oc2cc(OCC(=O)NCc3ccc(O)cc3O)ccc12	1451739588	PLMCDHGZVYGJBS-UHFFFAOYSA-N	355.346	2.208	10	10	FECE	
CON(C)C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S	1539992707	IJJKCVMSRNRTEA-XFXZXTDPSA-N	354.428	2.437	10	10	FECE	
Cc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)c(O[C@@H]2CCOC2)c1	1545727304	KYUIEOIMTBVCEG-MRXNPFEDSA-N	357.406	2.433	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc2c(nc1O)CCC[C@H]2O	1627028586	JRRADLYVGNHDAZ-CQSZACIVSA-N	363.410	2.278	10	10	FECE	
COC(=O)N1CC(NC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)C1	1639005278	YUSVCBIZBLSAHE-UHFFFAOYSA-N	355.394	2.087	10	10	FECE	
CC(C)(C)OC(=O)N=c1cc[nH]cc1C(=O)NCc1cc(O)ccc1O	1651225566	OWXIIJHWTIUYMJ-UHFFFAOYSA-N	359.382	2.192	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1CC(C)(C)N1CCOCC1	1762871458	YDWHBGPPGHRWNV-UHFFFAOYSA-N	373.501	2.293	10	10	FECE	
O=C(CCn1c2c(c3ccccc31)CCCC2)N1CCN(C2COC2)CC1	1852990481	ZIFQTLDBTQGGPM-UHFFFAOYSA-N	367.493	2.453	10	10	FECE	
NC(=O)C1(NCc2ccc3c(c2)CCO3)CCN(Cc2ccccc2)CC1	2154496252	CUMGNJJJCOTZPO-UHFFFAOYSA-N	365.477	2.231	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CNC[C@H]1Cc2nncn2C1	2167752494	YIXJHWKNTKQUIF-MRVPVSSYSA-N	357.639	2.362	10	10	FECE	
COC[C@@](C)(CC(=O)NCc1ccccc1O)NC(=O)OC(C)(C)C	2060347439	KJMRRKXXMVNZMY-GOSISDBHSA-N	352.431	2.328	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)N2CCC(N=[N+]=[N-])CC2)C1	2060633790	RNYHUABXGOZANE-ZDUSSCGKSA-N	353.423	2.314	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1c1cc2c(cc1N)OCC(=O)N2	2106878553	QFZIEZXJFUWLGQ-WDEREUQCSA-N	362.430	2.092	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CC[C@@H](N)c3ccccc32)=C[C@@H]1O	2201006743	PVSGOQGGVMZZRT-INMHGKMJSA-N	373.453	2.007	10	10	FECE	
CN1CCc2cc([C@H](N)[C@]3(O)CCC[C@@H]3NC(=O)OC(C)(C)C)ccc21	2106849552	XKTDVUGQHSDNSL-ZWOKBUDYSA-N	361.486	2.487	10	10	FECE	
CC(C)(C)OC(=O)N1CCOCC[C@@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2257615027	KZDNVYYRSIUSSB-CYBMUJFWSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)NCCCN(CCO)CCCOc1ccc(N)cc1	2266417813	QALBLPGFOZKCSZ-UHFFFAOYSA-N	367.490	2.247	10	10	FECE	
COc1ccc(C=C2C(=O)NC(=O)N(c3ccccc3OC)C2=O)cc1O	2297327068	VMWGZKPCTNEYLL-UHFFFAOYSA-N	368.345	2.076	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)NCCC(=O)N1CCCCC1	2297505785	JFILDTBLXSLUHF-UHFFFAOYSA-N	371.481	2.055	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)NCCOC	174424254	MBKRFLJANUNYMR-LLVKDONJSA-N	359.264	2.128	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N(C[C@H]2CCCO2)c2ccncc2)c1	114361715	VHLRDESTTFVLKF-SHCNBLLESA-N	366.421	2.062	10	10	FECE	
COc1cc(N(C)[C@H]2CCN(CC(F)(F)F)C2=O)cc(OC)c1OC	125794819	GZARFFNNURVFLG-NSHDSACASA-N	362.348	2.312	10	10	FECE	
CC(C)[C@H]1CN(C)CCN1C(=O)/C=C\c1ccc(N2CCOCC2)cc1	255323154	OVBIUSPSURUWQC-QKWWCAPFSA-N	357.498	2.335	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccc(N3CCOCC3)cc2)CN1C1CC1	255530017	XZFZZLIGSSMNID-PELVPNSASA-N	355.482	2.278	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2C[C@@H](O)C2)C1	629074039	OLFZGQSSIMZSGT-IYBDPMFKSA-N	355.482	2.295	10	10	FECE	
CCN(C(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@H](C)c1cccnc1	283602075	USZFMHSXLNYUAE-OAHLLOKOSA-N	354.454	2.374	10	10	FECE	
CSc1cc(N(C)Cc2nn(C)nc2Br)ccc1CN	2382207032	IKZNNRBWGSZUMI-UHFFFAOYSA-N	356.293	2.395	10	10	FECE	
COc1cc(Br)cc(CN(CCN(C)C)CCN(C)C)c1O	809740873	DRTKUOOZOXMNBU-UHFFFAOYSA-N	374.323	2.089	10	10	FECE	
Cc1nnc(NC(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)n1C	560469146	UVSASKGGGFNBOO-UHFFFAOYSA-N	366.469	2.483	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H]3[C@@H](CO)[C@@H]3C2)C1	646663896	VRCUKXMSFJPVGC-DZFIZOCASA-N	367.493	2.105	10	10	FECE	
COc1ccc(N2CCCN(C(=O)[C@@H](O)c3ccccc3OC)CC2)cc1	900293956	APBMRSVNPNOFBS-FQEVSTJZSA-N	370.449	2.476	10	10	FECE	
CO[C@@](C)(CCNC(=O)OC(C)(C)C)[C@@H](N)Cc1ccc(O)c(O)c1	1952846649	FMIJFACHVWKZNB-YJBOKZPZSA-N	354.447	2.288	10	10	FECE	
COc1cc(Br)cc([C@H](C)NCCCn2cncn2)c1O	848540638	IVJQYIJCNCDASB-JTQLQIEISA-N	355.236	2.496	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCCN3CCCC[C@H]3C)C2)cc1	849225434	URUDXSHVKZBCOY-IAGOWNOFSA-N	360.502	2.448	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)C3(C(F)F)CC3)CC2)cc1	843519922	HLSFOOYPOMCLHO-UHFFFAOYSA-N	367.440	2.369	10	10	FECE	
CCOc1ccc([C@H](C)NC(=O)C(=O)NCCc2ccc(N)cc2)cc1	842079514	APPVDSREJYVEMJ-AWEZNQCLSA-N	355.438	2.204	10	10	FECE	
C[C@@H]1CCn2ncc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2C1	843531813	INDKSUHVVNFNBH-CQSZACIVSA-N	372.444	2.371	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)Oc3cccc(CO)c3)C2)cc1	855233649	JZOHVGNGTGMKQE-NVXWUHKLSA-N	370.449	2.350	10	10	FECE	
CC(C)(C(=O)NCc1ccc(N2CCSCC2)cc1)n1cc(N)cn1	852860091	JURNYXQNRSFGBQ-UHFFFAOYSA-N	359.499	2.070	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCCO[C@@H]3CC3(F)F)CC2)cc1F	852529362	GYEZSZREYIGWIZ-OAHLLOKOSA-N	373.375	2.090	10	10	FECE	
COC(=O)/C=C/c1ccc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)o1	855225711	LQEJQYWUOOBCCE-PLWJUESGSA-N	370.405	2.483	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)OCCc2ccc(F)c(F)c2)c1	768602225	CCKMRUMDEFYJNZ-UHFFFAOYSA-N	371.361	2.441	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@@H]2[C@H]3CC[C@@H](NC3)[C@H]2C1	861590609	URVCRJAQRYWVMG-OJAHFUOMSA-N	352.482	2.202	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCCOCC3CCC3)CC2)cc1F	765302510	QSHQALSCWVVJEV-UHFFFAOYSA-N	365.449	2.483	10	10	FECE	
CC(C)NC(=O)N1CCC[C@H]1C(=O)NCc1ccc2cccnc2c1O	862027603	YLPBHHOKONXTHV-HNNXBMFYSA-N	356.426	2.139	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)c1ccnn1C1CCOCC1	862025567	XPHSYUSZUCOHDU-UHFFFAOYSA-N	352.394	2.418	10	10	FECE	
COc1ccc(C(=O)NCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1	773991474	YPVBBJCENTTZSI-AWEZNQCLSA-N	355.438	2.368	10	10	FECE	
COc1cc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n(C)n1	881253276	XWPUKDZMHSYDNV-ZDUSSCGKSA-N	359.430	2.148	10	10	FECE	
Cc1cc(C(=O)NCCN=S2(=O)CCCC2)c(C)n1-c1ccccn1	898422853	SZCUFATYLNBTCU-UHFFFAOYSA-N	360.483	2.481	10	10	FECE	
O=C(NCCCn1ccnc1)NCc1cc(Br)ccc1O	794805318	UGPFQFVCRUAICP-UHFFFAOYSA-N	353.220	2.241	10	10	FECE	
CC(C)(C)OC(=O)N1CC([C@H]2CCN(C(=O)c3ccc(O)c(O)c3)C2)C1	2118173671	NTBOXXVYGOWBAX-ZDUSSCGKSA-N	362.426	2.427	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCCN(CC(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1	2124505388	KXWNDWNTWMBYJG-ZIAGYGMSSA-N	366.466	2.134	10	10	FECE	
C[C@@H](NC(=O)C(=O)NC[C@@H]1CCC2(CCC2)CO1)c1ccc(N(C)C)cc1	1338554664	BIWFMIWEPIGJAF-QAPCUYQASA-N	373.497	2.395	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)NCc2cccc(O)c2O)C1	1349080056	YEJZNUGZIRAOGN-DJJJIMSYSA-N	362.426	2.361	10	10	FECE	
C[C@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1cc(O)c(O)c(O)c1	2132401726	VVASSIMOBYEBQB-SNVBAGLBSA-N	366.414	2.131	10	10	FECE	
C[C@@H]1[C@H](C(=O)NCc2cccc(O)c2O)CCN1C(=O)OC(C)(C)C	1520509787	WCDNWUPDARKJDS-DGCLKSJQSA-N	350.415	2.360	10	10	FECE	
CN(C(=O)Cn1c2c(c3cc(F)ccc31)CCCC2)[C@@H]1CCC[C@H](O)[C@H]1O	1615076951	SFZUDPPOOILBEB-DYXWJJEUSA-N	374.456	2.392	10	10	FECE	
Cc1ccc(O)c(CNC(=O)CCn2c(S)nc3ccccc3c2=O)c1	1611598378	NRQJVTYEQZXJDN-UHFFFAOYSA-N	369.446	2.406	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](c1ccccc1)c1nc[nH]n1	1556594725	GHTGUPPKXZCCID-HEWZJLJBSA-N	350.378	2.177	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1cccc(S(=O)(=O)C(F)F)c1	1638357166	QHRVBTDQEYOOKN-UHFFFAOYSA-N	357.334	2.024	10	10	FECE	
CCN(CC)C[C@H](C(N)=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	5848351	NZCXJJBEJUBDAN-SFHVURJKSA-N	350.418	2.373	10	10	FECE	
COc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1N1CCOC1=O	1586832576	QBGNOOZRTIWRAC-UHFFFAOYSA-N	358.350	2.244	10	10	FECE	
Cc1nnc2n1C[C@H](C(=O)N(C)Cc1ccc(N3CCCC3)cc1)CC2	1587552559	UPGGHBFDKXNDNL-QGZVFWFLSA-N	353.470	2.408	10	10	FECE	
CC[C@@H](C)N1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC1	1683701640	FYQGUCOMBGMKQH-GOSISDBHSA-N	373.545	2.064	10	10	FECE	
CC(C)(C)OC(=O)N1CC(c2nc(=NCc3ccc(F)cc3O)[nH][nH]2)C1	2139878907	FBGHGAUMIBXQTF-UHFFFAOYSA-N	363.393	2.018	10	10	FECE	
CCCOc1cccc(/C=C2/SC(=S)N([C@@H](CO)C(=O)O)C2=O)c1	1858595333	AGETWHXLCXGTDX-OXBCTQFSSA-N	367.448	2.122	10	10	FECE	
C[C@H](C(=O)O)[C@H](C)C(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C	1866262717	ZDLHMFWMIAUEEM-XEZPLFJOSA-N	358.442	2.049	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NCc2cccc(O)c2O)CCO1	2036666049	GHADIFJHWUOIML-KBPBESRZSA-N	352.431	2.260	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](CF)(NCc2ccc(O)c(O)c2O)C1	2040512015	USLQIGPUOQFDLT-QGZVFWFLSA-N	356.394	2.242	10	10	FECE	
CN1CCc2cc([C@H](N)[C@]3(O)CCN(C(=O)OC(C)(C)C)[C@H]4C[C@H]43)ccc21	2177678656	LPQVBEGHUATCIG-NKMKZGIRSA-N	373.497	2.439	10	10	FECE	
[N-]=[N+]=N[C@H]1CCCN(S(=O)(=O)N2CC(OCc3ccccc3)C2)CC1	2043674552	YVMNOUYFDSIXBQ-HNNXBMFYSA-N	365.459	2.297	10	10	FECE	
CN1CCc2cc([C@H](CN)N3CCN(C(=O)OC(C)(C)C)[C@H]4C[C@@H]43)ccc21	2194988408	NAPQJIURUJTNDU-FHWLQOOXSA-N	372.513	2.372	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](C(=O)N1CC[C@H](N=[N+]=[N-])C1)[C@@H]1CCOC1	2060612953	LYFYUPFIRUWCFU-AGIUHOORSA-N	353.423	2.075	10	10	FECE	
CO[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CN=[N+]=[N-])CC1	2060619864	RYVVRNKDVXYVDE-DGCLKSJQSA-N	355.439	2.464	10	10	FECE	
CC(=O)Nc1ccc(NC=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1	2296580468	UVBXLJYXTDVDFZ-UHFFFAOYSA-N	370.409	2.352	10	10	FECE	
CCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)NC1=O	2296707807	MUYMJTJQJJCERV-UHFFFAOYSA-N	360.464	2.314	10	10	FECE	
CSCC[C@H](C(=O)O)N1C(=O)C(=Cc2ccccn2)SC1=S	2297469804	ZOTRGBRZFLKMPB-SNVBAGLBSA-N	354.478	2.489	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CCO[C@H]2C[C@@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2331228395	WANPTGJIDHTZLT-XQQFMLRXSA-N	365.434	2.360	10	10	FECE	
COC[C@@](CNC(=O)OC(C)(C)C)(C(=O)O)N(C)c1ccc(OC)cc1	2348541091	MNUSJAMZHDTCDA-SFHVURJKSA-N	368.430	2.126	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](c1cnn(C)c1)N(C)C	118086848	LVXKOUDUOJACQK-LJQANCHMSA-N	372.517	2.321	10	10	FECE	
COC(=O)[C@@H](CO)NC(=O)/C=C/c1cc(C)n(-c2ccc(C)cc2)c1C	177933888	KJPHCXRAZACTEO-RUJXFNLJSA-N	356.422	2.066	10	10	FECE	
Oc1ccc(F)cc1CN1CCN(C[C@H](O)COc2ccccc2)CC1	180118272	LWBMVZOEKYBVQG-SFHVURJKSA-N	360.429	2.089	10	10	FECE	
O=C1NCCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1c1ccccc1Cl	181999735	UFCCBYOWDPASEF-IWHGQQBYSA-N	372.808	2.464	10	10	FECE	
Cc1c(O)c(O)c(C)c2c1Oc1c(O)c(O)c3c(c1[C@H]2O)[C@H](O)C=CO3	14611731	CFHASEWULLWTPB-UHLUBPPHSA-N	360.318	2.253	10	10	FECE	biogenic
CN(c1cc2c(cc1Br)[C@H](N)C(=O)N2)[C@H]1CCCC[C@H]1O	252915222	AMGVLRQRZOODCC-YUTCNCBUSA-N	354.248	2.141	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC[C@@H](c2ccncn2)C1	373940494	YNOVSVSWJPRBLH-GOSISDBHSA-N	367.497	2.381	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC[C@@H]2c2nncn2C)c([N+](=O)[O-])c1	271117284	RDSOVUTZHNOIDY-IQCBXXCUSA-N	357.370	2.251	10	10	FECE	
CN(C)c1ccc(CNC(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1	282673722	CNBRXVBYWKXLDI-WMZOPIPTSA-N	361.486	2.120	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CC(C)(C)O[C@@]3(CCOC3)C2)c1O	280272215	MPTCYIGLDHXOSO-KRWDZBQOSA-N	352.387	2.079	10	10	FECE	
C[C@H](NC(=O)C(=O)N1CCC(c2cnc[nH]2)CC1)c1ccc(N(C)C)cc1	807674667	OWKUEECTBMWDSY-AWEZNQCLSA-N	369.469	2.059	10	10	FECE	
CN(C(=O)CN1[C@H]2CC[C@@H]1CN(C(=O)OC(C)(C)C)C2)c1ccc(N)cc1	2162953917	XCUCEMIAFOTQSJ-CALCHBBNSA-N	374.485	2.315	10	10	FECE	
C[C@@H](NC[C@@H](CO)c1cccnc1)c1ccc(N2CCOCC2)c(F)c1	806180063	ZISCJDLGFMTFFL-QAPCUYQASA-N	359.445	2.484	10	10	FECE	
CS(=O)(=O)N1CCCC[C@@H]1CNCc1cc(Cl)c(F)cc1O	816608791	JQNVWORZJUGVFU-LLVKDONJSA-N	350.843	2.088	10	10	FECE	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)NC1C[C@@H]2C[C@H]2C1	823688276	KILCBECOCHTSAO-STQMWFEESA-N	351.397	2.399	10	10	FECE	
Cc1cc(CC(=O)NCCN2C(=O)CSC2=O)c(C)n1-c1ccccc1	822745394	LYOHAWUIQWCHIL-UHFFFAOYSA-N	371.462	2.448	10	10	FECE	
CN1CCC[C@](O)(CC(=O)N(Cc2ccco2)Cc2ccccc2O)C1	901056233	WVGRWEQUGNRTJZ-FQEVSTJZSA-N	358.438	2.361	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=S)NCCN1CCOCC1	917593699	TVLQREVFXBGJLQ-UHFFFAOYSA-N	364.559	2.170	10	10	FECE	
COc1ccc(N(C)CC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1	844353098	GMSZKRXPCNZZGR-UHFFFAOYSA-N	373.478	2.178	10	10	FECE	
C[C@H](NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(Cl)cc1O	841749317	CILFXSNPUOHURY-WVQJBOLRSA-N	351.834	2.417	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC1CCC(N2CCNCC2)CC1	841993443	DFBRVCOLIVFEOF-UHFFFAOYSA-N	373.545	2.110	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)N1CCC12CCCC2	846282737	CQKLSIKYLGAXTC-UHFFFAOYSA-N	371.481	2.027	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3nnc(C)s3)C2)cc1	852450735	TVXXLFBDHTVTAE-ZDUSSCGKSA-N	361.471	2.275	10	10	FECE	
C[C@H]1[C@@H](NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C[C@H]2CC[C@H]1N2	925777654	PXWMTRUWSGCQSK-JRJVTICQSA-N	356.514	2.007	10	10	FECE	
C[C@@H](NC(=O)N1CCC([C@@H]2COC(=O)N2)CC1)c1ccc(N(C)C)cc1	922056381	ZIVNRCBWDUNUFN-DYVFJYSZSA-N	360.458	2.344	10	10	FECE	
CCOC(=O)[C@H](CC1CC1)NCc1ccc(N2CCOCC2)c(F)c1	753567471	GGBBWIJUCWJUKB-KRWDZBQOSA-N	350.434	2.484	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](O)c3ccccc3)C2)cc1	852453264	JQORJRWDIAWWFF-VQIMIIECSA-N	355.438	2.307	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3CO[C@H](C4CC4)C3)CC2)cc1F	858911802	QQDVXIOJJLGIOV-KSSFIOAISA-N	363.433	2.233	10	10	FECE	
Cc1cc(C(=O)N2C[C@H](O)C[C@H]2C(N)=O)c(C)n1-c1ccc(C(C)C)cc1	862683015	ONLQCPPEYQZJLN-MJGOQNOKSA-N	369.465	2.278	10	10	FECE	
CCOC1CC(O)(CNCc2c(C(=O)OC)n(C)c3ccc(F)cc23)C1	894571960	BFHPGHZATNSEDT-UHFFFAOYSA-N	364.417	2.124	10	10	FECE	
CCN1CCN(CCCNC(=O)c2cc3cc(O)c(O)cc3s2)CC1	895714544	FHISNWFMGDKGKZ-UHFFFAOYSA-N	363.483	2.070	10	10	FECE	
Cc1c(NC(=O)Cc2ccc(O)c(O)c2)c(=O)n(-c2ccccc2)n1C	1135601827	QUQUKTUUNVZGAD-UHFFFAOYSA-N	353.378	2.077	10	10	FECE	
CC(=O)c1cn(C2CN(Cc3cc(Br)cc(C)c3O)C2)nn1	897939155	RSWNXYYNLXNXTE-UHFFFAOYSA-N	365.231	2.314	10	10	FECE	
Cn1cc(NC(=O)NCc2cc(Br)ccc2O)ccc1=O	796640484	OFBVKVNEQPLBAT-UHFFFAOYSA-N	352.188	2.175	10	10	FECE	
CCOC(=O)c1c[nH]nc1[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	1149326314	OQYJOWWROOVFGD-BPJJOFIESA-N	371.393	2.027	10	10	FECE	
O=C(NCc1c(O)cccc1F)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1	1156170084	GBEAMPVLYFTUNT-JTQLQIEISA-N	364.323	2.479	10	10	FECE	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1c(O)cccc1O	1156886334	YXXUYNYGTXGYAI-OAHLLOKOSA-N	358.394	2.071	10	10	FECE	
C[C@H](N=c1nc(CNC(=O)OC(C)(C)C)[nH][nH]1)c1ccc(N(C)C)cc1	2126785221	IVHVDNDYKWCWRJ-LBPRGKRZSA-N	360.462	2.490	10	10	FECE	
C[C@@H](NC(=O)C(=O)NC[C@H]1CCCC(C)(C)O1)c1ccc(N(C)C)cc1	1332983485	XZGBSPFCCDDHLT-RHSMWYFYSA-N	361.486	2.394	10	10	FECE	
COc1ccc(O)c([C@@H](C)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1	2133180138	WUGHDTMACRRESK-PVUWLOKVSA-N	366.458	2.422	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1[C@H]2CC[C@H]1CC(F)(F)C2	1351441687	JYJPCSGGTHTBBQ-HOTGVXAUSA-N	365.424	2.500	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H](CO)c2ncc[nH]2)cc1	1456386681	VCXBRASGXVAKNG-GOSISDBHSA-N	366.421	2.022	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N2CCN(C)C(=O)[C@H]2C)CCCC1	1459264250	MJILPQJUFWBDPP-CQSZACIVSA-N	369.465	2.218	10	10	FECE	
COC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)/C=C\c1cccnc1C	1544609433	LXZCQBBIVXGHNX-VURMDHGXSA-N	351.362	2.175	10	10	FECE	
CC[C@@H]1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@H]1C	1617360218	LYKIXLPAQVPDPS-DOTOQJQBSA-N	363.477	2.399	10	10	FECE	
CCN1CCN(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)[C@@H](C)C1	1478859812	IDOUHGICXFJEOA-IRXDYDNUSA-N	360.502	2.257	10	10	FECE	
COc1ccc(CNC(=O)N[C@@H](C)c2nc(C(F)(F)F)no2)c(O)c1	1565487880	SKUFHQUVUOBTEP-ZETCQYMHSA-N	360.292	2.363	10	10	FECE	
O=C(CCCOc1ccc2c(c1)CCC(=O)N2)NCc1c(O)cccc1O	1635843249	JNSJFWQUZOUIKR-UHFFFAOYSA-N	370.405	2.458	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)c3cnc4c[nH]nc4c3)C2)cc1	1643347407	YXLITHLMNHTQOP-ZDUSSCGKSA-N	351.410	2.223	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2C(=O)NCC2(C)C)CCCC1	1640899845	JPWCNPHPYIZULN-LJQANCHMSA-N	369.465	2.170	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3cc(F)c(F)cc3N)cc2)CC1	1589179955	SWZCKTRRHBCQCZ-UHFFFAOYSA-N	360.408	2.229	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c(C)nnc1N1CCC[C@@H](CC(N)=O)C1	1761697324	CLPXKGSOKDXYGY-INIZCTEOSA-N	370.501	2.101	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H]2CCOC2)c1O	2139763658	IJCOERAKFYLNRG-GJZGRUSLSA-N	364.442	2.247	10	10	FECE	
COCC(C)(C)NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	154865951	LWIFHYHHVXVYAT-UHFFFAOYSA-N	366.417	2.415	10	10	FECE	
CCOC(=O)c1c(NC(=O)Cc2ccc(N)cc2)sc(C(N)=O)c1C	1865956691	FKBFTFMJYSCDCK-UHFFFAOYSA-N	361.423	2.096	10	10	FECE	
CCNCc1ccc(N2CCS(=O)(=O)C[C@H]2C)c(Br)c1	233533161	BWPXOZJPYCXMNX-LLVKDONJSA-N	361.305	2.182	10	10	FECE	
Cc1cc(NS(=O)(=O)c2cc(CO)oc2Br)ccc1O	2157772255	HJLUSJALBWZRHW-UHFFFAOYSA-N	362.201	2.349	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060634176	WOOCIJDLODDCFY-AGIUHOORSA-N	353.423	2.170	10	10	FECE	
COC[C@]1(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)CCN(C(=O)OC(C)(C)C)C1	2060609881	ARJKQCSNTLJMGH-WBMJQRKESA-N	353.423	2.171	10	10	FECE	
C[C@H](NC(=O)[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O	2072479916	ONDOGZCGDHEMHD-IACUBPJLSA-N	350.415	2.109	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2073943300	KRKGLQMMDBWFKU-AGIUHOORSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1CCCN1C(=O)c1ccn(-c2ccc(N)cc2)n1	2106693365	AETLFHWFBGUUFC-UHFFFAOYSA-N	357.414	2.453	10	10	FECE	
COc1cccc(C=C2SC(=S)N(CCN(C)C)C2=O)c1OC	2323839464	ROLXNDWSEMXNFS-UHFFFAOYSA-N	352.481	2.467	10	10	FECE	
Nc1ccc(OCCS(=O)(=O)Nc2ccc(Br)cn2)cc1	70490550	BJQQXSFPWPZEPK-UHFFFAOYSA-N	372.244	2.247	10	10	FECE	
Cc1cc(C)n([C@@H](C)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1	138991989	YORRHDOGTQGCDL-HNNXBMFYSA-N	360.433	2.353	10	10	FECE	
CO[C@@H](c1ccc(O)c(O)c1)[C@@H](NC(=O)OCc1ccccc1)C(=O)O	1952305901	FSFZFMLTOQGLCG-CVEARBPZSA-N	361.350	2.165	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)OCCNC2	528710629	KQHGSVLRRYSSRF-GFCCVEGCSA-N	357.410	2.333	10	10	FECE	
Cc1ccc(CN[C@H](C)[C@@H]2CCS(=O)(=O)C2)c(O)c1Br	2381129754	OQZJPSXQKHBHQG-ZYHUDNBSSA-N	362.289	2.376	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1	808546429	MJXNDGHVPBOCBF-AWEZNQCLSA-N	367.373	2.135	10	10	FECE	
Cc1ccc(C(=O)OCC(=O)N2CCC[C@@H](C(F)(F)F)C2)c(O)c1O	727004283	QYNCJKJFTKYIQQ-SNVBAGLBSA-N	361.316	2.364	10	10	FECE	
CC[C@@H]1Oc2ccc(C(=O)O)cc2N(OCCOc2ccc(N)cc2)C1=O	821299185	INAZPPOXIVUBJB-INIZCTEOSA-N	372.377	2.482	10	10	FECE	
C[C@@H]1C[C@H](NC/C=C/c2ccc(N(C)C)cc2)C(=O)N1c1cnn(C)c1	835041702	DHJCBFAAWIWCJF-BYPNVWOASA-N	353.470	2.283	10	10	FECE	
COc1cc(CNC/C=C\c2ccc(N(C)C)cc2)ccc1OCC(N)=O	835036667	NAIQLLPAVXXOLG-PLNGDYQASA-N	369.465	2.428	10	10	FECE	
COc1ccc(O)c(CNC(=O)[C@@H](C[C@@H]2COCCO2)C(F)(F)F)c1	830544099	LYCWQCHWPPUKQV-CHWSQXEVSA-N	363.332	2.001	10	10	FECE	
CC1(C)COC[C@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	836638237	FIRHJMOSNDMNJZ-GOSISDBHSA-N	361.486	2.120	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCN2CCSC[C@@H]12	925143015	PGTRJIFZWFOFEI-ROUUACIJSA-N	362.543	2.474	10	10	FECE	
COC(=O)c1cnc(N[C@@H]2CCN(c3ccc(OC)cc3)C2)c([N+](=O)[O-])c1	853759416	UEOOJXJXRHEYSJ-CYBMUJFWSA-N	372.381	2.476	10	10	FECE	
C[C@@H](COC(=O)c1csc(Cc2ccc(N)cc2)n1)CS(C)(=O)=O	751931329	NHQPPYPYAUOYMD-NSHDSACASA-N	368.480	2.154	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@]4(CCCN(C)C4)C3)C2)cc1	854297628	PHYOFVLVFDBELH-UWJYYQICSA-N	372.513	2.401	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cnc4n[nH]c(C)c4c3)C2)cc1	855233361	XNXLKZFAMVSFHO-CQSZACIVSA-N	351.410	2.284	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)OCc3ccncc3)C2)cc1	869229638	ZWFJBFDWZNDSCM-NVXWUHKLSA-N	355.438	2.390	10	10	FECE	
CN(C(=O)OC(C)(C)C)C1CC(C(=O)NCc2ccc(O)c(O)c2)C1	860243333	KNOSWMPPFIORCK-UHFFFAOYSA-N	350.415	2.360	10	10	FECE	
COC(=O)C1CC2(C1)CN(Cc1ccc(N3CCCC3)cc1)C[C@H]2C(=O)O	1119545365	NSTGOLXBHWICGO-JGCRXCKMSA-N	372.465	2.373	10	10	FECE	
CCOC(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)OCC	788648294	WIIAQIOEJMSTLB-UHFFFAOYSA-N	354.422	2.068	10	10	FECE	
COc1cc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1O	797820018	BTDODJNCOWKLAY-UHFFFAOYSA-N	362.407	2.431	10	10	FECE	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H]1[C@H]2COC[C@H]21	793063289	YHOWZOUCGGHTTC-FWYOQMDTSA-N	367.396	2.201	10	10	FECE	
CC(C)(C)c1ccc(C(=O)NCC(=O)NCc2cc(O)ccc2O)cc1	1153879360	LUXWAGWSCYSPKD-UHFFFAOYSA-N	356.422	2.442	10	10	FECE	
O[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC2(CCOCC2)C1	1338310721	SZDZWNRLURENCO-QGZVFWFLSA-N	364.461	2.026	10	10	FECE	
CN1CCN(c2ccc(CN3CC[C@](O)(C(F)(F)F)C3)cc2F)CC1	1339076033	AJNGOHYVCOQQJE-MRXNPFEDSA-N	361.383	2.077	10	10	FECE	
O=C(NCc1cccc(O)c1O)[C@@H]1CCCCN1C(=O)c1cccs1	1349080036	XEIQZLOYWVWTDJ-ZDUSSCGKSA-N	360.435	2.470	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)C(=O)Nc1c(F)cccc1F	1469249685	OTNHVFBELMHENO-UHFFFAOYSA-N	357.316	2.474	10	10	FECE	
CCONC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S	1539914544	WLKLXGGYQCFZPT-XFXZXTDPSA-N	354.428	2.485	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)NCCN3CC[C@@H](O)C3)c2C)c1	1479099970	QUWJPBAYJGGEGP-HXUWFJFHSA-N	370.497	2.268	10	10	FECE	
CCN(CC)c1ccc(Cn2c(C)nnc2N2CC(=O)N(C)C[C@@H]2C)cc1	1547442521	RBAMKEJUKVSZEW-HNNXBMFYSA-N	370.501	2.148	10	10	FECE	
COC(=O)[C@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)c2ccc(F)cc2O1	1628255029	KVDAAMYULDACKL-RJIDQJRZSA-N	373.336	2.217	10	10	FECE	
CN(Cc1ccccc1O)C(=O)c1nn(C)cc1I	1629954708	ABTMYFWLRZNEIK-UHFFFAOYSA-N	371.178	2.003	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ncc(Cl)cn3)CC2)cc1F	1630202203	OXULHDLLDVRZHZ-UHFFFAOYSA-N	350.781	2.240	10	10	FECE	
CC[C@@H]1CN(CC)CCN1C(=O)NCc1ccc(N2CCN(C)CC2)cc1	1565272818	CIGJMIPQZNLNJM-LJQANCHMSA-N	373.545	2.064	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCc1cccc(Br)c1O	1635839830	MMYFKZWZCUHICN-UHFFFAOYSA-N	352.184	2.425	10	10	FECE	
COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)N[C@H](C)c1ccccc1O	1685653888	IOCHTLQULCRTIS-DGCLKSJQSA-N	358.398	2.271	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CN1CCN2CCOC[C@@H]2C1	1141367482	BTCCCNKZKCROKP-LBPRGKRZSA-N	361.667	2.325	10	10	FECE	
COc1ccc(Br)c(CN[C@@H](C)[C@@H](CO)SC)c1O	1964050017	XTWNNBUMEHOTFM-QPUJVOFHSA-N	350.278	2.365	10	10	FECE	
CC(C)(C)OC(=O)N1CCCC12CC(C(=O)C(=O)C[C@H]1C[C@H](N)C1)C2	2049781661	XKZZSLNVIITRRE-ZKFUKYGUSA-N	350.459	2.432	10	10	FECE	
CC(C)CNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2059511968	BKWXAYDJEIULAZ-ZDUSSCGKSA-N	352.431	2.306	10	10	FECE	
C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2060639188	FKJILXUTCJBDAC-AVGNSLFASA-N	355.439	2.200	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](C)(CNC(=O)COc2ccc(N)cc2)C1	2106267669	CNRANPBKBUWNLS-IBGZPJMESA-N	363.458	2.411	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CCN2CCC(=O)Nc2ccc(N)cc2)C1	2106750128	ICPNOPYOEXKZMO-UHFFFAOYSA-N	360.458	2.293	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@H]2C[C@@]2(NC(=O)OC(C)(C)C)C1	2271769824	KQUOBGDOHIBWIC-XEKQOVJPSA-N	360.458	2.195	10	10	FECE	
COc1cc(C=C2C(=O)NN=C2C)ccc1OCC(=O)Nc1nccs1	2314489577	RSXSARIAKYXMSU-UHFFFAOYSA-N	372.406	2.058	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)CC2)cc1	172609320	MJMKTZMWQAKEGP-KSZLIROESA-N	359.470	2.340	10	10	FECE	
CN(C)C[C@H]1CCN(C(=O)c2cccc3c2C(=O)c2ccccc2C3=O)C1	180863517	YUIUDTMQOWKREH-CQSZACIVSA-N	362.429	2.486	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2C[C@@H](CO)[C@H](c3ccsc3)C2)cc1	188130586	JVDUWIFJWGLESL-HKUYNNGSSA-N	373.522	2.138	10	10	FECE	
C[C@@H](NC(=O)c1ccco1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	78345662	AJSPXEHKNHXQKJ-ZBFHGGJFSA-N	372.421	2.311	10	10	FECE	
CCN(CC)[C@H](C)CNC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	84891571	MWWPNSIIINWXIX-OAHLLOKOSA-N	366.481	2.396	10	10	FECE	
Cc1ccc(CN[C@H]2C[C@H](CS(C)(=O)=O)C2)c(O)c1Br	2380792734	LPVCLDYCRRMFCJ-UMSPYCQHSA-N	362.289	2.376	10	10	FECE	
Cc1nccc(CNC(=O)NCc2cc(Br)ccc2O)n1	804937534	CUXKSLHPRHTQEK-UHFFFAOYSA-N	351.204	2.253	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)CCOCC1CCC1	645571349	CJNNMKVCLIRKKY-UHFFFAOYSA-N	354.472	2.098	10	10	FECE	
O=C(O)[C@H]1[C@H](CNCc2cc(Br)cc(F)c2O)C1(F)F	715231977	WUUQUYFPOCBRJA-IONNQARKSA-N	354.122	2.349	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CNCc2ccc(CNC(C)=O)cc2)c1O	826827399	AHZGYYDHZSFOBQ-UHFFFAOYSA-N	359.382	2.235	10	10	FECE	
C[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@H](C)[C@@H](C)O1	823537039	KSCWJFVKFWCJCK-BZUAXINKSA-N	361.486	2.355	10	10	FECE	
CCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)N(C)C	586234802	XBWZIUMXSFAPAI-UHFFFAOYSA-N	358.419	2.095	10	10	FECE	
CC[S@@](=O)CCNC(=O)NCc1ccc(N2CCC(C)CC2)cc1	735098952	CFOYBZSUOZBANL-XMMPIXPASA-N	351.516	2.491	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H]4C[C@H]43)cc2)CC1	832794104	JGWFNXAPLJFLFM-MISYRCLQSA-N	355.482	2.408	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3ccc(F)cc3)C2)cc1	850536611	LVIBILMXQMECDY-OAHLLOKOSA-N	357.385	2.168	10	10	FECE	
CN1C[C@H](CCNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1=O	924730248	DDOAZRUINNEQFQ-MRXNPFEDSA-N	358.486	2.295	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN3C[C@@H](C)CC[C@H]3C)CC2)cc1	754049315	IPOFQBSJIJAGJH-NSHGMRRFSA-N	361.530	2.299	10	10	FECE	
CNS(=O)(=O)c1ccc(CCNCc2c(O)cccc2Cl)cc1	865819418	UCFAOFYAUXDCTP-UHFFFAOYSA-N	354.859	2.286	10	10	FECE	
COCCN1CCC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1	896210902	OYAXMVAUGGFWRB-LBPRGKRZSA-N	350.440	2.153	10	10	FECE	
CN1CCN(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1	1084434859	RSOVPOCHNUTPGP-JLHYYAGUSA-N	364.452	2.048	10	10	FECE	
C[C@@]1(c2cccc(C(=O)NCc3cccc(Cl)c3O)c2)NC(=O)NC1=O	1159033375	HKTMFCURIXVZSD-SFHVURJKSA-N	373.796	2.030	10	10	FECE	
NC(=O)c1ccc(SCC(=O)N2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1	1302786053	DVIZFHNDKZXSQM-UHFFFAOYSA-N	373.390	2.034	10	10	FECE	
COc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c(N)c1F	1167761817	AWRIYFJSSDQPSE-UHFFFAOYSA-N	373.428	2.308	10	10	FECE	
C[C@@H](NC(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@@H]1CN(C)CCN1C	1313427182	XMSPCPJFZHWJEO-XLIONFOSSA-N	373.545	2.063	10	10	FECE	
O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCc1cc(O)ccc1O	1176748658	YTYWUJFQQMFRKE-UHFFFAOYSA-N	369.333	2.249	10	10	FECE	
COC(=O)N(C)CCN(C)Cc1c(O)ccc(C(=O)c2ccccc2)c1O	1327703434	RRALLDQUCUYVAQ-UHFFFAOYSA-N	372.421	2.459	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)N3C[C@H](CO)[C@@H](CCO)C3)c2C)c1	1520918112	SQCIFJKGRNMDQI-ZWKOTPCHSA-N	356.466	2.465	10	10	FECE	
CC(C)(C)NC(=O)N1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1	1616783872	NMJVQDIQQBWTKC-UHFFFAOYSA-N	360.418	2.115	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](CO)[C@H](N(C)C)C2)cc1	1614603839	PBYUYVDKLCMBQL-AZUAARDMSA-N	355.482	2.479	10	10	FECE	
CC[C@@H](COCC1CC1)NC(=O)NCc1ccc(N2CCN(C)CC2)cc1	1478961313	WTIRZJLRQGRPQN-IBGZPJMESA-N	374.529	2.443	10	10	FECE	
CN(Cc1ccccc1O)C(=O)c1nc(S(C)(=O)=O)ccc1Cl	1545502813	BJZZDZYZWUGRGF-UHFFFAOYSA-N	354.815	2.116	10	10	FECE	
CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2c(O)cccc2F)c1	1645047943	DXUBOBSASQTHIE-UHFFFAOYSA-N	355.362	2.394	10	10	FECE	
Cc1cccc(CNC(=O)[C@]2(N(C)C(=O)OC(C)(C)C)CCOC2)c1O	2139741987	RQQSSFCCSCAWFJ-IBGZPJMESA-N	364.442	2.343	10	10	FECE	
CC1(C)[C@H](CNCc2c(O)cccc2Br)CCS1(=O)=O	1966053449	QIQIUUDJWOXHTG-JTQLQIEISA-N	362.289	2.458	10	10	FECE	
O=C(OCc1ccccc1)N1CCO[C@H](CNCc2ccc(O)c(O)c2)C1	310053072	MHSUIBUMZLGEIX-QGZVFWFLSA-N	372.421	2.225	10	10	FECE	
COC(=O)c1nn(Cc2cccc(F)c2O)c(C(F)(F)F)c1[N+](=O)[O-]	2079218888	TWQAEDFBEUFOIF-UHFFFAOYSA-N	363.223	2.490	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060615715	RLHOJHVCCUGDRP-XQQFMLRXSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1CC(N(Cc2cc(N)ccc2O)[C@@H]2CCOC2)C1	2106748891	XCALHNNZMNGBGW-OAHLLOKOSA-N	363.458	2.185	10	10	FECE	
CN(C)CCN(CC(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-])C(=O)OC(C)(C)C	2218737482	HYRAFDWNGMMABP-QWHCGFSZSA-N	354.455	2.133	10	10	FECE	
CN(CC1CC(S(C)(=O)=O)C1)c1ccc(CN)cc1Br	2285297531	YVIIOYYWMRHKLK-UHFFFAOYSA-N	361.305	2.167	10	10	FECE	
COC(=O)[C@@H](C)N1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S	2297465445	GEDDPWJDANKOLE-MRVPVSSYSA-N	352.393	2.358	10	10	FECE	
O=C1NC(=S)SC1=Cc1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1	2297504674	GNTYHOAPSXKMBV-UHFFFAOYSA-N	356.384	2.319	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](C(=O)N3CC[C@@H](N=[N+]=[N-])C3)O[C@H]2C1	2334849979	LTOOVMKQOXDPQU-CRWXNKLISA-N	365.434	2.312	10	10	FECE	
CSC1(C(=O)O)CN(Cc2cc(Br)cc(F)c2O)C1	2336996292	MBNKTKOQUNHVDY-UHFFFAOYSA-N	350.209	2.296	10	10	FECE	
CC(C)(C)OC(=O)N1CC(OCCCNC(=O)Nc2ccc(N)cc2)C1	2337169249	GMMBDLDIOYMTKP-UHFFFAOYSA-N	364.446	2.416	10	10	FECE	
COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)c1ccc(-n2c(C)ccc2C)cc1	111147205	AMYZWRRELVIXHI-QZTJIDSGSA-N	356.422	2.497	10	10	FECE	
CN(CCS(C)(=O)=O)c1ccc(/C=C/C(=O)O)c(Br)c1	234305016	MVDKDMFOYSWPSN-GQCTYLIASA-N	362.245	2.028	10	10	FECE	
O=S(=O)(N(Cc1ccccc1O)C[C@@H]1CCCO1)N1C[C@H]2CC[C@H]1C2	246087099	IRJJZBVKMPQHJT-XIRDDKMYSA-N	366.483	2.102	10	10	FECE	
CC[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CCN1C[C@H](C)O	245785110	VCWIZOIQUVYJIY-SMDDNHRTSA-N	357.838	2.231	10	10	FECE	
Cc1cc(C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c(C)n1-c1ccccn1	246801959	RGPHBFODYNAFQB-HOTGVXAUSA-N	356.470	2.016	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N2CCCN(C)c3ccc(F)cc32)c1	255172705	WEIVDTRJHODYNA-DAXSKMNVSA-N	368.412	2.467	10	10	FECE	
COCCOC[C@@H]1CCN(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)C1	255503730	TZVUYSCQLJRJED-BQHGXPCASA-N	374.481	2.048	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)NC3(CC(N)=O)CCC3)ccc21	443792709	UPXSOUAPGNBYGI-UHFFFAOYSA-N	357.454	2.432	10	10	FECE	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CN1CC(=O)NC1=O	272259298	QFKZSNZIQIUCMX-AWEZNQCLSA-N	367.405	2.034	10	10	FECE	
COCc1nc([C@@H]2COCCN2Cc2c(O)ccc(Cl)c2F)no1	370622086	KQNDIKRLCXBRBA-NSHDSACASA-N	357.769	2.288	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(Cn2cc(C)cn2)on1	808094344	KZMYAAUAGVLFQH-UHFFFAOYSA-N	361.398	2.349	10	10	FECE	
C[C@@]1(C[C@H]2CCCN2Cc2cc(Cl)c(F)cc2O)NC(=O)NC1=O	294500744	BNGSIWHBLNFSOD-HWPZZCPQSA-N	355.797	2.137	10	10	FECE	
CC(C)NC(=O)[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	827686569	BZUSYXNOZGMYMK-KRWDZBQOSA-N	363.477	2.399	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@@H](OC)C3CCC3)cc2F)CC1	826719213	HMRYKNGUVWCZTR-IBGZPJMESA-N	363.477	2.399	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)[C@]2(C(=O)OC(C)(C)C)CCCO2)c1	901127997	SNYWVFDMOCEJQY-BLVKFPJESA-N	365.426	2.469	10	10	FECE	
CCC/C=C\[C@@H](O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	900902379	VBWMMXWKNNHMME-PYTPGESOSA-N	350.434	2.120	10	10	FECE	
CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1	730077918	JBWLAVHTGOBKAB-WBMJQRKESA-N	367.490	2.456	10	10	FECE	
CCN(CC)C(=O)CN1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1	835026681	ZQDDAKKKDSMMJH-BQYQJAHWSA-N	358.530	2.252	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNCc3cc4n(n3)CCCC4)cc2)C1	848529336	SJPCIIKKVKJRFA-KRWDZBQOSA-N	367.497	2.211	10	10	FECE	
COc1cc(Br)cc([C@H](C)NC[C@@H](C)S(C)(=O)=O)c1O	848535206	BMCDMGPMYQQERV-BDAKNGLRSA-N	366.277	2.247	10	10	FECE	
COc1ccc(N2CC[C@H](N[C@H](c3cccnc3)c3nc[nH]n3)C2)cc1	850485739	BHOGJYIIALOBHT-MAUKXSAKSA-N	350.426	2.166	10	10	FECE	
CN(C)C(=O)c1cccc(NS(=O)(=O)c2cc(F)cc(F)c2O)c1	753022457	WPRLXIQWMBEHNM-UHFFFAOYSA-N	356.350	2.173	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3ccccc3C)C2)cc1	850536687	MIDCIUXUQWQHOU-OAHLLOKOSA-N	353.422	2.337	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3C[C@H]4CC[C@H]3[C@H](CO)C4)C2)cc1	852450382	LASBWJFRXALUQY-GGXPGOJBSA-N	359.470	2.076	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCO[C@H]([C@@H](C)O)C1	862004565	ONEVCMHSWPJQSJ-BEFAXECRSA-N	356.422	2.128	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN3CCCC34CCC4)CC2)cc1	769982883	CAFOFJAHCMHLBI-IBGZPJMESA-N	359.514	2.197	10	10	FECE	
COc1ccc(O)c(CNC(=O)c2nnn(C3CC3)c2C(F)(F)F)c1	769540759	IXCODXOCASONTI-UHFFFAOYSA-N	356.304	2.276	10	10	FECE	
Cc1ccc(C(=O)NCC(=O)N2CCCO2)cc1-n1c(C)cc(C=O)c1C	1118877046	YVDTVSIGRYVDIO-UHFFFAOYSA-N	369.421	2.109	10	10	FECE	
CCC1(CC)CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CCS1(=O)=O	777843307	QJQGNZIGPFHSHY-UHFFFAOYSA-N	372.443	2.406	10	10	FECE	
CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cc(Cl)cc([N+](=O)[O-])c1O	776013898	OQSRNVQJUUWKQI-STQMWFEESA-N	372.805	2.496	10	10	FECE	
O=C(O)[C@@H]1OCC[C@H]1CNCc1cc(Cl)cc(Br)c1O	708107213	YUGCPEVNCBFWCI-JVXZTZIISA-N	364.623	2.387	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)CC(C)(C)CC(=O)OC	1162539546	GETDTRZYQHQFLZ-UHFFFAOYSA-N	365.426	2.263	10	10	FECE	
C[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@@H](c2ccccc2)O1	1329788902	XGSWNTOHSCCSNO-LIRRHRJNSA-N	366.417	2.223	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C1	2124507896	CYKLAMAJLIIURR-ZIAGYGMSSA-N	366.466	2.277	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(CCCc2ccc(N)cc2)C1	2123036497	CNKPFBCNRJJWPJ-LJQANCHMSA-N	363.458	2.255	10	10	FECE	
C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1	2132399567	GRNBIPXWKXSQCG-JQWIXIFHSA-N	366.414	2.179	10	10	FECE	
CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCSc1nccs1	1515348582	AJCOTKYBHUQALY-NSHDSACASA-N	366.516	2.324	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1cc(OC)c(O)c(OC)c1	1297562291	FUGKPLXZCRXIIF-UHFFFAOYSA-N	366.410	2.460	10	10	FECE	
CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(N=NC(N)=O)cc1	1469308910	GJTOLGOKJWXDGY-INIZCTEOSA-N	365.393	2.162	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)[C@@H](F)C1	1558870327	VVOFGRZERYEZIT-QWHCGFSZSA-N	368.405	2.104	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1	1556331234	XPJIUGLVHCDWOO-AWEZNQCLSA-N	359.430	2.033	10	10	FECE	
O=C(CCCNC(=O)OCc1ccccc1)NCc1c(O)cccc1O	1647269701	JSNPAPTVQYGPRS-UHFFFAOYSA-N	358.394	2.421	10	10	FECE	
COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1OC	12338916	KOHWFRDFDKIHAQ-GXDHUFHOSA-N	358.394	2.498	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN3CCC(C)CC3)CC2)cc1F	151359526	LNJHFUVTJWPUIN-SFHVURJKSA-N	365.493	2.049	10	10	FECE	
Cc1cc(/C=C/C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c(C)n1-c1ccccc1	152592576	FTWCOYVVXMEDFU-PBKBVCMISA-N	367.449	2.256	10	10	FECE	
Cc1nc(NC(=O)c2cc(O)c(O)c(O)c2)sc1C(=O)OC(C)C	1865876482	NGJSIDHTKJTQMD-UHFFFAOYSA-N	352.368	2.386	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C[C@H](O)C1(C)C	1879108107	ZDYCSNGSEMHDQL-PEBVRCNWSA-N	367.450	2.200	10	10	FECE	
COC(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1O	1969154829	RXXZWBLWWRAFNF-AWEZNQCLSA-N	352.431	2.327	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2060613687	UIZHXPYWSLPXJZ-RWMBFGLXSA-N	353.423	2.048	10	10	FECE	
CC[C@](COC)(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2060639464	IEXAXFYOLSUKET-BLLLJJGKSA-N	355.439	2.465	10	10	FECE	
CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1	2060633149	KGCRLOOZBGGFPQ-MQIPJXDCSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COC[C@H]1CC(=O)N1CCC(N=[N+]=[N-])CC1	2067685957	QAGFGFNVPVIXKE-YPMHNXCESA-N	353.423	2.218	10	10	FECE	
C[C@H]1CN(CC(=O)Nc2ccc(N)cc2)C[C@@H]1CNC(=O)OC(C)(C)C	2106677774	KEOGXWTXXSDBDY-KBPBESRZSA-N	362.474	2.300	10	10	FECE	
O=C1NC(=S)N(c2ccccc2F)C(=O)C1=CNCc1cccs1	2297357797	IUHNTOVQQVNMOG-UHFFFAOYSA-N	361.423	2.309	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@@]1(C(=O)C(=O)C[C@H]1C[C@H](N)C1)C2	2309419255	IDNNPANBOMPPCA-IQRSNYFFSA-N	350.459	2.336	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@]2(C(=O)NCCCCN=[N+]=[N-])CO[C@H]1C2	2312794965	ROMFUPLGNBIZTM-MQIPJXDCSA-N	353.423	2.265	10	10	FECE	
COc1ccc(O)c(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)c1	179359846	JRCYZVPXYVLILU-VQIMIIECSA-N	372.396	2.376	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c([N+](=O)[O-])c1	301874946	GKOKIUNALNFEMO-VKGGURKZSA-N	373.409	2.276	10	10	FECE	
CO[C@@H]([C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C(C)(C)O	1951994191	UNEMRXUDKFDXQF-DOMZBBRYSA-N	355.431	2.320	10	10	FECE	
CCN(CC)c1ncc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cn1	243122293	JIHPUWBWBMJCDL-UHFFFAOYSA-N	369.469	2.294	10	10	FECE	
Cc1nn(C)c(Cl)c1/C=C\C(=O)N(C)c1ccccc1S(C)(=O)=O	255354804	NSVLNQNKYLMNGL-KTKRTIGZSA-N	367.858	2.462	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@@H]1CCNC(=O)C1	1952346499	MOJLBPMVNCBMCI-OLZOCXBDSA-N	350.415	2.060	10	10	FECE	
C[C@@H]1C[C@@H](S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCO1	295439735	DNMVCAIUQYMGDZ-OIISXLGYSA-N	369.483	2.271	10	10	FECE	
O=C(c1cc2c(cn1)OCCO2)N(Cc1ccccc1O)C[C@H]1CCCO1	819420247	SOWDNBRZWLVRGV-OAHLLOKOSA-N	370.405	2.380	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)NCCCC3CC3)CC2)cc1	736378737	BXOBICTVSHOSHN-UHFFFAOYSA-N	360.502	2.307	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCN(C(=O)C2CCCCC2)C1	588407430	FUTAIYPYZHWQGJ-GQSKFBFOSA-N	358.438	2.408	10	10	FECE	
CCN(OC)C(=O)CNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC	844069403	HLAXXEQWUGSXFA-UHFFFAOYSA-N	361.442	2.044	10	10	FECE	
CC(C)(C)OC(=O)NCc1nocc1C(=O)NCc1ccc(O)c(O)c1	847591356	UCXVMGZEKZPPKS-UHFFFAOYSA-N	363.370	2.041	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1	927121260	NEWJQXKJIYDING-QJUZWUIZSA-N	362.426	2.483	10	10	FECE	
Cc1cc(CC(=O)OCC(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccccc1	853933506	FLXQESVWCRPNSO-IBGZPJMESA-N	370.449	2.475	10	10	FECE	
Cc1cc(Br)cc([C@@H](C)NC[C@@]2(OCCO)CCOC2)c1O	850510987	ZANMREMSZGYFLB-WBMJQRKESA-N	374.275	2.282	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H](OC)c3ccc(O)cc3)C2)cc1	855228028	UEACXFCBXQJSCD-DNVCBOLYSA-N	356.422	2.483	10	10	FECE	
COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	855230239	DNLGALSZIMGUGH-OAGGEKHMSA-N	360.454	2.370	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](O)c3ccccc3F)C2)cc1	852451704	AXGLAACKLFYTMX-AUUYWEPGSA-N	373.428	2.446	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@]1(CCO)CCOC1	860108605	FFRKTTKTNWLKNX-NRFANRHFSA-N	370.449	2.426	10	10	FECE	
CO[C@@H]1CN2C(=O)N([C@H](C)c3ccc(N4CCOCC4)cc3)C(=O)[C@@]2(C)C1	865301814	PNDMUGVEGFNZAT-CFLQYTFWSA-N	373.453	2.026	10	10	FECE	
CCN(CCO)CCNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C	769497425	XYTDLLKOMJVDEF-UHFFFAOYSA-N	372.513	2.250	10	10	FECE	
Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1	775285986	IEUYVIHXTMERLL-UHFFFAOYSA-N	354.388	2.495	10	10	FECE	
COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc(N2CCOCC2)c(F)c1	786578838	NHHSMCPGSSYZCL-MDZRGWNJSA-N	362.445	2.436	10	10	FECE	
Cc1ccc(NC(=O)NCc2ccccc2O)cc1C(=O)N1CCOCC1	786109236	DRGCISKJYUUVNI-UHFFFAOYSA-N	369.421	2.495	10	10	FECE	
COC(=O)c1cc(CNCc2ccc(N3CCN(C)CC3)cc2)c(C)o1	895606824	GKGHOAYZMKRCNO-UHFFFAOYSA-N	357.454	2.416	10	10	FECE	
O=C(CC[C@H]1CC[C@@H](C2OCCO2)O1)NCCCSc1nccs1	896334381	MMPONKGLNUIXQU-OLZOCXBDSA-N	372.512	2.442	10	10	FECE	
COC(=O)[C@@H]1[C@H](CNC[C@@H]2CCN(c3ccc(OC)cc3)C2)C1(F)F	895051972	UNITYXCHLIYCEB-RCBQFDQVSA-N	354.397	2.165	10	10	FECE	
Cc1ccc2nc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)cn2c1	1132903360	ZWZTXJDJDYJPQU-UHFFFAOYSA-N	363.465	2.325	10	10	FECE	
C[C@@H](O)C[C@@H](C)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	783257659	WPJNTZKCINCKON-IAGOWNOFSA-N	374.529	2.177	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1	1137520359	DCJPHMVZJOQSNA-IAGOWNOFSA-N	373.457	2.347	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@H](C(=O)O)N1Cc1ccccc1	688953989	JIXSWVYGYKFCIT-QZTJIDSGSA-N	368.433	2.468	10	10	FECE	
CN(C)C(=O)[C@@H]1CCCN1CCCNCc1c(O)ccc(Cl)c1F	790954938	GDWVBGBJSLPJFN-AWEZNQCLSA-N	357.857	2.217	10	10	FECE	
Cc1cc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cs1	795367652	QHNVHZBKBXJKNG-UHFFFAOYSA-N	364.492	2.221	10	10	FECE	
Cc1cc(C)cc(N2CC[C@@H](C(=O)NCc3c(O)cccc3O)C2=O)c1	1304050421	MMQRNDIWYWOROF-HNNXBMFYSA-N	354.406	2.384	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Nc2ccc(N)cc2)[C@H](CO)C1	2116272669	DUXRPTXCNYBOQV-SWLSCSKDSA-N	364.446	2.008	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NC[C@]1(C)CC1(F)F	1261718584	LTWMWSLHLYYSBP-ACJLOTCBSA-N	367.440	2.270	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)c1ccc(S(C)(=O)=O)cc1N	1445656143	PMQMYDPXIGYPOL-UHFFFAOYSA-N	362.451	2.430	10	10	FECE	
COC(=O)c1nc(C(=O)NCc2cccc(Br)c2O)cs1	1297440811	QVTCASSTLJATAC-UHFFFAOYSA-N	371.212	2.328	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H](c2nnc3ccccn23)C1	1465213313	OXEAWNSWHMHPKX-CQSZACIVSA-N	352.394	2.089	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)C(=O)c2ccc(F)cc2)N(C)C)cc1	1463285674	VKXZRQLGCQJZEX-GOSISDBHSA-N	357.429	2.494	10	10	FECE	
CC1=NNC(=O)[C@@H]1CCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C	1464893166	XPQDKHIMVPTWKO-GOSISDBHSA-N	352.438	2.265	10	10	FECE	
Cc1nnc(N(C)C[C@H]2CCOC2)n1Cc1ccc2c(c1)CCCN2C	1707863315	CQOKRWSLGJLQPO-QGZVFWFLSA-N	355.486	2.490	10	10	FECE	
Nc1ccc(NC(=O)C[S@@](=O)c2cncc(Br)c2)cc1	1921682791	CWODUJYPZLYGDB-HXUWFJFHSA-N	354.229	2.173	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)c3ccc4ncn(C)c4n3)C2)cc1	1627162496	BYGUKDUALKHOFI-AWEZNQCLSA-N	365.437	2.233	10	10	FECE	
CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)c1cc2cc(O)c(O)cc2s1	1556576746	ZNQIQDSGOBJGKS-BMIGLBTASA-N	353.440	2.200	10	10	FECE	
CC(=O)N1C[C@H]2[C@@H](NC(=O)c3ccc(N=NC(N)=O)cc3)CCC[C@H]2C1	1556883030	IBUSQONNMBSTKR-IMJJTQAJSA-N	357.414	2.226	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](n2cncn2)C(F)(F)F)c1	1637637983	BZXFJNTXUAKLCR-TVQRCGJNSA-N	373.335	2.156	10	10	FECE	
CCOC(=O)c1cc(CNC(=O)N[C@H](C)c2cc(OC)ccc2O)on1	1565237681	PHTQJSFAQYMSRC-SNVBAGLBSA-N	363.370	2.126	10	10	FECE	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2nc(CO)n[nH]2)c1	1633510632	LDIVXUIXVJONIG-UHFFFAOYSA-N	359.817	2.288	10	10	FECE	
O=C(N[C@H]1CN(c2ccccc2)C1=O)c1cc2cc(O)c(O)cc2s1	1632747567	OIMINTCYGJZCFG-LBPRGKRZSA-N	354.387	2.458	10	10	FECE	
COC(=O)[C@@](C)(NC(=O)c1ccc(C)c(O)c1O)c1cccc([N+](=O)[O-])c1	1586786588	WUEPFWOOVVHIQB-SFHVURJKSA-N	374.349	2.133	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)c2nnc3n2CCCC3)c1	153522429	QJTYGYVTAOZHGG-RYUDHWBXSA-N	359.430	2.450	10	10	FECE	
CCOc1cccc(CNCC(=O)Nc2cccc(C(=O)OC)c2)c1O	1860718275	IVXFLUWYUOOXSV-UHFFFAOYSA-N	358.394	2.306	10	10	FECE	
O=C(CNCc1cc(Cl)ccc1O)NCCc1nc2ccccc2[nH]1	1860720930	CASKMXZLFXICSA-UHFFFAOYSA-N	358.829	2.370	10	10	FECE	
CN(C)c1cccc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)c1	1865943776	UNVIDGQWYWLTRS-UHFFFAOYSA-N	373.434	2.071	10	10	FECE	
C[C@H](NC(=O)[C@@]1(C)COC[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O	1877566782	CSDXUHAHXXIRJR-ODYMNIRHSA-N	364.442	2.499	10	10	FECE	
COc1cccc(CNC[C@@H]2CO[C@@H](CNC(=O)OC(C)(C)C)C2)c1O	1967888705	KMTUZNYMDATIJC-UKRRQHHQSA-N	366.458	2.420	10	10	FECE	
Nc1ccc(OCCS(=O)(=O)Nc2cnn(Cc3ccccc3)c2)cc1	386826388	ATODGXTZDFLJQO-UHFFFAOYSA-N	372.450	2.334	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC(CN=[N+]=[N-])CC2)CCOC1	2060640069	PEKRRWUBNOMUFL-MRXNPFEDSA-N	353.423	2.219	10	10	FECE	
C[C@H](NC(=O)COC[C@@H](C)NC(=O)OC(C)(C)C)c1ccccc1O	2072470855	JEBDSINBRIJJNO-OLZOCXBDSA-N	352.431	2.499	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)[C@H](CNCc2ccc3c(c2)CCO3)C1	2098262026	XKGNFTOWEVMJOZ-QGZVFWFLSA-N	361.486	2.262	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H](F)C[C@@H](O)C3)ccc(N)c2C1	2226289059	XCJKWSLXXQTVID-QWHCGFSZSA-N	365.449	2.471	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CO)C2)c(OC)c1	2226805630	PBFCSDIXBFVXJN-UKRRQHHQSA-N	366.458	2.416	10	10	FECE	
C[C@@H]1OC2(C(=O)N3CC[C@H](N=[N+]=[N-])C3)CC1(NC(=O)OC(C)(C)C)C2	2254817623	MYAUXFLWBCVCSK-YXEONTRPSA-N	351.407	2.112	10	10	FECE	
CN(C[C@]1(O)CCCN(Cc2cc(N)ccc2O)C1)C(=O)OC(C)(C)C	2270846821	FAQJUFGVSDRSTQ-LJQANCHMSA-N	365.474	2.168	10	10	FECE	
CN(C(=O)C=Cc1ccc(O)c(O)c1)[C@@H]1CCCN(c2cccnn2)C1	2308001475	MHMOQDURUIYSCL-OAHLLOKOSA-N	354.410	2.028	10	10	FECE	
CC(C)(C)OC(=O)N1CC(OCCNCc2ccc(F)c(F)c2O)C1	2315575162	RGOJOLIHKMRSKF-UHFFFAOYSA-N	358.385	2.396	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2cccc(O)c2O)C2(CC2)C1	2336346903	FJYSDGHTWAQHLS-LBPRGKRZSA-N	362.426	2.475	10	10	FECE	
COC[C@]1(C(=O)NCc2ccccc2O)C=CCN1C(=O)OC(C)(C)C	2336388380	BQAGGUCGEMJSEQ-IBGZPJMESA-N	362.426	2.201	10	10	FECE	
CCOC(=O)[C@@]12O[C@]1(c1ccc(OC)cc1)C(=O)c1ccccc1C2=O	59370381	QFGXRKONTYOFON-WOJBJXKFSA-N	352.342	2.302	10	10	FECE	
CN(C)c1ccc(CNC(=O)N[C@H]2CCCN(c3ncccn3)C2)cc1F	109453678	KAUVRKHOJNXYRE-HNNXBMFYSA-N	372.448	2.150	10	10	FECE	
C[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@H]1n1ccnc1	301679316	RZAZCWRSZXXSHG-XHDPSFHLSA-N	357.370	2.210	10	10	FECE	
Cc1oncc1C(=O)N1CCC(C(=O)NCc2ccc(N(C)C)cc2)CC1	32246943	IPPCYASVFRPDOQ-UHFFFAOYSA-N	370.453	2.218	10	10	FECE	
Cc1ccc2c(c1O)[C@H](CNC(=O)OCc1ccccc1)N[C@H](CO)C2	381052297	HLILIHJKHJJWQY-IRXDYDNUSA-N	356.422	2.175	10	10	FECE	
Cc1ccc(CN[C@H]2C[C@@H](CS(C)(=O)=O)C2)c(O)c1Br	2380792733	LPVCLDYCRRMFCJ-KLPPZKSPSA-N	362.289	2.376	10	10	FECE	
CCN(CCc1nccs1)C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	807672311	BHXWACUVDLYBHO-CQSZACIVSA-N	374.510	2.478	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)N3CCCC3(C)C)CC2)cc1	728396894	FHCHGXIHSPCEBX-UHFFFAOYSA-N	360.502	2.401	10	10	FECE	
C/C(=C\c1cccnc1)C(=O)N1CCCc2c(OCC(N)=O)cccc21	847073610	FXKQKWNPXHGBKY-SDNWHVSQSA-N	351.406	2.328	10	10	FECE	
Nc1ccc(CCNC(=O)NCCc2csc(N3CCCC3)n2)cc1	841834551	JWYOUWXFMLFQTK-UHFFFAOYSA-N	359.499	2.410	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N3C[C@@H]4C[C@H]3C[S@@]4=O)cc2)CC1	844964721	JCLLYKKYNWCBCY-RPPIVITFSA-N	361.511	2.338	10	10	FECE	
C[C@@H](NCCN1CCC(N)CC1)c1ccc(N2CCOCC2)cc1Cl	925816603	ZQNHOFFWZKLBHA-OAHLLOKOSA-N	366.937	2.250	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1	927121259	NEWJQXKJIYDING-JDQXGDOCSA-N	362.426	2.483	10	10	FECE	
COc1ccc(N2CC[C@@H](Nc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1	853759262	QLAVZDOMQHYNMH-CYBMUJFWSA-N	356.382	2.393	10	10	FECE	
C[C@H](NC(=O)Cn1cnc2c1CCCC2)c1ccc(N2CCOCC2)cc1	757889315	HAVYTGKASHPKQY-INIZCTEOSA-N	368.481	2.476	10	10	FECE	
COC[C@@H](CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)OC	854293942	YUZOHRBPXYDFDX-DLBZAZTESA-N	366.458	2.134	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3cccc(N(C)C)n3)C2)cc1	852454237	OOATWHBYCNQQHI-MRXNPFEDSA-N	369.469	2.234	10	10	FECE	
COc1cnc(F)c(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1	861591174	LKFQNUMRODQJBM-UHFFFAOYSA-N	360.389	2.388	10	10	FECE	
O=C1N(Cc2ccc(N3CCOCC3)c(F)c2)C(=O)C23CCC(CC2)N13	865298036	BHVRCHTWBYEMLY-UHFFFAOYSA-N	359.401	2.122	10	10	FECE	
COC(=O)[C@@H](F)CNC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1	861953326	FKFJFPHJFXBFKS-INIZCTEOSA-N	360.385	2.456	10	10	FECE	
COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1	775289580	WVDSOMLTXUDTNF-UHFFFAOYSA-N	366.351	2.196	10	10	FECE	
COc1cc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n(C)n1	881253274	XWPUKDZMHSYDNV-CYBMUJFWSA-N	359.430	2.148	10	10	FECE	
CN(C(=O)c1c(F)ccc(O)c1O)[C@H]1CCN(c2ccccc2F)C1=O	789979379	FLXAPOCXQSRMDE-ZDUSSCGKSA-N	362.332	2.254	10	10	FECE	
Cc1ccc(CNC(=O)C(=O)NCc2ccc(N(C)C)cc2)c(Cl)n1	897361725	PTPKQZOEIQVGHC-UHFFFAOYSA-N	360.845	2.042	10	10	FECE	
COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccccc1O	881440645	JUFWAPPNVOGYMI-GXTWGEPZSA-N	352.431	2.499	10	10	FECE	
CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2124517293	JOIWFIWJBQEOGP-CHWSQXEVSA-N	367.450	2.465	10	10	FECE	
CCOc1ccccc1[C@@H](CC(=O)NCc1c(O)cccc1O)NC(C)=O	1178910097	AAIMNNGRMAZBHT-MRXNPFEDSA-N	372.421	2.380	10	10	FECE	
O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1	2132348436	LMRNBKBDEUTYSW-HOTGVXAUSA-N	354.406	2.007	10	10	FECE	
COc1ccc(CCC(=O)NCc2ccc(N3CCOCC3)cc2)cn1	1262114181	OGQJFICMNFXCIJ-UHFFFAOYSA-N	355.438	2.176	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2CC1C2	2136262673	WUHMLFXXHSURDN-RUXDESIVSA-N	362.426	2.154	10	10	FECE	
O=C(NCc1nnnn1-c1ccccc1)c1cc2cc(O)c(O)cc2s1	1442354786	UBIFUXNADOSBLE-UHFFFAOYSA-N	367.390	2.218	10	10	FECE	
CCO/C=C\[C@](O)(CNC(=O)c1ccc(N=NC(N)=O)cc1)C(F)(F)F	1298586287	SDYPFCGARSOWPB-NDEUBBJCSA-N	374.319	2.422	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N(C)C[C@H](O)COCc1ccccc1	1916365619	ZKTARROIEXJPGQ-KXBFYZLASA-N	357.454	2.105	10	10	FECE	
C[C@@H](NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1O	1918946490	ISWDOWUGWVQJFX-XIKOKIGWSA-N	352.431	2.120	10	10	FECE	
O=C(CNC(=O)c1cc2cc(O)c(O)cc2s1)NCCc1ccccc1	1625672362	DVLJRSOXVJPIPV-UHFFFAOYSA-N	370.430	2.401	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@@H](N(C)C)C1	1627013557	FPEQUAMFCLZDMD-NVXWUHKLSA-N	362.470	2.404	10	10	FECE	
CCOCCn1c(CC)nnc1N(C)Cc1ccc(N2CCOCC2)cc1	1729159219	MLOWWSHOLVUCNZ-UHFFFAOYSA-N	373.501	2.350	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(CNC(=O)Cc2ccc(O)c(O)c2)CC1	1584292812	QBCKQDQMRDOBCW-UHFFFAOYSA-N	364.442	2.404	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)/C=C/c2ccc(S(C)(=O)=O)o2)c1	1595806384	JBSAXBBTQDPKIQ-BWNDKRECSA-N	365.407	2.288	10	10	FECE	
C=C/C=C\CCNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	1676253310	FXIVAYFIYCMUTP-PLNGDYQASA-N	358.486	2.249	10	10	FECE	
COC[C@@H]1CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C[C@H](C)O1	1772925127	NHGTWIMABROVBU-MHQJXXKBSA-N	350.371	2.021	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@]1(C)CCN(C)C1=O	820885825	KXYZFNWTSKYWHP-MRXNPFEDSA-N	369.259	2.372	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NCc3ccc(O)c(O)c3O)C[C@H]2C1	2033980730	BZYBLNFFRRKCGE-XQQFMLRXSA-N	350.415	2.148	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@H](NCc2cccc(O)c2O)CCO1	2036666052	GHADIFJHWUOIML-ZIAGYGMSSA-N	352.431	2.260	10	10	FECE	
COc1cccc(O)c1CN[C@H]1COC[C@H]1CNC(=O)OC(C)(C)C	2042568419	GHWAGLHKXZLEOI-OCCSQVGLSA-N	352.431	2.030	10	10	FECE	
C[C@@H](CCCNC(=O)COc1ccc(N)cc1)NC(=O)OC(C)(C)C	2044229726	ZFJNFVQNFYSQGO-ZDUSSCGKSA-N	351.447	2.457	10	10	FECE	
C[C@H](NC(=O)CN(C)CCNC(=O)OC(C)(C)C)c1ccccc1O	2072480661	YHLZJQWVVRKSDE-ZDUSSCGKSA-N	351.447	2.026	10	10	FECE	
CN(C)c1ccc([C@H](O)[C@@H](NC(=O)OC(C)(C)C)c2cn(C)nn2)cc1	2110415256	PFNWZADFHXZXEJ-HOTGVXAUSA-N	361.446	2.181	10	10	FECE	
NC(=O)CN(Cc1ccc(N)cc1)C(=O)CCCOCc1ccccc1	2104021444	IZCYGHZOCXWPEM-UHFFFAOYSA-N	355.438	2.080	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2C[C@@]2(NC(=O)OC(C)(C)C)C1	2106765493	KQUOBGDOHIBWIC-QHRIQVFBSA-N	360.458	2.195	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CNCC[C@@H]1COC[C@H]1O	2111336901	RAAIPYHQONWCAG-PRHODGIISA-N	350.640	2.295	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-]	2218737381	HBOKLNZZXAAWQR-OZVIIMIRSA-N	353.423	2.096	10	10	FECE	
CC(C)(C)OC(=O)NCCCC[C@@H](NCc1ccc(O)cc1O)C(=O)O	2274060192	DFKFHSLPDCXXLN-CQSZACIVSA-N	368.430	2.336	10	10	FECE	
C[C@@H]1O[C@]2(C(=O)NCC3(CN=[N+]=[N-])CC3)C[C@@]1(NC(=O)OC(C)(C)C)C2	2266082309	LAJPCNNLUNPTTE-GOPGUHFVSA-N	365.434	2.408	10	10	FECE	
COc1cc(C=C2C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1O	2296772731	DNQKMVGMEMHWFK-UHFFFAOYSA-N	370.336	2.202	10	10	FECE	
Cc1cc(C=CC(=O)NCC(=O)N2CCOCC2)c(C)n1-c1ccccc1	2307225830	PFFJYQMOTFEYBN-UHFFFAOYSA-N	367.449	2.082	10	10	FECE	
[N-]=[N+]=NCCCCCNc1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O	2325739762	SDPGTOOVIBSDST-OAHLLOKOSA-N	370.413	2.340	10	10	FECE	
COCC(C)(C)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	119088702	ILOMRANLXDOHBD-UHFFFAOYSA-N	374.529	2.443	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)c1sc(S(N)(=O)=O)cc1C	115490683	GAJXKOPMVHNXSO-UHFFFAOYSA-N	367.496	2.008	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)NN1Cc2ccccc2C1=O	183851702	OGCZWFBHNPPCBB-JXMROGBWSA-N	363.417	2.224	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCO[C@H](c3cccc(O)c3)C2)cc1	121627167	NMXSDKBFHWCSSR-FQEVSTJZSA-N	369.465	2.148	10	10	FECE	
C[C@H](C(=O)NC(=O)NC1CCCC1)N1CCOc2cc(N(C)C)ccc21	130441294	NUEOBMXWIJKMPP-CYBMUJFWSA-N	360.458	2.108	10	10	FECE	
CCOCCN1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H]1C	245936570	QEARBRRAAQVDBN-CYBMUJFWSA-N	353.419	2.159	10	10	FECE	
Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)c(O)c1O	373054726	WRKVFSCEBQBKDT-TZMCWYRMSA-N	362.426	2.488	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2cc(C)on2)cc1	283033744	CIFFIOONVFQAHK-UHFFFAOYSA-N	358.442	2.104	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(CC(=O)Nc3ccc(N)cc3)C[C@@H]21	2162944429	IXUVFHBPWBAWLG-XOKHGSTOSA-N	374.485	2.442	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3CCCN3C(=O)C(C)C)C2)cc1	819584137	ZCLQMVHJPKHKMR-QFBILLFUSA-N	373.497	2.285	10	10	FECE	
CCS(=O)(=O)c1ccccc1CC(=O)NCc1ccc(N(C)C)cc1	905317151	HKWLQWIFGCBZHX-UHFFFAOYSA-N	360.479	2.405	10	10	FECE	
COc1ccc(N2CCC(N[C@@H]3CNCC4(CCOCC4)C3)CC2)cc1	903971754	DDIUPBXLMXKYIG-SFHVURJKSA-N	359.514	2.412	10	10	FECE	
CN1CCCc2cc(CNC(=O)NCC(C)(C)[C@]3(O)CCOC3)ccc21	826019684	JTUBSVSDYBJHKG-FQEVSTJZSA-N	361.486	2.046	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3CC[C@H](CN4CCOC4=O)C3)ccc21	838031233	BJQWGLQXZNDTKT-INIZCTEOSA-N	372.469	2.053	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@@H]1CN(C2CC2)C(=O)O1	847386023	PNVUKMQSJSKIKR-RDTXWAMCSA-N	374.485	2.274	10	10	FECE	
CNC(=O)[C@H](CNC(=O)Nc1ccc(N)cc1)Cc1ccc(F)cc1C	843043394	QXLGZEBDISEXGS-AWEZNQCLSA-N	358.417	2.443	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NCC[C@]2(O)CCOC2)c1O	848555160	MEPLSLRKKSKJMT-BMIGLBTASA-N	360.248	2.355	10	10	FECE	
CC[C@]1(C2CC2)NC(=O)N(CN(C)CCN(C)c2ccc(OC)cc2)C1=O	844725195	HUVYTTYCXSBUHK-HXUWFJFHSA-N	374.485	2.131	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCCN3C(=O)C(C)C)C2)cc1	855231358	VVEITQPUURAUMB-LPHOPBHVSA-N	373.497	2.427	10	10	FECE	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCCC12CC2	858641311	ABXAAPSFVQACSR-KRWDZBQOSA-N	362.495	2.118	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(N(C)C)n3)C2)cc1	852454234	OOATWHBYCNQQHI-INIZCTEOSA-N	369.469	2.234	10	10	FECE	
C[C@@H]1CCc2nc(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)cn2C1	857962088	TWBIITFTHYQSEE-OAHLLOKOSA-N	368.481	2.357	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N1CCC[C@H]1C1CC1	1340671664	GIWVWNAMSHKSAP-SFHVURJKSA-N	373.522	2.257	10	10	FECE	
CC(C)(C)c1cc(CS(=O)(=O)NNc2nc3cccnc3s2)no1	857226033	XVLXEFCJKRNIRV-UHFFFAOYSA-N	367.456	2.423	10	10	FECE	
CC[C@@H](NC[C@@]1(OCCO)CCOC1)c1cc(Br)ccc1O	850507422	JJFMNQLFWIOGHA-ZBFHGGJFSA-N	374.275	2.363	10	10	FECE	
Nc1ccc(CCNC(=O)C(=O)NCc2csc(C(F)(F)F)c2)cc1	861776860	NOVFEAGVMXBOPN-UHFFFAOYSA-N	371.384	2.324	10	10	FECE	
CNS(=O)(=O)C[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1	862550682	GTCOFBPNEUHEOA-GOSISDBHSA-N	365.543	2.438	10	10	FECE	
COC(=O)C1(CS(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1	866560566	VQDPDRQEGJZWJR-UHFFFAOYSA-N	368.499	2.246	10	10	FECE	
C[C@H](NC(=O)N[C@H]1CCNC12CCC2)c1ccc(N2CCOCC2)cc1	861566361	USIJTWVJVQDMCH-YJBOKZPZSA-N	358.486	2.168	10	10	FECE	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)/C(=C\N2CCOCC2)SC1=S	1084284254	UOSXSVKINHYTMR-UKTHLTGXSA-N	365.436	2.442	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)c1nc(=NCc2ccc(N(C)C)cc2)[nH][nH]1	2130119347	PLCPGYSPGNCPMR-LBPRGKRZSA-N	360.462	2.490	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1	2132416938	AVQJKPGGBIQXGY-JQWIXIFHSA-N	366.414	2.227	10	10	FECE	
C[C@H]1CNc2c(C(=O)NCc3ccc(N4CCSCC4)cc3)cnn2C1	1518954147	MFLZZNMIBRPZOK-AWEZNQCLSA-N	371.510	2.428	10	10	FECE	
CN(C)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C2CC2)cc1F	1516999799	QKHIPVAUKBCOSU-OAHLLOKOSA-N	372.448	2.081	10	10	FECE	
CC(=O)N1CCN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)[C@@H](C)C1	1286870372	BJHRXZHQIIVQIQ-HNNXBMFYSA-N	370.501	2.066	10	10	FECE	
CN(CCC(=O)Nc1ccc(N)cc1)C[C@@H](O)COCc1ccccc1	1916365601	ZGLXLDYZMSTOGH-LJQANCHMSA-N	357.454	2.107	10	10	FECE	
O=C(NCc1cccc(O)c1O)[C@@H](O)Cc1cccc(C(F)(F)F)c1	1455317232	SSXHUYKXZDWPMF-AWEZNQCLSA-N	355.312	2.336	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H](CO)Cc1ccncc1Cl	1618611922	FZEIXHRVNYMSQL-CXLRFSCWSA-N	362.813	2.127	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(Cn2cncn2)c1	1611431289	MKRQSIIIAOWVAN-CYBMUJFWSA-N	352.394	2.099	10	10	FECE	
COc1ccc(CN[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cc1C	1714274999	PRXLXHBHOZZHRD-FHLIZLRMSA-N	356.470	2.135	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1cn2ccc(Br)cc2n1	1639292535	HBDINQANBIGURM-UHFFFAOYSA-N	362.183	2.438	10	10	FECE	
CN(Cc1ccccc1O)C(=O)NCc1cc(S(C)(=O)=O)ccc1F	1634655492	PRMLFVWVFALLOO-UHFFFAOYSA-N	366.414	2.276	10	10	FECE	
CN(C(=O)[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1)c1ccccc1	1634312127	PCOJFDJPJGXQDU-OAHLLOKOSA-N	354.406	2.152	10	10	FECE	
NC(=O)[C@@H]1CC[C@H](CCC(=O)NCc2cc(Cl)cc(Cl)c2O)O1	1570027739	WJYCJWOLPMRTFR-PWSUYJOCSA-N	361.225	2.128	10	10	FECE	
COc1cccc(CNC(=O)[C@@H]2CSC(c3ccccc3O)=N2)c1O	1595800541	YRJWFCULWOFOFC-ZDUSSCGKSA-N	358.419	2.285	10	10	FECE	
C[C@H](NC(=O)[C@@H]1[C@H]2OCCN(C(=O)OC(C)(C)C)[C@H]12)c1ccccc1O	1877573970	QVBYQJPFBMNSOF-DANNLKNASA-N	362.426	2.204	10	10	FECE	
CC(C)S(=O)(=O)CCN(C)Cc1cc(Br)ccc1O	1971965634	CKBFIOCAABJGGW-UHFFFAOYSA-N	350.278	2.410	10	10	FECE	
CC(C)(C)OC(=O)NCc1nc(=NCc2c(O)cccc2F)s[nH]1	2014198076	SVMFEBCJFNTRRN-UHFFFAOYSA-N	354.407	2.442	10	10	FECE	
CC[C@@H](N[C@H]1[C@H]2CS(=O)(=O)C[C@H]21)c1cc(Br)ccc1O	2174639651	QCHVAYPXWNOGKT-GFQSEFKGSA-N	360.273	2.238	10	10	FECE	
C[C@H](NCC1(O)CC(NC(=O)OC(C)(C)C)C1)c1cc(O)ccc1O	2045141637	ZFCBADJGGBJQCT-OMTHAAKESA-N	352.431	2.167	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@H](NCc3cc(F)ccc3O)CO[C@H]2C1	2057955604	ZNRFCPYEUNUENF-LZWOXQAQSA-N	352.406	2.255	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C	2073136650	WQPLXAVXGYYIPQ-TZMCWYRMSA-N	352.431	2.187	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C(NC(=O)CCOc3ccc(N)cc3)[C@@H]2C1	2106236967	ISJWVGJTUDPKMO-HUUCEWRRSA-N	361.442	2.019	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COCCN(CCCOc2ccc(N)cc2)C1	2106760821	RVECMMXSMNZFKN-INIZCTEOSA-N	365.474	2.263	10	10	FECE	
CN(C[C@@H]1CCN(CC(=O)Nc2ccc(N)cc2)C1)C(=O)OC(C)(C)C	2106765916	NQOHFVNOFBXOIW-AWEZNQCLSA-N	362.474	2.396	10	10	FECE	
CC(C)(C)OC(=O)NCCc1nc(=NCc2cccc(F)c2O)s[nH]1	2222334401	CJLFLUAZIURTMN-UHFFFAOYSA-N	368.434	2.484	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(CCC(=O)Nc1ccc(N)cc1)C2	2288265799	BGCRIKBBUHQWCS-VLIAUNLRSA-N	374.485	2.444	10	10	FECE	
O=C1NC(=O)N(Cc2ccoc2)C(=O)C1=Cc1cnn(-c2ccccc2)c1	2297346952	XXSFJARZYGRMJU-UHFFFAOYSA-N	362.345	2.127	10	10	FECE	
CCOc1ccc(C=CC(=O)NCCN2C(=O)CSC2=S)cc1	2320752714	PJUQVUYCNPQNIK-UHFFFAOYSA-N	350.465	2.075	10	10	FECE	
CCN(CCN=[N+]=[N-])S(=O)(=O)Cc1ncsc1Br	2315992987	VBJGKDYUJVSDIZ-UHFFFAOYSA-N	354.255	2.368	10	10	FECE	
CN1CCN(c2ccc(N=NN3CCN(c4ncccn4)CC3)cc2)CC1	2330217000	IFWZKRXPMCENHL-UHFFFAOYSA-N	366.473	2.049	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3cccs3)CC2)cc1	54304833	DSTOGMLKEWYNMI-CQSZACIVSA-N	373.478	2.224	10	10	FECE	
CN(C)c1ccc(CNC(=O)NCCNC(=O)c2ccccc2)cc1F	58558259	DNBDBUKCYOMGPC-UHFFFAOYSA-N	358.417	2.121	10	10	FECE	
COC(=O)[C@H](C)CN(C(=O)/C=C/c1ccc(N2CCOCC2)cc1)C1CC1	108711439	XQWQLDRDEYPRLR-ZWIJEDICSA-N	372.465	2.337	10	10	FECE	
Cc1nn(C)cc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	179132019	NWYWRGSKOMYIAV-UHFFFAOYSA-N	369.469	2.220	10	10	FECE	
COCCN1CCC[C@@H]1CNC(=O)NCc1c(O)ccc2c1CCCC2	173176904	QNCACDWIUFISMU-MRXNPFEDSA-N	361.486	2.181	10	10	FECE	
COc1ccc(N2CCN(S(=O)(=O)[C@@H](C)C(F)(F)F)CC2)cc1	184099848	RESQDSRJVOIZIF-NSHDSACASA-N	352.378	2.098	10	10	FECE	
Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(N)cc3)C2)n1	237740964	UUBRZVWBTXQDLI-MRXNPFEDSA-N	352.438	2.392	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCc3ccnc(O)c3C2)c([N+](=O)[O-])c1	369595718	QKYWECHHKBKWMP-HWKANZROSA-N	355.350	2.444	10	10	FECE	
Cc1ccc(CN2CCC(O)(C(N)=S)CC2)c(O)c1Br	2381134756	HRBZJCYDRGRCMX-UHFFFAOYSA-N	359.289	2.076	10	10	FECE	
CC[C@@H](CNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)OC	811969375	XZZYYENWAZCMLF-FQEVSTJZSA-N	374.529	2.443	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)N[C@@H]3CCC[C@H]3C)CC2)cc1	729605537	CHGBZPWRFPWIDJ-VQIMIIECSA-N	360.502	2.305	10	10	FECE	
COCC(C)(C)CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	839550670	ZDAFEUNRWVOXPR-UHFFFAOYSA-N	352.450	2.466	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cnc(C2CC2)nc1	837889553	OVFPMVGUONKQBY-UHFFFAOYSA-N	368.437	2.235	10	10	FECE	
O=C(NCc1ccc(O)cc1O)[C@H]1CCCN1C(=O)Cc1cccs1	910952249	UHVKDEGNEYHYPI-OAHLLOKOSA-N	360.435	2.009	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NCC2(O)CCN(C)CC2)c1O	848528060	JLFPFDCUYLHECK-LLVKDONJSA-N	373.291	2.271	10	10	FECE	
CCOc1ccc(CNC[C@@H]2CS(=O)(=O)c3ccccc3O2)c(O)c1	842722615	SDXUVZJZLKMZIS-OAHLLOKOSA-N	363.435	2.115	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H](CC3CCC3)NC(C)=O)C2)cc1	855223348	FWTVRZLDLGZCBL-VQIMIIECSA-N	359.470	2.085	10	10	FECE	
O=C(C[C@H]1NCc2ccccc21)NCc1ccc(N2CCC(O)CC2)cc1	852868781	NOMIZCWVOGRTJB-OAQYLSRUSA-N	365.477	2.499	10	10	FECE	
CCOC(=O)C[C@@H](C)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	852232073	MMCIDCTXOZWYMH-HUUCEWRRSA-N	363.458	2.162	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC2C[C@H]3[C@H](C2)C3(F)F)c1	922377624	DMBVGTBFUXNVLS-RYUDHWBXSA-N	361.366	2.212	10	10	FECE	
C[C@H](C(=O)NCc1ccccc1O)c1ccc(S(=O)(=O)N(C)C)cc1	752794725	BJHNCLBGYLEIFS-ZDUSSCGKSA-N	362.451	2.062	10	10	FECE	
Cc1cc(C(=O)COC(=O)C(C)(C)C(N)=O)c(C)n1-c1ccc(F)cc1	769681251	DIXWUYDZODEXPB-UHFFFAOYSA-N	360.385	2.471	10	10	FECE	
CN1CCCc2cc(CNC(=O)C(=O)N[C@@H]3CCCC(F)(F)C3)ccc21	1117431481	YYMQAMZZBNGSMB-OAHLLOKOSA-N	365.424	2.379	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)CNC(=O)c1ccncc1	1136025435	KIIPLVVZFNBUBH-UHFFFAOYSA-N	352.438	2.070	10	10	FECE	
CN(C[C@@H]1CCCCS1(=O)=O)c1ccc(CN)cc1Br	694103568	LOLPYQQWNRSRQT-LBPRGKRZSA-N	361.305	2.311	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(Br)cnc1O	1154027229	SDCLPYFZTACJHU-MRVPVSSYSA-N	367.199	2.322	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C[C@@H](O)C1	2124538933	PANVMNPAEPDXBV-BFHYXJOUSA-N	367.450	2.296	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(C(=O)NCC2(CN=[N+]=[N-])CC2)C1	2124509900	PWUZBQHCNHJVJM-SJCJKPOMSA-N	365.434	2.219	10	10	FECE	
COC(=O)[C@H](NCc1cc(OC)cc(C(C)(C)C)c1O)c1ccnn1C	1333943911	BNQXKYIWECRBQG-MRXNPFEDSA-N	361.442	2.436	10	10	FECE	
CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NCc1cccc(O)c1O	1348045174	CLYZDSIMGMXTJH-LLVKDONJSA-N	354.428	2.024	10	10	FECE	
C[C@]1(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CCNC(=O)C1	1355506450	GBKPNZOVCKFRMT-NRFANRHFSA-N	362.385	2.317	10	10	FECE	
CN1C(=O)[C@@H](N)c2ccc(N(Cc3ccccc3)[C@@H](CO)C3CC3)cc21	1915201517	FKIYKPJIDRZJSG-PMACEKPBSA-N	351.450	2.440	10	10	FECE	
CCc1nnc(N2CC[C@H]3C[C@H]2CO3)n1Cc1ccc(N(C)C)c(F)c1	1293012350	ODNYPHHOWQQDQJ-GJZGRUSLSA-N	359.449	2.462	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1CC2(C1)CS(=O)(=O)C2	1527472521	BRUYMPHWPRFTST-UHFFFAOYSA-N	364.511	2.314	10	10	FECE	
C[C@H](NC(=O)Cc1csc(N2CCOCC2)n1)c1ccc(N(C)C)cc1	1467260918	WZTCVNJNBDBDSE-AWEZNQCLSA-N	374.510	2.466	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1	1684808076	UGXITUVITGPAPL-JCNLHEQBSA-N	365.499	2.004	10	10	FECE	
CC[C@H]1SC(=S)N(CCC(=O)Nc2ccccc2C(=O)OC)C1=O	11635783	WBBAMCHBTINELC-GFCCVEGCSA-N	366.464	2.441	10	10	FECE	
CN(C)c1cccc(NS(=O)(=O)c2cc(Br)cnc2N)c1	161426491	CLQZVMCASGKVTD-UHFFFAOYSA-N	371.260	2.293	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NCc2cc(N)ccc2O)C1	1999477009	FQNHLJIVRAJBTR-RKNYENMMSA-N	355.460	2.239	10	10	FECE	
C[C@@H](N)c1ccc(N2CCC[C@@H](S(C)(=O)=O)C2)cc1Br	312885156	VTUCMKFTTYTGSF-ZYHUDNBSSA-N	361.305	2.482	10	10	FECE	
CN(CC(=O)NCC(F)(F)F)Cc1c(O)cccc1Br	2172288413	BOXPLJRLPAPVDE-UHFFFAOYSA-N	355.154	2.265	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@@H]1NCc1cccc(O)c1O	387917501	BCBGQGOIQNZXKZ-CRNXPOROSA-N	364.442	2.258	10	10	FECE	
CN(Cc1ccccc1O)C(=O)c1c(CNC(=O)OC(C)(C)C)cnn1C	820880252	YYULCUUKXSLPSL-UHFFFAOYSA-N	374.441	2.423	10	10	FECE	
C[C@H](CCN(C)C(=O)OC(C)(C)C)NS(=O)(=O)Cc1ccc(N)cc1	2049144734	DESLSQCLAJDOMO-CYBMUJFWSA-N	371.503	2.334	10	10	FECE	
CN1C(=O)[C@@H](N)c2ccc(N3C[C@H]4C[C@@H](C3)N(Cc3ccccc3)C4)cc21	2187755090	ZGVUHHRQBBRWDN-MDKPJZGXSA-N	362.477	2.374	10	10	FECE	
CO[C@H]1CN(Cc2cc(N)ccc2O)[C@@](C)(CNC(=O)OC(C)(C)C)C1	2106682468	VBKFYFSGXDJMQX-DNVCBOLYSA-N	365.474	2.479	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cc(N)ccc2O)[C@]2(CCOC2)C1	2106753389	IHLVJPCLZXYRMK-HNAYVOBHSA-N	363.458	2.233	10	10	FECE	
COCCOCCN(Cc1ccccc1)c1ccc2c(c1)NC(=O)[C@H]2N	2095880204	XAXDYPXKEXQEGB-IBGZPJMESA-N	355.438	2.308	10	10	FECE	
CC1=NN(c2ccc3nncn3n2)C(=O)C1=CNc1ccccc1Cl	2296901196	NHCMITCJBXWBID-UHFFFAOYSA-N	353.773	2.496	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCc2cc(O)c(O)cc2C1	2341196459	HBWCEACYGGHCHC-BDJLRTHQSA-N	362.426	2.238	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC[C@@H]1[C@H]1CNC(=O)C1	121578757	PPYBQSASEGLTEA-SJLPKXTDSA-N	358.486	2.261	10	10	FECE	
Cc1csc([C@H](C)NC(=O)C(=O)NCCCSc2nccs2)n1	804502004	IYIUPBKTYWEADK-JTQLQIEISA-N	370.525	2.384	10	10	FECE	
CC(=O)C(=O)COC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1	808499389	VPDXTGNOUAFMBU-UHFFFAOYSA-N	372.826	2.128	10	10	FECE	
CC(C)(C)OC(=O)NC1[C@@H]2CN(CCCC(=O)Nc3ccc(N)cc3)C[C@@H]12	2164057394	URVRJSIQZOVONP-HZPDHXFCSA-N	374.485	2.442	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CN=c3cc[nH]c4cccnc34)cc2)C1	814827795	CMPWOEZGAIMXBW-INIZCTEOSA-N	361.449	2.366	10	10	FECE	
CNC(=O)[C@H]1CN(C(=O)/C=C/c2cnc3ccccc3n2)c2ccccc2O1	728222179	QWCAFSRCUAPHQV-GNISGLHKSA-N	374.400	2.183	10	10	FECE	
COc1ccc(O)c(CN2CC(C)(c3nnc(C4CCOCC4)o3)C2)c1	828035819	LYVRXBLCLCNNBQ-UHFFFAOYSA-N	359.426	2.451	10	10	FECE	
Cc1cc(C(=O)CN2CCO[C@]3(CCOC3)C2)c(C)n1-c1ccc(F)cn1	828911445	PLNFXNNFPFUAEK-HXUWFJFHSA-N	373.428	2.302	10	10	FECE	
C[C@H](c1cccnc1)N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	588404530	HVYXGIPZTIUULT-ZQMJAJRESA-N	353.422	2.411	10	10	FECE	
CCOC(=O)C[C@H](C)N(C)C(=O)/C=C\c1ccc(N2CCOCC2)cc1	588426853	COFVJBXOLPLMNI-BJIFSAINSA-N	360.454	2.337	10	10	FECE	
COC(=O)/C=C\c1ccc(N(C[C@@H]2CCC(=O)N2)C(C)C)c([N+](=O)[O-])c1	840387321	OBWPPLZIMNZBHB-UQYHUFHVSA-N	361.398	2.274	10	10	FECE	
CC(C)N1CC[C@H](C(=O)NCc2ccccc2O)[C@@H](c2cnn(C)c2)C1	849566295	ZXTUAAHYAALESE-ZWKOTPCHSA-N	356.470	2.256	10	10	FECE	
CO[C@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)[C@](C)(C(=O)O)C1	910262591	IEYLBHORLFEYND-KUHUBIRLSA-N	357.410	2.193	10	10	FECE	
C[C@H](NC(=O)NC[C@@H]1CCN1C1CCOCC1)c1ccc(N(C)C)cc1	922055944	UILPTHDAGMDPRO-KXBFYZLASA-N	360.502	2.366	10	10	FECE	
CCc1noc(C[C@]2(O)CCCN(Cc3ccc(N(C)C)c(F)c3)C2)n1	856595685	HTYAIHLZICZLGS-LJQANCHMSA-N	362.449	2.407	10	10	FECE	
CN(C)c1ccc([C@@H](N)CNC(=O)c2cn(C)nc2-c2ccco2)cc1	852792074	QQTOKIUEPWWKNY-INIZCTEOSA-N	353.426	2.176	10	10	FECE	
Cc1cc(CC(=O)NCCCN2CCN(C)CC2)c(C)n1-c1ccccc1	854277518	DTSZISAYMQVNAN-UHFFFAOYSA-N	368.525	2.390	10	10	FECE	
CC(C)OC[C@H](O)COC(=O)c1csc(Cc2ccc(N)cc2)n1	762960782	RPUGVWOSODFZHD-AWEZNQCLSA-N	350.440	2.259	10	10	FECE	
Cc1cc(Br)c(O)c(CN[C@H]2CCN(CC(C)(C)O)C2)c1	865660068	VSAMHGDMGHXTFE-ZDUSSCGKSA-N	357.292	2.398	10	10	FECE	
COC(=O)COc1ccc(N(C)CC(=O)Nc2ccc3c(c2)OCO3)cc1	784565618	KTRPHGQWZJOMCC-UHFFFAOYSA-N	372.377	2.042	10	10	FECE	
C[C@@H](NC[C@H]1COCCN1C(=O)OC(C)(C)C)c1cc(O)ccc1O	394143658	YGBZSALNUIKGTJ-OLZOCXBDSA-N	352.431	2.384	10	10	FECE	
COc1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)nc2)c(O)c1	795357924	SJPCENXFSAEPFS-UHFFFAOYSA-N	362.329	2.293	10	10	FECE	
Cc1nc(O)c(Br)cc1C(=O)NCc1ccc(O)cc1O	1142534026	WUTZABBMASIEDU-UHFFFAOYSA-N	353.172	2.199	10	10	FECE	
O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1	1084344552	OVFZVOXVTGIELW-CLFYSBASSA-N	361.310	2.158	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCc2cnc(O)[nH]2)cc1	1160386862	ISBMMPKDMTYFTA-UHFFFAOYSA-N	352.394	2.194	10	10	FECE	
CC(C)C[C@H](CO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1479534997	QWYLGBZJXVHKOR-SJLPKXTDSA-N	350.507	2.062	10	10	FECE	
O=C(NCc1ccc(O)cc1O)[C@H]1Cc2cc(Br)ccc2O1	1557085208	FGFSUFYHTSTXMX-OAHLLOKOSA-N	364.195	2.480	10	10	FECE	
COc1cc(N2CCc3c(CC(N)=O)cccc3C2)c([N+](=O)[O-])cc1OC	1640265869	WAGPNQIBIQQRCK-UHFFFAOYSA-N	371.393	2.203	10	10	FECE	
COC[C@@H](NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C)c1nn[nH]n1	1595888903	JJZPNVZGEJNDPA-OAHLLOKOSA-N	374.832	2.378	10	10	FECE	
CC(C)c1nnc(N(C)Cc2ccccc2O)n1C[C@H](C)N1CCOCC1	1750611106	LXOOYNCAMBFQTQ-INIZCTEOSA-N	373.501	2.464	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1Cc1ncccc1N(C)C	1762515780	KTMUJYKGJUFRSO-UHFFFAOYSA-N	352.442	2.438	10	10	FECE	
CO[C@H](CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1)CC(C)C	1683266967	MHGIUIRPRFYOSO-IBGZPJMESA-N	362.518	2.299	10	10	FECE	
O=c1[nH]c(-c2ccc(O)c(O)c2)nc(C2CC2)c1I	236570297	ZYBKOHYBUPPIBZ-UHFFFAOYSA-N	370.146	2.330	10	10	FECE	
COC(=O)C1(NC(=O)OC(C)(C)C)CC(NCc2cc(F)ccc2O)C1	1967854157	VQFFICJLRASSFT-UHFFFAOYSA-N	368.405	2.220	10	10	FECE	
C[C@H](N[C@@H]1COCC[C@@H]1NC(=O)OC(C)(C)C)c1c(O)cccc1O	2031533581	VNVKQKBWPOXYLX-RWMBFGLXSA-N	352.431	2.431	10	10	FECE	
O=C(NC[C@@]12CN(Cc3ccccc3)C[C@H]1CCO2)c1ccc(O)c(O)c1	2175199478	RQXDVLPZIRZLKE-DYESRHJHSA-N	368.433	2.119	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)C2(CC2)CO1	2065371635	OFBBUSKOMQGFMM-LBPRGKRZSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]12CC[C@H]1CN(C(=O)COc1ccc(N)cc1)C2	2106696904	MKEJVVBMYHZGKU-ORAYPTAESA-N	361.442	2.163	10	10	FECE	
CCOC(=O)c1cccc(N)c1N[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C	2108845415	IHUXDAWOPOVEKR-KGLIPLIRSA-N	365.430	2.150	10	10	FECE	
CCC[C@H](CNS(=O)(=O)Cc1ccc(N)cc1)NC(=O)OC(C)(C)C	2218567273	JSXDIZMTDLPPIW-OAHLLOKOSA-N	371.503	2.382	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@]1(C)CCNC(=O)c1cc(O)c(O)c(O)c1	2225551312	NAOCOSLUAXUVPL-SFHVURJKSA-N	366.414	2.323	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1	2307981997	JBVVFJUSLRVJQM-UHFFFAOYSA-N	369.377	2.368	10	10	FECE	
COc1ccccc1C=C1SC(=S)N(CCCNC(C)=O)C1=O	2323887646	MGYSCCOUSNDJBH-UHFFFAOYSA-N	350.465	2.423	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](C(=O)N3CC[C@H](N=[N+]=[N-])C3)O[C@H]2C1	2334849980	LTOOVMKQOXDPQU-XUXIUFHCSA-N	365.434	2.312	10	10	FECE	
COCCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C(C(=O)OC)=C1C	6887950	SMWMJPAKDYCBNS-RVDMUPIBSA-N	360.366	2.304	10	10	FECE	
NC(=O)CC[C@H]1CCCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1	108794880	IHJROAPMVUWORN-WGLAMXGCSA-N	371.481	2.041	10	10	FECE	
COc1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1	103843793	YNDMTRVZLCOKAM-JLHYYAGUSA-N	355.325	2.413	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1CN(CC(=O)Nc1ccc(N)cc1)C2	2358643580	SDDZPRSHOYKDQN-ZQIUZPCESA-N	374.485	2.442	10	10	FECE	
COC(=O)c1ccc(=O)n(CN2CCCc3cc(OC(F)F)ccc32)n1	179706129	GQPUQMZTFWSPIA-UHFFFAOYSA-N	365.336	2.042	10	10	FECE	
COc1cc(Br)c(Br)c([C@@](C)(N)CO)c1O	309169247	KYSYGTVJIZKGES-JTQLQIEISA-N	355.026	2.092	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1C[C@@H]2OCCC[C@@H]21	187408254	UFBBHCFNUSPBKR-KYJSFNMBSA-N	363.433	2.029	10	10	FECE	
Cc1n[nH]c([C@H]2CN(Cc3cccc(Br)c3O)CCO2)n1	180112840	DIQFULAWYGBJIO-GFCCVEGCSA-N	353.220	2.155	10	10	FECE	
O=C(C[C@@H]1COC(=O)C1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	246827525	AFXVSJVKFRQDFU-QWHCGFSZSA-N	368.380	2.326	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@@H](N)C(F)(F)F	1952352996	KTPGEVRAYMYXHN-BXKDBHETSA-N	350.337	2.423	10	10	FECE	
Nc1ccc(Br)cc1C(=O)NCCc1ccc(O)c(O)c1	255188383	JQLGSTDIAUBUJP-UHFFFAOYSA-N	351.200	2.415	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N[C@H](CO)Cc1ccccc1	255757250	UAJDASTXRYGBHS-WUQYLLKWSA-N	366.461	2.256	10	10	FECE	
C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc(N2CCOCC2)cc1	369566078	OXFKCKODXKKALR-GOSISDBHSA-N	359.514	2.208	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCC[C@@H](CO)C1	298366939	UHKJOKFYXPGWLC-CVEARBPZSA-N	365.449	2.013	10	10	FECE	
Cc1nc(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)co1	801641277	VDLXFKKOLZONGV-UHFFFAOYSA-N	354.454	2.445	10	10	FECE	
CC[C@H](N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(C)cc1O	806171039	PRBAJXATCDDCSD-ZBFHGGJFSA-N	355.504	2.012	10	10	FECE	
Cc1cc(CN2CCC(CC(=O)N3CCN(C)CC3)CC2)ccc1N(C)C	815070626	VWTBVAHMZLYCTC-UHFFFAOYSA-N	372.557	2.437	10	10	FECE	
COC[C@@]1(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CCOC1	839253233	GJHIXMLALWQLOD-NRFANRHFSA-N	365.385	2.454	10	10	FECE	
CC[C@@H](NC(=O)C(=O)NCCCSc1nccs1)[C@@H]1CCCCO1	848934407	BGNZQYAOAWETBB-OLZOCXBDSA-N	371.528	2.205	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCO[C@@]2(CCOC2)C1	840482353	WSDVGTOIZVXVKI-UZLBHIALSA-N	361.486	2.193	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CNC[C@@]2(CO)CCc3ccccc32)c1O	846012199	WNMSJAZDRTZQLF-LJQANCHMSA-N	358.394	2.275	10	10	FECE	
COC(=O)/C=C\c1ccc(N2C[C@H](SC)[C@H](N(C)C)C2)c([N+](=O)[O-])c1	759278262	MXYQKFRNNQZHRV-ICFKLAHKSA-N	365.455	2.263	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCC(CN(C)C)CC3)C2)cc1	854301433	PHSQKOOXHGCPIV-KRWDZBQOSA-N	360.502	2.257	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Cc3cn4ccccc4n3)C2)cc1	855229985	BNBKJCCJTKIHLT-OAHLLOKOSA-N	350.422	2.281	10	10	FECE	
OC1CCN(c2ccc(CNCc3ncc(Br)[nH]3)cc2)CC1	922263254	TZSZEHKYZOCICM-UHFFFAOYSA-N	365.275	2.423	10	10	FECE	
COc1ccc(N2CCN(CCN[C@@H]3CCN4CCC[C@H]4C3)CC2)cc1	754792454	BTJXIQGSNMKHJR-QUCCMNQESA-N	358.530	2.034	10	10	FECE	
C[C@@H]1C[C@@]2(CCO1)C[C@H]2C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	759653789	NIAQMWSDLHMRDJ-YWMUFLPLSA-N	374.481	2.459	10	10	FECE	
CC[C@@]1(CO)CCCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	854298334	ASLLTIAVMNHNFD-OXQOHEQNSA-N	361.486	2.468	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3ccc(OC)cn3)C2)cc1	854022336	FCUCLEZOZKXSNB-OAHLLOKOSA-N	356.426	2.177	10	10	FECE	
COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2Cc2ccc(N3CCOCC3)cc2)O1	930351321	OQODEWFVGSBEIQ-OBZTUIKSSA-N	374.481	2.207	10	10	FECE	
CCO[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CCOC1	864919506	XHHSHEDWWMYIMZ-WMZOPIPTSA-N	364.511	2.298	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nn2ccccc2=O)C1	770710327	XKQDRLNAMKIKOG-UHFFFAOYSA-N	364.449	2.340	10	10	FECE	
COc1ccc(N2CCN(C(=O)CSCc3ccnc(C)n3)CC2)cc1	794905783	QVDIRQBZLPXING-UHFFFAOYSA-N	372.494	2.376	10	10	FECE	
CN[C@@H](c1ccc(N(C)C)cc1)c1nn(C)cc1I	2121159970	ARGBUMFJTAGMSG-ZDUSSCGKSA-N	370.238	2.400	10	10	FECE	
CCOCc1nnc(N2CC[C@H](OC)C2)n1Cc1ccc(N(C)C)cc1C	1503131636	HQMVOZZFIZHZMC-SFHVURJKSA-N	373.501	2.462	10	10	FECE	
CC(C)[C@H](C(=O)NCc1ccc(O)cc1O)S(=O)(=O)C1CCCCC1	1299572109	APQDZANBRKTZDC-QGZVFWFLSA-N	369.483	2.486	10	10	FECE	
O=C(Cc1csc(NC(=O)c2ccco2)n1)NCc1ccc(O)cc1O	1469150905	BPUSMPVMQWFPRR-UHFFFAOYSA-N	373.390	2.259	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CC(c2cnn(C)c2)=NO1	1536551200	YLJRLHMBJFGOAC-IFXJQAMLSA-N	369.469	2.035	10	10	FECE	
COc1ccc(N2CCN(C(=O)C[C@@H]3CCCC[C@H]3O)CC2)cc1F	1465930371	OOTMHGAIPXIYCW-WMLDXEAASA-N	350.434	2.424	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1CC[S@](=O)C(C)(C)C	1707861759	URLXDSJEAVQFDV-DEOSSOPVSA-N	350.488	2.476	10	10	FECE	
CCN1CCC[C@@H](NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1=O	1636267714	SOKHKFXVUXAYBW-CRAIPNDOSA-N	360.502	2.302	10	10	FECE	
Cc1cc(CCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)n[nH]1	1566025422	FAXGQHDWCOZLNR-UHFFFAOYSA-N	360.433	2.067	10	10	FECE	
Nc1c(C(=O)NCc2cc(O)ccc2O)cc(Cl)c(F)c1[N+](=O)[O-]	1644753545	CXPVDDVMNAGUPG-UHFFFAOYSA-N	355.709	2.311	10	10	FECE	
CCc1ccc(NC(C)=O)cc1NC(=O)CCN1C(=O)CSC1=S	1865767736	CPEFIQIFVZYZLX-UHFFFAOYSA-N	365.480	2.396	10	10	FECE	
CN(C)c1ccc(CNCC(=O)Nc2nnc([C@@H]3CCCO3)s2)cc1	1857852420	YOPCZGLQAZNJDV-AWEZNQCLSA-N	361.471	2.184	10	10	FECE	
C[C@H](N)c1ccc(N2CC[C@@H](CS(C)(=O)=O)C2)c(Br)c1	2143668214	PPBJEEJMAVVTDU-WDEREUQCSA-N	361.305	2.340	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CNCC1CN(C2COC2)C1	2171180662	VIHJJTDRFXXAFK-UHFFFAOYSA-N	361.667	2.228	10	10	FECE	
Nc1ccc(CN2C[C@H]3[C@H]4CC[C@@H]([C@H]3C2)N(C(=O)C(F)(F)F)C4)cc1	1345159843	OEYULFANUVLZGR-TUUVXOQKSA-N	353.388	2.500	10	10	FECE	
Nc1ccc(OC[C@H](O)CN2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)cc1	2188877841	JWOKNFUQUYISEJ-SYYKKAFVSA-N	367.493	2.215	10	10	FECE	
CC(C)(C)OC(=O)NC1CC(F)(CNCc2ccc(O)c(O)c2O)C1	2043088462	VJGMUMHGPLXQMV-UHFFFAOYSA-N	356.394	2.288	10	10	FECE	
C[C@@H]1C[C@@H](CNC(=O)c2ccc(O)c(O)c2)CN1C(=O)OC(C)(C)C	2054419508	FAZSJOLKEWJLQR-NEPJUHHUSA-N	350.415	2.473	10	10	FECE	
Cc1ccc([C@@H](C)NCC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)c(O)c1	2102954250	XWJJORHVJHVFQT-CYBMUJFWSA-N	363.458	2.074	10	10	FECE	
COC(=O)[C@@H](CCN[C@H](C)c1c(O)cccc1O)NC(=O)OC(C)(C)C	2088543454	RJXJMPFZWSJALL-VXGBXAGGSA-N	368.430	2.205	10	10	FECE	
CC(C)(C)OC(=O)NCCc1n[nH]cc1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2227024382	IFAILDIPTGIYOI-NSHDSACASA-N	363.422	2.392	10	10	FECE	
CN(C)c1ccc(C=C2C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc1	2297352861	JIZMBVJUPZTAJI-UHFFFAOYSA-N	368.466	2.425	10	10	FECE	
CCOc1cc(C=C2C(=O)N(c3nc(C)cc(O)n3)N=C2C)ccc1O	2297617403	UGTAXJBYLNROGA-UHFFFAOYSA-N	354.366	2.401	10	10	FECE	
CC1(C)[C@H](NC(=O)C=Cc2ccc(N3CCOCC3)cc2)[C@H]2CCO[C@H]21	2297632298	ZXSHCYQVBYYEDL-MISYRCLQSA-N	356.466	2.466	10	10	FECE	
CN1CCc2cc(CN[C@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)ccc21	2355691137	BMXUNGIFTJZLNX-ZIFCJYIRSA-N	373.497	2.403	10	10	FECE	
CCCCC(=O)N(Cc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1	6349647	UULAGVRNRXNSLM-QGZVFWFLSA-N	352.500	2.459	10	10	FECE	
COC(=O)N1CCC(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)CC1	57446540	OHAFRMHULHBVPJ-UHFFFAOYSA-N	356.382	2.211	10	10	FECE	
Cc1nn(C)c(C)c1CCNC(=O)NCc1ccc2c(c1)CCCN2C	58559054	SCKSOJXHSBXGLI-UHFFFAOYSA-N	355.486	2.461	10	10	FECE	
CC(C)(C)OC(=O)N1CC2CC1(C(=O)N1CCc3cc(O)c(O)cc3C1)C2	2366908946	BCBNSKHRBIPPOU-UHFFFAOYSA-N	374.437	2.382	10	10	FECE	
CN(C)c1ccc(CNC(=O)C2CCN(Cc3nccn3C)CC2)cc1F	194893533	VJTWLATZLBYJSZ-UHFFFAOYSA-N	373.476	2.154	10	10	FECE	
CC(C)[C@@H]1CN(C)CCN1C(=O)/C=C\c1ccc(N2CCOCC2)cc1	255323153	OVBIUSPSURUWQC-NSDNCLLMSA-N	357.498	2.335	10	10	FECE	
COc1cnccc1[C@@H](C)NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	807177632	CDTNSYBYULCWAD-UONOGXRCSA-N	370.453	2.211	10	10	FECE	
Cc1cc(COCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)on1	801177328	OPCAKOBLGXDGBE-MRXNPFEDSA-N	360.410	2.413	10	10	FECE	
C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1csc(Cc2ccc(N)cc2)n1	817918199	WYBCDOQQTTWVQL-WCQYABFASA-N	358.467	2.042	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2ncon2)C1	576660350	VRWVOAXUVUDKQT-UHFFFAOYSA-N	367.453	2.449	10	10	FECE	
Cc1cnn(C)c1NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	824415607	IBZAIXRERDHMCF-UHFFFAOYSA-N	365.384	2.165	10	10	FECE	
COc1ccc(N2CCCN(C(=O)c3cnn(C4CC4)c3N)CC2)cc1	906352273	IOHIRLTWTYMUKO-UHFFFAOYSA-N	355.442	2.161	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4c(c3)CCO4)C2)cc1	849415919	HUSOUKHGYFVJAU-HNNXBMFYSA-N	374.462	2.187	10	10	FECE	
CCc1cc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)no1	740491885	OVCWDXSMCHTREW-UHFFFAOYSA-N	374.466	2.045	10	10	FECE	
C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)NCCc2ccc(N)cc2)C1	841955438	CAYYBZHFRPEZKH-CYBMUJFWSA-N	358.408	2.337	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@]1(CCO)CCOC1	840478962	KVLIFCINFUFPLE-JXFKEZNVSA-N	363.502	2.080	10	10	FECE	
COCc1cc(O)ccc1NS(=O)(=O)c1cn2c(n1)CCC[C@@H]2C	841677830	VSPGNBSHLUSPGH-NSHDSACASA-N	351.428	2.433	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)NCc3c(O)cccc3F)cn2)CCO1	914036263	ZDCSKEPMSCKHSL-ZDUSSCGKSA-N	374.416	2.151	10	10	FECE	
COC(=O)c1ccc(CC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1	855224449	GFYHROLMFWOEDR-KRWDZBQOSA-N	368.433	2.419	10	10	FECE	
COC(=O)/C(C)=C/CNC(=O)N1CCCN(c2ccc(OC)cc2)CC1	925028226	NWTPIQSYQORPIM-OQLLNIDSSA-N	361.442	2.036	10	10	FECE	
COC(=O)C[C@@H]1CN(Cc2c(O)c(C(=O)OC)cc3ccccc23)CCO1	751952215	CHAHXOOFICNIDK-CQSZACIVSA-N	373.405	2.096	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)NC[C@H](C(=O)O)C1CCC1	854236969	ZQAPVTHOWPTHMW-LBPRGKRZSA-N	371.231	2.455	10	10	FECE	
O=C(C[C@H]1CCOC1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	768543432	JHVKCIHZAWZJNK-LJQANCHMSA-N	357.498	2.261	10	10	FECE	
CN1CCCc2cc(CNC(=O)NC[C@@H]3CC4(CCOCC4)CO3)ccc21	869032534	MXZFMYZVCCTJGE-SFHVURJKSA-N	373.497	2.454	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC[C@@H]1CCC2(CCC2)O1	1119810562	RQUXZKCMZYLBNP-SFHVURJKSA-N	373.497	2.285	10	10	FECE	
C[C@H](N[C@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(N(C)C)cc1	783537272	WJJOFDIJPPARLN-YJBOKZPZSA-N	355.486	2.328	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CNC(=O)c1ccccc1Cl	1138152867	RNNDJQBRRDYNSE-NSHDSACASA-N	362.813	2.228	10	10	FECE	
COC(=O)C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccncc1	1143875883	XKXRODINQNZCFD-CQSZACIVSA-N	355.354	2.278	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1nc(Br)c2ccccn12	1304054148	GTHFFGKAUJOELK-UHFFFAOYSA-N	362.183	2.438	10	10	FECE	
CN(C)c1ncc(Br)c(C(=O)NCc2c(O)cccc2F)n1	1178413012	KMBFBJYMVJJVDT-UHFFFAOYSA-N	369.194	2.080	10	10	FECE	
Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC(N=[N+]=[N-])CC2)cn1	2124532931	AJJANZQIXJRGMJ-ZDUSSCGKSA-N	363.422	2.287	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@]2(CCOC2)Oc2ccccc21	1181749018	XTGKTSLMNGIKFR-QRWLVFNGSA-N	355.390	2.439	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3Cc4ccc([N+](=O)[O-])cc4C3)cc2N1	1252999912	GTJWFDWSHAHUDR-UHFFFAOYSA-N	356.294	2.354	10	10	FECE	
CCOCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1O	1297565755	AIIWHILYONTVAV-UHFFFAOYSA-N	356.430	2.057	10	10	FECE	
CN(Cc1ccc(N)cc1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1(O)CCC1	2136310010	IVSWDORQRWMNIC-OAHLLOKOSA-N	363.458	2.036	10	10	FECE	
CC(C)OCCN1CCC(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1	1635326868	KIVKWUYEITZZQQ-UHFFFAOYSA-N	361.446	2.468	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CC3(CCOCC3)CC[C@H]2CO)cc1	1596992669	SZPFYDGIRRCTGY-HNNXBMFYSA-N	360.414	2.243	10	10	FECE	
N#Cc1c[nH]c(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)c1	156357832	JQUHNVJKZRBNEG-UHFFFAOYSA-N	363.465	2.348	10	10	FECE	
C[C@H](C(=O)O)[C@H](C)C(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C	1866262715	ZDLHMFWMIAUEEM-HEHGZKQESA-N	358.442	2.049	10	10	FECE	
C[C@H](O)c1ccc(N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c(Br)c1	2145050187	PGYAIJDEURIATB-NURSFMCSSA-N	360.273	2.126	10	10	FECE	
O=S1(=O)CCC[C@@H]2CN(Cc3cc(Br)ccc3O)C[C@H]21	2145073533	ORDIDCWHFUKULV-QMTHXVAHSA-N	360.273	2.164	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CC[C@@H](O)c3ccccc32)=C[C@H]1O	2188063098	FHXNJCFSXIILGK-DJIMGWMZSA-N	374.437	2.041	10	10	FECE	
CC(C)(C)OC(=O)NCC1(F)CC(NC(=O)c2cccc(O)c2O)C1	2054399763	VTHYLOYOOUCGOA-UHFFFAOYSA-N	354.378	2.223	10	10	FECE	
CO[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2060615458	OMEKQWSPDDPEBG-AGIUHOORSA-N	353.423	2.312	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)C[C@H]1COCCN(C(=O)OC(C)(C)C)C1	2080213857	VECBQZFTCZXYLM-CYBMUJFWSA-N	355.439	2.419	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)CCOc2ccc(N)cc2)C1	2106235323	MVPXNJOSEGVZFV-AWEZNQCLSA-N	363.458	2.411	10	10	FECE	
CN1CCCc2cc(CN[C@@H]3COC[C@@H]3NC(=O)OC(C)(C)C)ccc21	2093581528	SIYPIKRINIMWJY-SJORKVTESA-N	361.486	2.451	10	10	FECE	
COc1ccc(N2C[C@H]3[C@@H](CO)N(C(=O)OC(C)(C)C)C[C@H]3C2)cc1F	2227307516	IFNZTQLGQXNAIH-XNRPHZJLSA-N	366.433	2.498	10	10	FECE	
Nc1ccc(NC(=O)CCCN2CCC(NC(=O)C(F)(F)F)CC2)cc1	2286105940	VAQDWUOYQRQSPY-UHFFFAOYSA-N	372.391	2.130	10	10	FECE	
CCOC(=O)c1ccc(-n2c(C)cc(C=C3NC(=O)NC3=O)c2C)cc1	2297306698	CBVIOULWOANZLY-UHFFFAOYSA-N	353.378	2.451	10	10	FECE	
CC(=O)N1CC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)C1	176283986	XSFJMBNQHPXIIQ-QUCCMNQESA-N	373.497	2.129	10	10	FECE	
COC(=O)c1ccc(CNC(=S)N(C(C)=O)c2ccc(N)cc2)cc1	243956610	RZKNUIYDIBAEOP-UHFFFAOYSA-N	357.435	2.483	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@@]3(O)C[C@H]4C[C@H]3N(C(=O)OC(C)(C)C)C4)ccc21	2163143671	IXFPRWIMSMEBKZ-RAXVHSSMSA-N	373.497	2.439	10	10	FECE	
COc1cccc(O)c1CN[C@@H]1CCN(C(=O)COc2ccccc2)C1	800898934	CSCMHRMTAHAYKH-OAHLLOKOSA-N	356.422	2.170	10	10	FECE	
CO[C@@H]1COCC[C@@H]1CC(=O)NCc1cccc(Br)c1O	296965170	YKRKVWGXDKLSRJ-ZWNOBZJWSA-N	358.232	2.213	10	10	FECE	
CCC(=O)N1CC[C@H](C(=O)NCc2cc(Br)ccc2O)C1	804734620	TUVJRQBONNNDDY-JTQLQIEISA-N	355.232	2.029	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(CCCC(=O)Nc3ccc(N)cc3)C[C@@H]21	2164047353	URVRJSIQZOVONP-VQFNDLOPSA-N	374.485	2.442	10	10	FECE	
C[C@H](OCC(=O)NCc1ccc(N2CCSCC2)cc1)c1nccn1C	805166712	QCDSWEFGCVMEJS-HNNXBMFYSA-N	374.510	2.367	10	10	FECE	
CCn1ccnc1CNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	823667951	QDUWPENLARGFTB-HNNXBMFYSA-N	357.458	2.237	10	10	FECE	
COc1ccc(N2CCC(NC(=O)[C@@H]3CCCN3C(=O)C(C)C)CC2)cc1	726563207	VKJHCUDMXNIPAQ-IBGZPJMESA-N	373.497	2.427	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@H](OC)C3CCC3)cc2F)CC1	826719215	HMRYKNGUVWCZTR-LJQANCHMSA-N	363.477	2.399	10	10	FECE	
Cc1c(C[C@@H](CN)CN(Cc2ccccc2O)C[C@H]2CCCO2)cnn1C	903906082	RMBVIVSOPAAGMY-FXAWDEMLSA-N	372.513	2.233	10	10	FECE	
COC[C@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(C)C	914241824	SXLIDSWRAMFLLD-INIZCTEOSA-N	367.465	2.380	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCCC1(CS(C)(=O)=O)CC1	852443957	PSAFGDIERUTZCV-UHFFFAOYSA-N	367.515	2.109	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc4nc(O)[nH]c4c3)C2)cc1	855230402	CYMYPWKNKNXZHC-CYBMUJFWSA-N	352.394	2.286	10	10	FECE	
Cc1cc(CCNC(=O)NC[C@@]2(O)CCOC2)c(C)n1-c1ccccc1	755052736	CQQWOTFTZDKKRW-FQEVSTJZSA-N	357.454	2.087	10	10	FECE	
COC[C@@](C)(O)CCNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C	861858602	PDYUBMWBBJMRDZ-FQEVSTJZSA-N	358.438	2.424	10	10	FECE	
COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NCc1ccc3cccnc3c1O)C2	862025094	NCRBVVRPKSMUHI-MAZHCROVSA-N	367.405	2.200	10	10	FECE	
COc1ccc(C(=O)NCCCC(=O)N2Cc3cccc(O)c3C2)cc1	871198282	FVFNOQARLVOACO-UHFFFAOYSA-N	354.406	2.453	10	10	FECE	
CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(O)c2C1	871206305	ZEGKASHLZZCKGV-OAHLLOKOSA-N	363.458	2.079	10	10	FECE	
CN(CC(F)F)C1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1	771150677	AODODMLFKTTZSH-UHFFFAOYSA-N	370.356	2.091	10	10	FECE	
CC(=O)c1cncc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1	888289673	ISSSUDFDMNDEEN-UHFFFAOYSA-N	357.385	2.190	10	10	FECE	
CCS(=O)(=O)Nc1ccccc1C(=O)NCc1c(O)cccc1F	1156170668	RIKYNQRCWYJODJ-UHFFFAOYSA-N	352.387	2.223	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2124516081	CORBXRFNPZWGHO-MGPQQGTHSA-N	367.450	2.417	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCC1CC1	2136260181	AHCXYIXYBSALMH-AWEZNQCLSA-N	364.442	2.450	10	10	FECE	
C[C@H]1CN(c2ccnc(C(=O)NCc3cc(O)ccc3O)c2)C[C@H](C)O1	1633599304	WTVXRIOZPNWVSW-STQMWFEESA-N	357.410	2.036	10	10	FECE	
CN1CCCc2cc(CNC(=O)c3cncc(N4CCCC4)n3)ccc21	1583627710	DQCDUGPMEXXVQX-UHFFFAOYSA-N	351.454	2.389	10	10	FECE	
Cc1cccc(CNC(=O)CO[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1O	2139742765	XHJSESHYMBDHHJ-OAHLLOKOSA-N	364.442	2.343	10	10	FECE	
COc1cccnc1C(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C	1866048683	AGWOTKHVOLTUAI-KRWDZBQOSA-N	365.437	2.409	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)OC(C)(C)C1	1880091249	UHMODSQBKHYBBH-ABHRYQDASA-N	368.474	2.103	10	10	FECE	
CC(C)(C)OC(=O)N1CCSC[C@@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2010405302	HNARMNDSVNHRHU-NWDGAFQWSA-N	355.464	2.498	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NCc2ccc(O)cc2O)CCO1	2036667411	MEHMNFIMHMHDQB-ZFWWWQNUSA-N	352.431	2.260	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)N1CC[C@H](N=[N+]=[N-])C1	2060610993	OBWYREISNQGKHN-RWMBFGLXSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(NC(=O)COc2ccc(N)cc2)C1	2106266452	VFIPILUWPJIOKD-BFUOFWGJSA-N	361.442	2.163	10	10	FECE	
CC1(CNC(=O)OC(C)(C)C)CN(CCC(=O)Nc2ccc(N)cc2)C1	2106768653	WVXNAOOJNZYLOG-UHFFFAOYSA-N	362.474	2.444	10	10	FECE	
COc1ccc(Br)c(CNCCCC[S@@](C)=O)c1O	2227738942	XXMNFVUYOGBZEN-LJQANCHMSA-N	350.278	2.412	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@]2(NCc3ccc(F)cc3O)CO[C@H]1C2	2255117397	LVRZPDJWOJDQNS-YEWWUXTCSA-N	352.406	2.446	10	10	FECE	
O=C1C(=CC2=Cc3ccccc3OC2)SC(=S)N1N1CCOCC1	2296594511	OLPXNUDEBZOPTQ-UHFFFAOYSA-N	360.460	2.454	10	10	FECE	
Cc1cc(=NC(=O)CCN2C(=O)C(=Cc3ccco3)SC2=S)[nH]o1	2297477486	YHSOTSHDSWJRAH-UHFFFAOYSA-N	363.420	2.228	10	10	FECE	
CC[C@H](O)CN1CCN(C(=O)NCc2ccc(N(CC)CC)cc2)CC1	184899283	XQUBSJXGGHCQAH-IBGZPJMESA-N	362.518	2.131	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CC(C)(C)c1cc(O)c(O)c(O)c1)C(=O)O	1951965691	JOCWCAXEFPINQB-SNVBAGLBSA-N	355.387	2.449	10	10	FECE	
N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCc1cc(Br)cs1	71308462	FNQOUGQELISGDJ-NSHDSACASA-N	371.256	2.108	10	10	FECE	
CCN(CC)C(=O)c1cnc(N2CCN(c3ccc(OC)cc3)CC2)nc1	243072706	IMBMKMDQAVAWKR-UHFFFAOYSA-N	369.469	2.294	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CC[C@@H](Cc3ccncc3)C2)cc1	368629809	BJEDXDCGLHAXIS-IBGZPJMESA-N	352.482	2.328	10	10	FECE	
Cc1ccc(CN(C)CC2(C)CS(=O)(=O)C2)c(O)c1Br	2380773661	CLDVVKKKTZRDMP-UHFFFAOYSA-N	362.289	2.330	10	10	FECE	
C[C@H](NC(=O)C(C)(C)C)C(=O)NCc1cc(Br)ccc1O	804739487	ZPLIAURMXINOAB-VIFPVBQESA-N	357.248	2.322	10	10	FECE	
COc1c(O)cccc1/C=C1/SC(=S)N(CCCC(=O)O)C1=O	810199982	RXWJTBAVVVMPSJ-DHZHZOJOSA-N	353.421	2.467	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)NCCCc2ncn(C)n2)cc1	827369665	IMIHYIAVSNGAQG-UHFFFAOYSA-N	358.490	2.436	10	10	FECE	
CCOc1cccc(CN2CCN(C(=O)c3cc(C)[nH]n3)C[C@H]2C)c1O	835073321	MBLGXHBROQJANB-CQSZACIVSA-N	358.442	2.169	10	10	FECE	
CCS(=O)(=O)c1ccccc1CCNC(=O)NCc1ccccc1O	915524823	JYZCMPFWAXCIRJ-UHFFFAOYSA-N	362.451	2.228	10	10	FECE	
COC1(C[C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C(=O)O)CCC1	844294854	NLGCNBYULWXEGC-AWEZNQCLSA-N	367.421	2.103	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)NC[C@]3(C)CCCCO3)cc2)CC1	924004762	AOHFLPCRPGQAGJ-FQEVSTJZSA-N	360.502	2.197	10	10	FECE	
C[C@H](NC(=O)N[C@@H](CC1CCOCC1)C(=O)O)c1ccc(N(C)C)cc1	929046504	WEPCJUDFUPAWJP-GUYCJALGSA-N	363.458	2.383	10	10	FECE	
COc1cc(C)c(C)cc1NC(=O)C(=O)NCc1cccc(OC)c1O	850378165	UWEDIJOXFGNHGZ-UHFFFAOYSA-N	358.394	2.281	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCN1C1CCCC1	859319690	SBGKCYZTBMFQKW-GOSISDBHSA-N	373.497	2.264	10	10	FECE	
C[C@@H](NC(=O)c1ccc2nnn(C)c2c1)c1ccc(N2CCOCC2)cc1	754169592	MNNGTXFWNULAEZ-CQSZACIVSA-N	365.437	2.296	10	10	FECE	
C[C@@H](NC(=O)/C=C\COC1CCOCC1)c1ccc(N2CCOCC2)cc1	865018171	HLRDLBLIROLKFA-BAHPRDJBSA-N	374.481	2.452	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3nc([C@@H]4C[C@H]4C)no3)C2)cc1	866011297	YMPGDXLGPGODFM-XJKCOSOUSA-N	356.426	2.458	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCO[C@@H]([C@@H](C)O)C2)cc1	862005353	ZGOZAHGNZNCOLG-OXQOHEQNSA-N	370.449	2.057	10	10	FECE	
Cc1cc(CC(=O)NCCn2cnccc2=O)c(C)n1-c1ccccc1	869103739	RGAOROMCNXIWKN-UHFFFAOYSA-N	350.422	2.010	10	10	FECE	
COc1ccc(N2CCCN(C(=O)NCc3noc(C4CC4)n3)CC2)cc1	763555893	YLUXORCDQVAYTL-UHFFFAOYSA-N	371.441	2.378	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Cn3ccc(C(F)F)n3)C2)cc1	862158834	LZFHLUPAPGZVEP-GFCCVEGCSA-N	350.369	2.224	10	10	FECE	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCCO1	771456371	KZLSDIQUXOUSLP-UHFFFAOYSA-N	354.409	2.032	10	10	FECE	
CC1(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC(F)(F)C1	1119531285	YIGNMBCAGJLZEX-UHFFFAOYSA-N	365.424	2.455	10	10	FECE	
C[C@H](NC(=O)C(=O)Nc1cnc(CC2CC2)nc1)c1ccc(N(C)C)cc1	793032720	HTHCVKPYWNFRSP-ZDUSSCGKSA-N	367.453	2.311	10	10	FECE	
C[C@H](NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C1)c1ccc(O)cc1O	2116204663	DFWZAHXGBQRYOM-WXRXAMBDSA-N	366.458	2.413	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCC[C@@H]3N(C)C)C2)cc1	1328413266	OSBYCPICADVHRI-IPELMVKDSA-N	360.502	2.446	10	10	FECE	
COc1ccc(CNC(=O)c2cn(CCc3ccccc3)nn2)c(O)c1	1296969146	ZATOHYIBZOWVCS-UHFFFAOYSA-N	352.394	2.165	10	10	FECE	
CCc1nnc(N2CCOCC2)n1Cc1ccc(N2CCSCC2)cc1	1614050693	NPBBZPASNMVNBK-UHFFFAOYSA-N	373.526	2.279	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2)cc1	1626614334	UUFSPZOYGDMODK-HNNXBMFYSA-N	351.366	2.162	10	10	FECE	
CN(Cc1ccccc1O)C(=O)c1cc2ncc(Br)cn2n1	1629954855	GWZDTVSCQHXTHF-UHFFFAOYSA-N	361.199	2.470	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CC[C@@](C(N)=O)(c3ccccc3)C2)cc1	1639194599	UXGNCOBMSIDPQZ-IBGZPJMESA-N	365.393	2.118	10	10	FECE	
CCCN(C(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccccc1F	1586318199	JINKSELBSWKEEX-UHFFFAOYSA-N	363.414	2.066	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)Cc2ccc(-n3cnnc3)cc2)c1	1595806244	DRIBHHQAOMORND-CYBMUJFWSA-N	352.394	2.401	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)NCc3ccccc3O)O2)C1	1179137845	CQIKPHWYOIOHRV-OAHLLOKOSA-N	362.426	2.177	10	10	FECE	
C[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)CCN1C(=O)OC(C)(C)C	1885160661	UPVKZEDJUGZSKI-LLVKDONJSA-N	366.414	2.275	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](NCc2cc3c(cc2O)OCO3)CCO1	2037785881	UNGTZSXUFLYGGV-GFCCVEGCSA-N	352.387	2.152	10	10	FECE	
CN(C(=O)CN1C[C@@H]2C[C@H]2[C@@H]1CNC(=O)OC(C)(C)C)c1ccc(N)cc1	2198986182	ZYXYWSSLPVYPFO-XKQJLSEDSA-N	374.485	2.077	10	10	FECE	
CN(C)CCN(CC(=O)N1CCC[C@@H](N=[N+]=[N-])C1)C(=O)OC(C)(C)C	2060614429	CHWZFNYWGUUZHS-CYBMUJFWSA-N	354.455	2.086	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2060638223	UMZJWPBJZNKXNH-FRRDWIJNSA-N	353.423	2.075	10	10	FECE	
COc1ccc(O)c(CN=c2nc(CNC(=O)OC(C)(C)C)[nH]s2)c1	2067324797	WSKRWQOMWRPCLW-UHFFFAOYSA-N	366.443	2.311	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CN(CC(=O)Nc1ccc(N)cc1)C2	2201358290	SOATVEGTIXEXRD-VLIAUNLRSA-N	374.485	2.444	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1c1cc2c(cc1N)OCCO2	2106881257	RNWZXXZNQCVJAH-ZJUUUORDSA-N	359.348	2.076	10	10	FECE	
CN1CCc2cc(N3C[C@@H]4CN(C(=O)OC(C)(C)C)[C@@H](CO)[C@H]4C3)ccc21	2235549147	IQBWZQBLYXYKSO-AYBZRNKSSA-N	373.497	2.343	10	10	FECE	
CN(C)c1ccc(C=C(C(=O)NC[C@@H]2CCCO2)n2ccccc2=O)cc1	2293381570	PECUVURELXHIHY-SFHVURJKSA-N	367.449	2.208	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@]2(C(=O)N3CCC[C@H]3CN=[N+]=[N-])CO[C@H]1C2	2334184382	WJPHOVMYJRVIAD-NEULZYRMSA-N	365.434	2.360	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2	2337779723	PPEMMXKIKMSSGT-UHFFFAOYSA-N	363.422	2.406	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCc2cc(O)c(O)cc2C1)C1CC1	2341194405	SJEVVYZZEPERKG-MRXNPFEDSA-N	362.426	2.286	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O	1349106202	AGUXBQFRWYRROL-UHFFFAOYSA-N	370.409	2.015	10	10	FECE	
COc1cc2c(cc1OC)/C(=C/C=C1\C(=O)NC(=O)N=C1O)NC(C)(C)C2	38162715	ALIJYAWMJPWNRF-MLPAPPSSSA-N	371.393	2.102	10	10	FECE	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H](C(C)C)N1CCOCC1	41870858	ZDKFVHGGHZWDPM-KRWDZBQOSA-N	370.453	2.337	10	10	FECE	
O=S(=O)(c1ccc(F)cc1)N1CCc2cc(N3CCOCC3)ccc21	41122124	UQTSTLICQAQAOP-UHFFFAOYSA-N	362.426	2.414	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(=O)N[C@H](C)c3ccccc3)CC2)cc1	244257617	WKSSJBLAEULVTN-MRXNPFEDSA-N	367.449	2.221	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)C2	819195883	LZPOZZJVBZZCAD-LZWOXQAQSA-N	363.433	2.375	10	10	FECE	
CC1(C)OC[C@@H]2C[C@]21C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	828155934	CZISXWHDRCVDMS-LAUBAEHRSA-N	358.482	2.327	10	10	FECE	
CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)cc2C)[C@H]1n1cccn1	836494422	HYOZTPVLNKXDES-GUDVDZBRSA-N	371.485	2.475	10	10	FECE	
O=C(O)/C=C\c1ccc(N2CCC(Cn3ccnn3)CC2)c([N+](=O)[O-])c1	844214492	GFAYLUJQXVNUSO-RQOWECAXSA-N	357.370	2.201	10	10	FECE	
CN1CC[C@H](C(=O)NCc2cc(Cl)ccc2O)[C@@H](c2cnn(C)c2)C1	849605803	JXJAJWWGDZHYTB-JKSUJKDBSA-N	362.861	2.131	10	10	FECE	
Cc1cc(C(=O)NCC2CNC2)c(C)n1-c1ccc(Br)cn1	843452919	CUWONUKFNJCRJU-UHFFFAOYSA-N	363.259	2.201	10	10	FECE	
C[C@H](NCC[C@H]1CNC(=O)C1)c1ccc(N2CCOCC2)cc1Cl	926984794	HXKUBCPAOJOSGE-UONOGXRCSA-N	351.878	2.353	10	10	FECE	
C[C@@H](NC(=O)NC[C@H]1CCN1C1CCOCC1)c1ccc(N(C)C)cc1	922055940	UILPTHDAGMDPRO-DNVCBOLYSA-N	360.502	2.366	10	10	FECE	
O=C1N[C@H](CC2CCOCC2)C(=O)N1Cc1ccc(N2CC=CC2)cc1	924686925	UDFVTQFKRZABFJ-GOSISDBHSA-N	355.438	2.300	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCC([C@H](C)CO)CC3)C2)cc1	854297325	PRXMJJVSOLFTRX-WBVHZDCISA-N	361.486	2.324	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H](C(C)C)N3CCCC3=O)C2)cc1	855229622	KPGPGRSIZMGQAY-HNAYVOBHSA-N	359.470	2.037	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3ccc(F)cc3C)C2)cc1	850536413	KEEVQMCLBMCNHQ-OAHLLOKOSA-N	371.412	2.476	10	10	FECE	
COC(=O)CCN(Cc1ccccc1)Cc1cc2c(cc1O)OC[C@H]2O	768443919	JCPONLJIWLJMQH-GOSISDBHSA-N	357.406	2.383	10	10	FECE	
COc1ccc(N2CC[C@@H](Nc3c4c(nc5ncnn35)CCC4)C2)cc1	865932360	STFSKMSFZPSMPT-CYBMUJFWSA-N	350.426	2.312	10	10	FECE	
COC(=O)/C=C/c1ccc(N(C)Cc2cnc(N(C)C)nc2)c([N+](=O)[O-])c1	779910901	SUYIVWFQOGEDME-SOFGYWHQSA-N	371.397	2.273	10	10	FECE	
CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1Cc2cccc(O)c2C1	871203686	DQDRKNGRLNTBAC-ZDUSSCGKSA-N	350.415	2.164	10	10	FECE	
CCOc1cccc(NC(=S)NCc2ncccc2S(C)(=O)=O)c1	782426769	DXTMFVSHCQEPHZ-UHFFFAOYSA-N	365.480	2.370	10	10	FECE	
Cc1ccc(C(=O)N[C@@H](C(=O)Nc2cn[nH]c2)c2ccccc2)c(O)c1O	780995865	UJYLBPSMAUYTNN-OAHLLOKOSA-N	366.377	2.239	10	10	FECE	
COC(=O)[C@@H](O)C1CCN(Cc2cc(C)cc(Br)c2O)CC1	781906672	AHBZVZFCHVVWIX-HNNXBMFYSA-N	372.259	2.209	10	10	FECE	
COC(=O)[C@H](C[C@H]1CCCO1)NCc1ccc(Br)cc1O	895867386	WTOAVIHDLYXXRX-OLZOCXBDSA-N	358.232	2.355	10	10	FECE	
CCCNC(=O)Nc1ccc(CC(=O)NCc2cc(O)ccc2O)cc1	1303223287	IXIVVHCFIRLIOB-UHFFFAOYSA-N	357.410	2.488	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)N3CCCC3(C)C)C2)cc1	1325941219	YRERDRPGUDFEGX-HNNXBMFYSA-N	359.470	2.039	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@H](NCc3ccc(F)c(F)c3O)CO[C@H]2C1	2121658735	WPBRLRAZPOOFEE-YUTCNCBUSA-N	370.396	2.394	10	10	FECE	
O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCC(=O)N1CCCO1	1186814884	OSPIGCHWYVUMOP-UHFFFAOYSA-N	355.350	2.402	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(O)c(O)c(O)c2)[C@@H]2CC[C@H]21	2132418290	IVHLGZRGGPVJGB-VXGBXAGGSA-N	364.398	2.027	10	10	FECE	
CC(C)C[C@H](CNC(=O)c1cc(O)c(O)c(O)c1)NC(=O)OC(C)(C)C	2132408280	VOXWINDLRZLVGI-GFCCVEGCSA-N	368.430	2.473	10	10	FECE	
COc1ccc(CNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)c(O)c1	2133751425	LSRNVJPYEZGBAN-UHFFFAOYSA-N	366.458	2.252	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@]3([C@@H]4CCCCO4)CCCO3)CC2)cc1	1356446965	QTFHJVFRFFVKEA-PZJWPPBQSA-N	374.481	2.462	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)[C@@]3(C)C[C@@H](O)CN3C)c2C)c1	1454625637	QBHHBPKVAGQCEH-TZIWHRDSSA-N	355.482	2.474	10	10	FECE	
CCc1ccccc1-n1cc(C(=O)NCc2cccc(OC)c2O)nn1	1294925906	URFZMGVUONQPDH-UHFFFAOYSA-N	352.394	2.474	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCNc3ccccc32)=C[C@H]1O	2136312591	RNPWURXOUGFDCR-GDBMZVCRSA-N	359.426	2.029	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCCOc1ccc(C(F)(F)F)cn1	1622862945	XZBVPQWLJHSHKV-UHFFFAOYSA-N	356.300	2.249	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)c2ccnn2CCN(C)C)cc1F	1628769789	KDPRSZNQGRROQD-UHFFFAOYSA-N	361.465	2.360	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1ccc2nc(N3CCOCC3)oc2c1	1636018948	ZZNABNAARNEFRM-UHFFFAOYSA-N	369.377	2.257	10	10	FECE	
O=C(NC[C@H](O)c1ccccc1Br)c1cccc(O)c1O	1557012517	MLIIVWLJLJYZCX-ZDUSSCGKSA-N	352.184	2.324	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H](CO)CN1CCCC1	1638122398	SSFGXNKPNDGXKC-SFHVURJKSA-N	369.465	2.093	10	10	FECE	
COc1cc(N2CC(=O)N(C(C)C)C(C)(C)C2)c([N+](=O)[O-])cc1OC	1639548804	SZJNTIDVGBOZQZ-UHFFFAOYSA-N	351.403	2.448	10	10	FECE	
Cc1nc(NCc2ccc(N3CCC(C(N)=O)CC3)cc2)ncc1[N+](=O)[O-]	1640419074	WOJQVEJUFGEZSN-UHFFFAOYSA-N	370.413	2.007	10	10	FECE	
CC(C)(C)OC(=O)NCc1cc(C(=O)NCc2ccc(O)cc2O)ccn1	1570462185	HXEIVOOAVYRNOU-UHFFFAOYSA-N	373.409	2.448	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1	1652625383	DIOYYGHGTVGTLQ-HNNXBMFYSA-N	366.417	2.256	10	10	FECE	
COc1cccnc1C(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C	1866048685	AGWOTKHVOLTUAI-QGZVFWFLSA-N	365.437	2.409	10	10	FECE	
O=C(N[C@H]1CC[C@@H]1NC(=O)c1cccc(O)c1O)OCc1ccccc1	1982316711	FFNMRANKCDFURF-GJZGRUSLSA-N	356.378	2.285	10	10	FECE	
C[C@H](N[C@@H]1[C@H](NC(=O)OC(C)(C)C)[C@@H]2CCO[C@H]21)c1ccc(O)cc1O	311291648	AZMWUFUFUCPWFZ-OJULIGJTSA-N	364.442	2.429	10	10	FECE	
CN1C(=O)O[C@H]2CN(Cc3cc(Cl)cc(Br)c3O)C[C@@H]21	2176932311	FGBYKQHSBCQXAE-QWRGUYRKSA-N	361.623	2.443	10	10	FECE	
C[C@@]1(C(=O)O)CN(Cc2cc(Cl)cc(Br)c2O)CCO1	708106057	QJEZJSHZCZBVBY-ZDUSSCGKSA-N	364.623	2.484	10	10	FECE	
COC(=O)[C@@H](NCCN=[N+]=[N-])c1snc(OC)c1Br	690066196	JGWRKJMRWPWARR-LURJTMIESA-N	350.198	2.028	10	10	FECE	
CNCc1ccc(N(C)CC(C)(C)S(C)(=O)=O)c(Br)c1	713967112	SRIGMENLXVDQIW-UHFFFAOYSA-N	363.321	2.428	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](CF)(NC(=O)c2ccc(O)c(O)c2)C1	2054419499	DYUPYYSXPNSWGA-QGZVFWFLSA-N	354.378	2.177	10	10	FECE	
C[C@@H]1COC[C@H](C(=O)N2CCC(N=[N+]=[N-])CC2)N1C(=O)OC(C)(C)C	2060621167	KQOLLNGDGXAJNI-DGCLKSJQSA-N	353.423	2.312	10	10	FECE	
CCOC1(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CN(C(=O)OC(C)(C)C)C1	2060615600	PWEXHLGZXLCTDZ-GFCCVEGCSA-N	353.423	2.171	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CO1	2060609496	WMHVEZRGWQHEST-JHJVBQTASA-N	353.423	2.170	10	10	FECE	
CCN(CCN(C)C[C@H](O)COc1ccc(N)cc1)C(=O)OC(C)(C)C	2106649446	PXYKVJQKFNKUPC-INIZCTEOSA-N	367.490	2.197	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(CC(=O)Nc2ccc(N)cc2)C1	2106760072	LKKSZWUDKIWLOW-XJKSGUPXSA-N	362.474	2.442	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2218737382	HBOKLNZZXAAWQR-WQGACYEGSA-N	353.423	2.096	10	10	FECE	
COCC[C@@H](CNC(=O)CCc1ccc(N)cc1)NC(=O)OC(C)(C)C	2225571844	RFAHHIRYTDKCFQ-INIZCTEOSA-N	365.474	2.247	10	10	FECE	
Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-]	2225791888	IFUISVDTVPWUBW-NWDGAFQWSA-N	363.422	2.406	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(CNCc2cccc(O)c2O)C1	2229487550	WEEGLNJYNMGBJI-IFXJQAMLSA-N	364.442	2.213	10	10	FECE	
CCOC(=O)CN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S	2297465494	OSLNUVWDSSSRSE-UHFFFAOYSA-N	351.405	2.180	10	10	FECE	
CC(C)[C@@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1	1341061078	XMBDCSSATUUFKK-SJLPKXTDSA-N	373.497	2.205	10	10	FECE	
CN1C[C@@H]2[C@@H](CC[C@H]2NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1	1346790167	CNCTYKOGOOVVMJ-DFQSSKMNSA-N	372.513	2.005	10	10	FECE	
Cc1cc(C(=O)N2CCS(=O)(=O)[C@H](C)C2)c(C)n1-c1ccc(F)cc1	121879095	PBEUCNMVZUBFLF-CYBMUJFWSA-N	364.442	2.492	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc(-n4cncn4)cc3)CC2)cc1	138240927	CKKQXLLZRYSFLR-UHFFFAOYSA-N	363.421	2.238	10	10	FECE	
COc1cccc(CNC(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1O	266858129	RQMWZMUNQUTPEI-HNNXBMFYSA-N	355.394	2.006	10	10	FECE	
Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)/C=C/c1ccc(O)c(O)c1	367932944	RPHABBPYSJFESG-KEDPEKRHSA-N	357.410	2.061	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1cnc(C)s1	285549323	QNQMTOQBPRLZAA-UHFFFAOYSA-N	360.483	2.182	10	10	FECE	
CC(=O)N1CC[C@](C)(C(=O)NCc2cc(Br)ccc2O)C1	804736154	PBFFKDVUDLFUBR-HNNXBMFYSA-N	355.232	2.029	10	10	FECE	
CCN1CCN(c2ccc(CNCc3cn4cccnc4n3)cc2F)CC1	298560594	VVIBAUOUZMPHLW-UHFFFAOYSA-N	368.460	2.300	10	10	FECE	
NC(=O)[C@H]1CCC[C@@H](C(=O)NCc2cc(Br)ccc2O)C1	804735541	CVYOMJCBPGERMK-VHSXEESVSA-N	355.232	2.063	10	10	FECE	
CN(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)cn1	811822880	JQNFEISPFXGBEM-UHFFFAOYSA-N	361.452	2.467	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3CC4(CCOCC4)C3)C2)cc1	824681962	SIJSHUUYWVHMNX-MRXNPFEDSA-N	359.470	2.344	10	10	FECE	
Cn1cc(/C=C2/OCCn3c2nc(Br)c3C=O)c(Cl)n1	901574397	FIJMCPLGHGZJMF-RUDMXATFSA-N	357.595	2.373	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc2c([nH]1)CCOC2	837427876	ZQNFEXPSYDXNFT-UHFFFAOYSA-N	369.465	2.226	10	10	FECE	
O=S(=O)(c1ccccc1)N1CC[C@H](N[C@H]2CCc3cccc(O)c32)C1	834803280	OWQPUEBVCSTLTN-RDJZCZTQSA-N	358.463	2.432	10	10	FECE	
O=C(NCc1ccc(CN2CCOCC2)cc1)NCc1ccccc1O	748462594	FPNBPFPGVCHIFR-UHFFFAOYSA-N	355.438	2.224	10	10	FECE	
CCN1CCN(c2ccc(CN[C@@H]3CCC3(OC)OC)cc2F)CC1	924995896	KAKBUTMDXQBYFQ-GOSISDBHSA-N	351.466	2.209	10	10	FECE	
Fc1cc(CNC[C@H]2CCC3(CCOCC3)O2)ccc1N1CCOCC1	922807708	DOMTYBUAYAAGLW-QGZVFWFLSA-N	364.461	2.480	10	10	FECE	
CN1CCN(c2ccc(CNC[C@H]3c4ccccc4C(=O)N3C)cc2)CC1	858282955	AOOCNXAPRDIWLB-NRFANRHFSA-N	364.493	2.355	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)NCCN2C[C@H]3CCCCN3C2=O)c1	850562830	PLPPCEPKXHURDW-DZGCQCFKSA-N	361.442	2.120	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccn(CC(F)F)n3)C2)cc1	855223229	DGWWUERELKXOPO-GFCCVEGCSA-N	350.369	2.166	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCc4nc(C5CC5)ncc4C3)cc2N1	858767812	DSJAELIKPGJKLR-UHFFFAOYSA-N	367.365	2.156	10	10	FECE	
CCOC[C@H]1CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CCO1	858762492	ISFCQOXBSZGPOR-HZRUHFOJSA-N	350.371	2.023	10	10	FECE	
COC[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1	862127858	SSPRQZFGPAJSQQ-RBUKOAKNSA-N	370.449	2.437	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H](C)c3cn[nH]c3)CC2)c(OC)c1	868446289	DQGHERDNINFKMX-ZDUSSCGKSA-N	359.430	2.020	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)N[C@@H]1C[C@H]1c1ccccc1	1117371269	MYDGGWBXMJMKEO-UONOGXRCSA-N	361.492	2.414	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[C@@H](C(C)(C)C)[C@@H](O)C1	779206543	LTYOZYGISWFRID-MOPGFXCFSA-N	361.530	2.440	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cnc(C4CC4)o3)cc2)C1	1125257582	MBHMAKFWHAKALO-HNNXBMFYSA-N	368.437	2.184	10	10	FECE	
COc1cc(O)c(CNCc2ncn(Cc3cccc(F)c3)n2)cc1OC	783716960	IWNRMGGDSVCPDC-UHFFFAOYSA-N	372.400	2.478	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCCN(C(C)(C)C)C3=O)C2)cc1	898580175	DEPUEDLCKYEPTM-CRAIPNDOSA-N	373.497	2.427	10	10	FECE	
CCCCN(CC(=O)N[C@H](C(=O)OC)C(C)C)Cc1ccccc1O	1169754844	QCYYGYJOQOWXNC-SFHVURJKSA-N	350.459	2.308	10	10	FECE	
CO[C@]1(Cn2c(C3CC3)nnc2N(C)Cc2ccccc2O)CCOC1	1315275677	HCMASTYVLCKSSF-IBGZPJMESA-N	358.442	2.303	10	10	FECE	
Cn1nc(C(F)(F)F)c2cc(C(=O)NCc3c(O)cccc3O)cnc21	1178917074	ITTDQRVQEBREOO-UHFFFAOYSA-N	366.299	2.328	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H](NC(=O)OC(C)(C)C)C1(O)CCC1	2131451781	QMRODHXJPXKFEY-HNNXBMFYSA-N	364.442	2.159	10	10	FECE	
Cc1cc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc(C)c1O	1901883923	ZWZROLBXXHOPIV-UHFFFAOYSA-N	374.418	2.047	10	10	FECE	
CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)NCc2ccc(O)c(O)c2)CO1	1445904818	YVJZNYJRXKRPQO-UONOGXRCSA-N	365.426	2.241	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CC1(F)F	2136241015	TYDUMZVPSVTIOO-GXFFZTMASA-N	372.368	2.057	10	10	FECE	
NS(=O)(=O)c1ccc(NC2=NC(=O)/C(=C/c3ccccc3)S2)cc1	1093396	DNOTZRLHOVNCJM-UVTDQMKNSA-N	359.432	2.416	10	10	FECE	
C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C1(S(C)(=O)=O)CC1	1627287110	HPAXUIWSIROQOM-QMMMGPOBSA-N	355.437	2.008	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCc2nc[nH]c2[C@H]1c1cccnc1	1627528508	VNSIXBIOMOLUBM-RDBXKPKDSA-N	362.389	2.403	10	10	FECE	
C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)N1c2ccccc2C[C@H]1C	1624282351	BMTYRRSBIOOJOI-OLZOCXBDSA-N	354.406	2.123	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cccc(NC(N)=O)c1	1557114131	IWXHESKNGDTQIW-UHFFFAOYSA-N	371.393	2.088	10	10	FECE	
COc1ccc(-c2cc(C(=O)NCc3cc(O)ccc3O)n[nH]2)cc1OC	1637126230	PGPNYIZCPBDINN-UHFFFAOYSA-N	369.377	2.435	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CCCC2)n1Cc1cnnn1C	1747750886	ZXDRXSXTFXPHTL-UHFFFAOYSA-N	367.457	2.455	10	10	FECE	
Cc1cccc(CNc2c(O)nc(=O)n(Cc3ccccc3)c2N)c1O	2139760023	MYTGLUDIPRWULS-UHFFFAOYSA-N	352.394	2.206	10	10	FECE	
O=C(O)[C@H](Cc1cnc[nH]1)N1C(=O)/C(=C\c2ccccc2)SC1=S	1858587364	XMKOZRNKYYKZFU-DTCSVVGVSA-N	359.432	2.307	10	10	FECE	
Cc1c(OCC(=O)N2CCC(C)CC2)c(=O)ccn1Cc1ccc(N)cc1	1857917668	FNHAUJQMEDSTAQ-UHFFFAOYSA-N	369.465	2.425	10	10	FECE	
C[C@H]1C[C@@H](CNCc2cc(Br)ccc2O)CCS1(=O)=O	1967902240	RDVUCPJKSOLGFL-QWRGUYRKSA-N	362.289	2.458	10	10	FECE	
CN(C(=O)CN1C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1)c1ccc(N)cc1	2188890950	RFQGBVGSOSIHMG-PBHICJAKSA-N	374.485	2.173	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NCc2cccc(F)c2O)[C@H](CO)C1	2052711400	IZOWEQHTIYIPNV-DZGCQCFKSA-N	354.422	2.239	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](NCc3cccc(F)c3O)[C@H]2C1	2057954310	RUQMFUAJACVYFO-SNPRPXQTSA-N	352.406	2.255	10	10	FECE	
O=C(c1cccc(O)c1O)N1CC[C@H]2OCCN(Cc3ccccc3)[C@H]2C1	2185523098	UJULPSQREFZUCA-PKOBYXMFSA-N	368.433	2.213	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C	2106677123	FFYJXIUHDWWJTC-VBNZEHGJSA-N	360.458	2.289	10	10	FECE	
O=C(NN1C(=O)C(=Cc2ccncc2)SC1=S)c1cccc(O)c1	2293031163	ALBMACMTSGILHE-UHFFFAOYSA-N	357.416	2.333	10	10	FECE	
CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNCCN1CCOCC1	2296466020	AILSOHJPCWXRQW-UHFFFAOYSA-N	360.433	2.134	10	10	FECE	
COc1cccc2c1OCC(C=C1SC(N3CCOCC3)=NC1=O)=C2	2314450727	NVJZTTNHJXJKRF-UHFFFAOYSA-N	358.419	2.317	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NCc3ccc(O)cc3O)CO[C@@H]1C2	2312835924	IZQOKFQZLCSCRS-SIIHOXLZSA-N	350.415	2.012	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1(C)C	2352420969	KEEYWZQAMZBHJQ-CYBMUJFWSA-N	366.414	2.321	10	10	FECE	
COc1ccc(N(CC(=O)NCCCN2CCCC2=O)[C@@H](C)C2CC2)cc1	111236632	WEDPWKISVQDUQS-INIZCTEOSA-N	373.497	2.429	10	10	FECE	
COCCCCS(=O)(=O)NC1CCN(c2ccc(OC)cc2)CC1	184309280	WLPOKKBPXHMYTJ-UHFFFAOYSA-N	356.488	2.010	10	10	FECE	
C[C@@H]1CN(Cc2ccccc2)CCN1c1ccc2c(c1)N(C)C(=O)[C@@H]2N	382692138	HZPGBJYWLJJEEA-FOIQADDNSA-N	350.466	2.374	10	10	FECE	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCc2nc[nH]c2C1	377988353	PENQVSJDBUWRIE-GFCCVEGCSA-N	360.801	2.090	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccccc1NS(C)(=O)=O	808093039	FLTUAMFTRNDKDX-UHFFFAOYSA-N	369.439	2.179	10	10	FECE	
CCc1nc(CNC(=O)C(=O)NCCCSc2nccs2)cs1	805192450	GDTHODXBDDEEJF-UHFFFAOYSA-N	370.525	2.077	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)N3C[C@H](C)CC[C@H]3C)C2)cc1	824980582	GQZDGXWXFPQGBZ-BRWVUGGUSA-N	373.497	2.285	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)N[C@@H]3CC[C@H]4C[C@H]4C3)CC2)cc1	825795155	HNSFAXAXGTWVMK-OKZBNKHCSA-N	372.513	2.305	10	10	FECE	
Cc1cc(CC(=O)N2CCN(CCO)[C@H](C)C2)c(C)n1-c1ccccc1	832548550	VZILSDPJGZFBIJ-QGZVFWFLSA-N	355.482	2.162	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1	738459406	GPOVRJRKYQATQU-ABSDTBQOSA-N	372.513	2.305	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1F	838029901	RYIKVJMCMZJYCM-RISCZKNCSA-N	363.355	2.346	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCC(c3nc(O)n[nH]3)CC2)cc1	914254726	RUDHJSAQMDGVCZ-UHFFFAOYSA-N	372.473	2.446	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCCCc3c[nH]nc3C)C2)cc1	849224355	DKUUUPDQAKXCPA-MRXNPFEDSA-N	357.458	2.237	10	10	FECE	
CC(C)(C)OC(=O)[C@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)C1CC1	849953570	KVWVGQRBPPYEQV-HNNXBMFYSA-N	350.367	2.192	10	10	FECE	
COc1ccccc1[C@@H]1CNCCN1Cc1ccc([N+](=O)[O-])c(OC)c1O	843113255	QGTRGGLHFYLNFT-INIZCTEOSA-N	373.409	2.464	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@H](n4cccn4)C3)C2)cc1	852449629	VDRNQHSPCVBHAO-WBVHZDCISA-N	355.442	2.127	10	10	FECE	
O=C1N[C@@H](c2ccc(F)c(F)c2O)Nc2ccc(N3CCOCC3)cc21	864372094	GVNRJZYOENBRHY-KRWDZBQOSA-N	361.348	2.361	10	10	FECE	
C[C@@]1(C(F)(F)F)CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCO1	866158159	NSMJJPICLLWBEC-ZDUSSCGKSA-N	361.276	2.083	10	10	FECE	
COC(=O)[C@@H](C[C@@H]1CCCOC1)NCc1cc(Cl)cc([N+](=O)[O-])c1O	862516661	WPENEWSLPCWHBQ-GXFFZTMASA-N	372.805	2.402	10	10	FECE	
CCO[C@H](C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C1CCOCC1	869230186	GLJSOCBPUKQHIA-LPHOPBHVSA-N	362.470	2.222	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CC[C@@H]3CN(C)C[C@H]32)cc1	1123801185	BRNWHSBWRLOZJU-ATZDWAIDSA-N	360.502	2.113	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NC[C@@H](O)c1cccc(Br)c1	1138764675	NSDJBUKNYCUFGX-OAHLLOKOSA-N	366.211	2.253	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC2(CN(Cc3ccccc3)C2)C1	706201212	VQRMMRBVASQFAG-INIZCTEOSA-N	350.466	2.414	10	10	FECE	
NS(=O)(=O)c1ccc(NCc2c(O)cccc2Br)cc1	706852182	WDMNOCMKNKKIHA-UHFFFAOYSA-N	357.229	2.414	10	10	FECE	
CN1CCN(c2ccc(CN3CC(C)(C)O[C@]4(CCOC4)C3)cc2)CC1	793364239	AQIJXOGSLQMRBQ-OAQYLSRUSA-N	359.514	2.208	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1n[nH]c(C2CC2)c1Br	1153884398	DIIPQNYEQNHORW-UHFFFAOYSA-N	352.188	2.391	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCC[C@H](CN=[N+]=[N-])C2)C1	2124532024	IDOOBXONWOJIPA-CXAGYDPISA-N	367.450	2.297	10	10	FECE	
CN(CC1(NC(=O)OC(C)(C)C)CC1)c1cc2c(cc1N)OCC(=O)N2	2121644552	MCYILJFJSBGECL-UHFFFAOYSA-N	362.430	2.093	10	10	FECE	
COc1cccc(F)c1CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	1341252280	UCANBOZNTKIZBQ-CYBMUJFWSA-N	373.428	2.394	10	10	FECE	
CN(CCC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1cc(O)c(O)c(O)c1	2132406438	IEFHLRNCMVODNK-UHFFFAOYSA-N	366.414	2.132	10	10	FECE	
CSc1cccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)n1	1438904976	VZNAIAGQWILVES-UHFFFAOYSA-N	356.495	2.485	10	10	FECE	
C[C@@H](CO)N(Cc1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	1914214219	QOEKZYUWIXFDFY-LBPRGKRZSA-N	357.366	2.313	10	10	FECE	
CN1CCN(c2ccc(CN3C[C@@H]4[C@H]5CC[C@@H](NC5)[C@H]4C3)cc2F)CC1	1351679263	LTRIJFNDIYLGAP-HLNWXESRSA-N	358.505	2.007	10	10	FECE	
CCOCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCN(CC)C1	1516460652	GUABSDSCGCHTOA-INIZCTEOSA-N	373.501	2.498	10	10	FECE	
COC(=O)C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(OC)cc1	1441041817	WZCLAQLLYNXWHD-HNNXBMFYSA-N	359.378	2.070	10	10	FECE	
CC(=O)NCCN(Cc1ccc(C)s1)C(=O)Cc1ccc(O)c(O)c1	1467389137	AQWAZYQWDBPBNY-UHFFFAOYSA-N	362.451	2.175	10	10	FECE	
CCCN/C(C)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1CC(=O)OC	205941376	JGKRRJAUGTWREI-LFIBNONCSA-N	360.370	2.134	10	10	FECE	
Cc1c(Br)cnc(O)c1NC(=O)c1cc(O)c(O)c(O)c1	1865876584	UONQRFJFRWPLQM-UHFFFAOYSA-N	355.144	2.227	10	10	FECE	
Nc1ccc(OCCCN2CCC(NC(=O)c3ccncc3)CC2)cc1	586047259	LMTPCCLNGATBLC-UHFFFAOYSA-N	354.454	2.327	10	10	FECE	
CC(C)(C)OC(=O)NCC12COC(C(=O)NCC3(CN=[N+]=[N-])CC3)(C1)C2	2142246396	PWMRPMVDWAOBNQ-UHFFFAOYSA-N	365.434	2.267	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC[C@H](N=[N+]=[N-])C2)C[C@@H]2OCC[C@@H]21	2060611361	SEEQSDPFCASNBA-CYDGBPFRSA-N	351.407	2.065	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN([C@H](CN)c2ccc(N(C)C)cc2)C1	2194911365	XCOUSXBLKSNZIR-XNRPHZJLSA-N	372.435	2.141	10	10	FECE	
CC(C)(C)OC(=O)N1CC=C[C@@H](NC(=O)CCOc2ccc(N)cc2)C1	2108851371	NSKSSLHSORPFJD-OAHLLOKOSA-N	361.442	2.329	10	10	FECE	
COC[C@@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CCCCN1C(=O)OC(C)(C)C	2112569307	INSODSACLVGKCZ-PJIJBLCYSA-N	368.474	2.058	10	10	FECE	
CS(=O)(=O)CCC1CC(NCc2cccc(Br)c2O)C1	2233935593	UGHYNTDXYIJZNR-UHFFFAOYSA-N	362.289	2.458	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(C)OC[C@H]1CC(=O)C(=O)C[C@H]1C[C@H](N)C1	2224735602	CITIFOZHXJPCGO-MGPQQGTHSA-N	368.474	2.057	10	10	FECE	
COc1ccc(Br)c(CN2C[C@@H](N)[C@@H](C(F)F)C2)c1O	2236047616	YDCQLDKZPJPPJV-WCBMZHEXSA-N	351.191	2.188	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)N3CC[C@@H](N=[N+]=[N-])C3)c2C1	2277443521	PUIUJUSPXFKNEC-SNVBAGLBSA-N	361.406	2.228	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC(C)(C)[C@@H]1C(=O)N1CC[C@@H](N=[N+]=[N-])C1	2253907688	VZFOYZJQCXRFBH-NEPJUHHUSA-N	353.423	2.312	10	10	FECE	
Cc1cc(=NC(=O)CN2C(=O)C(=Cc3cccs3)SC2=S)[nH]o1	2296882536	YMAGQMNLWLNKDN-UHFFFAOYSA-N	365.461	2.306	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@]2(C(=O)NCCc3ccc(O)c(O)c3)C[C@H]12	2331208786	GPFRJFAIRYLMQD-QHRIQVFBSA-N	362.426	2.060	10	10	FECE	
COc1ccc(CN2CCc3c(cccc3NS(C)(=O)=O)C2)c(O)c1	179420477	SRBGORIOCKCLTG-UHFFFAOYSA-N	362.451	2.331	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](C)c3nc(C)cs3)nc12	184151385	IJLHMNQOCYZZNM-SNVBAGLBSA-N	361.427	2.227	10	10	FECE	
CC[C@H](Nc1cnn(CC(=O)NCCOC)c1)c1ccc(N(C)C)cc1	180103954	UZVFQDNLKKTVJR-SFHVURJKSA-N	359.474	2.275	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)N(C)[C@@H]3CCOC3)cc2F)C[C@@H](C)O1	264442778	WXEDOLXWSSGXTG-IJEWVQPXSA-N	365.449	2.370	10	10	FECE	
C[C@H](OCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1nccn1C	805170108	AHAFWGNZTYNHFH-CVEARBPZSA-N	372.469	2.212	10	10	FECE	
COc1cc(N2CCN(C(=O)NCCCCF)CC2)cc(OC)c1OC	812928585	AFRSLBPIYSGPMP-UHFFFAOYSA-N	369.437	2.294	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)[C@@H]3CC[C@H]4C[C@H]4C3)CC2)cc1	817524066	NMOQLPXCVUJUTR-KSZLIROESA-N	357.498	2.370	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CC[C@H](O)CC12CCC2	823519652	LPDUXUNTWHCTPP-IBGZPJMESA-N	373.497	2.237	10	10	FECE	
CC(C)[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)C1(CO)CC=CC1	830525991	HSAMJLHKBDBNGH-HXUWFJFHSA-N	359.514	2.312	10	10	FECE	
COc1ccc(N2CCN(C(=O)NC[C@H]3C[C@@H](N(C)C)C3)CC2)cc1F	847410271	BFZFJMOSVUFHEK-FZNQNYSPSA-N	364.465	2.006	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)C[C@@]12CCCN(CC1)C2	913878258	PBWGLWOWYARBGA-IBGZPJMESA-N	365.543	2.390	10	10	FECE	
CC(C)O[C@@]1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CCOC1	919919221	XJGSSFIIPHPRDB-HXUWFJFHSA-N	359.470	2.446	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCC(c4ccncn4)CC3)cc2N1	840355498	FXXNRQBACIWTCX-UHFFFAOYSA-N	355.354	2.100	10	10	FECE	
CC1(C)CCCN[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	844173736	UEISIYDYPWWXMH-IBGZPJMESA-N	359.514	2.290	10	10	FECE	
COc1ccc(N2CCC(NC(=O)NCCO[C@H]3CC3(F)F)CC2)cc1	852529573	IDCKLZSIMQMABO-INIZCTEOSA-N	369.412	2.387	10	10	FECE	
Cc1cc(CCNC(=O)NC[C@](C)(O)CN(C)C)c(C)n1-c1ccccc1	752640961	KJCLVJAVTCQXRS-NRFANRHFSA-N	372.513	2.248	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCCCCn3ccnc3)C2)cc1	851995884	AXFIHHNKQLQMQF-MRXNPFEDSA-N	357.458	2.250	10	10	FECE	
C[C@H](NCCN1CCC(N)CC1)c1cc(Br)cc(F)c1O	925810664	FHRITBPIPFMYME-JTQLQIEISA-N	360.271	2.368	10	10	FECE	
O=C1CCC2=C(CCN(C(=O)NCc3ccc(N4CCCC4)cc3)C2)N1	851986857	GQFQRNARSKFGMW-UHFFFAOYSA-N	354.454	2.366	10	10	FECE	
COC(=O)[C@H]1C[C@@H](N(C)C(=O)c2csc(Cc3ccc(N)cc3)n2)C1	852916908	SYYBJUOQEBXDRF-XBXGTLAGSA-N	359.451	2.340	10	10	FECE	
CC[C@@H]1NCC[C@H]1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	861798641	WKKUBTSVDHKVOR-ZWKOTPCHSA-N	373.497	2.310	10	10	FECE	
COC(=O)c1coc(/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1	864470380	HFVNYZDOKXVBSQ-FPLPWBNLSA-N	370.405	2.437	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC[C@H]1CCC2(CCC2)O1	1119810560	RQUXZKCMZYLBNP-GOSISDBHSA-N	373.497	2.285	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN[C@H]3CCCC34CC4)CC2)cc1	872218374	MUZNGHAQCIHBPR-ICSRJNTNSA-N	359.514	2.100	10	10	FECE	
COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc(N2CCOCC2)c(F)c1	786578835	NHHSMCPGSSYZCL-GJYPPUQNSA-N	362.445	2.436	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(Cn2cncn2)CC1	897450601	INCPSKSAOQNVHO-UHFFFAOYSA-N	358.423	2.456	10	10	FECE	
COCCN(Cc1ccnn1C)C(=O)NCCCSc1nccs1	787281113	AASHLXRNAHTAKH-UHFFFAOYSA-N	369.516	2.217	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(Cn2ccnn2)CC1	897184633	RWCRSTAFQZRTTK-UHFFFAOYSA-N	358.423	2.456	10	10	FECE	
COC(=O)[C@]1(O)CCN(Cc2ccc(OCc3ccccc3)cc2O)C1	895703374	MEGZOLWDLZYVRS-FQEVSTJZSA-N	357.406	2.081	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)cc1	790670116	AETLRCMDKWKWFN-WMZOPIPTSA-N	365.518	2.490	10	10	FECE	
C[C@@H](N)c1ccc(N(C)C[C@@H]2CCCS2(=O)=O)c(Br)c1	694120969	UOBBTRJEYVHXKN-PWSUYJOCSA-N	361.305	2.482	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@H]1Cc2cc(Br)ccc2O1	1153886167	YXLSJUARAWFBJB-OAHLLOKOSA-N	364.195	2.480	10	10	FECE	
C[C@H](NCC(=O)NCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1O	1308010633	UXKBCOUGJGBWNO-NSHDSACASA-N	363.364	2.076	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CNC(C)(C)C(O)(CC)CC)nc12	1175568639	CXCPCZSRVUMPOP-UHFFFAOYSA-N	364.446	2.031	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CCCOC1	2124510577	YFQJMRADZRNBGQ-CXAGYDPISA-N	367.450	2.467	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2124538544	KUEPENIRMSBLQU-MELADBBJSA-N	367.450	2.438	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCC[C@H](N=[N+]=[N-])C2)OCC12CC2	2127546102	WWHISYQNIUJRNH-QWHCGFSZSA-N	365.434	2.456	10	10	FECE	
CC(C)(C)OC(=O)NC1CC(O)(C(=O)N2CCCC[C@@H](CN=[N+]=[N-])C2)C1	2127755272	HFXSYNCEUUDAPN-POZPTJLLSA-N	367.450	2.344	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cc(C)nc4c3cnn4C)C2)cc1	1278862037	VHQJUHNNGYVARD-CQSZACIVSA-N	365.437	2.294	10	10	FECE	
NC(=O)[C@@H](F)C1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	1350840893	CKXZDMVCDUXLFS-KRWDZBQOSA-N	362.449	2.032	10	10	FECE	
COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(O)c1	1603555311	OERHJEAXCWSTIG-SFHVURJKSA-N	357.454	2.500	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c(C2CC2)nnc1N1CCS(=O)CC1	1707305368	YEHQTODAEVASDP-UHFFFAOYSA-N	373.526	2.147	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCc2nc[nH]c2[C@H]1c1cccnc1	1627528507	VNSIXBIOMOLUBM-PEAOBZDDSA-N	362.389	2.403	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1	1556568630	ZRXBBHYSEFPAQM-JQWIXIFHSA-N	358.320	2.482	10	10	FECE	
CC[C@]1(CO)CCCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1638917132	DQPVBTMOXVPIDI-UYAOXDASSA-N	362.518	2.302	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)c2ccc(Cl)nc2N)N(C)C)cc1	1640232736	YHCQQCQTZSZXFH-HNNXBMFYSA-N	361.877	2.416	10	10	FECE	
CNC(=O)c1ccc(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)nn1	1586389567	GTOMRPDFQBOVJU-UHFFFAOYSA-N	363.421	2.425	10	10	FECE	
C[C@H](NC(=O)CCNC(=O)c1n[nH]c2ccccc12)c1ccccc1O	1587451513	YAXCTWVLQBAESR-LBPRGKRZSA-N	352.394	2.266	10	10	FECE	
Cn1nc(C(=O)NCc2c(O)cccc2O)cc1NC(=O)OC(C)(C)C	1597579159	IPUQKXCYCVNTNZ-UHFFFAOYSA-N	362.386	2.108	10	10	FECE	
C[C@H](NC(=O)[C@@H]1C[C@@H](O)CCN1C(=O)OC(C)(C)C)c1ccccc1O	1877567726	OWRLKOACKUGSHN-YDHLFZDLSA-N	364.442	2.330	10	10	FECE	
C[C@H](N)c1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@H]32)c(Br)c1	2151276210	RQQOOYLATXGBDR-DRCTWCGVSA-N	359.289	2.092	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@H]1NCc1ccc(O)c(O)c1	387910397	YZDYITAWVFHPRX-NKKGCODLSA-N	364.442	2.258	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](C)(CNC(=O)c2ccc(O)c(O)c2)C1	2054418728	WNYBSCAMVKJDBI-GOSISDBHSA-N	350.415	2.475	10	10	FECE	
Nc1ccc(OCCNc2cncc(I)n2)cc1	2054541253	ZMSWIJKNESCVNG-UHFFFAOYSA-N	356.167	2.154	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]1(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CCCO1	2060636052	STKNCMLCQNOEEM-BLLLJJGKSA-N	353.423	2.219	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(C)(C)C	2072687764	HNJBYIQPHQBRGJ-VXGBXAGGSA-N	357.455	2.446	10	10	FECE	
CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)Cc1ccc(N)cc1	2084784818	QWPSNVNBYUBWFF-CABCVRRESA-N	365.499	2.278	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H](CNCCc2ccc(O)c(O)c2)C1	2098653009	TYQPFWVGLAGUMR-OAHLLOKOSA-N	366.458	2.113	10	10	FECE	
CCN1CCN(C2=NC(=O)C(=Cc3ccc(OC)cc3OC)S2)CC1	2297313790	VEHGVJOOAMNQMB-UHFFFAOYSA-N	361.467	2.312	10	10	FECE	
C[C@@H](N)c1ccc(N2CC[C@H](N3CCOCC3)C2)c(Br)c1	62980906	GRXHXQMMIMLRSF-OCCSQVGLSA-N	354.292	2.380	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1	237221911	PGUJZSIHUBPROL-IHPCNDPISA-N	357.498	2.402	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3CCC[C@H]4OCC[C@@H]34)CC2)cc1	247680717	ZPGWIIHVCYAJGO-IPMKNSEASA-N	359.470	2.484	10	10	FECE	
CCCNC(=O)CNC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	443917827	DXVUVOCTFQTNPH-UHFFFAOYSA-N	370.497	2.050	10	10	FECE	
COC[C@@H]1CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C[C@@H](C)O1	276021440	NHGTWIMABROVBU-FROLJDDGSA-N	350.371	2.021	10	10	FECE	
Nc1ccc(CCC(=O)N2C[C@H]3CC[C@H]2[C@@H](NC(=O)C(F)(F)F)C3)cc1	2162971436	COCGPJYUOHFALE-QEJZJMRPSA-N	369.387	2.259	10	10	FECE	
CCOC(=O)[C@H](C)OC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O	733386805	XQLOVLOKJKPSTB-JTQLQIEISA-N	367.357	2.153	10	10	FECE	
CCOC(=O)CNC(=O)C1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1	835027829	DEEMCNWXEADKIU-WAYWQWQTSA-N	373.497	2.157	10	10	FECE	
CC1(S(=O)(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CC1	831009757	FGLGWRWVUUJUQS-UHFFFAOYSA-N	363.527	2.191	10	10	FECE	
COc1cc([C@@H]2[C@H](C(=O)O)CCN2C(=O)OC(C)(C)C)cc(O)c1O	1952909742	JLLNXBRFGBPVAI-ZWNOBZJWSA-N	353.371	2.489	10	10	FECE	
CN[C@H]1CCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1	843344433	CKWYPUSLHWZUCY-HNNXBMFYSA-N	355.438	2.299	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]([C@H](N)Cc1ccc(O)c(O)c1)C(F)(F)F	1952963840	HWHUOAISIXDGDW-BXKDBHETSA-N	350.337	2.423	10	10	FECE	
Cc1cc(C(N)=O)cc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)c1	849371011	OYSCBIASYHARRU-UHFFFAOYSA-N	373.478	2.173	10	10	FECE	
COC(=O)N[C@H]1CCN(C(=O)c2ccccc2-n2c(C)cc(C=O)c2C)C1	924476808	BDNNREPPRIYBOL-INIZCTEOSA-N	369.421	2.477	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CCNC(=O)C3CCCCC3)C2)cc1	855231932	YYPXGODPEFOMAU-KRWDZBQOSA-N	373.497	2.477	10	10	FECE	
O=C(CN1C[C@@H](O)C[C@@H](O)C1)Nc1ccc(N=Nc2ccccc2)cc1	752310003	JIEDFKRLQNJLKQ-HDICACEKSA-N	354.410	2.468	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3ccc(C)nc3C)C2)cc1	850536488	GVCPSNQJESILFE-HNNXBMFYSA-N	368.437	2.041	10	10	FECE	
CCc1ncc(CNC(=O)N2CCN(c3ccc(OC)cc3OC)CC2)o1	868678598	AQKHRJHMLBUAAE-UHFFFAOYSA-N	374.441	2.286	10	10	FECE	
CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2O)s1	867834645	ULKUHVVXBTZWDO-JTQLQIEISA-N	354.453	2.129	10	10	FECE	
Cc1cc(C(=O)COC(=O)[C@H]2CCNC(=O)C2)c(C)n1-c1ccc(F)cc1	761214048	WOSCREWBNLDTIB-AWEZNQCLSA-N	372.396	2.485	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CC(=O)N(C(C)C)C(C)(C)C2)c1O	774906267	WSBYTMXTVSCPMX-UHFFFAOYSA-N	351.403	2.140	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H](NC(=O)OC)C3)ccc21	894750067	QXHTUGRSKLOBPW-INIZCTEOSA-N	373.453	2.475	10	10	FECE	
CCO[C@H](CCN(C)C)CNC(=O)c1cc2cc(O)c(O)cc2s1	896938574	CGBZZPLZDPFZQR-GFCCVEGCSA-N	352.456	2.399	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cncc2nc[nH]c12	895780849	WUAVTRMVXIJTPY-UHFFFAOYSA-N	365.437	2.097	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)NCc1ncccc1O	792036241	RLSIDRWISWIYMX-UHFFFAOYSA-N	358.467	2.340	10	10	FECE	
COc1cc(N)c(C(=O)NCc2ccc(O)c(O)c2)cc1Br	1137443436	PSWAINNAWHGZHD-UHFFFAOYSA-N	367.199	2.381	10	10	FECE	
Cc1nnnn1-c1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1	1142731075	IYBUNKMFMDHMTR-UHFFFAOYSA-N	360.377	2.155	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2124539502	WHUADKLKQYDIAM-KGLIPLIRSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)N1CCC(CN=[N+]=[N-])CC1	2124532649	LKABNBPJNCLKFO-DYVFJYSZSA-N	367.450	2.465	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2124509546	WRNRPCKIQRPJOT-KGLIPLIRSA-N	366.466	2.086	10	10	FECE	
CN1CCCc2cc(CNC[C@@](C)(CO)NC(=O)OC(C)(C)C)ccc21	2124716435	ZGPAXVSFAVPSMM-FQEVSTJZSA-N	363.502	2.434	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1CC(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2131406033	QYHFZJNBKNCVTC-BFHYXJOUSA-N	367.450	2.465	10	10	FECE	
C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccc(N4CCOCC4)cc3)CN2C1	1347384955	QSINNPQTVACZEA-POAQFYNOSA-N	357.498	2.260	10	10	FECE	
Cc1cc(CC(=O)Nc2nn(C)cc2C(N)=O)c(C)n1-c1ccccc1	1358072771	QWGMXVZTQDURBN-UHFFFAOYSA-N	351.410	2.108	10	10	FECE	
COc1ccc(CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)c(O)c1	1568097590	MUYPWTQBBGPZGL-UHFFFAOYSA-N	351.746	2.475	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C(=O)OC(C)(C)C)CCCO1	1632680906	IFCHKWHRRSQNQQ-BLVKFPJESA-N	365.426	2.036	10	10	FECE	
COc1ccc(O)c([C@@H](C)N=c2[nH]nc(CNC(=O)OC(C)(C)C)o2)c1	2138818683	QPZHDKRSLZWZBJ-SNVBAGLBSA-N	364.402	2.404	10	10	FECE	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC(n2ccnn2)CC1	155601665	SLUJZJWYICIHSB-UHFFFAOYSA-N	350.382	2.319	10	10	FECE	
CCOC(=O)CN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S	6076281	OSLNUVWDSSSRSE-WUXMJOGZSA-N	351.405	2.180	10	10	FECE	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cn1cn[nH]c1=O	157333489	NZRSROIJALSBCH-CQSZACIVSA-N	352.394	2.067	10	10	FECE	
CCCCN1C(=O)NC(=O)/C(=C/c2cnc(-c3ccccc3)nc2)C1=O	6244333	DLNXBAZNHDPGBV-GDNBJRDFSA-N	350.378	2.406	10	10	FECE	
CN[C@@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H]3CS4)c(Br)cc21	320966399	JPGKDOCGRHFPLN-DAROEXNTSA-N	354.273	2.356	10	10	FECE	
C[C@@H](NCC1(CNC(=O)OC(C)(C)C)COC1)c1cc(O)ccc1O	2056739400	WWFTZTMLPFCMQG-GFCCVEGCSA-N	352.431	2.290	10	10	FECE	
CC(C)(C)OC(=O)NCc1nc(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)co1	2060640687	XRVBILGNTVOJSU-SNVBAGLBSA-N	350.379	2.472	10	10	FECE	
CC(C)(C)OC(=O)NCc1ocnc1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2060609107	QUNSTSSSTUJDBH-SNVBAGLBSA-N	350.379	2.472	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CCCOC1	2060618443	ZHOLNCIOOAJSRP-BLLLJJGKSA-N	353.423	2.219	10	10	FECE	
CS(=O)(=O)[C@H]1C[C@@H](CNCc2cc(Br)cc(F)c2O)C1	2192312545	BMOKIGXZINQDSU-DKTWLAJQSA-N	366.252	2.207	10	10	FECE	
CO[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccccc1O	2072481896	MHLHFTUPYUKVHK-YWPYICTPSA-N	352.431	2.498	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2073949842	KRKGLQMMDBWFKU-AGIUHOORSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CNC(=O)COc2ccc(N)cc2)C1	2106237858	UNLFHUMKNHFTMN-UKRRQHHQSA-N	363.458	2.457	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](CNCc2cccc(O)c2O)C[C@H]2OCC[C@H]21	2090472384	GJXBCAOMSXPCRA-SQWLQELKSA-N	364.442	2.354	10	10	FECE	
CN1C(=O)[C@@H](N)c2ccc(N3CC[C@@H](N(C)Cc4ccccc4)C3)cc21	2095870002	JNVUUPQAKCQAPG-XLIONFOSSA-N	350.466	2.374	10	10	FECE	
CSc1ncc(CN=c2[nH]ccnc2I)s1	2243831673	CQSSSJVHUMNCGH-UHFFFAOYSA-N	364.237	2.294	10	10	FECE	
COC(=O)[C@H](C)N1C(=O)C(=Cc2ccc(OC)c(O)c2)SC1=S	2293308675	UJISQKAPJLWANG-QMMMGPOBSA-N	353.421	2.164	10	10	FECE	
COc1cc(C=C2C(=O)NN(c3cccc(F)c3)C2=O)ccc1OC(C)=O	2313656865	ZTUNISNPRVHHQC-UHFFFAOYSA-N	370.336	2.221	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1	115280136	YHUKGDTZWKDBBU-QUCCMNQESA-N	366.465	2.292	10	10	FECE	
CN1CCNC[C@@H]1c1cc(Br)cc(Br)c1O	1951853594	HUZFRJSIVGWXEQ-SNVBAGLBSA-N	350.054	2.493	10	10	FECE	
CO[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC[C@@H]1C	187408339	OTOGRTMARKTOKC-KSSFIOAISA-N	365.449	2.229	10	10	FECE	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCOC[C@@H]3C(N)=O)c2C)c1	180267898	FPSGQQUYUJSJSI-GOSISDBHSA-N	355.438	2.037	10	10	FECE	
COCCc1cc(NC(=O)/C=C\c2ccc(N3CCOCC3)cc2)n(C)n1	255363735	JYKZPQFDLXTDRC-YVMONPNESA-N	370.453	2.098	10	10	FECE	
COc1ccc(O)c(CNC(=O)[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)c1	377921419	PLAOBXWETGPVPA-HNNXBMFYSA-N	368.405	2.222	10	10	FECE	
COc1ccc(O)c(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2OC)c1	393385427	HFXAPZSULOVMNY-ZBFHGGJFSA-N	352.431	2.125	10	10	FECE	
O=C(/C=C/[C@@H]1CCCO1)NCc1cc(F)c(N2CCOCC2)c(F)c1	819565409	XULHHFWFSGILCI-XGACYXMMSA-N	352.381	2.153	10	10	FECE	
Cc1cnn(C)c1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	824381819	ZVABHEOUELOILA-UHFFFAOYSA-N	361.421	2.150	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1	822001797	YLNJCRIXDSYHTL-UKRRQHHQSA-N	354.472	2.280	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H]2C[C@@H]2C1)c1ccc(N2CCOCC2)cc1	834664593	FHRNNZCYABYBKB-DZJNRPSUSA-N	371.481	2.005	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2c(c1)CCC2=O	835060034	HNSKRIWKQQNSAT-UHFFFAOYSA-N	365.433	2.479	10	10	FECE	
C[C@@H]1COCC[C@H]1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	837708652	AYDLROTUPOETCI-TZMCWYRMSA-N	354.397	2.090	10	10	FECE	
CN1C(=O)N[C@@](C)(c2ccc(NCc3cc4c(cc3O)OCO4)cc2)C1=O	848563654	XWXNEEXNPMIQHV-IBGZPJMESA-N	369.377	2.130	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CN)C3CCCCC3)C2)cc1	851664541	DVXCBKIHMYXTGY-LPHOPBHVSA-N	360.502	2.481	10	10	FECE	
Cc1cc(C(=O)CN2CC[C@@]3(O)C[C@H]3C2)c(C)n1-c1ccc2c(c1)OCO2	852539211	QKVZVZZTOLWERQ-YCRPNKLZSA-N	368.433	2.462	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H](C(C)C)N3CCCC3=O)C2)cc1	855229619	KPGPGRSIZMGQAY-BEFAXECRSA-N	359.470	2.037	10	10	FECE	
O=C(NCC[C@@H]1CC1(F)F)NCc1ccc(N2CCC(O)CC2)cc1	856882596	NAWAVNHXFULBNA-CQSZACIVSA-N	353.413	2.492	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@@H](C)n1ccc(C)n1	854987269	AWCRJGTVTFBAOW-OAHLLOKOSA-N	359.426	2.440	10	10	FECE	
Cc1ccc(O)c(CNC(=O)CCOC2CN(C(=O)OC(C)(C)C)C2)c1	862757543	XUMJDWGJIAOPDG-UHFFFAOYSA-N	364.442	2.343	10	10	FECE	
O=C1N[C@H](C[C@H]2CCCOC2)C(=O)N1CCCSc1nccs1	863504619	USCNTXSDDMIXNZ-VXGBXAGGSA-N	355.485	2.362	10	10	FECE	
CN1CCCc2cc(CN3C(=O)N[C@@H](C[C@@H]4CCCOC4)C3=O)ccc21	863503221	ZEWIOFFBRCGLJS-RDJZCZTQSA-N	357.454	2.306	10	10	FECE	
COc1ccc(O)c(CNC(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)c1	772464566	QQONFVBUDZOMNM-ZDUSSCGKSA-N	355.394	2.326	10	10	FECE	
CCOC(=O)[C@H](CCOC(C)(C)C)NCc1cc2c(cc1O)OCO2	789578634	RFZMRLRNCJZBBU-ZDUSSCGKSA-N	353.415	2.347	10	10	FECE	
CCOC(=O)C1(O)CCN(Cc2cc(C)cc(Br)c2O)CC1	781907822	FTKIKKMPMAZDAQ-UHFFFAOYSA-N	372.259	2.353	10	10	FECE	
CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)cc1	797820309	QNABOZBYJXXEBE-UHFFFAOYSA-N	351.380	2.378	10	10	FECE	
C[C@@H](c1ccccc1)[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(N)=O	1141552891	CEBSWFXHZMDZIW-NHYWBVRUSA-N	353.382	2.236	10	10	FECE	
C[C@@H](C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)n1ccnc1	1319694397	SAJBWPUOSOVXPW-KRWDZBQOSA-N	367.497	2.293	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNCc2ccc3c(c2)CCO3)C[C@@H]1O	2116202041	HNWBOYOCWDIJKZ-OIISXLGYSA-N	362.470	2.375	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@]1(NC(=O)OC(C)(C)C)[C@H]2CCO[C@@H]2C1(C)C	2124514757	ZEHCDHVBZNGMEO-NVGCLXPQSA-N	367.450	2.464	10	10	FECE	
CN1CCN(c2ccc(CN3C[C@H]4CC[C@H]3[C@@H]3CNC[C@H]43)cc2F)CC1	1331980318	GZOUJGBDIQPNQH-MLYOOKFZSA-N	358.505	2.007	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C	2131394279	NRFPLRODFDVGHM-HUUCEWRRSA-N	364.442	2.280	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](CNCc2cccc(O)c2O)OCC12CC2	2129220075	OXHBUCCJWGWFMG-CQSZACIVSA-N	364.442	2.356	10	10	FECE	
C[C@H](NC(=O)C(=O)NC[C@H]1CC[C@@H](C2CC2)O1)c1ccc(N(C)C)cc1	1333430320	UFPVACSJUJCEKQ-VHSSKADRSA-N	359.470	2.004	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@H]2CN1C(=O)COc1ccc(N)cc1	1905376887	IHLNDKKVCZUSEK-APHBMKBZSA-N	361.442	2.019	10	10	FECE	
COc1n[nH]cc1-c1nnc(N(C)Cc2ccccc2O)n1CC1CC1	1349123363	NLWLDRWFOWTRNC-UHFFFAOYSA-N	354.414	2.429	10	10	FECE	
O=C(NCc1cccc(O)c1O)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1	1350299563	DQQSAYBSKFWVOK-CYBMUJFWSA-N	358.369	2.296	10	10	FECE	
COc1cccc(CNC(=O)c2c(C)c(=O)n(C)c3ccccc23)c1O	1445966942	JKXVLCNJJPEUBB-UHFFFAOYSA-N	352.390	2.491	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](CO)[C@H]2CCOC2)CCCC1	1295799271	NBTJUZVCDXNDFS-KSSFIOAISA-N	372.465	2.042	10	10	FECE	
CC(C)[C@@H](C(=O)NCc1ccc(O)cc1O)N1C(=O)c2ccccc2C1=O	1299570396	IWTGUJWPQMRXDM-KRWDZBQOSA-N	368.389	2.035	10	10	FECE	
NC(=O)c1ccc(N2CCCCC2)c(NC(=O)Cc2ccc(O)c(O)c2)c1	1463870023	RCNNXUBTLYIXTM-UHFFFAOYSA-N	369.421	2.368	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1cccc(C(=O)N=c2cc[nH]cc2)c1	1542688581	FTKGHILBTBLJBU-UHFFFAOYSA-N	363.373	2.348	10	10	FECE	
COc1ccc(-n2cc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)nn2)cc1	1638347145	DMFZLACDXAXRAP-LBPRGKRZSA-N	368.393	2.048	10	10	FECE	
CC(C)CC[C@H](CO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1565452605	HQXMEYBHCYALGE-IEBWSBKVSA-N	364.534	2.452	10	10	FECE	
CC(C)[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCO1	1685681957	OKXHBIUODVKIIO-OALUTQOASA-N	362.518	2.422	10	10	FECE	
CC(=O)c1cc(CN(C)C[C@H]2CCCO2)c(O)c(CN2CCOCC2)c1	151690396	VCCINWSUUDBQOX-LJQANCHMSA-N	362.470	2.038	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@@H]1C[C@H](O)CCO1	1951695848	OZGXAJSKCXMZLK-IOASZLSFSA-N	353.415	2.074	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@H]1NCc1cccc(O)c1O	387917503	BCBGQGOIQNZXKZ-GUSZCTEKSA-N	364.442	2.258	10	10	FECE	
COc1ccc(CN[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)c(O)c1	2058679042	FVAIBUFEKSJNAA-GOEBONIOSA-N	352.431	2.125	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060635064	HOIQTIBDMNEVAR-QWHCGFSZSA-N	353.423	2.314	10	10	FECE	
COc1cc(N)c(N(C)CCOCCNC(=O)OC(C)(C)C)cc1OC	2106711276	GQPZQFSEJFRNRG-UHFFFAOYSA-N	369.462	2.264	10	10	FECE	
CN1CCc2cc([C@H](O)c3cn(C)nc3I)ccc21	2106798347	KBMLBVPRRJXGMV-ZDUSSCGKSA-N	369.206	2.099	10	10	FECE	
C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)COc1ccc(N)cc1	2106778387	CRBQASGESDIJEZ-ZIAGYGMSSA-N	363.458	2.409	10	10	FECE	
Cn1ncc(C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)c1I	2099330327	WBICXASGDNRASR-MRVPVSSYSA-N	374.186	2.330	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-]	2218735781	RQMVEUGZWBYTMG-LOWDOPEQSA-N	353.423	2.264	10	10	FECE	
CN1CCCc2cc(/C=C3\C(=O)Nc4ccc(S(N)(=O)=O)cc43)ccc21	51968768	LXICRTBBJYFMNA-YBEGLDIGSA-N	369.446	2.209	10	10	FECE	
CC1CCN(C[C@@H](O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)CC1	121052302	DKAQVPSGXGGYMQ-UXHICEINSA-N	362.514	2.466	10	10	FECE	
O=C(OCc1ccccc1)N1CC(Cc2ccc(O)c(O)c2)(C(=O)O)C1	1951972781	ZVSHZTNNNIPKBG-UHFFFAOYSA-N	357.362	2.364	10	10	FECE	
CC[C@H](N[C@H]1CCC(=O)N(C)C1=O)c1cc(Br)ccc1O	90025989	BHSWYUXZUBDHBX-RYUDHWBXSA-N	355.232	2.343	10	10	FECE	
COC(=O)c1cncc(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	822001192	RHLDNFQAKQKDTM-AWEZNQCLSA-N	370.409	2.277	10	10	FECE	
O=S1(=O)CCN(c2ccc(CNc3ccnc(C4CC4)n3)cc2)CC1	732921758	MAPORIXMNMGGOT-UHFFFAOYSA-N	358.467	2.201	10	10	FECE	
O=C(NCc1c(O)ccc2c1CCCC2)c1cc2c(nc1O)CCOC2	901131067	HWYSDQPCECLTSC-UHFFFAOYSA-N	354.406	2.374	10	10	FECE	
COC(=O)[C@@H]1CC[C@H](C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1	839627600	AORPYOYXTCERNL-LSDHHAIUSA-N	360.454	2.370	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1COC2(CCC2)C1	830078320	HUBYKLNFYLZRPR-KRWDZBQOSA-N	373.497	2.317	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)c3ccccc3C=O)C2)cc1	849415961	IYLIOFZCQVUNAI-HNNXBMFYSA-N	360.435	2.065	10	10	FECE	
CN(C(=O)OC(C)(C)C)C1CC(C(=O)NCc2ccc(O)cc2O)C1	910957242	QHVNMHVSFGAFES-UHFFFAOYSA-N	350.415	2.360	10	10	FECE	
COC1(CS(=O)(=O)Nc2cc(Cl)c(O)cc2F)CCOCC1	844664013	OXBOQCUYSSJXGF-UHFFFAOYSA-N	353.799	2.122	10	10	FECE	
NCCc1ccccc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	846673325	RCBMDNXVMVBPSW-UHFFFAOYSA-N	357.429	2.094	10	10	FECE	
CCc1ccncc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	845887467	XZFTXPBILNWWKI-UHFFFAOYSA-N	350.422	2.275	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@H](c4nccn4C)C3)C2)cc1	852455235	SXUYVUSCSZBWCM-JKSUJKDBSA-N	369.469	2.207	10	10	FECE	
COC(=O)/C(C)=C\CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	925034391	BTHKIUWAWHIKEH-IHWMJMDHSA-N	362.426	2.202	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)c2cnn3c(=O)cc[nH]c23)cc1	856745892	LRZXQFAVVKBXLY-UHFFFAOYSA-N	353.426	2.141	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CNC(=O)c3ccccc3C)C2)cc1	855228835	HHYRPXWZSKEUGY-INIZCTEOSA-N	367.449	2.129	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3cnn4ccccc34)C2)cc1	852322523	LOZUZWJUXXOIAH-INIZCTEOSA-N	365.437	2.421	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)Oc3cccc(CO)c3)C2)cc1	855233651	JZOHVGNGTGMKQE-WBVHZDCISA-N	370.449	2.350	10	10	FECE	
COC(=O)/C=C\c1ccc(N(C)CC(=O)NCc2ccco2)c([N+](=O)[O-])c1	931328169	IXGQFYZLLKOZNV-VURMDHGXSA-N	373.365	2.127	10	10	FECE	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)N1CC[C@@H](O)[C@@H](F)C1	931783822	PCMVZZZRVGDUAX-GXTWGEPZSA-N	355.373	2.333	10	10	FECE	
Nc1ccccc1S(=O)(=O)NCc1cccc(Br)c1O	766201906	XDFKVPDFWKFEHH-UHFFFAOYSA-N	357.229	2.215	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H](CO)Cc1ccc(F)c(F)c1	791495882	VIKUZGNNZOACPN-XSHSDMCLSA-N	363.360	2.357	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C[C@H]1CCCO1)C(=O)NCc1ccccc1O	2124256309	CYRDECOKRQMWAO-CABCVRRESA-N	364.442	2.471	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2124508172	NPABPXSFJUNTHW-MELADBBJSA-N	367.450	2.296	10	10	FECE	
CCOCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCN(CC)C1	1516460654	GUABSDSCGCHTOA-MRXNPFEDSA-N	373.501	2.498	10	10	FECE	
C[C@H](Sc1nc(CC(=O)N[C@H](C)c2ccccc2O)cs1)C(N)=O	1454805542	LNAMBEJHJDYSNH-ZJUUUORDSA-N	365.480	2.235	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)[C@@H]2COc3ccc(O)cc3O2)cc1	1557355954	KSAQOPISCSOPPX-IBGZPJMESA-N	372.421	2.135	10	10	FECE	
COC(=O)[C@H](C[C@H]1CCCO1)NC(=O)c1cc2cc(O)c(O)cc2s1	1645093019	WSIGCWIBZILXLD-MNOVXSKESA-N	365.407	2.153	10	10	FECE	
CCN1C[C@@H](NC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)CC1=O	1641191537	ZPJXKXDIKSINTI-INIZCTEOSA-N	353.422	2.257	10	10	FECE	
CN(CCCN(C)C(=O)OC(C)(C)C)C(=O)Cc1ccc(O)c(O)c1	1570374305	UTLRXOGGJRJWEB-UHFFFAOYSA-N	352.431	2.356	10	10	FECE	
COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)N[C@@H](C)c1ccccc1O	1676594347	IOCHTLQULCRTIS-WCQYABFASA-N	358.398	2.271	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC[C@@H](c3nnc(O)o3)C2)c([N+](=O)[O-])c1	1773085601	YGEUCUVULYVEQB-SMYYYNMVSA-N	374.353	2.254	10	10	FECE	
COCC[C@@H]1COCCN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-]	1773581677	LPCHRYBZMHWYAN-YVARQFDVSA-N	350.371	2.023	10	10	FECE	
CCO[C@@H](CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)CN(C)C	1686826458	IRJMHHLWCKUTQD-LPHOPBHVSA-N	364.534	2.258	10	10	FECE	
O=C(O)[C@H](CO)N1C(=O)/C(=C\c2cccc3ccccc23)SC1=S	1858595559	CSPBQXXXINBVQG-JGWKKKPCSA-N	359.428	2.487	10	10	FECE	
CO[C@@H](C(=O)O)C1CN(Cc2cc(Cl)cc(Br)c2O)C1	1875983016	XBSMHWIKZRNNNO-GFCCVEGCSA-N	364.623	2.340	10	10	FECE	
C[C@H](NC(=O)C[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O	1877573536	LZLDCBFPWZWKNC-YDHLFZDLSA-N	364.442	2.499	10	10	FECE	
C[C@H](N)c1ccc(N2CCC[C@@H]2CS(C)(=O)=O)c(Br)c1	2151281846	QFIMGZQYOCITET-CMPLNLGQSA-N	361.305	2.482	10	10	FECE	
CS(=O)(=O)CCN(c1ccc(CN)c(Br)c1F)C1CC1	2170175844	NHFUVYCHBFQVJL-UHFFFAOYSA-N	365.268	2.060	10	10	FECE	
CN(c1ccc(N)cc1)S(=O)(=O)c1ccc(N)cc1Br	2191764159	QZVBGICZWTXWRE-UHFFFAOYSA-N	356.245	2.439	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCCN(c2cc3c(cc2N)OCC(=O)N3)C1	2106706300	QZTNMGXXZDKCEU-LLVKDONJSA-N	362.430	2.093	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccc(N)cc2)[C@H]2CC[C@H]21	2112103147	YTAIVRSSJKXYEF-JKSUJKDBSA-N	360.458	2.291	10	10	FECE	
Nc1ccc(CC(=O)NC[C@@H]2CC2(Br)Br)cc1	2213080787	YSVYXLYAVIEFLF-VIFPVBQESA-N	362.065	2.434	10	10	FECE	
COc1ccc(CNCC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(O)c1	2230155918	LHGDVUPXSPFBLK-IBGZPJMESA-N	366.458	2.252	10	10	FECE	
NCc1ccc(N2CCS(=O)(=O)C3(CCC3)C2)c(Br)c1	2279709911	VHNOFNMLPQXWAF-UHFFFAOYSA-N	359.289	2.065	10	10	FECE	
Cc1ccc(C(=O)N2CCN(C(=O)C=Cc3ccc(O)c(O)c3)CC2)cc1	2307986318	MYLBRDGFIHFTRC-UHFFFAOYSA-N	366.417	2.404	10	10	FECE	
C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)C=Cc1ccc(O)c(O)c1	2308006187	ZKWIWSGRHJEZCR-ZDUSSCGKSA-N	365.389	2.026	10	10	FECE	
CC(C)C[C@@H](CNC(=O)C=Cc1ccc(N2CCOCC2)cc1)C(=O)O	2311974122	LWMMIQTVQGBPEX-KRWDZBQOSA-N	360.454	2.400	10	10	FECE	
Cc1cc(O)c(CN2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)cc1C	117325880	RRVXLGRKDMJOIS-FQEVSTJZSA-N	361.530	2.236	10	10	FECE	
COc1ccc(N2CCC(N[C@H]3CCC[C@@H]3S(C)(=O)=O)CC2)cc1	182764177	CZIRWLDLLQIFPE-ROUUACIJSA-N	352.500	2.219	10	10	FECE	
CCN1CCN(C[C@@H](C)CN[C@H](C)c2ccc(N3CCOCC3)cc2)CC1	121103371	GIWOXTSUZXHXFJ-VQTJNVASSA-N	374.573	2.447	10	10	FECE	
COC(=O)COc1ccc(N(C)Cc2nc(-c3cccnc3)no2)cc1	183792124	BLKOIOMHMQMKEB-UHFFFAOYSA-N	354.366	2.320	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc(-n4ccnc4)ccn3)CC2)cc1	272146425	AYTNMLQFRWAOFL-UHFFFAOYSA-N	363.421	2.238	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1c2ccccc2C[C@@H]1C	808543634	LHAHEEKHTHFDJU-RRQGHBQHSA-N	371.433	2.472	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCc3nnc(C4CC4)n3C2)c1	815835450	UNNXCSNRPRUZRT-DGCLKSJQSA-N	356.426	2.310	10	10	FECE	
CC(=O)N(C)c1ccc(N(C)C(C)=O)c2c1C(=O)c1ccccc1C2=O	725403351	SUXKHKUTSBXRKA-UHFFFAOYSA-N	350.374	2.427	10	10	FECE	
COc1cccc(N2C[C@@H](NC(=O)N(C)Cc3ccccc3O)CC2=O)c1	726274496	DXLAWRADANCZOF-HNNXBMFYSA-N	369.421	2.348	10	10	FECE	
COc1cc2c(cc1OC)CCN(C(=O)c1c(F)ccc(O)c1O)CC2	825535855	HKTSSQKFENRTRU-UHFFFAOYSA-N	361.369	2.495	10	10	FECE	
C[C@H]1CN(C[C@@H]2CCCN2C(=O)/C=C\c2ccc(O)c(O)c2)C[C@@H](C)O1	588408137	RUJDLOSTWJVUKP-YOGJFXPHSA-N	360.454	2.211	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCCCCO3)cc2)C1	844906298	RPYWPCBHUQTSDT-MRXNPFEDSA-N	360.458	2.015	10	10	FECE	
O=[N+]([O-])c1cc(Cl)cc(CNC2CCC(N3CCNCC3)CC2)c1O	841087629	OILOPMJVNANCOJ-UHFFFAOYSA-N	368.865	2.260	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CCO)c3ccco3)C2)cc1	854298380	BVLJUQNPZTUIBL-YOEHRIQHSA-N	359.426	2.290	10	10	FECE	
COC[C@]1(CO)CCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1	854885950	GMPLZDZFZZPWAX-OAQYLSRUSA-N	356.466	2.494	10	10	FECE	
COc1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)nc1	752842296	PBCIFNCUYSQDEJ-UHFFFAOYSA-N	360.389	2.388	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc(CN(C)C)nc3)C2)cc1	855227632	ZOTPSINVQHDFOZ-QGZVFWFLSA-N	354.454	2.161	10	10	FECE	
C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CC1=O	750661111	BRYREXGDPCKZQU-HACGYAERSA-N	357.454	2.080	10	10	FECE	
CC1(C)CC[C@@H](CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)O1	852266332	BWSHKUCUCSKWBJ-SFHVURJKSA-N	361.486	2.405	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCC(=O)NC3CCCCC3)C2)cc1	852452822	GVHGWKSJVDDEOR-MRXNPFEDSA-N	374.485	2.022	10	10	FECE	
CCN(CC)c1ccc(CNS(=O)(=O)c2cncn2CC)cc1F	751249081	PNVYRLUIKGNPCV-UHFFFAOYSA-N	354.451	2.367	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCCN(CC(F)F)C3)C2)cc1	869227907	CVWCPMVSWQAAPS-HUUCEWRRSA-N	367.440	2.367	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3c[nH]nc3[C@@H]3CCCO3)C2)cc1	869229867	AKAUWLQZALAGIU-DYVFJYSZSA-N	356.426	2.279	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N2CCOc3c2ccc(F)c3F)c1	1129944992	MRFQGOAJGUGSLF-DJWKRKHSSA-N	359.332	2.158	10	10	FECE	
COC(=O)N1CCC[C@@H]([C@@H](C)NCc2ccc(N3CCOCC3)cc2)C1	775348741	IUZPDLNIQAVPKL-SJLPKXTDSA-N	361.486	2.480	10	10	FECE	
C[C@H]1CO[C@H](C)CN1CCNC(=O)c1cc2cc(O)c(O)cc2s1	898668707	JTEKLIDNPDIILP-WDEREUQCSA-N	350.440	2.152	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)CC[C@@H]1CC[C@H](C2OCCO2)O1	896401669	XOBNDMTXQRYPCJ-ZWKOTPCHSA-N	362.470	2.378	10	10	FECE	
C[C@@H]1[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)CC(=O)N1Cc1ccccc1	799087767	OESMMELHRGQOFO-CEXVDSSSSA-N	366.417	2.417	10	10	FECE	
CN(C)CCN(CC(=O)O)Cc1cc(Cl)cc(Br)c1O	708089282	LAGWNMYNBLYDHY-UHFFFAOYSA-N	365.655	2.256	10	10	FECE	
CC(C)(C)OC(=O)N[C@](C)(C(=O)NCCc1ccc(O)c(O)c1)C(F)F	2124281892	ZPDAUTILNYNBNN-KRWDZBQOSA-N	374.384	2.305	10	10	FECE	
Oc1ccc(CNC[C@@]23CN(Cc4ccccc4)C[C@H]2CCO3)c(O)c1	2118580600	FEZBVILBBHWAHZ-WIYYLYMNSA-N	354.450	2.479	10	10	FECE	
C[C@]1(CNC(=O)c2cc(O)c(O)c(O)c2)CCN(Cc2ccccc2)C1	2132348204	GJSJUVWFQSGUFR-HXUWFJFHSA-N	356.422	2.445	10	10	FECE	
COC(=O)COc1ccc([C@H](C)NC(=O)Cc2ccc(O)c(O)c2)cc1	1296150700	SHAWXVZFXSOWIB-LBPRGKRZSA-N	359.378	2.070	10	10	FECE	
COc1ccc(CCC(=O)NCc2cccc(O)c2O)c(OC)c1OC	1528770940	HPJZLVMRTBXQKU-UHFFFAOYSA-N	361.394	2.373	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](O)Cc1cccc(OC)c1	1467841254	VCWWPRIHOGUYTF-HNNXBMFYSA-N	350.411	2.106	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)c2cc3c(cc2O)OCO3)N(C)C)cc1	1472281496	XUKNKXWEADIXHP-MRXNPFEDSA-N	371.437	2.220	10	10	FECE	
Cn1ccnc1C(NC(=O)NCc1cc(Cl)ccc1O)c1nccn1C	1478996590	FIRVRPOJECALIN-UHFFFAOYSA-N	374.832	2.101	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1	1558175596	WYVMFXCLELPTAR-NSHDSACASA-N	362.332	2.045	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cccc(OC)n1	1566850127	XDXISUBOXVMRDZ-UHFFFAOYSA-N	364.785	2.265	10	10	FECE	
Cc1cc(CN2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC2)on1	1587616997	BKDLMPIAMPPIQP-UHFFFAOYSA-N	356.386	2.103	10	10	FECE	
COc1cccc(O)c1CNCc1c(I)cnn1C	865868749	WZNFNCAEZIRQQC-UHFFFAOYSA-N	373.194	2.029	10	10	FECE	
C[C@@H]1CCN([C@@H](CN)c2ccc(N(C)C)cc2)C[C@H]1NC(=O)C(F)(F)F	2194826469	ZEFIBDJTBSRGAA-WQVCFCJDSA-N	372.435	2.141	10	10	FECE	
CCC1(CNC(=O)c2ccc(O)c(O)c2)CN(C(=O)OC(C)(C)C)C1	2057846850	WDYRIQCQMUXWCM-UHFFFAOYSA-N	350.415	2.475	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C1	2063391207	MWQHWNZNAIMWQT-LRDDRELGSA-N	353.423	2.050	10	10	FECE	
C[C@@H]1CN(CC(=O)N(C)c2ccc(N)cc2)C[C@@H]1NC(=O)OC(C)(C)C	2106661474	DKRYKJRKGMRAOA-CJNGLKHVSA-N	362.474	2.077	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@H]2Nc1c(N)cccc1C(N)=O	2108835855	YJBFBSQFXHGMQH-BVIHXZOGSA-N	360.458	2.471	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1CC(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-]	2218735697	QTBIDUZEQOCAIR-ZDEQEGDKSA-N	353.423	2.264	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])CO1	2312333879	DOKHNVPSMTZDND-XQHKEYJVSA-N	353.423	2.264	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCO[C@@H](c2nccs2)C1	171662385	VJIXCDKHDQZEAL-QGZVFWFLSA-N	374.510	2.241	10	10	FECE	
CN1C(=O)CNC[C@H]1c1cc(Br)cc(Br)c1O	1952075997	UOFIMEMXQXOQOC-VIFPVBQESA-N	364.037	2.020	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@]1(C(=O)N1CCc3cc(O)c(O)cc3C1)C2	2366901605	BCBNSKHRBIPPOU-KWUMSVIQSA-N	374.437	2.382	10	10	FECE	
OC[C@@]1(NCc2ccc(N3CCOCC3)cc2)CCOc2ccccc21	374137221	SPYCZGCCRJDMAU-NRFANRHFSA-N	354.450	2.283	10	10	FECE	
CN(Cc1ccc(N)cc1)C(=O)[C@H]1CC[C@H](C(=O)O)N1Cc1ccccc1	2162607818	SLWAZCGIKXIFHJ-RTBURBONSA-N	367.449	2.345	10	10	FECE	
COc1cccc(N2C[C@H](NCc3cc4c(cc3O)OCO4)CC2=O)c1	725852779	HHIKTRAAVFPGPA-CYBMUJFWSA-N	356.378	2.025	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)N[C@@H]3CCC[C@@H]3C)CC2)cc1	729605535	CHGBZPWRFPWIDJ-QFBILLFUSA-N	360.502	2.305	10	10	FECE	
Oc1cc(Br)ccc1CN1CCC(N2CC[C@@H](O)C2)CC1	827698650	ADTMYXPUBVOMRF-OAHLLOKOSA-N	355.276	2.186	10	10	FECE	
COc1ccc(CNC(=O)Cc2sc(-c3ccn(C)n3)nc2C)c(O)c1	907925286	FRFLDFSYWNINRW-UHFFFAOYSA-N	372.450	2.425	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc2c(c1)CCO2	734700730	BMOPZIHZEPETRX-UHFFFAOYSA-N	353.422	2.251	10	10	FECE	
COC(=O)C1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCSCC1	901231686	ZXYQVHWQBUNURI-UHFFFAOYSA-N	367.448	2.481	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](NC(=O)c2cccc(O)c2O)C1	834224156	OQBJEPUABZJISM-GFCCVEGCSA-N	372.368	2.472	10	10	FECE	
Cc1cc(CC(=O)NCc2nnc3n2CCOC3)c(C)n1-c1ccccc1	834359546	CEFMQTOXCUNVDE-UHFFFAOYSA-N	365.437	2.075	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)NC[C@@H]3CC3(C)C)CC2)cc1	732823892	HUKFDTKBVPRIKV-INIZCTEOSA-N	360.502	2.163	10	10	FECE	
CC1(C)CCC[C@@H](OC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1=O	840219618	XSPWIOKONLOTQK-CYBMUJFWSA-N	355.412	2.068	10	10	FECE	
C[C@@H](NC[C@H]1CN(C2CC2)C(=O)O1)c1ccc(N2CCOCC2)c(F)c1	848570457	LJBMMMUOONCKTG-CJNGLKHVSA-N	363.433	2.296	10	10	FECE	
COc1cccc([C@H](C)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)c1O	846171133	DGKGTOJAAJPNSJ-QWHCGFSZSA-N	363.435	2.286	10	10	FECE	
COc1ccc(N2CCN(CCc3nnnn3-c3ccccc3)CC2)cc1	916985222	YILPUFNGKWAUMF-UHFFFAOYSA-N	364.453	2.036	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCc1ccc([C@@H](C)N)cc1	842152694	HYFMOIOKHTWRGQ-OAHLLOKOSA-N	368.481	2.013	10	10	FECE	
CCO[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)CN(C)C	926966627	XOWAREJOVVUUPC-RDJZCZTQSA-N	353.482	2.280	10	10	FECE	
COC(=O)[C@@H]1CN(Cc2ccc(N3CCC(OC)CC3)cc2)C[C@@H](C)O1	859654625	SFOBNCRKHPDAEF-BEFAXECRSA-N	362.470	2.064	10	10	FECE	
CCn1cc(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)ccc1=O	853817806	NJVHQSSSPOKNJA-HNNXBMFYSA-N	356.426	2.277	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCO[C@@H](C4CCC4)C3)C2)cc1	852449455	TYBHNHXMZYYMOY-VQIMIIECSA-N	359.470	2.484	10	10	FECE	
CC[C@@H](CC(F)F)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	855396731	VJNLKYITDSPHRL-AWEZNQCLSA-N	374.453	2.219	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H]2CCNC(=O)CC2)cc1	861995734	DXMSTZRIIRNYAQ-GOSISDBHSA-N	367.449	2.234	10	10	FECE	
COC[C@@H](C)CNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	768725500	PHOZVPAWMDBLOR-KRWDZBQOSA-N	374.529	2.300	10	10	FECE	
COC(=O)[C@@H]1O[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C[C@H]1C	865031634	NGCQXOVDQSVOOP-ZTFGCOKTSA-N	360.454	2.260	10	10	FECE	
COC(=O)/C=C/c1ccc(N(C)[C@@H](CO)COC(C)C)c([N+](=O)[O-])c1	763061304	ZSIYBGVCYUVVKS-OWNNVSBGSA-N	352.387	2.003	10	10	FECE	
Cc1cncc(/C=C/C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1	772029270	JZYQFLZZQFNXSK-QPJJXVBHSA-N	371.462	2.243	10	10	FECE	
CN(C)[C@@H]1CCOc2c(NC(=O)C(=O)NCc3ccccc3O)cccc21	789435524	YCLLXTXEJBBRSG-MRXNPFEDSA-N	369.421	2.032	10	10	FECE	
COC(=O)C[C@@H]1CC[C@H](NC(=O)N[C@H](C)c2cc(OC)ccc2O)C1	899116318	MNUPJZJFRUQLOU-UPJWGTAASA-N	350.415	2.493	10	10	FECE	
COc1ccc(CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)c(O)c1	792893785	ZDWQVPJWWMOBOU-QGZVFWFLSA-N	357.454	2.373	10	10	FECE	
CN(C(=O)CN1CC2(C1)CN(Cc1ccccc1)C2)c1ccc(N)cc1	706156911	NNHFLBPZYGHAGI-UHFFFAOYSA-N	350.466	2.049	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)N3CC(C)(F)C3)cc2F)CC1	792072780	AGYBVMOFFUNKSF-UHFFFAOYSA-N	352.429	2.221	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)NCCN3CC[C@H](O)C3)c2C)c1	1313132784	QUWJPBAYJGGEGP-FQEVSTJZSA-N	370.497	2.268	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2124505204	IZNJGALMCIEIMI-MELADBBJSA-N	367.450	2.417	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCCN(CC(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1	2124505385	KXWNDWNTWMBYJG-KBPBESRZSA-N	366.466	2.134	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCO[C@@]3(CCSC3)C2)c([N+](=O)[O-])c1	1328136078	YWBFOBRJMXXEPK-RCFWFJCLSA-N	364.423	2.493	10	10	FECE	
CN1CCN(c2ccc(CNc3ccc([N+](=O)[O-])c(C(N)=O)c3)cc2)CC1	1187463345	VOTBMFFSOMRYNF-UHFFFAOYSA-N	369.425	2.058	10	10	FECE	
C[C@H](NC(=O)Cn1ncc(=O)c2ccccc21)c1ccc(N(C)C)cc1	1269588429	RCWYOWXEKVODQK-AWEZNQCLSA-N	350.422	2.340	10	10	FECE	
C[C@H](N=c1nc([C@H](C)NC(=O)OC(C)(C)C)[nH][nH]1)c1c(O)cccc1O	2130119559	SAKRHPRSRSIJRL-UWVGGRQHSA-N	363.418	2.397	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C)CCCN(C(=O)c2cc(O)c(O)c(O)c2)C1	2132393324	SXOKLOXENVGUKA-GOSISDBHSA-N	366.414	2.323	10	10	FECE	
CO[C@H]1CC[C@@H]1N(C)C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	1354452793	HGMWYELOECWEPG-OALUTQOASA-N	373.497	2.175	10	10	FECE	
CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1ccc(N=NC(N)=O)cc1)CC2	1444552082	IMLMOTUUKZAPCA-LSDHHAIUSA-N	360.414	2.241	10	10	FECE	
COc1nc(C)ccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1539708033	VJTOJAAKOZXXPB-SFHVURJKSA-N	356.470	2.497	10	10	FECE	
CCCOC(=O)c1ccc(NC(=O)/C(=C\C2=S=CC=C2)NC(C)=O)cc1	1618690993	WDSMZYKVFZUIJV-SFQUDFHCSA-N	372.446	2.490	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@H](N(C)C)C1	1627013558	FPEQUAMFCLZDMD-RDJZCZTQSA-N	362.470	2.404	10	10	FECE	
O=C(CCCOc1ccc2c(c1)NC(=O)CC2)NCc1c(O)cccc1O	1558533780	JUTWZVTXCNUCQD-UHFFFAOYSA-N	370.405	2.458	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)N(C)C)cc1	1637004510	DIKSXAPRJAOFTP-GOSISDBHSA-N	371.441	2.276	10	10	FECE	
CCOC(=O)N1CSC[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2	1566360093	YGRUHRGKEJIDOB-HNNXBMFYSA-N	364.467	2.419	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNC(=O)c3cccc(O)c3O)[C@@H]2C1	2138562177	XJVOLKLFCBOJSX-KWCYVHTRSA-N	362.426	2.331	10	10	FECE	
C[C@@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1O)N(C)C	1761403125	FXPYPJJMEYUZIF-AWEZNQCLSA-N	367.457	2.027	10	10	FECE	
CC(C)[C@@H](NC(=O)N(C)Cc1ccccc1O)c1nc(-c2nnc[nH]2)no1	151695562	WEDCZZUAQSACPR-CYBMUJFWSA-N	371.401	2.099	10	10	FECE	
CCOC(=O)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1866121422	PHDUAVQWEPUZOW-GOSISDBHSA-N	361.486	2.349	10	10	FECE	
COCCCNC(=O)c1c(NS(=O)(=O)C2CC2)sc2c1CCCC2	1871343058	ZWGWCMGUQBYVFZ-UHFFFAOYSA-N	372.512	2.297	10	10	FECE	
O=C([C@@H]1CCc2nncn2CC1)N(Cc1ccccc1O)C[C@H]1CCCO1	878779902	CTFSNCMZQLVEDK-NVXWUHKLSA-N	370.453	2.144	10	10	FECE	
CC(C)(C)OC(=O)N1Cc2nccn2C[C@@H](NCc2ccccc2O)C1	1967902178	QQPRTAOPAUWKPL-OAHLLOKOSA-N	358.442	2.498	10	10	FECE	
CCOC1(C(=O)O)CN(Cc2cc(Cl)cc(Br)c2O)C1	1972382004	JPSINJWVKTZYRK-UHFFFAOYSA-N	364.623	2.484	10	10	FECE	
CC(C)(C)OC(=O)N1CCCO[C@H](CNCc2cccc(O)c2O)C1	389938136	XMSITUNHGAQSPT-CQSZACIVSA-N	352.431	2.213	10	10	FECE	
Cc1cccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c1O	2052720339	JWRBZPMKUZYODX-JKSUJKDBSA-N	350.459	2.408	10	10	FECE	
C[C@@](NC(=O)C(F)(F)F)(C(=O)N1CCC[C@H]1CN=[N+]=[N-])C(F)(F)F	2060639616	KADAXAADYQKABA-IMTBSYHQSA-N	361.246	2.287	10	10	FECE	
CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Nc1c(N)cccc1C(N)=O	2084783599	NTABTYXHYJYNFF-OLZOCXBDSA-N	366.487	2.131	10	10	FECE	
COc1ccc(N2CCC[C@H](N(CCO)C(=O)OC(C)(C)C)C2)c(N)c1	2106838138	GBMIXMWRUZFFGN-AWEZNQCLSA-N	365.474	2.476	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)CCOc3ccc(N)cc3)C[C@@H]21	2107818410	YOVGRSYHWVSWJM-QLPKVWCKSA-N	361.442	2.019	10	10	FECE	
CCOC(=O)c1cccc(N)c1N[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C	2108845417	IHUXDAWOPOVEKR-ZIAGYGMSSA-N	365.430	2.150	10	10	FECE	
CC(C)(C)OC(=O)N1CCN2CCOC[C@@]2(CNc2ccc(N)cc2)C1	2272555095	NLDISQHHPDXIJS-LJQANCHMSA-N	362.474	2.002	10	10	FECE	
CCOc1cc(C=C2SC(=S)N(N3CCOCC3)C2=O)ccc1O	2296160252	IPLCOYXVSNKWPT-UHFFFAOYSA-N	366.464	2.239	10	10	FECE	
COc1ccccc1C=C1C(=O)NC(=O)N(c2ccccc2OC)C1=O	2297315459	KZRFBYUGFMQFSF-UHFFFAOYSA-N	352.346	2.370	10	10	FECE	
COc1cc(C=C2CC(=O)N(CCc3ccccc3)C2=O)cc(O)c1O	2297476221	JTFPJIKOWBAXFX-UHFFFAOYSA-N	353.374	2.491	10	10	FECE	
CN1CCC[C@H]2CN(C(=O)C=Cc3ccc(N4CCOCC4)cc3)CC[C@@H]21	2300813282	MFJOLVBXBISXKJ-FPOVZHCZSA-N	369.509	2.479	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1nnc(C2CC2)n1C	111238307	JBCNBAXROLWUBO-UHFFFAOYSA-N	364.833	2.227	10	10	FECE	
CCOc1cc(C)nc(N2CCN(Cc3cc([N+](=O)[O-])ccc3O)CC2)n1	170943532	JDUIRTGUYIIRSN-UHFFFAOYSA-N	373.413	2.120	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N1CC[C@@](O)(C(F)(F)F)C1	255106190	BSWGBJCXJQLEGU-SVEBXFOSSA-N	370.371	2.062	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N1CCN2CCCC[C@@H]2C1	255372220	GWKMSDRJWXKIEC-QKWWCAPFSA-N	355.482	2.233	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N(C[C@H]2CCCO2)c2ccncc2)c1	255336332	VHLRDESTTFVLKF-PYTPGESOSA-N	366.421	2.062	10	10	FECE	
COc1cc(O)c(CN[C@@H]2CCCN(c3cc(C)nn3C)C2)cc1OC	278763470	UBIXXKVZLQXKQP-OAHLLOKOSA-N	360.458	2.210	10	10	FECE	
COC(=O)c1ccc(C(=O)NCc2cc(Br)ccc2O)nc1	804737334	OWSLNKHZGZOBSW-UHFFFAOYSA-N	365.183	2.266	10	10	FECE	
CS(=O)(=O)N1CC[C@H](CN(Cc2ccccc2O)C2CCCC2)C1	801517038	JNNSWQVRGKYBJR-OAHLLOKOSA-N	352.500	2.418	10	10	FECE	
COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1cc(Cl)c(F)cc1O	816521828	ZTIHKQKMMZQBDE-QHSBEEBCSA-N	371.792	2.110	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Nc3nc4n(n3)CCCC4)C2)cc1	823736016	PFGPEOGROWXFEI-CYBMUJFWSA-N	356.430	2.023	10	10	FECE	
NC[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1	827567603	RNBIBIRYCBWJHE-LJQANCHMSA-N	357.429	2.021	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cccc4nc(CO)[nH]c34)CC2)cc1	905105033	UQYCWWGZSHNZQP-UHFFFAOYSA-N	366.421	2.026	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)[C@]23C[C@H]4C[C@@H](C(=O)N2)[C@H]3C4)cc1F	845469564	URTFHYNVPKNECI-LYKCQVCGSA-N	359.445	2.203	10	10	FECE	
O=C(O)/C=C\c1ccc(N2CCOC3(CCOCC3)CC2)c([N+](=O)[O-])c1	844213563	JLZVCAPRYMATKE-RQOWECAXSA-N	362.382	2.469	10	10	FECE	
CC[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCCCO1	848936630	HMQBTJPFWDIVAK-JLSDUUJJSA-N	361.486	2.394	10	10	FECE	
COc1ccc([C@@H]2CCNC[C@@H]2NCc2cc3c(cc2O)OCO3)cc1	849350140	RWCVTCROLTWBMI-IRXDYDNUSA-N	356.422	2.365	10	10	FECE	
C[C@@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCOCC1	755608730	NHMRESDLTOGXEZ-CRAIPNDOSA-N	373.497	2.067	10	10	FECE	
COc1ccc(C2CC2)c(NC(=O)C(=O)NCCc2ccc(N)cc2)c1	868246535	SODQGESKIKSLFC-UHFFFAOYSA-N	353.422	2.452	10	10	FECE	
CCN(CC)c1ccc(CN(C)CCN2CCCS2(=O)=O)cc1F	769557736	PWVCXKDTJSTQKB-UHFFFAOYSA-N	357.495	2.139	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccnn2C2CCCC2)c1	769753941	QQZMZDGBLNQSDQ-UHFFFAOYSA-N	364.427	2.328	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)[C@@H](C)O1	868896847	KBCQEUJLTTZNEC-SPYBWZPUSA-N	361.486	2.260	10	10	FECE	
Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773991609	ZPJSROLDTAXTTB-LLVKDONJSA-N	367.496	2.261	10	10	FECE	
CN1CCCc2cc(CNC(=O)C3CCC(S(C)(=O)=O)CC3)ccc21	878533825	CBEDHKZAFCRGFO-UHFFFAOYSA-N	364.511	2.289	10	10	FECE	
Cc1cc(CC(=O)N2C[C@@H](CO)[C@H](CCO)C2)c(C)n1-c1ccccc1	1124105619	NWSVITATSYCRMB-MJGOQNOKSA-N	356.466	2.086	10	10	FECE	
Cc1cc(C(=O)CN2C[C@H](O)C[C@H]2C)c(C)n1-c1ccc2c(c1)OCO2	788275899	QBBFYIVLIIRHQS-MLGOLLRUSA-N	356.422	2.461	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NCc1cc(C2CC2)no1	897488529	FKYGKERNKKKXNC-UHFFFAOYSA-N	368.437	2.085	10	10	FECE	
CN1CCc2cc(CNC[C@@]3(O)CCN(Cc4ccccc4)C3)ccc21	702588441	SKHINSWMFSKILP-QFIPXVFZSA-N	351.494	2.406	10	10	FECE	
O=S1(=O)CCC[C@@H]1CCNCc1cc(Br)cc(F)c1O	715792176	OMOMLZYFKVAOFK-LLVKDONJSA-N	366.252	2.351	10	10	FECE	
O=C(c1cccc(O)c1O)N1CCC(n2c(O)nc3cccnc32)CC1	1303537714	RCXZDRILGNUIQS-UHFFFAOYSA-N	354.366	2.025	10	10	FECE	
Cc1cc(C(=O)Nn2ccc(O)nc2=O)c(C)n1-c1ccc(Cl)cc1	1168868483	DNDREWNDANJQKW-UHFFFAOYSA-N	358.785	2.394	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H](O)CCN1C(=O)OC(C)(C)C	2124384850	BECKUKXPQYIZBE-CABCVRRESA-N	364.442	2.111	10	10	FECE	
COc1ccc(N2CCN(C(=O)COc3ccsn3)CC2)cc1F	1294822871	APMZQGVYIKWQEB-UHFFFAOYSA-N	351.403	2.018	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1=CS(=O)(=O)CCC1	1451673971	VSEQGNQQDZNYAK-AWEZNQCLSA-N	350.484	2.201	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C(C)(C)C)n1C[C@H]1COCCO1	1554174832	KEMWUUCNYKDDBK-HNNXBMFYSA-N	360.458	2.333	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)NCC[C@@H]3C(=O)NN=C3C)c2C)cc1	1628270611	XGNIONJBCQVQOG-KRWDZBQOSA-N	368.437	2.345	10	10	FECE	
Cc1cc(Cn2nnc(C(=O)NCc3cccc(Cl)c3O)c2C)no1	1637226820	ASDHODPOFUBQDQ-UHFFFAOYSA-N	361.789	2.220	10	10	FECE	
C[C@@]1(C2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC2)COC(=O)N1	1644861346	ZRMDVNOYFYECMZ-KRWDZBQOSA-N	359.386	2.200	10	10	FECE	
Cc1cccc(CNC(=O)COC2(C)CN(C(=O)OC(C)(C)C)C2)c1O	2139741151	IGQWUDVNBMJKGT-UHFFFAOYSA-N	364.442	2.343	10	10	FECE	
Cc1cccc(CNCC2=NO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1O	2139758662	STDUZNWQTPYVQQ-ZBFHGGJFSA-N	361.442	2.412	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H](N)Cc3ccc(F)cc3)CC2)cc1	1866337926	JCUMRLSLJOZJMZ-IBGZPJMESA-N	357.429	2.053	10	10	FECE	
CCOc1cccc(CNCC2(NC(=O)OC(C)(C)C)COC2)c1O	1967809870	UTILZUNBEOWXAH-UHFFFAOYSA-N	352.431	2.174	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC(NC(=O)OCc2ccccc2)C1	1999444389	YPEYLFADUAZKFR-AWEZNQCLSA-N	368.437	2.206	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C(CNCc3cc4c(cc3O)OCO4)[C@H]2C1	922787346	FKMWNUAWROPWEF-ZIAGYGMSSA-N	362.426	2.323	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](F)CN1C(=O)c1ccc(O)c(O)c1	2054411525	ZQSVHTHHWROUSR-NEPJUHHUSA-N	354.378	2.175	10	10	FECE	
CO[C@H]1C[C@H](C(=O)NCC2(CN=[N+]=[N-])CC2)N(C(=O)OC(C)(C)C)C1	2060615718	RLKPXLLQHOIUGM-NWDGAFQWSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CC[C@H](O)[C@@H](F)C3)ccc(N)c2C1	2088319475	AICOAABNCDREIK-YOEHRIQHSA-N	365.449	2.471	10	10	FECE	
C[C@@H]1CC[C@H](S(C)(=O)=O)CN1c1ccc(CN)cc1Br	2279326873	CYFAJHUEEPAAHI-PWSUYJOCSA-N	361.305	2.310	10	10	FECE	
CC(C)(C)OC(=O)N(CCCO)CCC(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2319869443	AEVKSRJWBAQLIY-OLZOCXBDSA-N	355.439	2.344	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnc(N4CCCC4)nc3)CC2)cc1	9833151	ICCWVRDWAURFKP-UHFFFAOYSA-N	367.453	2.048	10	10	FECE	
CS(=O)(=O)N[C@H]1CCN(Cc2c(O)ccc3oc4c(c23)CCCC4)C1	116869267	BRFLNIQCQAAHLD-LBPRGKRZSA-N	364.467	2.141	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)N1C[C@H](C)c2ccccc21	134611793	DZEFFXFNKQUXKU-QWHCGFSZSA-N	354.406	2.295	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCCSCC1	80048967	ALMRXAMCVJLSEA-UHFFFAOYSA-N	367.490	2.435	10	10	FECE	
COc1cccc(CNC(=O)N[C@H]2CCCN(c3ccccc3)C2=O)c1O	365729123	AAJWVKRQJHMCBF-INIZCTEOSA-N	369.421	2.396	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)C(C)(C)C(N)=O)C1	452628768	SXUNLGDSEFVNAN-UHFFFAOYSA-N	370.497	2.130	10	10	FECE	
CO[C@@H]1CCCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	292738037	HCXLZVYFCYGRGB-CRAIPNDOSA-N	350.434	2.484	10	10	FECE	
CC1(C)NC(=O)CC[C@H]1NCc1ccc(N2CCN(CC3CC3)CC2)cc1	813859686	XPXIDLLVDUDCCO-HXUWFJFHSA-N	370.541	2.365	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCC[C@H](n3cc(C(=O)O)nn3)C2)cc1	901523426	FWRJGWLVDVQNBL-IVZVJUQRSA-N	355.442	2.393	10	10	FECE	
C[C@@H]1C[C@H](S(=O)(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CCO1	830200547	NKJBUHGJOKRTQH-IIDMSEBBSA-N	368.499	2.071	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)c3nc(C)c(C)s3)C2)cc1	849416323	OXZRNYZYOJUOMO-CYBMUJFWSA-N	367.496	2.326	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1CNc2ccccc2C1	846137151	AHTUVMSACWDCJV-SFHVURJKSA-N	366.465	2.359	10	10	FECE	
C[C@H](NC[C@@]1(CO)COCCN1Cc1ccccc1)c1ccc(F)cc1O	850555573	OWOHBSHWCAJSNA-HRAATJIYSA-N	374.456	2.445	10	10	FECE	
CC[C@H]1NC(=O)N(Cc2ccc(N3CCN(CC4CC4)CC3)cc2)C1=O	777673815	QERONGXKJCZIKH-GOSISDBHSA-N	356.470	2.049	10	10	FECE	
C[C@@H]1O[C@H](C)CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@@H]1C	782559527	RMQSJYHSAAZNOH-KFWWJZLASA-N	365.449	2.370	10	10	FECE	
COCCO[C@@H]1CCN(Cc2c(C(=O)OC)n(C)c3ccc(F)cc23)C1	894530139	CLYKZUYGWQAAKU-CQSZACIVSA-N	364.417	2.341	10	10	FECE	
C[C@H](Cn1ccnc1)NC(=O)NCc1cc(Br)ccc1O	794805912	XLXFYFUGUIBAAM-SNVBAGLBSA-N	353.220	2.239	10	10	FECE	
COc1ccc(N2CCN(CCN[C@@H]3CCN(C)[C@@H]4CCC[C@H]34)CC2)cc1	796728543	OAJCLMQDWIDBID-YPAWHYETSA-N	372.557	2.280	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2O)N(C)C)cc1	1304769720	YZFHWQPJMOCMQS-KRWDZBQOSA-N	372.425	2.399	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)CC1	2132417369	CUNCGNHRXSMLDB-HAQNSBGRSA-N	366.414	2.369	10	10	FECE	
O=C(NCc1cccc(O)c1O)[C@H]1CCCCN1C(=O)c1ccccc1	1347530895	LGRNMNGNIUWXCN-MRXNPFEDSA-N	354.406	2.409	10	10	FECE	
COc1cc(OC)cc(N2CC[C@H](NC(=O)Cc3ccc(O)c(O)c3)C2)c1	1294290885	JAVVRZFPNRYIRI-AWEZNQCLSA-N	372.421	2.053	10	10	FECE	
CCS[C@H](C)c1noc(CN(C)C(=O)Cc2ccc(O)c(O)c2)n1	1295018833	ZMAQSDLDLHJCLV-SNVBAGLBSA-N	351.428	2.496	10	10	FECE	
COc1ccc(CN[C@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)cc1C	1918667003	BQNUEHXMONKTCX-CQSZACIVSA-N	350.459	2.464	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc2cccn2cn1	1639588146	UZLGBDQOTJLLTC-UHFFFAOYSA-N	353.378	2.245	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N2CC(=O)N(C)[C@H](C)C2)CCCC1	1633765204	NAHWMLXMVUUKIH-CQSZACIVSA-N	369.465	2.218	10	10	FECE	
O=C(CNC(=O)c1ccccc1C(F)(F)F)NCc1cc(O)ccc1O	1633595442	WDGYMXXPVHAOML-UHFFFAOYSA-N	368.311	2.163	10	10	FECE	
COc1ccc(OC)c(NC(=O)C(=O)NCc2cc(Cl)ccc2O)c1	1640920354	OZCYBEFSIIILMQ-UHFFFAOYSA-N	364.785	2.318	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@H](C2CC2)C2(CO)CCOCC2)cc1	1643972787	VLRQPTPSAYTGTB-OAHLLOKOSA-N	360.414	2.147	10	10	FECE	
COC(=O)CCN1C(=O)/C(=C\c2ccc(OC)cc2OC)SC1=S	206830361	MJTSJSIXJPNQSH-MDWZMJQESA-N	367.448	2.468	10	10	FECE	
CCc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)O)[C@H](C)O)C2=O)cc1	1858592812	YDCVDAVVJARLBD-QUMQCBJBSA-N	351.449	2.284	10	10	FECE	
Cc1ccc(O)c(CNCCn2cc(I)cn2)c1	1964614028	ILLZACBOTXJDBZ-UHFFFAOYSA-N	357.195	2.292	10	10	FECE	
OC[C@H]1CO[C@H](CNCc2cc(Cl)cc(Br)c2O)C1	1966088392	PRSLZOXGLQEVTD-KWQFWETISA-N	350.640	2.295	10	10	FECE	
CO[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1ccccc1O	1969155161	UVFXNLWZAVAFBD-ZBFHGGJFSA-N	364.442	2.280	10	10	FECE	
C[C@H](c1cc(Br)ccc1O)N(C)CCN(C)S(C)(=O)=O	2146942394	ANKABEJUALNQGL-SNVBAGLBSA-N	365.293	2.039	10	10	FECE	
C[C@H](O)c1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@H]32)cc1Br	2151273731	QGXPYACMRWRHLC-IMSIIYSGSA-N	360.273	2.126	10	10	FECE	
COc1ccc(O)c(CN[C@H]2[C@H]3OCC[C@@H]3[C@H]2NC(=O)OC(C)(C)C)c1	311293848	HABOFGPVRNTYEK-DZUCGIPZSA-N	364.442	2.171	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@H]2C(=O)C(=O)C[C@H]1C[C@H](N)C1	2049787266	WIZFQMSEOSZNIE-QAUDVVSPSA-N	350.459	2.191	10	10	FECE	
Nc1ccc(OCCN2CC[C@@](CNC(=O)C(F)(F)F)(C3CC3)C2)cc1	2163022207	WPZNVLOTUSHTFN-KRWDZBQOSA-N	371.403	2.428	10	10	FECE	
CN1CCc2cc([C@H](CN)N3CC4(CCN4C(=O)OC(C)(C)C)C3)ccc21	2194899347	KDOGOHRNGFGTEB-SFHVURJKSA-N	372.513	2.374	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21	2060635825	PSHHCUOJCLXFBQ-JHJVBQTASA-N	353.423	2.027	10	10	FECE	
C[C@@H](NC(=O)C1(N(C)C(=O)OC(C)(C)C)COC1)c1ccccc1O	2072478815	AUWGAZOVSFHITB-GFCCVEGCSA-N	350.415	2.205	10	10	FECE	
C[C@H](CCS(C)(=O)=O)N(C)Cc1ccc(Br)cc1O	2104455683	HAFKDYAMBICQIX-SNVBAGLBSA-N	350.278	2.410	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-]	2218746247	VYWWOSWCOCPJTJ-ZDEQEGDKSA-N	353.423	2.216	10	10	FECE	
COc1ccc(O)c(CNC[C@H]2C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c1	2330273692	BQJFCYSJAOHNQL-SRCQZFHVSA-N	366.458	2.155	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@H](CN(Cc3ccc(N)cc3)C2)[C@H]1CO	2333919673	POOXXKHTPNQUNF-ATLSCFEFSA-N	361.486	2.222	10	10	FECE	
CCOC(=O)N1CCN(Cc2c(O)cc(C)c3c(C)cc(=O)oc23)CC1	20898247	CVOIJWRTIOKAPV-UHFFFAOYSA-N	360.410	2.390	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CCCC[C@H]1CO	175974314	VWUJIKSDKQJMAF-DOTOQJQBSA-N	365.449	2.013	10	10	FECE	
COc1cccc(CNC(=O)NCCCNC(=O)OC(C)(C)C)c1O	266741742	BOBIBWGRPTTWFM-UHFFFAOYSA-N	353.419	2.115	10	10	FECE	
CC[C@H]1NC(=O)N(Cc2ccc(N3CCOCC3)cc2C(F)(F)F)C1=O	272256890	LUWISOQTGQWDIA-CQSZACIVSA-N	371.359	2.372	10	10	FECE	
O=C1[C@@H]2[C@@H]3CCC[C@@H]3CN2C(=O)N1Cc1ccc(N2CCOCC2)c(F)c1	277426261	RLOHXNUTYIGXFS-RKVPGOIHSA-N	373.428	2.225	10	10	FECE	
Cc1ccc(CN2CC[C@@H]3CS(=O)(=O)C[C@@H]32)c(O)c1Br	2380714387	VKFTVSILIBTXEO-NEPJUHHUSA-N	360.273	2.082	10	10	FECE	
CN1CCc2cc([C@H](N)[C@]3(O)C[C@@H]4[C@@H]3CCN4C(=O)OC(C)(C)C)ccc21	2163141586	WACONZKNFSVWQO-DKXUYOFUSA-N	373.497	2.439	10	10	FECE	
CN(C(=O)CN(C)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)c1ccc(N)cc1	2163031008	ZHCIVOSDROIYHA-ALXJQNPVSA-N	374.485	2.029	10	10	FECE	
CC(C)C(=O)N1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CC1	817908060	NBLHYISZZJCTEE-UHFFFAOYSA-N	372.494	2.257	10	10	FECE	
CCOC(CC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)OCC	819587879	IULGSFXIJYJRIR-OAHLLOKOSA-N	350.459	2.427	10	10	FECE	
CO[C@]12CCC[C@@]1(C(=O)NCc1ccc(N3CCC(O)CC3)cc1)CCO2	824711928	LWAJFQKGOLXQOA-SFTDATJTSA-N	374.481	2.197	10	10	FECE	
Nc1c(C(=O)NCc2cccc(Br)c2O)cnn1C1CC1	907757294	CYJVSVSSDWTOHY-UHFFFAOYSA-N	351.204	2.198	10	10	FECE	
COc1ccc(N2CCC(NC(=O)c3cnn(C4CC4)c3N)CC2)cc1	906512114	OTUXVZRFIPZNRJ-UHFFFAOYSA-N	355.442	2.208	10	10	FECE	
CCn1nc(C(=O)NCc2ccc(N(C)C)cc2)c(=O)c2ccccc21	735630476	HAQKURHKSKMLAS-UHFFFAOYSA-N	350.422	2.412	10	10	FECE	
COc1ccc([C@@H]2[C@@H](C(=O)NCc3ccccc3O)CC(=O)N2C)cc1	734864013	ZUCUVTUIUMNWRR-QFBILLFUSA-N	354.406	2.237	10	10	FECE	
CC[C@@H]1[C@@H](CO)CCN1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	837882834	RJMMBXYPWCORQQ-SZVBFZGTSA-N	361.486	2.387	10	10	FECE	
CC(C)(C)OC(=O)CC1(C(=O)NCc2ccc(O)c(O)c2)CCOCC1	830558812	CLTKQNFISFFXMO-UHFFFAOYSA-N	365.426	2.243	10	10	FECE	
CC[C@H](C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@@H](C)O	842247470	PDHDFEXHEPDJPG-UZLBHIALSA-N	359.514	2.242	10	10	FECE	
C[C@@H](NC(=O)C(=O)N[C@H](C1CCOCC1)C1CC1)c1ccc(N(C)C)cc1	846735334	QDUTYBXDMTUFSE-KUHUBIRLSA-N	373.497	2.251	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)CSC(C)(C)C)CC2)cc1	742927051	FZJXGSXIWHIXCL-UHFFFAOYSA-N	365.543	2.465	10	10	FECE	
O=C(NCc1noc2c1COCC2)NCc1c(O)ccc2c1CCCC2	927883581	PJEDCCSVMQQVJF-UHFFFAOYSA-N	357.410	2.331	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCC3(CCOCC3)O2)c1	927179640	ZQYQVOLLNLUTHW-ZFWWWQNUSA-N	364.442	2.489	10	10	FECE	
CC(C)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)CC(F)(F)F	856519654	MINSVENKTMVVRI-UHFFFAOYSA-N	368.377	2.472	10	10	FECE	
CCNC(=O)NC(=O)COC(=O)Cc1cc(C)n(-c2ccccc2)c1C	853935462	ZAQZZQQLVGDDPB-UHFFFAOYSA-N	357.410	2.026	10	10	FECE	
COCC(=O)N1CCc2cc(NC(=O)N3Cc4cccc(O)c4C3)ccc21	930981110	RHAJYYLZLTZPKN-UHFFFAOYSA-N	367.405	2.475	10	10	FECE	
CN1CCN(c2ccc(CN[C@](C)(CO)c3cccc(O)c3)cc2)CC1	862433065	SVPNUQXVCNTDTF-OAQYLSRUSA-N	355.482	2.141	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccnn2[C@H](C)C2CC2)c1	760223214	SGAHTGPFRHPCBT-VXGBXAGGSA-N	372.425	2.384	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@@H]3[C@@H]4C[C@@H]5[C@@H]3OC[C@@H]5C4)CC2)cc1	868901719	AFVVEOGHVNRYJR-GYWCDFCBSA-N	371.481	2.340	10	10	FECE	
C[C@H]1CC2(CO1)CC(NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C2	1119756437	LEMZFEXRISWYQL-VNCCEEBVSA-N	359.470	2.004	10	10	FECE	
CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1	775286001	IXCIPPWQPSGNKE-UHFFFAOYSA-N	365.367	2.450	10	10	FECE	
COc1cnccc1[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1	782558632	FIORDGLBGJYDBW-OAHLLOKOSA-N	370.453	2.487	10	10	FECE	
O=C(NCC[C@H]1CCOC1)NCc1ccc(N2CCC(CO)CC2)cc1	784539418	ZIOPECPMHZKTBS-SFHVURJKSA-N	361.486	2.121	10	10	FECE	
COc1cc(Br)cc(CN2CCNC(=O)CC23CCC3)c1O	895928128	HQICIOAZHVRDBU-UHFFFAOYSA-N	369.259	2.408	10	10	FECE	
C[C@H](NC[C@@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1c(O)cccc1O	2116205116	IEVWGLCOQAULBG-BCUIYNNISA-N	366.458	2.413	10	10	FECE	
COc1ccc(O)c([C@H](C)N=c2[nH]ccnc2I)c1	2121641085	BLYDKVMXLRNAHB-QMMMGPOBSA-N	371.178	2.390	10	10	FECE	
CCC(CC)[C@H](O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1256237148	SACZWMWQPHRWJY-RTBURBONSA-N	364.534	2.452	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2CN(c3cc4c(cc3N)OCCO4)C[C@H]21	2132356335	KYCLPZMWAMNJAI-IUODEOHRSA-N	361.442	2.486	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](CO)(NCc2ccc3c(c2)CCO3)C1	2133752747	FXMDXLNPYOGBOP-HXUWFJFHSA-N	362.470	2.473	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CN1CCC(C)CC1	1295590732	PKLYTHASXITBQJ-UHFFFAOYSA-N	368.861	2.279	10	10	FECE	
CCN[C@H](c1ccccc1O)[C@@]1(O)COCCN(C(=O)OC(C)(C)C)C1	1922473868	AWRIAMUPJFYKQW-APWZRJJASA-N	366.458	2.041	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C(C)(C)C)n1C[C@]1(O)CCOC1	1554174583	FWHOGDIGKRKJJH-LJQANCHMSA-N	360.458	2.069	10	10	FECE	
C[C@H](NC(=O)CCCCn1cnc2c(N)ncnc21)c1ccccc1O	1643745825	ZWSYNYWADFMBKH-LBPRGKRZSA-N	354.414	2.162	10	10	FECE	
O=C(Cn1ccccc1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1874180056	XSBINPVRFLCRHC-UHFFFAOYSA-N	358.353	2.262	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@H](NC(=O)OC(C)(C)C)c1cnn(C)c1	2060634743	DCAYGTVTPGTUTB-GFCCVEGCSA-N	351.411	2.145	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)O	2067726884	UUIROPYQZOQGOU-AWEZNQCLSA-N	352.431	2.015	10	10	FECE	
CN[C@@](CSc1nccs1)(C(=O)OC)C1(Br)CC1	2085659392	FJTZDLFOJBLUTI-NSHDSACASA-N	351.291	2.294	10	10	FECE	
COc1ccc(N2CC[C@@H]3OCCN(C(=O)OC(C)(C)C)[C@@H]3C2)c(N)c1	2106845940	JEPMRTWTRAGJJG-SJORKVTESA-N	363.458	2.492	10	10	FECE	
CN(C)CCN(CC(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-])C(=O)OC(C)(C)C	2218737481	HYRAFDWNGMMABP-OLZOCXBDSA-N	354.455	2.133	10	10	FECE	
CNC(=O)c1cncc(C=CC(=O)N(C[C@H]2CCCO2)c2ccncc2)c1	2297573962	VHLRDESTTFVLKF-GOSISDBHSA-N	366.421	2.062	10	10	FECE	
Cc1c(CCNC(=O)C=Cc2cnc(=N)[nH]c2)c2cccc3c2n1CCC3	2297629848	SDLOUUOSRLXCAK-UHFFFAOYSA-N	361.449	2.471	10	10	FECE	
COc1ccc(Br)c(CN2C[C@H](N)CC(F)(F)C2)c1O	1206132285	NXFWQKZEJQOUDV-MRVPVSSYSA-N	351.191	2.332	10	10	FECE	
CC(C)S(=O)(=O)N(C)NCc1cc(Cl)cc(Br)c1O	2339712109	YCYNPJHXQVDOIP-UHFFFAOYSA-N	371.684	2.483	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCc3cc(O)c(O)cc3C2)C1	2341198220	WEIRBEKLIHRUHG-CYBMUJFWSA-N	362.426	2.240	10	10	FECE	
Cn1ccnc1CN1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1	106063741	ABOWUPWJQWLWLP-UHFFFAOYSA-N	358.486	2.447	10	10	FECE	
CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C/c1ccc(C(=O)OC)cc1	103515408	QUICTTLUOYQNEZ-FOWTUZBSSA-N	373.405	2.182	10	10	FECE	
COc1ccc(N2CCN(C=O)CC2)cc1NC(=O)Cc1cccs1	62160223	YRCDKSYENCIZLA-UHFFFAOYSA-N	359.451	2.216	10	10	FECE	
Cc1cc(Br)cc(CN2CCS(=O)(=O)C(C)(C)C2)c1O	180510147	UENVOKGKZPAWFJ-UHFFFAOYSA-N	362.289	2.472	10	10	FECE	
CN1CCC[C@@H]1C(=O)N1CCN(Cc2c(O)ccc3ccccc23)CC1	93821012	VZGUGUDWKPMWJM-LJQANCHMSA-N	353.466	2.284	10	10	FECE	
C[C@H]1C[C@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@@H](C)O1	245698595	BIMQFIDMEFUQDL-MIFYACCESA-N	350.434	2.482	10	10	FECE	
CCCCn1c(N)c(N(CC)C(=O)/C=C\c2cncc(C)c2)c(O)nc1=O	255053472	GRLSYZRTXPMBBN-FPLPWBNLSA-N	371.441	2.101	10	10	FECE	
CN1CCC(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC1	273300126	ZOUUABYYEKFJCT-UHFFFAOYSA-N	359.514	2.243	10	10	FECE	
COC(=O)[C@H]1CN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)CCO1	826003730	VALXKOMZLMISTK-GOSISDBHSA-N	356.422	2.037	10	10	FECE	
O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)c1c(F)ccc(O)c1O	826870255	LJFXPXGDNLLTOQ-SECBINFHSA-N	351.765	2.294	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N2CCCc3cc(OC)ccc32)c1	731964658	LCWNMQYHRKNPOZ-YVMONPNESA-N	351.406	2.442	10	10	FECE	
COc1ccc(N2CCCN(c3nnc([C@H]4CCCO4)n3C)CC2)cc1	834916729	JCMFPUWNASBEMG-QGZVFWFLSA-N	357.458	2.392	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1	840305950	NOILYLUSBWKOGC-BHYGNILZSA-N	360.502	2.335	10	10	FECE	
COc1ccc(N2CC[C@H](N3C(=O)N[C@@H](CC4(OC)CCC4)C3=O)C2)cc1	849358446	WEUGSZHCUFXOBV-RDJZCZTQSA-N	373.453	2.154	10	10	FECE	
Cc1cc(C(=O)CN2C[C@@H]3C[C@H]2C[S@]3=O)c(C)n1-c1ccc(F)cn1	844435153	VVIJILYVXQLUPI-XSKAOVLVSA-N	361.442	2.016	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cnc4c(c3)c(C)nn4C)C2)cc1	855230943	GRXPPMVTIVUNHP-OAHLLOKOSA-N	365.437	2.294	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cc(O)ccc1[N+](=O)[O-]	856213484	NTZWPBUJRRLJCN-UHFFFAOYSA-N	371.393	2.192	10	10	FECE	
O=C(NCC[C@@H]1CCCOC1)NCc1ccc(N2CCOCC2)c(F)c1	858154440	HRIKJTBYMYRPSL-HNNXBMFYSA-N	365.449	2.278	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H](NC(C)=O)C3CCCC3)C2)cc1	855230385	VXKSZMRLWYTMEL-APWZRJJASA-N	359.470	2.085	10	10	FECE	
CN(C)c1ccc(CN2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)cc1	853248695	IPKOYELRHRGPSC-SFHVURJKSA-N	368.529	2.265	10	10	FECE	
CNCCCC(=O)N1CCC(NCc2c(O)cc(C)cc2Cl)CC1	853248549	VOIQCIHYLMCPLW-UHFFFAOYSA-N	353.894	2.434	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC(C4CCOCC4)C3)C2)cc1	854297960	TYHCAALKBKZLCD-QGZVFWFLSA-N	359.470	2.342	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Cc3ccc4c(c3)OCCO4)C2)cc1	855230155	UBNLZAAIJGQJIG-MRXNPFEDSA-N	368.433	2.404	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCCC[C@@H]3C(N)=O)C2)cc1	854300016	OEGLPZWNJSDFGI-JCGIZDLHSA-N	374.485	2.007	10	10	FECE	
CNC(=O)c1cccc(OCC(=O)N[C@H](C)c2cc(OC)ccc2O)c1	760132560	JDUMDGGFKPGUBW-GFCCVEGCSA-N	358.394	2.017	10	10	FECE	
COc1cc(N2CCN(Cc3cc(Cl)cc(F)c3O)CC2)ncn1	764676201	GNIOPYAHJXKRPF-UHFFFAOYSA-N	352.797	2.306	10	10	FECE	
COC(=O)/C=C/c1ccc(N(C)[C@H](CO)COC(C)C)c([N+](=O)[O-])c1	763061302	ZSIYBGVCYUVVKS-IZPAUZPXSA-N	352.387	2.003	10	10	FECE	
O=C1N[C@@H](C2CC2)C(=O)N1Cc1ccc(N2CCN(CC3CC3)CC2)cc1	761933876	VSSYLFHTHXVTNH-IBGZPJMESA-N	368.481	2.049	10	10	FECE	
CN(Cc1cc2c(cc1O)OC[C@@H]2O)Cc1cn(C)nc1C(F)(F)F	768464041	ZEVOALRDBIODSB-ZDUSSCGKSA-N	357.332	2.202	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CCSC(C)(C)C1	1119729766	WJVZEJXXXDRNOL-OAHLLOKOSA-N	363.527	2.468	10	10	FECE	
Cc1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)cc1N(C)C	776434961	TWARVLZLJBCCEW-UHFFFAOYSA-N	350.396	2.266	10	10	FECE	
CS(=O)(=O)c1ccc(OCCC(=O)N2Cc3cccc(O)c3C2)cc1	871201221	SDGFYKBKEPYBFS-UHFFFAOYSA-N	361.419	2.107	10	10	FECE	
CN(C[C@H]1CCCO1)c1nnc(-c2sccc2O)n1C[C@@H]1CCOC1	1123239698	OLPZSFJGDFGRKI-QWHCGFSZSA-N	364.471	2.364	10	10	FECE	
COC(=O)c1c(CN2CCC(C(=O)OC)CC2)c2cc(F)ccc2n1C	893877644	LPICUVVKTRCYCC-UHFFFAOYSA-N	362.401	2.489	10	10	FECE	
COc1cccc(CNCCOCCN(C)C(=O)OC(C)(C)C)c1O	705914132	QGMAQQAKMDCWSA-UHFFFAOYSA-N	354.447	2.374	10	10	FECE	
CC1=C[C@H](C)CN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1	797435012	JHACASYFLIBBHT-MAUKXSAKSA-N	370.497	2.496	10	10	FECE	
Cc1nn(C)c(-n2cccn2)c1C(=O)NCc1ccc2cccnc2c1O	1142728453	UGHWFYZUHRMQNL-UHFFFAOYSA-N	362.393	2.098	10	10	FECE	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCN(C)C[C@@H]3CO)c2C)c1	1301605118	BVQPDGAMEQRZKC-LJQANCHMSA-N	355.482	2.459	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCCN=[N+]=[N-])C[C@@H]2COCC[C@H]21	2124537829	CDWPBPCFKOAUMA-MGPQQGTHSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)NCCn1cnc(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])c1	2124536762	SUBLUOGPSITLES-GFCCVEGCSA-N	363.422	2.323	10	10	FECE	
COc1ccc(N2CCO[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)c(N)c1	2129067881	NFKWGNXPGJAEBW-SJORKVTESA-N	363.458	2.492	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]2OCCN(Cc3cc(N)ccc3O)[C@H]2C1	2129074326	CWWFJQSIXMLJKY-DOTOQJQBSA-N	363.458	2.185	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC[C@@H](F)C1	1261437423	CAPYJBWMGKMHOE-MCIONIFRSA-N	353.390	2.217	10	10	FECE	
C[C@@H](C(=O)NCc1cccc(O)c1O)N1CCN(c2ccc(F)cc2)CC1	1347542162	KKUPOVMEEODPNT-AWEZNQCLSA-N	373.428	2.064	10	10	FECE	
COC(=O)[C@@]1(CNC(=O)Cc2cc(C)n(-c3ccccc3)c2C)CCOC1	1463478045	DFFBZUPYCAZPDA-OAQYLSRUSA-N	370.449	2.333	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@H](F)C1	2136254293	VVWWAMFREAUCDB-STQMWFEESA-N	368.405	2.104	10	10	FECE	
CCN(CC)c1ccc(/C=C2\C(=O)N(C)C(=S)N2CC(=O)OC)cc1	1130090	SHNRTMBRSNTDHI-RVDMUPIBSA-N	361.467	2.106	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CCNc3ccccc32)=C[C@H]1O	2136312592	RNPWURXOUGFDCR-GOEBONIOSA-N	359.426	2.029	10	10	FECE	
CN(C)c1ccc(CN(C(=O)CCC[C@]2(C)NC(=O)NC2=O)C2CC2)cc1	1540709092	BDJUEUYEGKVTBI-FQEVSTJZSA-N	372.469	2.012	10	10	FECE	
C[C@@H]1C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)N1C(=O)OC(C)(C)C	1964864718	VLUHZSONWFIYGI-YPMHNXCESA-N	350.415	2.154	10	10	FECE	
C[C@H]1C[C@H](CNCc2cccc(Br)c2O)CCS1(=O)=O	1967903170	XJNCQQCGIZGWHW-WDEREUQCSA-N	362.289	2.458	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2060637360	KFTMAXNZHSRFAA-RWMBFGLXSA-N	353.423	2.048	10	10	FECE	
CC(C)(C)OC(=O)NC1(C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)CC(O)C1	2073244631	XVXQLVHGEDCXCT-OPGSHWCFSA-N	353.423	2.096	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](NC(=O)CCOc1ccc(N)cc1)C1CC1	2106230069	OMUGMDAYQXJMAG-INIZCTEOSA-N	363.458	2.457	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)[C@H](O)[C@H](C)CNC(=O)OC(C)(C)C	2106849862	BLRNKRJGZWJEAC-FSPWUOQZSA-N	363.502	2.461	10	10	FECE	
CCN1CCc2cc([C@H](N)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)ccc21	2106849535	XFLWFEBILYSOSK-PXNSSMCTSA-N	361.486	2.441	10	10	FECE	
COC(=O)[C@H](CCNCc1ccc(F)c(F)c1O)NC(=O)OC(C)(C)C	2088542241	GINDZNBVHMAWNK-LBPRGKRZSA-N	374.384	2.216	10	10	FECE	
COC(=O)[C@H](CCN[C@H]1CCc2cccc(O)c21)NC(=O)OC(C)(C)C	2088542277	GRKUZSFBYZZFFI-KBPBESRZSA-N	364.442	2.426	10	10	FECE	
Nc1ccc(CC(=O)NC[C@H]2CC2(Br)Br)cc1	2213080786	YSVYXLYAVIEFLF-SECBINFHSA-N	362.065	2.434	10	10	FECE	
C[C@@H](O)CN(CCCOc1ccc(N)cc1)CCNC(=O)OC(C)(C)C	2269834616	JLXBYIAAYZCLMB-OAHLLOKOSA-N	367.490	2.245	10	10	FECE	
CN1CCc2cc(N3CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C3)ccc21	2226801334	BZMFGKICLHGLJC-DOTOQJQBSA-N	361.486	2.391	10	10	FECE	
COc1cc(N)c(N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)cc1OC	2270588602	ZDQQHMYSADVHOV-SNVBAGLBSA-N	361.364	2.323	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCC(N=[N+]=[N-])CC3)CO[C@H]1C2	2266158958	MWKBBEVDGGZFCI-IGCXYCKISA-N	365.434	2.360	10	10	FECE	
CC(C)(C)OC(=O)NCC(C)(C)OCCNCc1ccc(O)c(O)c1O	2278326532	ZRXCYWVSKOPEJN-UHFFFAOYSA-N	370.446	2.213	10	10	FECE	
COc1cc(C=C2C(=O)N(C)C(=O)N(c3ccccc3)C2=O)ccc1O	2297327045	KWTFBANJZONJNS-UHFFFAOYSA-N	352.346	2.409	10	10	FECE	
COC(=O)C=Cc1ccc(N(C)C[C@H]2CCN(C(C)=O)C2)c([N+](=O)[O-])c1	2303835661	OCGGTWWQASEMIO-OAHLLOKOSA-N	361.398	2.086	10	10	FECE	
COc1ccc(-n2nnnc2CNC(=O)c2ccccc2SC)cc1	21757818	LXNLFGIGNHHTRD-UHFFFAOYSA-N	355.423	2.323	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCCN(c2ccccc2)C1=O	180783039	UMWLBIXTXYEDAM-PXUDHTSWSA-N	352.390	2.423	10	10	FECE	
Cn1cc([C@H]2OCC[C@@H]2NC(=O)NCc2ccc(N3CC=CC3)cc2)cn1	190282028	ZDECFEBZDNLOQE-RBUKOAKNSA-N	367.453	2.126	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N1CCC[C@H]1Cn1ccnc1	254949944	GSRSEUVOEVMGJU-VORVDVFJSA-N	366.465	2.424	10	10	FECE	
CCCN1CCN(Cc2ccc(C)c(Br)c2O)S1(=O)=O	2380774964	HBEBGAIGPQLTJU-UHFFFAOYSA-N	363.277	2.236	10	10	FECE	
COCC[C@@H](COC)NC(=O)NC1CCN(c2ccc(OC)cc2)CC1	811955767	FUBJNQHNHKYZPK-INIZCTEOSA-N	365.474	2.015	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)c2c3n(c(=O)n2C)CCCC3)cc1	822596028	NGFQZZDMLBFALH-UHFFFAOYSA-N	356.470	2.299	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Nc3cn(C)c(=O)cc3C)C2)cc1	821747657	QNAMZAYWGGZYRY-AWEZNQCLSA-N	356.426	2.103	10	10	FECE	
COC(=O)[C@@H](NCc1ccc(N2CCC(OC)CC2)cc1)c1ccnn1C	830369589	NKEIAHZFQDAURJ-IBGZPJMESA-N	372.469	2.039	10	10	FECE	
CCc1onc(C)c1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	917832974	JPVQMLBHPDUBQO-HNNXBMFYSA-N	370.453	2.177	10	10	FECE	
Cn1cnnc1C1CCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])CC1	917054522	NTGMEWJZWWWWMO-HYXAFXHYSA-N	357.370	2.205	10	10	FECE	
O=C(O)/C=C\c1ccc(N2CCC[C@H](Cn3ccnn3)C2)c([N+](=O)[O-])c1	844214504	GKBKGTBYAOPBFP-SDQPKGBYSA-N	357.370	2.201	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)c3ccc(F)cc3)C2)cc1	849416920	ZCYRMYZBLOHQTJ-AWEZNQCLSA-N	350.415	2.392	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)cc1	847292323	TXSUCTVIAIPELT-QGZVFWFLSA-N	360.458	2.315	10	10	FECE	
COc1ccc(N2CC[C@@H](N3C(=O)N[C@H](CC(F)(F)F)C3=O)C2)cc1	849358556	YGZLWENXLXOZNG-DGCLKSJQSA-N	357.332	2.147	10	10	FECE	
O=C(NCC[C@H]1CC1(F)F)NCc1ccc(N2CCC(O)CC2)cc1	856882495	NAWAVNHXFULBNA-AWEZNQCLSA-N	353.413	2.492	10	10	FECE	
CCN1CC[C@H](N(CC)C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	854295880	DGTHEYZUCRFFBI-WMZOPIPTSA-N	360.502	2.400	10	10	FECE	
Cc1noc(CCNC(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)n1	858919051	AZRXPZPHNLEQFA-UHFFFAOYSA-N	366.421	2.499	10	10	FECE	
COC(=O)CCNC(=O)CCN[C@@H](C)c1ccc(N2CCCCC2)cc1	858541125	SUVIQCHRUSZZEP-INIZCTEOSA-N	361.486	2.397	10	10	FECE	
CNS(=O)(=O)CCCOC(=O)Cc1cc(C)n(-c2ccccc2)c1C	853934886	VLGDLGWIVQCYCE-UHFFFAOYSA-N	364.467	2.119	10	10	FECE	
COc1ccc(CNC(=O)N[C@H]2CCC[C@@H]2Cc2cnn(C)c2)c(O)c1	852596281	JYZATADAEKQNGP-PBHICJAKSA-N	358.442	2.345	10	10	FECE	
C[C@@H](NC[C@@]12COCCN1C(=O)OC2)c1cccc(C(F)(F)F)c1O	866521787	PBSYJEGKGUWIGR-BMIGLBTASA-N	360.332	2.283	10	10	FECE	
CC[S@@](C)(=O)=NS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	866559344	FUIHKKJRBYWRQK-JOCHJYFZSA-N	359.517	2.080	10	10	FECE	
Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N1Cc3cccc(O)c3C1)C2=O	871199344	WYMUBQMEKSNMJP-LBPRGKRZSA-N	350.374	2.228	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@@H]3[C@H]4CCCO[C@H]43)cc2F)CC1	779920312	GCNVDMDSDWYBEW-ATZDWAIDSA-N	361.461	2.009	10	10	FECE	
CC(C)(C)O[C@@H]1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)[C@@H]1n1cccn1	1158288923	QXNJMYULBGHPQK-QBIMZIAESA-N	359.426	2.150	10	10	FECE	
COc1cc(N2CCN(c3cnccn3)[C@@H](C)C2)c([N+](=O)[O-])cc1OC	1164382425	BKDUDUICVOPHER-LBPRGKRZSA-N	359.386	2.117	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1COC1	2124323182	KPCLUMZTZFJTSN-WBMJQRKESA-N	364.442	2.451	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCc2ccccc2O)OCC1(C)C	2124317736	RYVCZSDQIFHIQK-HNNXBMFYSA-N	364.442	2.423	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CCCOC1	2124510580	YFQJMRADZRNBGQ-SUMWQHHRSA-N	367.450	2.467	10	10	FECE	
CCC[C@H](C)[C@@H](CO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1251501184	NSILAUGZEAHGHI-KFKAGJAMSA-N	364.534	2.452	10	10	FECE	
CN1C[C@@H]2CC[C@H](NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)[C@H]2C1	1346790169	CNCTYKOGOOVVMJ-IHPCNDPISA-N	372.513	2.005	10	10	FECE	
Oc1ccsc1-c1nnc(N2CCc3ncncc3C2)n1CC1CC1	1263681206	GLOHJNWONVQGME-UHFFFAOYSA-N	354.439	2.475	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)C1=C[S@@](=O)CCC1	1291625773	BPZXOZOWDNQMAK-QHCPKHFHSA-N	350.509	2.282	10	10	FECE	
Cc1cc(C(=O)N2CC(N[C@H]3CCOC3)C2)c(C)n1-c1ccc(F)cc1	1456297552	SEZQQUDQSWKVEC-INIZCTEOSA-N	357.429	2.436	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H](CO)C(F)(F)F)cc1	1603076514	NVCKRWNIVPYPOT-MRXNPFEDSA-N	368.355	2.489	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@]3(C)C(=O)NC(=O)[C@@]3(C)C2)cc1	1471031938	UZWHRFASMANBCI-OYRHEFFESA-N	365.433	2.219	10	10	FECE	
COc1ccc(CNC(=O)[C@]2(C)Cc3ccc(C)cc3C(=O)O2)c(O)c1	1626079698	LOOAACQNOQIFPY-FQEVSTJZSA-N	355.390	2.497	10	10	FECE	
COc1ccc(CNC/C=C/CNC(=O)[C@@H]2C[C@H]2c2cncn2C)cc1C	1483064146	ZDIRYPTUUOGHAC-UBZMYNMCSA-N	368.481	2.303	10	10	FECE	
COC(=O)[C@H]1C[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)C1	1631611491	AVSQQWZXMOOSAD-SCTDSRPQSA-N	374.481	2.459	10	10	FECE	
CCN(CC)c1ccc(Cn2c(C)nnc2N2CC[C@@H](C(=O)OC)C2)cc1	1695616069	FFFLQRNGSOQKSX-QGZVFWFLSA-N	371.485	2.480	10	10	FECE	
CCn1cc(OC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870554640	QWPQMXGIUOWZFK-UHFFFAOYSA-N	357.454	2.208	10	10	FECE	
CC(C)(C)OC(=O)NC1CC(F)(CNC(=O)c2ccc(O)c(O)c2)C1	2054415442	APFIRNNIPMKZSL-UHFFFAOYSA-N	354.378	2.223	10	10	FECE	
C[C@@H](C[S@@](C)(=O)=NC(=O)c1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2054418623	VEBAMUKDAODXKE-UXMMLNGASA-N	372.443	2.249	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COC[C@]1(C)C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060633819	RUESYGCSIFROLH-MKBNYLNASA-N	353.423	2.218	10	10	FECE	
C[C@@H](NC(=O)CC[C@@H](O)CNC(=O)OC(C)(C)C)c1ccccc1O	2072479537	KFNGUCSTGBVWHH-CHWSQXEVSA-N	352.431	2.235	10	10	FECE	
CCN(c1ccc(CO)c(Br)c1)[C@H](C)CS(C)(=O)=O	2114019968	HGQWYHIFLLBQDB-SNVBAGLBSA-N	350.278	2.201	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](NC(=O)c2cccc(O)c2O)C1	2219127750	WRXBTVYKZWUHPD-WDEREUQCSA-N	354.378	2.175	10	10	FECE	
CN1CCc2cc([C@H](N)[C@@]3(O)C[C@@H]4[C@H]3CCN4C(=O)OC(C)(C)C)ccc21	2354610047	WACONZKNFSVWQO-LAVAIGHBSA-N	373.497	2.439	10	10	FECE	
CCCC(=O)N[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	102010416	YDNKWBVSOOFGPF-HNNXBMFYSA-N	364.465	2.482	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@@H](C)C(=O)N2CCOCC2)c1	109976009	ORCDFWCVXWSMDY-KRWDZBQOSA-N	369.465	2.380	10	10	FECE	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(OCC(N)=O)cc1	29014500	LHNINCUKNPODDP-UHFFFAOYSA-N	364.361	2.367	10	10	FECE	
CCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1ccc(N2CCC(O)CC2)cc1	89634512	QECMOGPSYRXGSM-CABCVRRESA-N	354.516	2.122	10	10	FECE	
CCC[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCN1CCOC	91858341	PMCUTZFAYUHSPM-NRFANRHFSA-N	361.530	2.456	10	10	FECE	
Cc1ccc(S(=O)(=O)N2CCN(c3ccc4c(c3)OCO4)CC2)cc1	140385588	XUVJSMZETREOJN-UHFFFAOYSA-N	360.435	2.235	10	10	FECE	
O=C(Cc1ccccc1F)N1CCN(c2ccc3c(c2)OCCO3)CC1	244375265	YBFUQTGPQMDPCB-UHFFFAOYSA-N	356.397	2.488	10	10	FECE	
CS(=O)(=O)CC[C@@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1	366532588	DIUJYWNIKHCLHP-SFHVURJKSA-N	366.527	2.312	10	10	FECE	
Cc1cc(CCNC(=O)N[C@H](C)C(=O)NCCF)c(C)n1-c1ccccc1	800699531	XBDYBCMPMQJJAM-OAHLLOKOSA-N	374.460	2.410	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)c1nnc2ccccc2n1	804734951	FNPKMUGDUFHFGU-UHFFFAOYSA-N	359.183	2.423	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cc3noc([C@@H]4CC45CC5)n3)CC2)cc1	817394921	DIGOHSVAUJYFFA-INIZCTEOSA-N	368.437	2.237	10	10	FECE	
CN(C)c1ccc(CN(C(=O)c2c3n(c(=O)n2C)CCCC3)C2CC2)cc1	822416598	ULMJFZKYRXURNA-UHFFFAOYSA-N	368.481	2.394	10	10	FECE	
COC(=O)C[C@@H]1CN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)CCO1	829720157	RVFTUWVYBPFUOG-LJQANCHMSA-N	370.449	2.427	10	10	FECE	
CCCNC(=O)CN1CCC(NC/C=C/c2ccc(N(C)C)cc2)CC1	835035546	JDXDCMJOBNQFEM-AATRIKPKSA-N	358.530	2.346	10	10	FECE	
CN1CCN(C(=O)Cc2cccc(NC(=O)c3cc(O)cs3)c2)CC1	746701245	JFTOFMGDMSTDEU-UHFFFAOYSA-N	359.451	2.023	10	10	FECE	
Cc1cc(CN2C(=O)N[C@H](CC3OCCO3)C2=O)c(C)n1-c1ccccc1	925027787	DRQLWFURXYEQOF-QGZVFWFLSA-N	369.421	2.278	10	10	FECE	
COc1ccc(CNS(=O)(=O)C[C@@H](OC)c2ccc(F)cc2)c(O)c1	859144620	UNSZMACJEJFENX-QGZVFWFLSA-N	369.414	2.347	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)c3cc(N)ccc3C)C2)cc1	851801108	ASMGCAIZANTRCU-OAHLLOKOSA-N	361.467	2.143	10	10	FECE	
Cc1oc(S(C)(=O)=O)cc1C(=O)NCCCSc1nccs1	859351083	ANXVUNLGMYGSCN-UHFFFAOYSA-N	360.482	2.360	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cn(C[C@H]2CCOC2)nn1	858662340	ATHDSTGQMUMITQ-QGZVFWFLSA-N	371.485	2.431	10	10	FECE	
CC(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	754553479	UUDAMDNIFWWXPA-SFHVURJKSA-N	362.385	2.411	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]3[C@H]3C[C@H]34)cc2)CC1	867680978	LBUIUJZYARQVMG-SDZDHKAXSA-N	367.493	2.263	10	10	FECE	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H](O)c2cnc[nH]2)cc1	864794354	KQSWRTJHXISEFQ-SFHVURJKSA-N	354.410	2.331	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@H](O)[C@@H]2CCCO2)cc1	862653082	FDEYEXVQSWOJJC-PMACEKPBSA-N	370.449	2.105	10	10	FECE	
CO[C@H]1C[C@H]2CN(C(=O)c3ccc(C)c(O)c3O)Cc3cccnc3N2C1	870538619	RBCBDOFPHVYDCI-GJZGRUSLSA-N	369.421	2.051	10	10	FECE	
C[S@@](=O)Cc1ccc(CNC(=O)NCc2c(O)cccc2F)cc1	1228071844	RLZSQSJWBIEQND-XMMPIXPASA-N	350.415	2.409	10	10	FECE	
CCCS(=O)(=O)Nc1ccccc1C(=O)NCc1ccc(O)cc1O	1162279176	UOMAGUAWELDTQF-UHFFFAOYSA-N	364.423	2.180	10	10	FECE	
COC(=O)C1([C@H](O)c2ccc(N(C)C)cc2)CN(C(=O)OC(C)(C)C)C1	2116281633	RZFZNNWJSVKETO-OAHLLOKOSA-N	364.442	2.196	10	10	FECE	
C[C@@H](C(=O)NCc1ccc(N2CCN(C)CC2)cc1)N1CCCCCC1	1176083682	RIRXNUDCKGBYHB-SFHVURJKSA-N	358.530	2.319	10	10	FECE	
CN1CCC(CC(=O)N2CC[C@@H](N=[N+]=[N-])C2)(NC(=O)OC(C)(C)C)CC1	2124509850	YQPGLPUBCWXQDV-CYBMUJFWSA-N	366.466	2.277	10	10	FECE	
C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@@H](c2ccsc2)O1	1329414795	XFWJBUZRXXIWDR-PXAZEXFGSA-N	372.446	2.285	10	10	FECE	
CC(C)(C)OC(=O)N1CC(c2nc(=NCc3cc(F)ccc3O)[nH][nH]2)C1	2127694848	YSLOBGLIRLOHEM-UHFFFAOYSA-N	363.393	2.018	10	10	FECE	
Cc1nc(NC(=O)c2cccc(O)c2O)ncc1I	2133341440	YGYSUPAFWKZDFA-UHFFFAOYSA-N	371.134	2.053	10	10	FECE	
CC(=O)CC1(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCC1	1464364787	XUMJWZYFAVFVEL-QGZVFWFLSA-N	371.481	2.154	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC[C@@H](c3cn(C)nn3)C2)c([N+](=O)[O-])c1	1613060003	BYOHNBHTXFRCCF-IQCBXXCUSA-N	371.397	2.294	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1CCCN1CCC(O)CC1	1709038480	JXWDQXZNTWTGET-UHFFFAOYSA-N	373.501	2.029	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)[C@H]2Cc3ccccc3O2)N(C)C)cc1	1627464821	RZENVZUVPAFNCQ-AZUAARDMSA-N	353.466	2.475	10	10	FECE	
COC1CCN(c2ccc(CN3CC[C@H]4COC(=O)N[C@@H]4C3)cc2)CC1	1559969372	BTFIFMWYCNDUKZ-QFBILLFUSA-N	359.470	2.232	10	10	FECE	
COc1ccc(CNC(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)c(O)c1	1638242702	SOEVAHPZLRFCEU-CYBMUJFWSA-N	365.430	2.209	10	10	FECE	
COc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccc(N)cc2)N(C)C)cc1	1860082702	RNKHVLHEIHOFJE-IFXJQAMLSA-N	357.454	2.464	10	10	FECE	
CN(C)c1ccc([C@H](NC(=O)c2ccc(O)cc2O)c2nccn2C)cc1	1865870468	LWKYMMZGLCNTGU-SFHVURJKSA-N	366.421	2.417	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CCCCC34OCCO4)CC2)cc1	1873831377	IMEJMZLCHJIYCN-SFHVURJKSA-N	360.454	2.277	10	10	FECE	
CN1CCc2cc([C@@H](CN)N3CC(N(C)C(=O)OC(C)(C)C)C3)ccc21	1881634855	JEUOMHBVHNSJJZ-GOSISDBHSA-N	360.502	2.230	10	10	FECE	
CS(=O)(=O)C[C@H]1CCCCN1c1ccc(CN)c(Br)c1	2151278559	ZKAZJQPQTXXIFW-CYBMUJFWSA-N	361.305	2.311	10	10	FECE	
CN(C[C@H](O)COc1ccc(N)cc1)[C@H]1CCN(Cc2ccccc2)C1	311495398	VOWMAGOOFHJBJG-PMACEKPBSA-N	355.482	2.215	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]1(C(=O)NCc2ccccc2O)CCCOC1	866754661	BVXSUEZLUJIUNB-IBGZPJMESA-N	364.442	2.330	10	10	FECE	
CN(C(=O)CN1C[C@H]2CC[C@H]1[C@@H]2NC(=O)OC(C)(C)C)c1ccc(N)cc1	2184065892	KEHSJAUQZQXBHV-RPVQJOFSSA-N	374.485	2.219	10	10	FECE	
C[C@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1cccc(O)c1O	2054413157	LFDSORKMFDTZGT-LLVKDONJSA-N	350.415	2.425	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NCc3c(O)cccc3F)[C@H]2C1	2057953741	OGEWZJNDLBBUQA-XPKDYRNWSA-N	352.406	2.255	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CCCO1	2060636055	STKNCMLCQNOEEM-WBMJQRKESA-N	353.423	2.219	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2060613686	UIZHXPYWSLPXJZ-JHJVBQTASA-N	353.423	2.048	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@](F)(CNCc2ccc(N)cc2)C1	2062128996	KSHRWCTYBYFUSP-SFHVURJKSA-N	353.438	2.334	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](O)(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)C1	2063392428	YBQRZBOAGSBYLM-LRDDRELGSA-N	353.423	2.050	10	10	FECE	
CN1C(=O)[C@H](O)c2ccc(N3C[C@H]4C[C@@H](C3)N(Cc3ccccc3)C4)cc21	2187747249	FFNIPSMONPCRKM-DJPFJPOOSA-N	363.461	2.407	10	10	FECE	
C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)CCc1ccc(N)cc1	2106707415	ORJRKFRRZOUJLI-SMDDNHRTSA-N	357.376	2.259	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](Nc3c(N)cccc3C(N)=O)CC[C@H]2C1	2108846383	WBTXPZQZTSUNDG-LNSITVRQSA-N	360.458	2.425	10	10	FECE	
CC(C)(C)OC(=O)NC12COC(C(=O)N[C@H]3CCC[C@H]3N=[N+]=[N-])(C1)C2	2254811954	TZJLHVHCNYMGLN-FYROIQCASA-N	351.407	2.160	10	10	FECE	
COC(=O)c1ccc(C=C2SC(=S)N([C@H](C)C(=O)O)C2=O)cc1	2295934264	RLCRWICJGCGKTD-MRVPVSSYSA-N	351.405	2.148	10	10	FECE	
COc1cccc(C=C2SC(=S)N(CCC(=O)O)C2=O)c1OC	2293034724	WBJNKIGKWHXRGD-UHFFFAOYSA-N	353.421	2.380	10	10	FECE	
CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NN1CCN(C)CC1	2297471430	HVSFCHCYJQMHRG-UHFFFAOYSA-N	371.485	2.224	10	10	FECE	
O=C(c1cc(O)c(O)c(O)c1)N1CCN(CC=Cc2ccccc2)CC1	2322582295	QFTBYJVXKPETMF-UHFFFAOYSA-N	354.406	2.275	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@]12CCO[C@H]1CN(C(=O)OC(C)(C)C)C2	2315991216	VLWVHJRXSDNQLK-BLLLJJGKSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)COc3ccc(N)cc3)C[C@@H]2C1	1892507931	JRRRUXGFRDSKBZ-BFUOFWGJSA-N	361.442	2.163	10	10	FECE	
O=[N+]([O-])c1cnc2ccc(NCc3ccc(N4CCOCC4)c(F)c3)nn12	301874039	DTKDJEMJZAVGEV-UHFFFAOYSA-N	372.360	2.225	10	10	FECE	
CCc1n[nH]c([C@H]2CN(Cc3cc(Br)ccc3O)CCO2)n1	129218302	XFZPOOXKQSXLAR-CYBMUJFWSA-N	367.247	2.409	10	10	FECE	
CN1C(=O)/C(=C/c2ccc(C(=O)NC(C)(C)C(=O)O)cc2)SC1=S	35655856	XIKSCTVCAMNQCQ-FLIBITNWSA-N	364.448	2.111	10	10	FECE	
COC[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1	804027567	FLHKGJAKUXPMEU-BEFAXECRSA-N	369.465	2.434	10	10	FECE	
CC(C)c1nnc(/C=C\C(=O)NCc2ccc(N3CCOCC3)c(F)c2)o1	588388879	NWSOYWMRJHRYEL-WAYWQWQTSA-N	374.416	2.498	10	10	FECE	
COC[C@H]1C(=O)N[C@@H](c2ccc3c(c2)CCN3Cc2ccccc2)N1C	840833825	NZILKLSGYKGSGN-VQTJNVASSA-N	351.450	2.325	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc4nc(O)n(C)c4c3)C2)cc1	855234401	ZDMOZZIRTRIUSX-AWEZNQCLSA-N	366.421	2.296	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCC3CCN(C4CC4)CC3)C2)cc1	852281782	FXIOYZHPAZUYBP-KRWDZBQOSA-N	372.513	2.448	10	10	FECE	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc3c(c2)N(C)CC3)c1	751317889	ILUBXJLEUHLIJX-LBPRGKRZSA-N	362.451	2.433	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@](C)(O)Cc3ccccc3)C2)cc1	855232263	RVJLZHBUHJBUHI-UTKZUKDTSA-N	354.450	2.384	10	10	FECE	
C[C@H]1CCCN(c2ccc(CNC(=O)C3CS(=O)(=O)C3)cc2Cl)C1	868065184	KZMSGHYKBJQVNN-LBPRGKRZSA-N	370.902	2.237	10	10	FECE	
C[C@@H]1C[C@H]1c1noc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1	865909477	RJMRUSJNLDLNBI-DGCLKSJQSA-N	360.389	2.099	10	10	FECE	
C[C@H](NC(=O)NCc1ccccc1CS(C)(=O)=O)c1ccccc1O	868339170	PAPNHMHFTXJWEG-ZDUSSCGKSA-N	362.451	2.497	10	10	FECE	
C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)C(=O)NCc1ccc(N(C)C)cc1	1116976006	KYTITFPAHQXHKT-SMDDNHRTSA-N	357.376	2.168	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cc([C@@H]4CCCN4C)[nH]n3)C2)cc1	898580155	CXXIHTSLSVUCFT-LIRRHRJNSA-N	369.469	2.194	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CN1CCn2c(O)nnc2C1	894467199	XRQXVLINDJRSDT-UHFFFAOYSA-N	359.611	2.121	10	10	FECE	
CCOC(=O)[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)Cc1ccccc1	1136429983	YFHHXHYRCTXGIZ-MRXNPFEDSA-N	357.406	2.179	10	10	FECE	
COC(=O)CCN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CCOCC1	1137016981	PZNGCOXFBSXRSR-UHFFFAOYSA-N	362.386	2.033	10	10	FECE	
C[C@@H](N[C@H](C)C1(S(C)(=O)=O)CC1)c1ccc(N2CCOCC2)c(F)c1	797070808	SRRPKDXSRIMKGH-ZIAGYGMSSA-N	370.490	2.279	10	10	FECE	
Cc1c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)nnn1C(C)C	794247564	SVEFLMAMTQGQMV-CQSZACIVSA-N	357.458	2.495	10	10	FECE	
C[C@H](N[C@@H](C)c1nc(N)nc(Cl)n1)c1ccc(N2CCOCC2)cc1	1307641313	FOFCRRZVDZBHRH-RYUDHWBXSA-N	362.865	2.356	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(F)c(F)c2O)[C@@H](CO)C1	2116275306	USROROCQVVSWQK-OCCSQVGLSA-N	372.412	2.378	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)Nc3ccc(CO)cc3)cc2)CC1	1345412394	VIQJBQDHXDDNQN-UHFFFAOYSA-N	354.454	2.252	10	10	FECE	
CCOC(=O)N1CSC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	1265457512	MIBGQFADBCHQAC-CQSZACIVSA-N	365.455	2.009	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3cnc(C(C)(C)C)nc3)cc2)CC1	1536523516	IGAUCOVOCKRIID-UHFFFAOYSA-N	367.497	2.456	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1cccc(CN2C(=O)CSC2=O)c1	1643879211	FWQYWEKPWBOKDQ-UHFFFAOYSA-N	372.402	2.223	10	10	FECE	
C[C@H](NCC(C)(C)N1CCOCC1)c1ccc(N2CCC(O)CC2)cc1	155294638	GXWKZBGXHWBWMX-KRWDZBQOSA-N	361.530	2.409	10	10	FECE	
O=C(O)Cc1ccc(O)c(N=c2[nH]c(-c3ccccc3)ncc2C(=O)O)c1	1859854643	JFOGDWRLQIDLIC-UHFFFAOYSA-N	365.345	2.340	10	10	FECE	
CN1C(=O)COc2cc(/N=N/N3CCN(C(=O)c4ccco4)CC3)ccc21	1860487873	RRSANKAWJQZYTI-FMQUCBEESA-N	369.381	2.092	10	10	FECE	
C[C@H](N)c1ccc(N(C)[C@@H]2CS(=O)(=O)C2(C)C)cc1Br	2153850490	ZYTRDIIPCNQOIL-TVQRCGJNSA-N	361.305	2.481	10	10	FECE	
COc1ccc(CNCC2(OC)CN(C(=O)OC(C)(C)C)C2)c(O)c1	2040145506	JNFSMAYMYDZZGH-UHFFFAOYSA-N	352.431	2.126	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@H]1CNS(=O)(=O)Cc1ccc(N)cc1	2044238186	DKCJESNAJXZROQ-OAHLLOKOSA-N	369.487	2.088	10	10	FECE	
COCC1(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)CN(C(=O)OC(C)(C)C)C1	2060619411	MRHSTWYOYUGSNE-LBPRGKRZSA-N	353.423	2.171	10	10	FECE	
CN1CCc2cc([C@@H](N)CN3CCN(C(=O)OC(C)(C)C)CC3)ccc21	2106853436	RBHLKYOTMJGBDN-KRWDZBQOSA-N	360.502	2.231	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](COc2ccc(N)cc2)[C@H]1OC	2218296261	SICHWWVSEIQIRY-BZUAXINKSA-N	352.431	2.297	10	10	FECE	
O=C(N=c1[nH]nc(C=Cc2ccco2)s1)NCCc1ccc(O)c(O)c1	2305086845	KWHNVAXKCSNKCC-UHFFFAOYSA-N	372.406	2.499	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NCc3ccc(O)cc3O)C[C@@H]21	2342939847	NTOGMLQYQZDLDC-UKPHBRMFSA-N	364.442	2.354	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N[C@H]3CCCn4ncnc43)CC2)cc1	177353330	WHNHKRFMYKUILB-KRWDZBQOSA-N	370.457	2.090	10	10	FECE	
C[C@@H](NCCN1CCOCC1(C)C)c1ccc(N2CCC(O)CC2)cc1	178597203	RINNGFZARHFEBO-QGZVFWFLSA-N	361.530	2.409	10	10	FECE	
COCCN1CCC[C@H]1CNC(=O)NCc1c(O)ccc2c1CCCC2	173176917	QNCACDWIUFISMU-INIZCTEOSA-N	361.486	2.181	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCC(N3CCO[C@@H](C)C3)CC2)c1O	177280098	UFXSZJNQHYQUBB-ZDUSSCGKSA-N	350.434	2.419	10	10	FECE	
Cc1nc2cc(C(=O)NCc3ccc(N(C)C)cc3)ccc2n(C)c1=O	64858922	RYPOLYUJWHZPFD-UHFFFAOYSA-N	350.422	2.238	10	10	FECE	
O=C(Nc1ccccc1CNC(=O)C(F)(F)F)c1cc(O)c(O)c(O)c1	216810519	PKQGDPJEDIUAPE-UHFFFAOYSA-N	370.283	2.234	10	10	FECE	
CS(=O)(=O)[C@@H]1CCC[C@H]1NCc1ccc(N2CCSCC2)cc1	182495027	FCKUUDATZXUXCR-IAGOWNOFSA-N	354.541	2.295	10	10	FECE	
C[C@@H](NCc1cccc(N2CCOCC2)n1)c1cc([N+](=O)[O-])ccc1O	274730154	BPQFOUBGLCIXQX-CYBMUJFWSA-N	358.398	2.383	10	10	FECE	
CNC(=O)[C@@H]1CCN(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)C1	817771095	AAYJFQAGDFLICZ-GOSISDBHSA-N	368.481	2.414	10	10	FECE	
Cn1nc(CC(=O)NCCCSc2nccs2)c2ccccc2c1=O	733972795	WIIHKQDMLXXDGP-UHFFFAOYSA-N	374.491	2.231	10	10	FECE	
Cc1c(-c2nnc(N(C)Cc3ccccc3O)n2CC(C)C)nnn1C	834976744	OUJQEITWMJMICW-UHFFFAOYSA-N	355.446	2.380	10	10	FECE	
CC(=O)N[C@@H](CC(=O)NC[C@H](N)c1ccc(N(C)C)cc1)c1ccccc1	832292928	NKJDLUMSQZLOCX-PMACEKPBSA-N	368.481	2.136	10	10	FECE	
COC(=O)C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H]1C	919918750	RBIWLOLXBHKOMR-NVXWUHKLSA-N	357.454	2.403	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1F	838029885	RYIKVJMCMZJYCM-BXUZGUMPSA-N	363.355	2.346	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C1CCOCC1)C1CC1	846744851	HSPXXTXPVDURJL-LJQANCHMSA-N	374.481	2.452	10	10	FECE	
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)C[C@@H](c2ccc(F)cc2)O1	841049895	XMDAVZAAJJKSIV-PXAZEXFGSA-N	357.385	2.335	10	10	FECE	
C[C@H](NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(Cl)cc1O	841749314	CILFXSNPUOHURY-DINDLPBHSA-N	351.834	2.417	10	10	FECE	
CCCN1CCC[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	749405462	FEDBYEOPUARPJJ-IBGZPJMESA-N	363.477	2.277	10	10	FECE	
Cn1nccc1[C@H]1COCCN1C(=O)NCc1ccc(N2CCCC2)cc1	844888580	VPFYMSWTDMJKMN-LJQANCHMSA-N	369.469	2.303	10	10	FECE	
COc1cccc([C@@]2(C)CCN(C(=O)C(=O)Nc3ccc(N)cc3)C2)c1	850850409	WWGCDNHHETYPLE-FQEVSTJZSA-N	353.422	2.406	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1	750663352	SJAOEFBGVPHYOD-QGPMSJSTSA-N	358.486	2.293	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H]4[C@@H](CCCN4C)C3)C2)cc1	854300496	URXSOAKKIWATIL-ABSDTBQOSA-N	372.513	2.400	10	10	FECE	
Cc1cc(C(=O)COC(=O)[C@@H]2COC(=O)N2)c(C)n1-c1ccc(F)cc1	859909903	VJMJEUSUQDEOOE-HNNXBMFYSA-N	360.341	2.068	10	10	FECE	
C[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)c1ccc(N(C)C)cc1	852260724	ARBXPPFXZOMILV-YDGUKXNOSA-N	365.421	2.424	10	10	FECE	
COc1ccc(N2CCN(CCN[C@@H]3CCN4CCC[C@@H]4C3)CC2)cc1	754792457	BTJXIQGSNMKHJR-UYAOXDASSA-N	358.530	2.034	10	10	FECE	
c1cc(N2CCOCC2)ccc1CN[C@@H]1CCCC[C@H]1N1CCOCC1	763496771	VNGRCPYDUUKOKI-NHCUHLMSSA-N	359.514	2.256	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1c[nH]nc1[C@@H]1CCCO1	869295181	NCCMKIVEZBJJNG-SFHVURJKSA-N	370.453	2.152	10	10	FECE	
COC(=O)CC[C@@H]1CC[C@H](C(=O)NCCCSc2nccs2)O1	874466016	AANYZZBKJIVXIQ-NWDGAFQWSA-N	358.485	2.242	10	10	FECE	
CNC(=O)Cc1nc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cs1	775256261	WEHIGUMTZKVKTF-AWEZNQCLSA-N	374.510	2.119	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)c1ccnc2[nH]cnc12	777797480	UIVOHOPNYSQLBI-UHFFFAOYSA-N	353.451	2.441	10	10	FECE	
C[C@H]1CN(c2ccnc(C(=O)NCc3c(O)cccc3O)c2)C[C@H](C)O1	1304053896	VIOUISPNLVQRKU-STQMWFEESA-N	357.410	2.036	10	10	FECE	
C[C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2ccc(O)c(O)c2)C1	2118184908	PYRNPBXCRQUBPA-KOLCDFICSA-N	360.332	2.017	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)N2CC(C3CCOCC3)C2)cc1	1327622857	XHWGXHOPIISHAT-UHFFFAOYSA-N	373.497	2.034	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCCN(CC(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2124505595	NEQJNAPSJFTOHC-KBPBESRZSA-N	366.466	2.277	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ncccc1S(C)(=O)=O	1349117548	KSHZKVMIMHCPFK-UHFFFAOYSA-N	373.478	2.358	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)O	1517148545	QACMGPWXIWNGOH-OAHLLOKOSA-N	360.458	2.285	10	10	FECE	
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1ccc(O)c(O)c1	1624377430	PKJKBANFDOEUBA-ZDUSSCGKSA-N	352.394	2.441	10	10	FECE	
O=C(NC[C@H](n1cncn1)C(F)(F)F)c1cc2cc(O)c(O)cc2s1	1642670221	VWKRMKWEHOXIKK-LBPRGKRZSA-N	372.328	2.437	10	10	FECE	
Cc1nnc(N2CCOCC3(CC3)C2)n1Cc1ccc(N(C)C)c(F)c1	1742851036	YWLYKEGCTRVRHJ-UHFFFAOYSA-N	359.449	2.457	10	10	FECE	
CS(=O)(=O)c1cc(C(=O)NCc2c(O)cccc2O)ccc1Cl	1652623349	VAUGTXCQVRLKJD-UHFFFAOYSA-N	355.799	2.085	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1nnnc1-c1ccccc1	1597781332	PWQDUDJDAWHBQI-UHFFFAOYSA-N	364.453	2.455	10	10	FECE	
COc1cccc(CNC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)c1O	1595800335	UXALCXFMOQZOLH-UHFFFAOYSA-N	371.368	2.339	10	10	FECE	
COc1ccc(N(Cc2cccs2)C[C@@H](O)CN2CCOCC2)cc1	157305168	XKPNQPYLDWDOSS-KRWDZBQOSA-N	362.495	2.456	10	10	FECE	
C[C@@H](Oc1ccc(N)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	1860078573	OQZITBFOJOGXCL-KZULUSFZSA-N	367.405	2.330	10	10	FECE	
C[C@@H](O)c1cccc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n1	1119937715	XRPJERPTIJIIKU-ZBFHGGJFSA-N	354.454	2.449	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@](F)(CNCc2ccccc2O)C1	1876232022	FRNQBEHEWPCYDH-GOSISDBHSA-N	354.422	2.457	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H]3[C@@H](C2)C3(F)F)N(C)C)cc1	899097840	HUZOYLKERLBDNP-OAGGEKHMSA-N	352.429	2.262	10	10	FECE	
C[C@H](O)[C@H](C)OC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@@H]2N(C)C1	40375128	YLCYDARNSJPGCV-JQPWTAGUSA-N	356.466	2.451	10	10	FECE	in-vitro
C[C@H](N)c1ccc(N(C)[C@H]2CS(=O)(=O)C2(C)C)cc1Br	2153850491	ZYTRDIIPCNQOIL-ZANVPECISA-N	361.305	2.481	10	10	FECE	
C[C@@H](NCCC1(O)CN(C(=O)OC(C)(C)C)C1)c1ccc(O)cc1O	2027288827	IIJPJPBYAVHINB-GFCCVEGCSA-N	352.431	2.120	10	10	FECE	
COCC1(NC(=O)OC(C)(C)C)CC(NCc2cccc(O)c2O)C1	2035377225	WOTPOLRRWLSXJA-UHFFFAOYSA-N	352.431	2.260	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C	2180708151	AUZJZYABJVKNNI-HNNXBMFYSA-N	374.441	2.210	10	10	FECE	
O=C(c1ccc(O)c(O)c1)N1CC[C@@]2(CN(Cc3ccccc3)CCO2)C1	717431125	UAPFYAQUXSCLCJ-OAQYLSRUSA-N	368.433	2.215	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Nc1c(N)cccc1C(=O)O	2058685394	WGPPHJOILJQVOI-QWHCGFSZSA-N	351.403	2.013	10	10	FECE	
CC[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	2060402097	OHBGWQCWPCYDEG-ZDUSSCGKSA-N	352.431	2.307	10	10	FECE	
COc1cc(Cl)cc(CNCCn2cc(Br)nn2)c1O	2192991533	WYGADQURNCYTSJ-UHFFFAOYSA-N	361.627	2.198	10	10	FECE	
COc1ccc(CN=c2nc(CNC(=O)OC(C)(C)C)[nH]s2)c(O)c1	2067324963	ZHPVCLGMZFIPBP-UHFFFAOYSA-N	366.443	2.311	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNCc2ccc3c(c2)CCCO3)C1	2087536397	RUPAPDSOGREVLR-IAGOWNOFSA-N	362.470	2.329	10	10	FECE	
CC(C)(C)OC(=O)NC1CN(C[C@@H](N)c2ccc(N3CCCC3)cc2)C1	2112998366	MTEHTBDCGWCCCL-GOSISDBHSA-N	360.502	2.496	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](CNCc2ccccc2O)[C@H]1OC	2264762769	NSNXWTVEVHBBTR-DJIMGWMZSA-N	366.458	2.131	10	10	FECE	
COc1cccc(N2C(=O)NC(=O)/C(=C\NCc3ccccc3F)C2=O)c1	100369182	UOKYTSSZIYCJHC-RVDMUPIBSA-N	369.352	2.091	10	10	FECE	
COc1ccccc1-c1cc(C(=O)NCCc2ccc(O)c(O)c2)[nH]n1	122365239	UFNKCINRCOWQNE-UHFFFAOYSA-N	353.378	2.469	10	10	FECE	
COC(=O)CCN1C(=O)/C(=C/c2ccc(OC)cc2OC)SC1=S	40937841	MJTSJSIXJPNQSH-JYRVWZFOSA-N	367.448	2.468	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)C1CCC(N2CCOCC2)CC1	827715266	KKERMVDCRQQFKD-UHFFFAOYSA-N	369.465	2.448	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc(N4CCC4)nc3)CC2)cc1	822197185	ONWGRCWFWJTWKI-UHFFFAOYSA-N	352.438	2.263	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N(C1CC1)[C@@H]1CCNC1	841705936	AXNSWPGAWBKONT-GOSISDBHSA-N	360.527	2.276	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(OC)cnc1F	848231522	DRVISXZHJYNWSX-UHFFFAOYSA-N	362.357	2.140	10	10	FECE	
OCC1CCN(c2ccc(CN[C@H]3CCOC34CCOCC4)cc2)CC1	924759827	NDNNRYIJKZQNBS-FQEVSTJZSA-N	360.498	2.323	10	10	FECE	
CCc1onc(C)c1CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	929524409	RQMFESIIQYPROV-UHFFFAOYSA-N	370.453	2.078	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H]2CCC(=O)N(C)C2)cc1	859498481	JRRPMYSBYQTECJ-GOSISDBHSA-N	367.449	2.186	10	10	FECE	
CCO[C@H](CS(=O)(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C1CC1	859216981	IHLHPNITUTYISH-MAUKXSAKSA-N	368.499	2.008	10	10	FECE	
CN(C)c1ccc(CNC(=O)NCC2CCN(C3CCOCC3)CC2)cc1	852426644	NEPPEFHEGHMYSD-UHFFFAOYSA-N	374.529	2.443	10	10	FECE	
C[C@H](NC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1)c1ccc(N(C)C)cc1	852261935	WMOYIELWSPHDSN-YOEHRIQHSA-N	361.490	2.211	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cccc([S@](C)=O)c3)C2)cc1	855223677	CGERDAGJVKTMHS-MQNRADLISA-N	358.463	2.441	10	10	FECE	
CC1CCN(c2ccc(CNC[C@@H](O)CC3(O)CCOCC3)cc2)CC1	872199699	BEXMRPCPLJBDTM-FQEVSTJZSA-N	362.514	2.305	10	10	FECE	
C[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CO1	784146103	NKPALJZRQFVEGC-VQIMIIECSA-N	357.498	2.260	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCCc2cccc3[nH]ccc23)cc1	785427651	FQBSPDBFKUWFEP-UHFFFAOYSA-N	364.449	2.209	10	10	FECE	
COc1ccc(CNC(=O)c2ncc(Br)cc2O)c(O)c1	1155574678	OQLZMXBAAUBVOO-UHFFFAOYSA-N	353.172	2.194	10	10	FECE	
O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCc1c(O)cccc1O	1304050443	NBZUUMHZLGCPBN-UHFFFAOYSA-N	357.362	2.148	10	10	FECE	
CNC(=O)[C@H]1CCC[C@H]1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1	1312318839	ZINNIFYUNJIQCF-ZWKOTPCHSA-N	358.486	2.343	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)N3CCC(CN=[N+]=[N-])CC3)[C@H]21	2124511506	GUFUBPRRZLCNJQ-BFHYXJOUSA-N	365.434	2.170	10	10	FECE	
CO[C@H](C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CCCC1	1334279140	BNQQEGVUXFRXLH-IBGZPJMESA-N	373.497	2.210	10	10	FECE	
CCO[C@@H](C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)C(C)C	1331571551	ZHYBHXHHIXQOGZ-GOSISDBHSA-N	361.486	2.066	10	10	FECE	
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NCc1cccc(O)c1O	1350299535	CLYZDSIMGMXTJH-NSHDSACASA-N	354.428	2.024	10	10	FECE	
CN(C)c1ccc([C@H](O)[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1	1917209457	QVXJGWUVVBBGGX-IRXDYDNUSA-N	358.394	2.166	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)NCc1cccc(O)c1O	1455313440	AAOSHTTXLVWZCS-CYBMUJFWSA-N	350.415	2.407	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)cc1	1294227621	YLGKWPXESFOCFV-QGZVFWFLSA-N	353.422	2.360	10	10	FECE	
CCN[C@@H](c1ccccc1O)[C@@](C)(O)COCCNC(=O)OC(C)(C)C	1921946749	HYALEYCCXQWZNF-LPHOPBHVSA-N	368.474	2.335	10	10	FECE	
O=C(Nc1ccccc1)[C@H]1CSCN1C(=O)Cc1ccc(O)c(O)c1	1629558205	AHSSAABSJQCCLY-CQSZACIVSA-N	358.419	2.181	10	10	FECE	
COCCNC(=O)c1ccc(NC(=O)c2cccc(O)c2O)cc1Cl	1625039171	DPFTVCALSOXMOR-UHFFFAOYSA-N	364.785	2.380	10	10	FECE	
COc1cccc(CN(CCN(C)C)C(=O)Cc2ccc(O)c(O)c2)c1	1556198999	XCNJUBPJFOKTHZ-UHFFFAOYSA-N	358.438	2.239	10	10	FECE	
CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H](c1ccccc1)c1nc[nH]n1	1637574694	KJHRDEIWEVCMJK-IZTUGPKFSA-N	350.378	2.477	10	10	FECE	
CNc1ncnc2cc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)ccc12	1633817994	CEDVRGBVCCMCOK-LLVKDONJSA-N	352.394	2.444	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc2nn[nH]c2cc1F	1570514850	RIMHHYXQNUNSNK-UHFFFAOYSA-N	372.356	2.008	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1	1584184092	OJGUQWUPTDBLTQ-AWEZNQCLSA-N	364.442	2.498	10	10	FECE	
COCc1nnc2n1CCN(Cc1ccc(N3CCC(OC)CC3)cc1)C2	1654976514	WIYBCTIUROQLHI-UHFFFAOYSA-N	371.485	2.056	10	10	FECE	
COC(=O)[C@H](C)N1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S	6097290	XFOBNPDFGBALJN-LBTPYSACSA-N	352.393	2.358	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)C[C@@H]3Cc4ccccc4O3)cc2)CC1	1596532694	KARXEAXPXDWKNI-FQEVSTJZSA-N	365.477	2.448	10	10	FECE	
CS(=O)(=O)c1ccc(N)c(C(=O)NCc2c(O)ccc3ccccc23)c1	1597742448	KWTUGTYPDJMPDC-UHFFFAOYSA-N	370.430	2.461	10	10	FECE	
O=C(N[C@H]1COCC[C@H]1NCc1cccc(O)c1O)OCc1ccccc1	1943956167	WLUZXCRBMOQJMQ-SJORKVTESA-N	372.421	2.271	10	10	FECE	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)nc1NCCc1ccccc1	36559175	SBPGWPDYCRGVBE-ARFHVFGLSA-N	370.413	2.165	10	10	FECE	
C[C@@]1(c2cc(Br)cc(Br)c2O)COCC(=O)N1	1951668310	VRTPGUARBNIMIJ-NSHDSACASA-N	365.021	2.279	10	10	FECE	
CO[C@H]1C[C@H](C(=O)NCc2ccccc2O)N(C(=O)OC(C)(C)C)C1	1969155041	UDEVZSAQCJEDMY-UONOGXRCSA-N	350.415	2.033	10	10	FECE	
CC(C)(C)OC(=O)NC1(CC(=O)N2CC[C@H](N=[N+]=[N-])C2)CCOCC1	2060616386	ZXWDAXRBLWUFHB-LBPRGKRZSA-N	353.423	2.362	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2060613284	PNTIJCVIIDDPHJ-YNEHKIRRSA-N	353.423	2.218	10	10	FECE	
COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccccc1O	2072481766	KTGCQIFSEARUDK-FZMZJTMJSA-N	354.403	2.041	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@]2(NCc3ccc(O)c(O)c3O)C[C@@H]2C1	2077025797	OCXNNHKCTMVWKM-KZULUSFZSA-N	350.415	2.293	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@]2(C)CC[C@@]1(C(=O)C(=O)C[C@H]1C[C@H](N)C1)C2	2078924905	GFTGDRJQKULHHD-YJZQOORCSA-N	350.459	2.432	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN(C(=O)COc1ccc(N)cc1)C2	2106728569	YZWGEBQDVGKULH-ZFWWWQNUSA-N	361.442	2.115	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])C1	2225795330	MWHSQDSFZOREPB-DCGLDWPTSA-N	367.450	2.486	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@]12CO[C@H](C1)[C@H](NC(=O)OC(C)(C)C)C2	2312794474	LQOPOMNMPOTVIR-HSMVNMDESA-N	353.423	2.218	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@]12COC[C@H]1CN(C(=O)OC(C)(C)C)C2	2315991831	CZNPDTYIPNABSJ-MLGOLLRUSA-N	353.423	2.029	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2331230643	XEWHYBCPECKCPY-MJBXVCDLSA-N	367.450	2.296	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1C(=O)N1CCc2cc(O)c(O)cc2C1	2341192944	WYAUTLDXVRWNHM-ZIAGYGMSSA-N	362.426	2.286	10	10	FECE	
C[C@@H](OC(=O)CCn1c2c(c3ccccc31)CCCC2)[C@H]1NC(=O)NC1=O	1848815700	FYMAYUKRHFZSKZ-KZULUSFZSA-N	369.421	2.050	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3ccccc3F)CC2)cc1	56965676	HWJRYMBTCWWODN-UHFFFAOYSA-N	357.429	2.386	10	10	FECE	
Cc1nn(C)c(C)c1N/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	59858259	XLZSGXZUCNYORC-JYRVWZFOSA-N	373.800	2.269	10	10	FECE	
Cc1nc(-c2ccc(NC=C3C(=O)N(C)C(=O)N(C)C3=O)cc2)cs1	108207495	BDAHHLMKYMCAPP-UHFFFAOYSA-N	356.407	2.465	10	10	FECE	
Cc1cc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)nc(N(C)C)n1	190822305	YHRCMYNAKKBQLR-UHFFFAOYSA-N	366.469	2.227	10	10	FECE	
COc1ccc(N2CCN(CCN[C@@H]3CCC34CCOCC4)CC2)cc1	800473728	BFLSVAYMFZNLKU-HXUWFJFHSA-N	359.514	2.366	10	10	FECE	
C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1cc(Br)ccc1O	805199446	SZRISMLUZWWGPX-HZMBPMFUSA-N	368.275	2.437	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCc2ncc[nH]2)C1	578304933	JFQXZCDJSXVYRR-UHFFFAOYSA-N	365.481	2.490	10	10	FECE	
Cc1ccncc1S(=O)(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	830200671	RHWKJZVJLXFBQY-HNNXBMFYSA-N	361.467	2.266	10	10	FECE	
O=[N+]([O-])c1ccc(O)c(CN[C@]2(CO)CCCN(Cc3ccccc3)C2)c1	734845996	LRDSXOZGBHRUHM-HXUWFJFHSA-N	371.437	2.417	10	10	FECE	
CC1(C)CN(CC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1	847641262	UCZGGAPPGYHIMX-UHFFFAOYSA-N	370.541	2.177	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=S)NCCc3cccnc3)C2)cc1	849270588	JLTLOGXFGLGJPG-INIZCTEOSA-N	356.495	2.376	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@H]3CCN(C)[C@@H](C)C3)C2)cc1	854298762	BBMZINRSFJLSNO-BQFCYCMXSA-N	360.502	2.398	10	10	FECE	
Cc1cc(C(=O)N2CCC[C@@H](c3nc(O)n[nH]3)C2)c(C)n1-c1ccccn1	773651633	SZROKZQNJPOSOY-CQSZACIVSA-N	366.425	2.333	10	10	FECE	
COC(=O)[C@]1(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C[C@@H](O)C1	1123969740	TXCNEORXVYHDJW-GLRZTSSQSA-N	360.385	2.030	10	10	FECE	
C[C@H](NC(=O)N(C)CC(C)(C)S(C)(=O)=O)c1ccc(N(C)C)cc1	773621767	PHKVSWHTCXSTKJ-ZDUSSCGKSA-N	355.504	2.278	10	10	FECE	
CNC(=O)[C@H]1CCC[C@@H]1NCc1c(C(=O)OC)n(C)c2ccc(F)cc12	894362300	SDHAFKOQLHZYBB-WFASDCNBSA-N	361.417	2.108	10	10	FECE	
COc1cc(NC(=O)Cc2ccc(O)c(O)c2)ccc1OCCN(C)C	1142423201	XSCCSTDVMSPXDF-UHFFFAOYSA-N	360.410	2.228	10	10	FECE	
Cc1cccc(CN2CCO[C@@H](CNC(=O)c3cccc(O)c3O)C2)c1	1171793303	KNOCERAPFOWZMQ-INIZCTEOSA-N	356.422	2.037	10	10	FECE	
Cn1cc(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)nc1CNC(=O)OC(C)(C)C	2124539738	YWHXIKCZQSDWLJ-LLVKDONJSA-N	363.422	2.217	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1	2132401495	UQGIVQBWOUBWEI-ZDUSSCGKSA-N	366.414	2.179	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)CN(Cc2ccccc2)C1	2132407283	ODBHWECUWAVMJA-CZUORRHYSA-N	356.422	2.444	10	10	FECE	
COC1(c2nccn2C)CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1	1263888839	BKOXQPBETTWNPX-UHFFFAOYSA-N	365.437	2.220	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CCCC[C@@H]1N1CCOCC1	1352910825	QSVPOTRLTFXDEV-KIZNEFEJSA-N	360.454	2.118	10	10	FECE	
CCc1cccc(CNC2(C(=O)OC)CN(C(=O)OC(C)(C)C)C2)c1O	1913907483	CBERDLJNTVPWOB-UHFFFAOYSA-N	364.442	2.207	10	10	FECE	
CNC(=O)CCn1c(CC2CCCC2)nnc1N(C)Cc1ccccc1O	1299258477	DJSQOLQQQYWXRM-UHFFFAOYSA-N	371.485	2.489	10	10	FECE	
CC(C)(C)OC(=O)NCc1cc(C(=O)NCc2c(O)cccc2O)ccn1	1456310370	AKBWBUGGMMRHHD-UHFFFAOYSA-N	373.409	2.448	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc2nc(O)oc2c1	1469231403	SPBOWFQHMLSPTL-UHFFFAOYSA-N	370.361	2.445	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COC(C)(C)[C@@H]1NCCc1ccc(O)c(O)c1	2136996758	QFUZXIVOINTBOC-XJKSGUPXSA-N	366.458	2.301	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)N2CCOCC(F)(F)C2)N(C)C)cc1	1479535643	XYUQVBQXSAJUDG-INIZCTEOSA-N	370.444	2.032	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)c2ccoc2C2(O)CCOCC2)c1	1566374938	ZFCFLDDMTILRCM-LBPRGKRZSA-N	361.394	2.483	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCN(c3ccc(F)cn3)CC2)cc1	1637490998	SZZLLKRSWZDEAU-UHFFFAOYSA-N	356.361	2.346	10	10	FECE	
C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1O	1648887129	FEIUFEOHJASSPS-SNVBAGLBSA-N	364.379	2.195	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])N(C)C)cc1	1653422000	YXWJRJPDUXHDPB-QGZVFWFLSA-N	371.441	2.276	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CO1	1653133015	SJDHXYKPAKDNBG-GFCCVEGCSA-N	363.374	2.130	10	10	FECE	
CC(C)c1nnc(N(C)Cc2ccccc2O)n1CCCn1ccnn1	1691668948	SGPXTLQKTLRWMB-UHFFFAOYSA-N	355.446	2.425	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1nc(O)c(C)s1	1263844412	DJPJKFPLWJIEIB-UHFFFAOYSA-N	350.396	2.068	10	10	FECE	
COC[C@H](C)OC(=O)CNCc1cc(Cl)cc(Br)c1O	1857873130	ROLAQXYTVHKLDG-QMMMGPOBSA-N	366.639	2.476	10	10	FECE	
Cc1ccc(CNCCn2cc(I)cn2)c(O)c1	1963048689	XEMBWCMZZKRQII-UHFFFAOYSA-N	357.195	2.292	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N[C@@H](C)c1cc(O)ccc1O	2058678397	AZEBMDQUWSVBIV-SGIREYDYSA-N	352.431	2.383	10	10	FECE	
CC(C)(C)OC(=O)NCC1CCN(CC(=O)NCCCN=[N+]=[N-])CC1	2060634214	WUKKBODHZRLCRT-UHFFFAOYSA-N	354.455	2.040	10	10	FECE	
C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2060639189	FKJILXUTCJBDAC-XQQFMLRXSA-N	355.439	2.200	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2073245294	GQBJZMXVSXZLFQ-STQMWFEESA-N	355.439	2.201	10	10	FECE	
Cc1ccc(CNC[C@H]2C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C2)c(O)c1	2084071502	FSCDCPBJEAICFB-JLJPHGGASA-N	350.459	2.454	10	10	FECE	
COc1ccc(N(CCO)C[C@@H]2CCCN2C(=O)OC(C)(C)C)c(N)c1	2106817715	FQWRPCXMDMPMTA-AWEZNQCLSA-N	365.474	2.476	10	10	FECE	
CC(C)(C)OC(=O)N1CC=C[C@H](NC(=O)CCOc2ccc(N)cc2)C1	2108851370	NSKSSLHSORPFJD-HNNXBMFYSA-N	361.442	2.329	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2253544605	KPQFWUBZUVJSJX-OLZOCXBDSA-N	353.423	2.048	10	10	FECE	
CN[C@H](c1ccccc1O)[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1	2265106920	ANJCXGMGDMIHST-LUKYLMHMSA-N	364.442	2.056	10	10	FECE	
COc1cccc(CNC[C@H]2C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c1O	2330273984	MWOCMOFFBRQRJA-BPLDGKMQSA-N	366.458	2.155	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C)CN(C(=O)c2cccc(O)c2O)CC1(F)F	2336640474	BVMNLVWEFVWNCQ-MRXNPFEDSA-N	372.368	2.472	10	10	FECE	
C[C@@H]1N(C(=O)OC(C)(C)C)C[C@]1(NCc1ccc2c(c1)CCO2)C(=O)O	2351451985	WHBPBTUWFKPIIC-HXPMCKFVSA-N	362.426	2.174	10	10	FECE	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)/C(=C/N2CCOCC2)SC1=S	59397571	UOSXSVKINHYTMR-LCYFTJDESA-N	365.436	2.442	10	10	FECE	
COc1cc([C@](C)(NC(=O)OCc2ccccc2)C(=O)O)cc(O)c1O	1952081919	VCYUIALJKIEHRQ-SFHVURJKSA-N	361.350	2.333	10	10	FECE	
COCCc1cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)n(C)n1	128444002	ADJFHTGKPLSIMU-UHFFFAOYSA-N	355.442	2.307	10	10	FECE	
CC(=O)N[C@@H](CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccccc1	186385363	NZFQKKZMPCUPDA-GUYCJALGSA-N	356.422	2.413	10	10	FECE	
Cc1oc2ncn(CCC(=O)NCc3ccc(N(C)C)cc3)c(=O)c2c1C	35378545	BUALLCQAGKEZFW-UHFFFAOYSA-N	368.437	2.379	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(Cc2nccn2C)CC1	48241274	AQIGVBIKSDGPPB-UHFFFAOYSA-N	369.513	2.357	10	10	FECE	
CCCCCNC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1	242551544	CBKWJRAFXMMHCD-RTBURBONSA-N	373.497	2.286	10	10	FECE	
NC(=O)CC[C@@H]1CCCN(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)C1	255899484	IHJROAPMVUWORN-TWVNLXSWSA-N	371.481	2.041	10	10	FECE	
O=C(N[C@H](CC1(c2cc(O)nc(O)c2)CC1)C(=O)O)OCc1ccccc1	1952638024	JHWWMRDWGVYDIJ-CQSZACIVSA-N	372.377	2.294	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CNCCCNC(=O)OC(C)(C)C)c1O	278900878	RAWBSLFCLLEBPI-UHFFFAOYSA-N	355.391	2.313	10	10	FECE	
COc1cc(OC)cc(N2CC[C@H](CNC(=O)c3cccc(O)c3O)C2)c1	370033375	ZNUYWIHBXMHVKG-CYBMUJFWSA-N	372.421	2.371	10	10	FECE	
CN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2O)C1	809688224	FDIYWVKLEDLNSV-GFCCVEGCSA-N	350.843	2.041	10	10	FECE	
CC(C)OC[C@H](O)CNCc1ccc(N2CCN(CC3CC3)CC2)cc1	819200483	OTOMRFHHQLBKAC-OAQYLSRUSA-N	361.530	2.094	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H]3C3CC3)cc2)C1	728746611	DUULDKKIVFDPIO-HKUYNNGSSA-N	370.497	2.472	10	10	FECE	
O=C(Cc1ccc2c(c1)NCC2)NCc1ccc(N2CCOCC2)cc1	823716607	KSJCWNHZDUMSGK-UHFFFAOYSA-N	351.450	2.350	10	10	FECE	
COc1ccc(O)c(CNC(=O)[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c1	907060850	PRLBSAONBVBZQD-BXUZGUMPSA-N	350.415	2.178	10	10	FECE	
O=C(N[C@@H]1CCn2ccnc21)N(Cc1ccccc1O)C[C@H]1CCCO1	838635136	SEBRAEGAWVQOPQ-HZPDHXFCSA-N	356.426	2.424	10	10	FECE	
CNC(=O)[C@H](CNC(=O)c1cc(O)cs1)Cc1ccc(F)cc1C	844148319	ZIEQIULHXJNTQG-LBPRGKRZSA-N	350.415	2.236	10	10	FECE	
CN(C)CCOc1ccccc1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	844162722	NHRNJKLXBPSKLO-IBGZPJMESA-N	370.497	2.123	10	10	FECE	
Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)C(=O)NCCc1ccc(N)cc1	842188256	JNLOFQVNVODMCP-CYBMUJFWSA-N	371.485	2.065	10	10	FECE	
C[C@@H]1OCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H]1C(F)(F)F	852749764	FMKMDLHKRKTVGC-GUYCJALGSA-N	373.419	2.363	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])C2)cc1	855234323	XGQDUBVBYVKJAE-GFCCVEGCSA-N	373.413	2.459	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)c2cn([C@H]3CCCNCC3)nn2)cc1	852860410	PZGMBDQMSLTOPO-SFHVURJKSA-N	370.501	2.369	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)C2)cc1	852139166	LNFHMSBJQBGCTQ-VIBAHUMZSA-N	359.470	2.387	10	10	FECE	
COC(=O)CCNC(=O)CCN[C@@H](C)c1cccc(C(F)(F)F)c1O	858541975	QQVVFCFPBLJYLS-JTQLQIEISA-N	362.348	2.131	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@]1(OCCO)CCOC1	855404835	BUSOSBBMKQHJCA-GOSISDBHSA-N	364.467	2.053	10	10	FECE	
CN(C)c1ccc(CN2CCN(c3nccnn3)CC2)c(C(F)(F)F)c1	862441998	FLXJUTUWQCTMRB-UHFFFAOYSA-N	366.391	2.279	10	10	FECE	
COCc1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ncn1	772375347	VQXMAJDPSWVTFN-UHFFFAOYSA-N	371.441	2.124	10	10	FECE	
O=C1CN(Cc2ccccc2O)C(=O)N1CCOC(F)(F)C(F)(F)F	871908872	RXIXVLJNLIZCHD-UHFFFAOYSA-N	368.258	2.328	10	10	FECE	
Cc1cccc(CN2CC(n3cc(CNC(=O)OC(C)(C)C)nn3)C2)c1O	895703208	AJUCRFNGSMQUQA-UHFFFAOYSA-N	373.457	2.374	10	10	FECE	
C[C@@H](NC(=O)Cn1ccc(Br)cc1=O)c1ccccc1O	1151892081	ICCSARTVLYEZRG-SNVBAGLBSA-N	351.200	2.194	10	10	FECE	
COC[C@@]1(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CCN(C(=O)OC(C)(C)C)C1	2124503039	GRBJDXXPTGJYFS-CXAGYDPISA-N	367.450	2.419	10	10	FECE	
CC1(C)[C@H](C(F)(F)F)CCN1C(=O)C(=O)N1Cc2cccc(O)c2C1	1329496040	XKHUYODNSREEFO-CYBMUJFWSA-N	356.344	2.424	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1cc(O)c(O)c(O)c1	2132408658	YKIJTRFVWDZQBR-NEPJUHHUSA-N	364.398	2.027	10	10	FECE	
COc1ccc(CNC[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2cncn2C)cc1C	1268003116	JTYPJEWGPFZUBK-BMGDILEWSA-N	370.497	2.383	10	10	FECE	
CC[C@H]1NC(=O)N(c2cccc(NC(=O)Cc3ccc(O)c(O)c3)c2)C1=O	1448864329	NVXGKHHANWCLJS-CQSZACIVSA-N	369.377	2.114	10	10	FECE	
Cc1ccc(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)c(O)c1O	1451297436	RDBQRAYRXIXIFS-UHFFFAOYSA-N	356.378	2.157	10	10	FECE	
COc1ccc(CNC(=O)c2ccccc2S(=O)(=O)C(F)F)c(O)c1	1467471835	URQKBKQVVGYSAK-UHFFFAOYSA-N	371.361	2.327	10	10	FECE	
CCN[C@@H](c1ccccc1O)[C@@H](O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	2136023630	JAZAADZNEZXSCM-IKGGRYGDSA-N	366.458	2.040	10	10	FECE	
CN(Cc1ccc(N)cc1)C(=O)[C@@](C)(NC(=O)OC(C)(C)C)C(C)(C)O	2136249500	GVYAEVMMGPCYOK-LJQANCHMSA-N	365.474	2.282	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H]2C[C@H](C)CN2C1	1627013640	ICFMXGSYWRRCMC-JQHSSLGASA-N	374.481	2.404	10	10	FECE	
O=C(NCCNC(=O)OCc1ccccc1)NCc1c(O)cccc1F	1639076933	ITYKTGVTBGIHNC-UHFFFAOYSA-N	361.373	2.257	10	10	FECE	
COc1cc(N(C)CC(=O)NCc2cccs2)c([N+](=O)[O-])cc1OC	1655303905	XDQIFIRWRFRSAP-UHFFFAOYSA-N	365.411	2.426	10	10	FECE	
CCOC(=O)CN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S	6076278	PVJKPIPVLGXEPO-YRNVUSSQSA-N	352.393	2.359	10	10	FECE	
CCOc1ccc(S(=O)(=O)c2nnn(-c3ccc(N)cc3)c2C)cc1	11730556	ZIFOEANMXZGCLM-UHFFFAOYSA-N	358.423	2.389	10	10	FECE	
CCN1CCN([C@H](C)CN[C@H](C)c2ccc(N3CCC(O)CC3)cc2)CC1	155566513	LUWULBWVYQQGDK-RTBURBONSA-N	374.573	2.324	10	10	FECE	
C[C@H](O)[C@@H](C(=O)O)N1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S	1858596013	MBLOVSPLEFDDTJ-YGWMAUTQSA-N	362.432	2.203	10	10	FECE	
CN[C@@H](C)c1ccc(N(C)[C@@H]2CCS(=O)(=O)C2)cc1Br	234442564	VYOZRRLXHYFPHZ-CMPLNLGQSA-N	361.305	2.353	10	10	FECE	
COc1cc(Cl)c(C)cc1NC(=O)c1nnn(-c2ccc(N)cc2)n1	1857878929	OTLCJBLWJPNUMM-UHFFFAOYSA-N	358.789	2.467	10	10	FECE	
Nc1ccc(CC(=O)N2CC[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cc1	2185512753	NMZTVVXLZHASPR-RTWAWAEBSA-N	365.477	2.313	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@]1(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)CCOC1	2060633424	NLXCFNFGXRZIPK-MLGOLLRUSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(CO)(CNCc2ccccc2O)CC1	2067986899	OUXKDIOYEORMJL-UHFFFAOYSA-N	350.459	2.491	10	10	FECE	
COCC1(NC(=O)Nc2ccc(N)cc2)CN(C(=O)OC(C)(C)C)C1	2070571488	REISBZIOJPJEDS-UHFFFAOYSA-N	350.419	2.026	10	10	FECE	
CN1CCc2cc(CN[C@@H]3COCC[C@@H]3NC(=O)OC(C)(C)C)ccc21	2092390146	HWXSEVYIDWWOBU-DLBZAZTESA-N	361.486	2.451	10	10	FECE	
Cc1cc(O)cc(C)c1NS(=O)(=O)c1c(Br)cnn1C	2239723036	XSVRXPKPRRZGEY-UHFFFAOYSA-N	360.233	2.306	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2264512025	JNUMOIGQQQOYNH-KBPBESRZSA-N	367.450	2.296	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@@]2(C(=O)N2CCC(N=[N+]=[N-])CC2)C1	2278888305	SUXRYWQLSOVRJY-SUMWQHHRSA-N	365.434	2.314	10	10	FECE	
Cc1cc(Br)c2c(c1)C(=C1SC(=S)N(N)C1=O)C(=O)N2	2295499495	WJPAQGCMAVKUFN-UHFFFAOYSA-N	370.253	2.155	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)NCc3ccccc3O)CO[C@H]1C2	2334204927	KDGDBAFFOLDUMI-FRIZHTMISA-N	362.426	2.081	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@]12CCOC[C@@H]1CN(C(=O)OC(C)(C)C)C2	2337777485	SWJHJZMPNGKOTM-SUMWQHHRSA-N	367.450	2.419	10	10	FECE	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cccc(O)c3)C2=O)cc1	100241403	GNUFDIOCCWSHFC-LFIBNONCSA-N	367.361	2.370	10	10	FECE	
CN1C(=O)Cc2cc(N3CCN(C(=O)NCc4ccccc4)CC3)ccc21	62576037	AGGSSDXICSYVRW-UHFFFAOYSA-N	364.449	2.237	10	10	FECE	
CC(=O)N1CC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)C1	176283967	XSFJMBNQHPXIIQ-ICSRJNTNSA-N	373.497	2.129	10	10	FECE	
NC(=O)[C@H]1CCCN(C(=O)CNc2ccccc2C(=O)c2ccccc2)C1	175597308	JPNIEUSEQJZBFU-INIZCTEOSA-N	365.433	2.053	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c1	120976399	TVYHLLRTALKLJX-QPJJXVBHSA-N	366.377	2.342	10	10	FECE	
COc1ccc(O)c([C@@H](C)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)c1	186327715	ZSMDWPUKXOYELA-CZUORRHYSA-N	358.442	2.289	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NCc1cc(F)ccc1O	380867094	ZGGOPDJYMZLZBU-XZDPQHSOSA-N	352.406	2.302	10	10	FECE	
CCN(C(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@@H](C)c1cccnc1	283602073	USZFMHSXLNYUAE-HNNXBMFYSA-N	354.454	2.374	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCO[C@]3(CCO[C@H]3C)C2)c([N+](=O)[O-])c1	280616985	YRVWYBICQWFCTO-DDTGXZNUSA-N	362.382	2.165	10	10	FECE	
O=C1CN(Cc2cccc(Br)c2O)CCN1CC(F)(F)F	809711043	HWQRJUCAFZGVKU-UHFFFAOYSA-N	367.165	2.361	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N(C)C[C@@H]1CCCO1	297880101	QLQLTLUFGFSMKS-IBGZPJMESA-N	373.497	2.273	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)C(C)(C)c3cnn(C)c3)C2)cc1	819585632	GQXMDWQTTVNWQY-HNNXBMFYSA-N	356.470	2.349	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N[C@H]2CCNC(=O)CC2)CCCC1	652443281	RFYRWZGYJOMUAJ-CQSZACIVSA-N	369.465	2.314	10	10	FECE	
Cc1cc(C(=O)CN2C[C@@H](C(N)=O)CC[C@@H]2C)c(C)n1-c1ccc(F)cn1	827680338	QATCETQLUJNMQP-WFASDCNBSA-N	372.444	2.397	10	10	FECE	
COc1ccc(O)c(CNC(=O)CCC(=O)N2CCOc3ccccc32)c1	734019117	XXXFZXGFHJGCKB-UHFFFAOYSA-N	370.405	2.223	10	10	FECE	
COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C/C=C\c1ccc(N(C)C)cc1	835045315	UTHDJOAUFDDOED-ROEZOGTPSA-N	360.454	2.192	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CCn2ccnc21	836241835	IGBPNYGGMSRENQ-INIZCTEOSA-N	357.483	2.381	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NCC[C@](C)(O)COC)cc1F	836292197	ZKXQLKXPUZMUGZ-SFHVURJKSA-N	355.454	2.259	10	10	FECE	
Cc1cc(O)c(CN2CCN([C@@H](C)C(=O)N3CCCC3)CC2)c(Cl)c1	840919169	WNLNRWIDOPEWIG-HNNXBMFYSA-N	365.905	2.483	10	10	FECE	
CCN(C(=O)/C=C\c1cc2cnn(C(C)C)c2[nH]c1=O)c1cnn(C)c1	848341971	CIXCXDUOGDCZIW-SREVYHEPSA-N	354.414	2.105	10	10	FECE	
Nc1ccc(CCNC(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1	841890138	YFJNXGYRZOAFPO-GOSISDBHSA-N	370.428	2.051	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC(OCCCO)CC2)c([N+](=O)[O-])c1	756981452	SFAZJZLTHFKCKI-XQRVVYSFSA-N	364.398	2.149	10	10	FECE	
CCCN(CCC)c1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2OC)cc1	850359261	BTXMZGZIEMMIKI-ROUUACIJSA-N	354.516	2.215	10	10	FECE	
CO[C@H]1CCn2cc(C(=O)NCCCSc3nccs3)nc2C1	865782994	JOFILZQRCFWXTH-NSHDSACASA-N	352.485	2.213	10	10	FECE	
COC(=O)[C@@]12CCOC[C@@H]1CN(Cc1c(O)cccc1Br)C2	862352089	YZAUZXIDGXBKPS-MEDUHNTESA-N	370.243	2.166	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3CC[C@@H]4CC[C@@H](O)[C@@H]43)C2)cc1	875680861	YNZLHCJDGLVABS-ILRDRHFLSA-N	359.470	2.076	10	10	FECE	
O=C(NCCCCN1CCOCC1)c1cc2cc(O)c(O)cc2s1	1119452894	OOXAFBSQNZWBOY-UHFFFAOYSA-N	350.440	2.155	10	10	FECE	
CC(C)(CNC(=O)NCc1ccc(N2CC=CC2)cc1)[C@]1(O)CCOC1	1118126176	IEBUKCAIQAVAID-FQEVSTJZSA-N	359.470	2.040	10	10	FECE	
C[C@@H]([C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1)N1CCOCC1	896186362	HTYZSHJITCYIBX-MNOVXSKESA-N	350.440	2.152	10	10	FECE	
CCN(CC1CC1)S(=O)(=O)NCc1cc(Br)ccc1O	796190598	ABDHJBQBHRWXEO-UHFFFAOYSA-N	363.277	2.221	10	10	FECE	
Cc1c(C(=O)NCc2c(O)cccc2O)nnn1Cc1ccc(F)cc1F	1304053308	HPCXSLCRTOJNDG-UHFFFAOYSA-N	374.347	2.254	10	10	FECE	
CCN[C@H](c1ccccc1O)[C@H](O)[C@@H]1COCCN1C(=O)OC(C)(C)C	2116193494	YSDDGZLNAFQRHJ-USXIJHARSA-N	366.458	2.040	10	10	FECE	
CC(C)(C)OC(=O)NCCn1cnc(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)c1	2124537536	ZDIXBOFPAWHANP-LBPRGKRZSA-N	363.422	2.180	10	10	FECE	
NS(=O)(=O)c1cccc(NCc2cccc(Cl)c2O)c1[N+](=O)[O-]	1187863605	XYSLSQBALHUAAL-UHFFFAOYSA-N	357.775	2.213	10	10	FECE	
COc1ccc(CN[C@H](C[C@H]2CCCOC2)C(=O)O)cc1Cn1cccn1	1262158506	NKZUOIKSBUJZED-SJLPKXTDSA-N	373.453	2.300	10	10	FECE	
Cc1c(Br)cnn1CC(=O)NCc1ccc(N(C)C)cc1	1351265706	KKANDMNOACASTK-UHFFFAOYSA-N	351.248	2.336	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cccc4nccn34)CC2)cc1F	1445846796	QHWSGWZWMNYLBT-UHFFFAOYSA-N	354.385	2.444	10	10	FECE	
Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(N=NC(N)=O)cc3)C2)n(C)n1	1297186417	CBGFLZSJVSGVOY-OAHLLOKOSA-N	369.429	2.290	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@](O)(CN(C)C)C3)ccc21	1528678896	BQIVSRVIRHGZQQ-NRFANRHFSA-N	373.497	2.043	10	10	FECE	
Cc1cccc(N2C[C@H](C(=O)NCc3cccc(O)c3O)CC2=O)c1C	1521852036	ROOHVVUJYYGPBN-OAHLLOKOSA-N	354.406	2.384	10	10	FECE	
CS(=O)(=O)Nc1cccc(C(=O)NCc2cccc(Cl)c2O)c1	1558757166	RVXPYMFOVNWCIZ-UHFFFAOYSA-N	354.815	2.347	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cnc2c[nH]nc2c1	1628687695	VTQGZUACUJAZFB-UHFFFAOYSA-N	365.437	2.097	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21	1569094227	ZIQUXZYRUYTCJB-MEBBXXQBSA-N	367.448	2.104	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCc1ccc(OCCN2CCCC2)cc1	1585904571	ACMXPIMAVJBTOZ-UHFFFAOYSA-N	370.449	2.431	10	10	FECE	
CC(=O)N[C@H](CC(=O)NCc1c(O)cccc1O)c1ccc(F)cc1F	1597574536	PCXNGBBTYKSOMQ-OAHLLOKOSA-N	364.348	2.260	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1C	1685295585	RLNRAYBQGSKSOZ-HIFRSBDPSA-N	354.472	2.137	10	10	FECE	
C[C@@H](NCC(C)(C)N1CCOCC1)c1ccc(N2CCC(O)CC2)cc1	155294749	GXWKZBGXHWBWMX-QGZVFWFLSA-N	361.530	2.409	10	10	FECE	
CCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)c2cc(S(N)(=O)=O)ccc21	207986592	HGLQAPUBRTVHCN-GZTJUZNOSA-N	371.462	2.307	10	10	FECE	
Nc1ccc(Oc2ccc(NC(=O)c3cnc4nc[nH]n4c3=O)cc2)cc1	1866070522	FPWDOTMCCIEOKM-UHFFFAOYSA-N	362.349	2.044	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H](CN=[N+]=[N-])C1)[C@@H](O)C(C)(C)C	1878002802	XRZYLZMXDGWQOU-FRRDWIJNSA-N	369.466	2.446	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(O)c(O)c2O)[C@H](F)C1	2029905542	FCEDQZKLZJRHHA-VXGBXAGGSA-N	356.394	2.241	10	10	FECE	
COc1cccc(O)c1[C@H](C)n1ncc(CN)c1I	2070409654	TZAGNGOLSGNZPV-QMMMGPOBSA-N	373.194	2.270	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2CN(CC(=O)Nc3ccc(N)cc3)C[C@H]2C1	2168784505	UKTZVHVCZLVARU-CABCVRRESA-N	374.485	2.396	10	10	FECE	
CCOC(=O)Cc1cc(O)n2nc(C3CCCC3)c(C(=O)OCC)c2n1	2080931054	ZJUPDMGTGASRKA-UHFFFAOYSA-N	361.398	2.375	10	10	FECE	
Oc1c(F)cc(Br)cc1CNCC1(F)COCCOC1	2187190736	UBSFNRUOQXKTNV-UHFFFAOYSA-N	352.175	2.139	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCC[C@H]2[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1	2053218366	FUFSSPXQNNYBEV-IZIWBXRVSA-N	350.459	2.191	10	10	FECE	
C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2cccc(O)c2O)C1	2054410943	SFNRUPUCCSHYPY-RYUDHWBXSA-N	350.415	2.473	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)CC1(CNC(=O)OC(C)(C)C)CCOCC1	2060636549	ZASASZDLIXERDI-UHFFFAOYSA-N	355.439	2.467	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(C)C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060633823	RUESYGCSIFROLH-XHBSWPGZSA-N	353.423	2.218	10	10	FECE	
CN(Cc1ccccc1O)c1ncnc(O)c1I	2072450553	LPBIPNAKCWCMGX-UHFFFAOYSA-N	357.151	2.129	10	10	FECE	
CC(C)(C)OC(=O)NCCOCCCNCc1cc2c(cc1O)OCO2	2111849579	DOUJURHLAPPGEY-UHFFFAOYSA-N	368.430	2.142	10	10	FECE	
CN(C)C(=O)CN(Cc1ccccc1)C(=O)[C@H]1CNc2ccccc2N1	2095917546	HBXHKFJCRSCORA-GOSISDBHSA-N	352.438	2.010	10	10	FECE	
C[C@H](CCOc1nnc(=N)[nH]n1)N(Cc1ccccc1)C(=O)OC(C)(C)C	2209173724	XKCGEADEXNKFMU-CYBMUJFWSA-N	374.445	2.274	10	10	FECE	
CC(C)(C)OC(=O)NC12COC(C(=O)N3CCC[C@H](N=[N+]=[N-])C3)(C1)C2	2254817831	NTTCXVKLTPJZBG-SOISORPOSA-N	351.407	2.114	10	10	FECE	
Nc1ccc(NC(=O)CCN2CCC[C@H](NC(=O)C(F)(F)F)CC2)cc1	2286105535	QFTVLRWNIDEDCH-ZDUSSCGKSA-N	372.391	2.130	10	10	FECE	
COc1ccc(N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O)c([N+](=O)[O-])c1	2269875604	CFVSOCOVWZHPBM-GFCCVEGCSA-N	369.418	2.315	10	10	FECE	
O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc2c(c1)OCO2	2294259128	KQEZEUFRLZPYAE-UHFFFAOYSA-N	370.361	2.386	10	10	FECE	
COc1ccc(NC=C2C(=O)N(c3ccc4nnc(C)n4n3)N=C2C)cc1	2296893897	SMQJYMFTCDPONP-UHFFFAOYSA-N	363.381	2.160	10	10	FECE	
COC(=O)[C@@H]1CCN(C(=O)C=Cc2ccc(N3CCOCC3)cc2)C[C@H]1C	2311498087	GKRLSJMSZLHZAW-VQIMIIECSA-N	372.465	2.194	10	10	FECE	
CCN(CC)[C@H](C)CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1	79982339	PNLJVYHTXAJNQG-OAHLLOKOSA-N	366.481	2.192	10	10	FECE	
N[C@H]1C(=O)Nc2cc(N3CCCCC[C@H]3CO)c(Br)cc21	133693410	FYICSFNLZMGWDJ-LKFCYVNXSA-N	354.248	2.142	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cn(Cc2ccccc2)nn1	801730104	FLWFGCFWULCSHO-ZDUSSCGKSA-N	367.409	2.490	10	10	FECE	
COc1ccc(N2CCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)CC2)cc1	822919257	HHORHGZJXBXOKE-HNNXBMFYSA-N	354.454	2.262	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1	822004403	BZSUEGNNFGAEDA-HOCLYGCPSA-N	367.515	2.250	10	10	FECE	
COc1cc(O)c(CN2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)cc1OC	905700049	DGJWBUMCHZIRJR-ACJLOTCBSA-N	350.415	2.120	10	10	FECE	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CC[C@H]1C1CC1	838740723	XLROGRIZILJFOR-INIZCTEOSA-N	351.397	2.495	10	10	FECE	
COC[C@H]1C(=O)N[C@H](c2ccc3c(c2)CCN3Cc2ccccc2)N1C	840833824	NZILKLSGYKGSGN-PMACEKPBSA-N	351.450	2.325	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCCc3c2ccc(=O)n3C)c1O	846124042	WMTAVYGTRVCVCD-CYBMUJFWSA-N	359.382	2.175	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](O)c3ccc(C)o3)C2)cc1	852454248	OPLHXRJOHKNASE-PBHICJAKSA-N	359.426	2.208	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2CC(C)(C)OC2(C)C)cc1	929236948	OBHARYYHBYYTCM-OAHLLOKOSA-N	361.486	2.079	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)NC[C@]2(OCCO)CCOC2)c1C	855405530	KPPOWYMTMUWGJR-OAQYLSRUSA-N	372.465	2.300	10	10	FECE	
C[C@H](NCC[C@@H]1CNCCS1(=O)=O)c1ccc(Cl)c(Cl)c1O	925790216	ACMLHNMRYNIDBX-VHSXEESVSA-N	367.298	2.126	10	10	FECE	
COC(=O)[C@@H]1OCC[C@@H]1NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	855448859	XRHPHOAQIBWXJC-ZWKOTPCHSA-N	356.422	2.463	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](CO)c3ccccc3)C2)cc1	854298945	CEYNJNFLRGQPEJ-ROUUACIJSA-N	369.465	2.349	10	10	FECE	
COC(=O)CN(CCOC1CCOCC1)Cc1cc(Cl)ccc1O	859188764	BWHMCHHWGBNBRH-UHFFFAOYSA-N	357.834	2.216	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCC3([C@H](O)C(C)C)CC3)C2)cc1	852452562	BLVFIKLVFUJTBV-CRAIPNDOSA-N	361.486	2.370	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)c2cnc3c(cnn3C)c2OC)c1	752597583	YCJJFUMSNFQQMK-JTQLQIEISA-N	356.382	2.182	10	10	FECE	
COc1ccnc(OC)c1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	864634748	PYSQWPGQXCZCJF-UHFFFAOYSA-N	371.437	2.208	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1C[C@H]2C(=O)OC[C@H]2C1	863753902	KZWFACCKAMOBEB-NVXWUHKLSA-N	352.390	2.152	10	10	FECE	
Cc1cn(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nc1C(F)(F)F	860697235	QSSKSUPMMNBYOC-SNVBAGLBSA-N	357.332	2.369	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CCCc4n[nH]cc43)CC2)c(OC)c1	870165372	WPRHARXCNRDESW-OAHLLOKOSA-N	370.453	2.196	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCC(C)(C)CC(F)F)cc1F	1119533914	FRBDMNDEAVEWQD-UHFFFAOYSA-N	359.392	2.306	10	10	FECE	
CCCCC[C@H](O)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O	1137816059	CUFLXMZXYMNXDS-HNNXBMFYSA-N	357.834	2.488	10	10	FECE	
CN1CCc2cc(CN[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)ccc21	2116261184	ITXPEVTUPYTVIS-AEFFLSMTSA-N	361.486	2.139	10	10	FECE	
C[C@H]1C[C@]1(CNC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	2124299510	OHCSIBRTAWXGGV-HXPMCKFVSA-N	364.442	2.307	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2124504499	ZNUGVBKNTMXFTI-YPMHNXCESA-N	363.422	2.147	10	10	FECE	
CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2124518162	UWNLPIDSKYVFCG-UONOGXRCSA-N	368.482	2.380	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](NCc3ccc4c(c3)CCO4)[C@H]2C1	2121660209	BUJMIWORGFOOHN-RYRKJORJSA-N	360.454	2.345	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C34CCC(OC)(CC3)CC4=O)C2)cc1	1347819555	AWQJRNPGUNGWAM-VUZGARFFSA-N	372.465	2.309	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1	2132401100	RLELUKFZJOBSSV-CMPLNLGQSA-N	366.414	2.227	10	10	FECE	
CC(C)S(=O)(=O)c1ccc(CC(=O)NCc2cc(O)ccc2O)cc1	1455357844	VZUPDXIODZHMKK-UHFFFAOYSA-N	363.435	2.139	10	10	FECE	
COC[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(F)cc1	1459841414	XXSFIWKBWOBFMB-LJQANCHMSA-N	359.445	2.485	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c(C)nnc1N(C)Cc1cnccn1	1707304201	NYFPPSNNIQDUDW-UHFFFAOYSA-N	351.458	2.436	10	10	FECE	
CCCN[C@H](c1ccccc1O)[C@@](O)(CNC(=O)OC(C)(C)C)COC	1921014204	UXAUVTKWUWZZEF-VQIMIIECSA-N	368.474	2.335	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC(C)(C)[C@H]1NCCc1ccc(O)c(O)c1	2136996756	QFUZXIVOINTBOC-CJNGLKHVSA-N	366.458	2.301	10	10	FECE	
COc1cc(C(=O)N[C@@H]2CC[C@H](CNC(=O)C(C)(C)C)C2)cc(OC)n1	1489905127	FFMVQOIKPBPXNI-GXTWGEPZSA-N	363.458	2.160	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1	1556568632	ZRXBBHYSEFPAQM-ZYHUDNBSSA-N	358.320	2.482	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ncc(Cl)cn3)CC2)c(OC)c1	1623763672	AQMGSVXQMRACNU-UHFFFAOYSA-N	362.817	2.110	10	10	FECE	
CCO[C@@H]1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)[C@H]1Oc1ccccc1	1625824029	UYRVCQXWDFSHTN-XFQXTVEOSA-N	357.406	2.382	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC2(CNC(=O)[C@@]34CCC[C@@H]3C4)CC2)cc1	1722091357	PQZGOTHUFISTJU-BFUOFWGJSA-N	369.425	2.418	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)cc1	1631110650	TTYDPXUQMCSICT-CYBMUJFWSA-N	358.379	2.107	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC(N(C)C(C)=O)CC2)c([N+](=O)[O-])c1	1772824497	XITHGOKMRIHCFC-ALCCZGGFSA-N	361.398	2.228	10	10	FECE	
O=C(NCc1ncc(Br)cn1)NCc1c(O)cccc1F	1684551888	RASKIJFLZGJUIW-UHFFFAOYSA-N	355.167	2.083	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)N[C@@H](CO)C3CCCCC3)cc2)CC1	1684873453	HNXSSXSTBCAOOC-FQEVSTJZSA-N	374.529	2.179	10	10	FECE	
COc1ccc(N2C[C@@H](NC(=O)NCc3c(O)cccc3F)CC2=O)cc1	1683743185	PGYYWNLBWRLEAW-LBPRGKRZSA-N	373.384	2.145	10	10	FECE	
CO[C@H]1C[C@@H](C(=O)NCc2cccc(C)c2O)N(C(=O)OC(C)(C)C)C1	2139760087	ODOZYYBEGOBLSH-GJZGRUSLSA-N	364.442	2.341	10	10	FECE	
CO[C@H]1C[C@H](C(=O)NCc2cccc(C)c2O)N(C(=O)OC(C)(C)C)C1	2139750963	ODOZYYBEGOBLSH-LSDHHAIUSA-N	364.442	2.341	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)c2nnc3n2CCCC3)c1	153522654	QJTYGYVTAOZHGG-NWDGAFQWSA-N	359.430	2.450	10	10	FECE	
COC(=O)CCCC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C	1865978021	WEMIMIKGHTYCAE-SFHVURJKSA-N	358.442	2.035	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](C(=O)NCc1ccccc1O)[C@@H]1CCOC1	1964890081	PTDGDNNIFGVUFL-CABCVRRESA-N	364.442	2.186	10	10	FECE	
NC[C@@]12CN(Cc3cc(Cl)cc(Br)c3O)C[C@@H]1CCO2	2175176021	KCDRPFUNFTWSSR-IINYFYTJSA-N	361.667	2.358	10	10	FECE	
CCS(=O)(=O)[C@@H]1CCN(c2ccc([C@@H](C)N)cc2Br)C1	2179894265	PTYJNTWPJYCQRV-ZYHUDNBSSA-N	361.305	2.482	10	10	FECE	
CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NCCOc2ccc(N)cc2)C1	2044679318	VKIQBKAJPUVMHJ-RUZDIDTESA-N	369.487	2.365	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C2(CCC2)C1	2049783004	PPNFCDONDKFRIS-IHRRRGAJSA-N	350.459	2.289	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCC2(CN=[N+]=[N-])CC2)CO1	2060608213	DYLNRBSRGDLUPI-NWDGAFQWSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COCC[C@@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060633946	UAOGTBMIGPUHGE-AGIUHOORSA-N	353.423	2.218	10	10	FECE	
C[C@@H]1COC[C@@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])N1C(=O)OC(C)(C)C	2060618551	AKSVWDDBPABUFE-UPJWGTAASA-N	353.423	2.312	10	10	FECE	
CCc1cccc(CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)c1O	2063348251	KAQXRUPRVDGGPS-HOTGVXAUSA-N	350.459	2.415	10	10	FECE	
CN1CCc2cc([C@H](CN)N3C[C@@H]4[C@H](C3)[C@@H]4NC(=O)OC(C)(C)C)ccc21	2195175204	AKNVEASFGKBPOL-NBMJBFSESA-N	372.513	2.134	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(CC(=O)Nc1ccc(N)cc1)C2	2106750660	MNHNYMBKBKYGFG-HOTGVXAUSA-N	360.458	2.291	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCCC[C@@]2(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)C1	2228748060	UNCNNLCTZNQNDU-IIYDPXPESA-N	365.434	2.314	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)N2CC[C@H](N=[N+]=[N-])C2)CO1	2253765374	HBIFQTFMSNDFHW-AVGNSLFASA-N	353.423	2.218	10	10	FECE	
C[C@@H](CCNC(=O)OC(C)(C)C)CCNC(=O)c1cc(O)c(O)c(O)c1	2268667597	ALLDXRPFNBDKFB-LLVKDONJSA-N	368.430	2.474	10	10	FECE	
Cc1ccccc1N1C(=O)C(=CNc2cccc(O)c2)C(=O)NC1=S	2297315999	IKDQNAYZAAWQOW-UHFFFAOYSA-N	353.403	2.444	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)NC[C@H](CO)c1ccccc1	2298153709	ZGIWWRQPARKWNB-HXUWFJFHSA-N	366.461	2.429	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N3CCCNC(=O)[C@H]3C)cc2)CC1	191378360	SKRKMIQQJTUSDX-MRXNPFEDSA-N	358.486	2.343	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@H]3CCCO[C@H]3C)cc2F)CC1	191430180	KZTQOGALJWUGNJ-RDJZCZTQSA-N	363.477	2.399	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(C(C)(C)O)c2)cc1F	806878462	LVNDXDFUEWPEHA-UHFFFAOYSA-N	373.428	2.374	10	10	FECE	
OCCO[C@@]1(CNCc2ccc(OCc3ccccc3)cc2O)CCOC1	826941892	LYWVQXRSBDWOHD-OAQYLSRUSA-N	373.449	2.229	10	10	FECE	
NC(=O)C1CCN(c2ccc(CN[C@@H]3CCCc4c[nH]nc43)cc2)CC1	903094133	MUJXTKCUQKADDG-GOSISDBHSA-N	353.470	2.279	10	10	FECE	
COc1ccc(N2CCN(C(=O)Nc3ccc4ncnn4c3)CC2)cc1	836737705	CBCQICHWJMUSFL-UHFFFAOYSA-N	352.398	2.092	10	10	FECE	
Cc1ccccc1[C@@H](O)CNCc1ccc(N2CCS(=O)(=O)CC2)cc1	849326042	BGPJBDLMYXZWFF-FQEVSTJZSA-N	374.506	2.053	10	10	FECE	
Cn1nc2c(c1C(=O)NCc1ccc3cccnc3c1O)CSCC2	911261137	AMVBGCGKFPMPHH-UHFFFAOYSA-N	354.435	2.393	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2CC(C)(C)OC2(C)C)cc1	929236945	OBHARYYHBYYTCM-HNNXBMFYSA-N	361.486	2.079	10	10	FECE	
C[C@H]1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C[C@H]1C(=O)O	849366166	OACZDFQVMBSXQL-SMDDNHRTSA-N	359.451	2.499	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)NC[C@H](C(=O)O)C2CCC2)cc1	854236832	YHTBAOHWNSUSCD-KRWDZBQOSA-N	363.458	2.274	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCc1nnc(O)n1C1CC1	923873333	ZZCSWBZXNLIESD-CYBMUJFWSA-N	372.473	2.123	10	10	FECE	
O=[N+]([O-])c1cc(CNC2CN(c3ccncn3)C2)ccc1N1CCCCC1	865749079	NDCPNDQIGBFKOL-UHFFFAOYSA-N	368.441	2.354	10	10	FECE	
CCOc1ccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)cc1C(=O)O	797819452	JNPJVKHFOJTTAO-UHFFFAOYSA-N	367.379	2.299	10	10	FECE	
COc1ccc(CNS(=O)(=O)c2ccc3ncsc3c2)c(O)c1	795357071	AERFLHXXLMBWNK-UHFFFAOYSA-N	350.421	2.489	10	10	FECE	
Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCC2(CN=[N+]=[N-])CC2)cn1	2124535333	MCBLQXYUEPDYRA-GFCCVEGCSA-N	363.422	2.193	10	10	FECE	
COc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cnn1C	1325180253	ZJXOCNKDAAKHHM-KRWDZBQOSA-N	372.469	2.316	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CC(=O)NCc1cc(O)ccc1O)C1CC1	1176754991	JMWMAFXLYLYCDY-CQSZACIVSA-N	350.415	2.407	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](C)Cc2cn(C)nn2)c1	1176840500	IJNGMGYARFMIRJ-CYBMUJFWSA-N	365.437	2.396	10	10	FECE	
Nc1ccc(NC(=O)CN2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1	2132352635	HHYUPVMZVZROMS-FXAWDEMLSA-N	350.466	2.414	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)[C@@](C)(O)c2ccccc2)N(C)C)cc1	1456927761	CMPUZOYKEIZHHO-CTNGQTDRSA-N	355.482	2.379	10	10	FECE	
CCOCCCN(C[C@H](C)C(=O)OC)C(=O)/C=C\c1ccc(O)c(O)c1	1465195713	RDUFCRWXLOCULL-LEJCZOIISA-N	365.426	2.175	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)CN1CSCCSC1	1629931316	GMSWVBJLOGHAEQ-UHFFFAOYSA-N	353.513	2.175	10	10	FECE	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ns[nH]c2=O)cc1	1624287363	XRIUIANTMMWWFN-UHFFFAOYSA-N	358.423	2.333	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCn1cccc1	1637247316	MVPDSAXZBGXGOG-UHFFFAOYSA-N	350.802	2.439	10	10	FECE	
Cc1nc(COc2ccccc2C(=O)NCc2ccc(O)cc2O)no1	1643100813	LMSLUNGVMOTDQX-UHFFFAOYSA-N	355.350	2.298	10	10	FECE	
C[C@@H]1CCCN1CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1676496904	DJZRITIEVMNSGB-VQIMIIECSA-N	361.534	2.139	10	10	FECE	
Cc1ccc(C)n1[C@H](CC(=O)OC[C@@H]1CNC(=O)CO1)c1ccc(F)cc1	1852169213	ZAHSGFOSYHSGDG-ZWKOTPCHSA-N	374.412	2.282	10	10	FECE	
Cc1nc(S(=O)(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cn1C	1890745950	WQJDQKMREIOYTE-RDJZCZTQSA-N	360.483	2.196	10	10	FECE	
CC(C)(C)OC(=O)N1CCC=C[C@H]1C(=O)NCCc1ccc(O)c(O)c1	1968739077	KJBSWIQNNBRWMD-AWEZNQCLSA-N	362.426	2.322	10	10	FECE	
CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NC(=O)Nc1ccc(N)cc1	1999443088	QXJNKFNVRCRCDL-XMMPIXPASA-N	356.448	2.423	10	10	FECE	
C[C@H](N)c1ccc(N(C)[C@@H]2CS(=O)(=O)C2(C)C)c(Br)c1	2153848605	LEJHABCOUNHBTA-TVQRCGJNSA-N	361.305	2.481	10	10	FECE	
CC(C)(C)OC(=O)N1CCS(=O)(=NCCOc2ccc(N)cc2)CC1	2044667600	ZYSIUIMHLXQOSI-UHFFFAOYSA-N	369.487	2.366	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](CO)(NCc2ccc(F)c(F)c2O)C1	2070019410	PYLQBVGBRPAKNR-KRWDZBQOSA-N	358.385	2.132	10	10	FECE	
C[C@H](CNC(=O)c1ccn(-c2ccc(N)cc2)n1)NC(=O)OC(C)(C)C	2106229687	AEKRTCSXCPLIQQ-GFCCVEGCSA-N	359.430	2.098	10	10	FECE	
CN(CC(=O)N(C)c1ccc(N)cc1)CC(C)(C)NC(=O)OC(C)(C)C	2106678551	PPJASYSHJLSKNU-UHFFFAOYSA-N	364.490	2.467	10	10	FECE	
C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)[C@H](C)[C@H]1NC(=O)C(F)(F)F	2106694504	IHLJOONZSOIXTA-HFAKWTLXSA-N	357.376	2.115	10	10	FECE	
COC(=O)[C@H](CCNCc1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C	2088543839	VOEVMAMFTKWJGJ-INIZCTEOSA-N	365.474	2.299	10	10	FECE	
COCCCN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)C(C(=O)OC)=C1C	2294034262	SMWMJPAKDYCBNS-UHFFFAOYSA-N	360.366	2.304	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H]1CCOCC[C@@H]1NC(=O)OC(C)(C)C	2315988035	DBMZLVKDXXWRNW-OLZOCXBDSA-N	355.439	2.465	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@]12CO[C@H](C1)[C@H](NC(=O)OC(C)(C)C)C2	2315992275	JVXWNEOMHDXBSD-HSMVNMDESA-N	353.423	2.218	10	10	FECE	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2CNC(=O)C2)cc1	110869247	DJVHSTAGEZASFI-INIZCTEOSA-N	367.449	2.431	10	10	FECE	
C[C@H](N)c1ccc(N2CCN(CCN(C)C)CC2)c(Br)c1	61698261	SMJJCEOAYNAQKI-ZDUSSCGKSA-N	355.324	2.152	10	10	FECE	
O=C(N[C@H]1CCc2[nH]ncc2C1)c1cccc2c1C(=O)c1ccccc1C2=O	175355634	RUNKWMGAZSFOOE-ZDUSSCGKSA-N	371.396	2.472	10	10	FECE	
CCOc1ccccc1[C@@H]1CC(=O)NC(NC(=O)c2cccc(OC)c2)=N1	20924836	CJMXKHBAIQVAKJ-INIZCTEOSA-N	367.405	2.441	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1cncc(O)c1	181844987	ZSVNIZCIQKNBKJ-QPJJXVBHSA-N	353.422	2.296	10	10	FECE	
CN(Cc1nccn1C(F)F)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	301611816	FCOPDEANBDIIPU-UHFFFAOYSA-N	353.285	2.154	10	10	FECE	
Cc1cc(CNC(=O)NCc2ccc(N(C)C)c(F)c2)nc(N(C)C)n1	190427254	KIQYSKZJLBHMQL-UHFFFAOYSA-N	360.437	2.056	10	10	FECE	
CO[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1	294884735	LEBACXQAXBJSTI-VQTJNVASSA-N	373.497	2.177	10	10	FECE	
CCN1CCN(c2ccc(CNc3ncncc3C(=O)OC)cc2F)CC1	804440948	VQVILYYJHSTVKH-UHFFFAOYSA-N	373.432	2.156	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCNC(=O)CC1	815797262	IWNSRNOQYCHHQJ-NSHDSACASA-N	369.259	2.420	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCc3nnc(C4CC4)n3C2)c1	815835451	UNNXCSNRPRUZRT-WCQYABFASA-N	356.426	2.310	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)c3cc(C)cc(O)n3)cc2F)CC1	815493623	LORYJVWGIWSHDB-UHFFFAOYSA-N	372.444	2.307	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3CC([C@H]4CCOC4)C3)C2)cc1	824685873	IFJZJWFOSYVXLG-CVEARBPZSA-N	359.470	2.199	10	10	FECE	
COc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)c(F)c1OC	901441406	AUGNUSBXWHIUNY-XFXZXTDPSA-N	352.387	2.145	10	10	FECE	
CCOC(=O)[C@@H](C)N(C(=O)/C=C\c1ccc(N2CCOCC2)cc1)C1CC1	588562525	PULVUZZXLXETLJ-BDJZEXMMSA-N	372.465	2.479	10	10	FECE	
Cc1cc(N(C)C)ccc1CNCc1ccc(S(N)(=O)=O)cc1F	842681632	PAZFKGQXVGJQBF-UHFFFAOYSA-N	351.447	2.137	10	10	FECE	
Cc1ccc(O)c(CNC(=O)[C@@H](O)[C@](O)(c2ccccc2)C(F)(F)F)c1	913000455	KACGVLYSJGFUEG-NVXWUHKLSA-N	369.339	2.128	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2cnc(OCC3CC3)cn2)cc1	844855678	FYVCBPPEVRJRTO-UHFFFAOYSA-N	370.453	2.482	10	10	FECE	
Cc1cc(O)c(CN2CCC[C@@H](CNC(=O)[C@H]3CCCN3)C2)c(Cl)c1	843058794	YJUVUDDPEKTRSV-WMLDXEAASA-N	365.905	2.434	10	10	FECE	
C[C@@H](C(=O)NCc1c(O)cccc1F)[C@H](O)CN(C)C(=O)OC(C)(C)C	928710870	KYSBSZBTEPQJNV-IAQYHMDHSA-N	370.421	2.011	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCN2CCSC[C@H]12	925143013	PGTRJIFZWFOFEI-QZTJIDSGSA-N	362.543	2.474	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3C[C@@H]4COC[C@@]4(C)C3)C2)cc1	852387634	SVNWTWKJOKRZHZ-JXXFODFXSA-N	359.470	2.199	10	10	FECE	
CNC(=O)[C@H]1CCN(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)C1	862016929	VLWLJUNALOHPBL-INIZCTEOSA-N	353.422	2.115	10	10	FECE	
C[C@H](NC(=O)C(=O)NC1CC2(CO[C@H](C)C2)C1)c1ccc(N(C)C)cc1	1119756435	LEMZFEXRISWYQL-DBTHTNCCSA-N	359.470	2.004	10	10	FECE	
O=C1OCC[C@@H]1CCCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	871909049	BZUCOXQRDMCGGO-NSHDSACASA-N	366.801	2.153	10	10	FECE	
COCC(C)(C)CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	894592609	LTEABOJTDOQKMT-UHFFFAOYSA-N	361.486	2.067	10	10	FECE	
COCCOC[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1	896720152	WDBWUEZTQNWANZ-LLVKDONJSA-N	351.424	2.438	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CC[C@H]1CCOC1	1137816713	OZVDJYKKAQGFFP-LBPRGKRZSA-N	355.818	2.364	10	10	FECE	
CCOc1ccc(N2CCN(S(=O)(=O)Cc3cc(C)on3)CC2)cc1	1321697293	BOHQFUSQIDJROY-UHFFFAOYSA-N	365.455	2.034	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)NCCOCC2CCC2)N(C)C)cc1	1252218305	MLIZGWISIMCXHZ-IBGZPJMESA-N	362.518	2.471	10	10	FECE	
COc1ccc(CN(C)C(=O)C(=O)N2Cc3cccc(O)c3C2)cc1C	1348596190	JYHMXJPRUOLXSA-UHFFFAOYSA-N	354.406	2.210	10	10	FECE	
COC1(c2nccn2C)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	1352738127	LFGURICIZLNKHI-GQCTYLIASA-N	357.410	2.009	10	10	FECE	
C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1CNC(=O)CC1CC1	1521739000	WVDTYHZQHRDWTB-IUODEOHRSA-N	371.441	2.473	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NCc2ccc(O)cc2O)CC1	1921715925	MEPWAJNGOZSPMR-GDBMZVCRSA-N	366.458	2.195	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCCCS(=O)(=O)c2ccccc2)cc1	1544468786	OBTPBGGGMWWGJX-UHFFFAOYSA-N	374.422	2.443	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1	1620604602	NPUADTTWBSESNE-CYBMUJFWSA-N	350.415	2.108	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1Cc2cc(F)ccc2NC1=O	1568737521	BTLVZPMYDMFEHW-CYBMUJFWSA-N	363.385	2.444	10	10	FECE	
CCc1nnc(N2CCC(CO)CC2)n1Cc1ccc(N(C)C)cc1C	1764820988	TVEWSBHCNNCLAN-UHFFFAOYSA-N	357.502	2.472	10	10	FECE	
COC(=O)c1ccc(NC(=O)CCCN2C(=O)[C@@H](C)SC2=S)cc1	11636204	MRIPTJKQDZJTOP-SNVBAGLBSA-N	366.464	2.441	10	10	FECE	
C[C@@H](NC[C@H](O)CN1CCCCC1)c1ccc(N2CCOCC2)c(F)c1	151342127	KKTDPVNCNLFEHP-AEFFLSMTSA-N	365.493	2.160	10	10	FECE	
CN[C@@H]1C(=O)Nc2cc(N(C)[C@H]3CCO[C@H]3C)c(Br)cc21	159704761	RKFQRHLHNADPJE-ULSRQLJBSA-N	354.248	2.275	10	10	FECE	
O=C(O)[C@H](Cc1cnc[nH]1)N1C(=O)/C(=C\c2ccsc2)SC1=S	1858587407	ZSADCXDKBWMTKN-RGTFSGHUSA-N	365.461	2.368	10	10	FECE	
CN(C)c1ccc([C@H](NC(=O)c2cc(N)ccc2O)c2nccn2C)cc1	1866085927	GQNIUOVFDSYUKY-SFHVURJKSA-N	365.437	2.293	10	10	FECE	
CN[C@@H](C)c1ccc(N2CCCS(=O)(=O)CC2)c(Br)c1	234449209	TWZWHUWMNWTEJT-NSHDSACASA-N	361.305	2.354	10	10	FECE	
C[C@@H](N)c1ccc(N(C)C[C@H]2CCS(=O)(=O)C2)cc1Br	2148776034	DYHOKTXZZXTYJF-GHMZBOCLSA-N	361.305	2.340	10	10	FECE	
CN(C(=O)CN1C[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1)c1ccc(N)cc1	2188890951	RFQGBVGSOSIHMG-RHSMWYFYSA-N	374.485	2.173	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])CO1	2060608751	LNHVCUFTXFKUPU-UPJWGTAASA-N	353.423	2.312	10	10	FECE	
[N-]=[N+]=NCCN[C@@]1(C(=O)O)CN(Cc2ccccc2)[C@@]2(CCCOC2)C1	2100063300	LRHQJBBRQFDZFX-ZWKOTPCHSA-N	359.430	2.165	10	10	FECE	
Cc1ccc(CN2CC[C@@H](NC(=O)C=Cc3ccc(O)c(O)c3)C2=O)cc1	2311686800	FZXBRKYUJIEAQB-QGZVFWFLSA-N	366.417	2.337	10	10	FECE	
Cc1ccc(O)c(CNC[C@H]2CN(C(=O)OC(C)(C)C)[C@H]3CCN2C3)c1	2342883083	CEBPVLQGRLFMND-IRXDYDNUSA-N	361.486	2.484	10	10	FECE	
C[C@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCS1	171427751	MUBCYXSPPFWOEZ-ZDUSSCGKSA-N	367.490	2.434	10	10	FECE	
Cc1cc(N2CCN(Cc3cc(C)c(C)cc3O)CC2)n2ncnc2n1	133916270	SYJONOMFWPNSIV-UHFFFAOYSA-N	352.442	2.077	10	10	FECE	
COc1cc(N2CCC[C@@H](c3ccnc(N)n3)C2)c([N+](=O)[O-])cc1OC	193533975	ZUZNGVPESXJZMV-LLVKDONJSA-N	359.386	2.368	10	10	FECE	
CCOC(=O)c1c(CN(C)c2ccc(OCC(=O)OC)cc2)noc1C	809974919	PEOOXBACTWPWJX-UHFFFAOYSA-N	362.382	2.348	10	10	FECE	
CS(=O)(=O)c1ccc(C(=O)NCc2cc(Br)ccc2O)o1	804733817	ZWNPYASWULVGMR-UHFFFAOYSA-N	374.212	2.081	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@H](Cn3ccnn3)C2)cc1	824674598	NORPHIVSYSLSCP-IBGZPJMESA-N	365.437	2.227	10	10	FECE	
CN1CCc2cc(NC(=O)NCCc3ccc(O)c(O)c3)ccc2C1=O	825043487	FWHGHIGMGQTRBW-UHFFFAOYSA-N	355.394	2.090	10	10	FECE	
CC(=O)NC[C@H]1CN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)CCO1	828087858	OZLYWQNHUJPCPZ-FQEVSTJZSA-N	369.465	2.000	10	10	FECE	
CO[C@H]([C@H](N)Cc1ccc(O)c(O)c1)C1(NC(=O)OC(C)(C)C)CC1	1953053839	QXGISFABLXMXQX-IUODEOHRSA-N	352.431	2.040	10	10	FECE	
C[C@H](NC(=O)c1cccn(CC(=O)OC(C)(C)C)c1=O)c1ccccc1O	913763865	UAUFWHDKBIBMST-ZDUSSCGKSA-N	372.421	2.387	10	10	FECE	
CC(C)(C)SCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	918339264	DGHMSQLVIVJESU-UHFFFAOYSA-N	370.540	2.069	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)[C@@H]1CCN2CCO[C@H]1C2	840485566	UTBPTMPMXNTKKI-AHRSYUTCSA-N	374.529	2.107	10	10	FECE	
CC(C)[C@H]1COCC[C@@H]1NCc1ccc(N2CCS(=O)(=O)CC2)cc1	925055134	LCPWFZXBLYWUCD-MOPGFXCFSA-N	366.527	2.072	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCC[C@@H]3CCCN(C)C3)C2)cc1	852377840	FEHAOCOLNVSWDY-IRXDYDNUSA-N	360.502	2.305	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCC(CCCO)CC3)C2)cc1	854298518	DOPBYCLMSLMLTB-KRWDZBQOSA-N	361.486	2.468	10	10	FECE	
O=C(c1cc(O)cs1)N1CCC(c2nccc(N3CCOCC3)n2)CC1	856527973	VFTCUFDMEVJRDH-UHFFFAOYSA-N	374.466	2.100	10	10	FECE	
CCC[C@H](C)N1C[C@@H](C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1=O	855229395	JPJMFRMJQOWWSG-ULQDDVLXSA-N	373.497	2.427	10	10	FECE	
Nc1ccccc1S(=O)(=O)NCc1ccc(N2CCSCC2)cc1	767718428	FXXKKDYANFFUNG-UHFFFAOYSA-N	363.508	2.301	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)/C=C/c1ccc(O)c(O)c1	862063309	FBSARKNWZVMWPO-DPNAULOGSA-N	360.410	2.235	10	10	FECE	
C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)C(=O)NCc1ccc(N(C)C)cc1	1116976004	KYTITFPAHQXHKT-FZMZJTMJSA-N	357.376	2.168	10	10	FECE	
C[C@@](O)(C[C@@H](O)CNCc1ccc(N2CCSCC2)cc1)C1CC1	872201359	XXGZQRFTSZKRTG-RTBURBONSA-N	350.528	2.241	10	10	FECE	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H]2CC[C@H](C(N)=O)C2)cc1	895600752	FZVIHCSYHZTYNH-YQVWRLOYSA-N	373.497	2.162	10	10	FECE	
CCOc1ccc(N(CC2CC2)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1	1308001165	KNKVUTFHRWURNQ-QGZVFWFLSA-N	360.414	2.468	10	10	FECE	
CON(C)C(=O)[C@H](C)NC(=O)NCCc1cc(C)n(-c2ccccc2)c1C	1233916878	COLJHBMJHXXPCR-HNNXBMFYSA-N	372.469	2.344	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@H]4C[C@H]43)cc2)CC1	1332004828	OXTPCHOGVCHJMD-QXAKKESOSA-N	355.482	2.441	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)c3ccn4nccc4n3)CC2)cc1	1339086594	KVZNSQYZZLWWRG-UHFFFAOYSA-N	351.410	2.090	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCO[C@@](C)(C(F)F)C1	1347206246	CDFAQSXTDPEWJY-GOSISDBHSA-N	370.396	2.013	10	10	FECE	
CCN1CCOC[C@@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	1515925395	LMGRCFCVQLCRSH-GOSISDBHSA-N	364.401	2.121	10	10	FECE	
COC(=O)C[C@@](C)(NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccncc1	1296811222	DPHUIYFXFOQCEM-GOSISDBHSA-N	369.381	2.452	10	10	FECE	
Cc1c(C(=O)NCc2cccc(Cl)c2O)nnn1Cc1ccncc1	1457038069	UNPFBQKIZYKUCL-UHFFFAOYSA-N	357.801	2.319	10	10	FECE	
CN(Cc1ccccc1O)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1	1294678635	LTZZZSHYMQQTRN-UHFFFAOYSA-N	358.354	2.081	10	10	FECE	
C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccccc1O	1632246755	NLINIRBHGMOREN-SNVBAGLBSA-N	364.379	2.195	10	10	FECE	
O=C([C@H]1CCc2nncn2CC1)N(Cc1ccccc1O)C[C@H]1CCCO1	878779901	CTFSNCMZQLVEDK-DOTOQJQBSA-N	370.453	2.144	10	10	FECE	
C[C@H](CNCc1ccc(O)cc1O)N1CCN(C(=O)OC(C)(C)C)CC1	1877257056	WYOOIOSXZVHVFJ-CQSZACIVSA-N	365.474	2.129	10	10	FECE	
COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NCc2ccccc2O)C1	1967834998	QFSHOHKHCUUTGH-KTXOBNNYSA-N	350.415	2.081	10	10	FECE	
CCOc1cccc(CN[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1O	2032626119	YXSCEDAIVPGXON-UONOGXRCSA-N	352.431	2.173	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNCc1c(O)cccc1F	2042604203	YZJVQUJKTDZDAL-ZDUSSCGKSA-N	353.438	2.172	10	10	FECE	
COc1ccc(N2CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(N)c1	2044725224	JOVHNWTYXMICMU-LRDDRELGSA-N	351.447	2.396	10	10	FECE	
C[C@H](CN(C)C(=O)OC(C)(C)C)N(C)S(=O)(=O)Cc1ccc(N)cc1	2049138332	PNVMHEUKOCZRSC-CYBMUJFWSA-N	371.503	2.286	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](NC(=O)c2ccc(O)c(O)c2)C1	2054418216	REVZVYBMWBJIHK-OYHSWFHJSA-N	354.378	2.223	10	10	FECE	
CO[C@H]1C[C@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2060613171	OMEKQWSPDDPEBG-FRRDWIJNSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCC(N=[N+]=[N-])CC2)CC1	2063391675	SVHQNHSYBQASFE-UHFFFAOYSA-N	353.423	2.050	10	10	FECE	
CN(C(=O)C1=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1F	2080946593	MOVJYXAGRLYIFV-DZGCQCFKSA-N	350.390	2.373	10	10	FECE	
C[C@]1(F)CN(S(=O)(=O)Cc2ccc(N)cc2)C[C@@]1(C)Br	2205663432	GPVKYODTHJSLCY-OLZOCXBDSA-N	365.268	2.296	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H](NC(=O)COc2ccc(N)cc2)C1	2226271414	SZGPDESSPOJTQN-JSGCOSHPSA-N	367.421	2.111	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(CCC(=O)Nc1ccc(N)cc1)C2	2288265800	BGCRIKBBUHQWCS-XOBRGWDASA-N	374.485	2.444	10	10	FECE	
COCCn1c(C)cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c1C	2297059862	NFBGVSSPSPZRLC-UHFFFAOYSA-N	371.393	2.006	10	10	FECE	
COc1ccc(Cn2ccc(=NC(=O)C=Cc3ccc(O)c(O)c3)[nH]2)cc1	2310355372	IAYOPVXXLGSNBW-UHFFFAOYSA-N	365.389	2.425	10	10	FECE	
CCc1ccc(C=C2SC(=S)N([C@@H](C(=O)O)[C@H](C)O)C2=O)cc1	2323823924	YDCVDAVVJARLBD-TVQRCGJNSA-N	351.449	2.284	10	10	FECE	
CN(C)c1ccc(CNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)cc1	27132932	SJRLHHQFAJZDDL-UHFFFAOYSA-N	366.870	2.496	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCCn2ccnc21	174919123	HKGCUOBNRUDMMI-SFHVURJKSA-N	354.454	2.256	10	10	FECE	
O=C1C[C@H](CNCc2cc3c(cc2O)OCO3)CN1Cc1ccccc1	179061525	YSFIDUTZZIGYBI-OAHLLOKOSA-N	354.406	2.259	10	10	FECE	
C[C@H](NC(=O)N(C)Cc1ccccc1O)c1nnnn1-c1ccccc1	115862485	QXJIOTSWXHRFKZ-ZDUSSCGKSA-N	352.398	2.271	10	10	FECE	
CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Cc1ccc(N)cc1	310798646	WRKWEVHIPFIPMW-IBGZPJMESA-N	359.495	2.305	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N[C@@H](C)c1cc(O)ccc1O	305881180	AZEBMDQUWSVBIV-PEYYIBSZSA-N	352.431	2.383	10	10	FECE	
Cc1cc(O)cc(=O)n1[C@H](C)C(=O)NCCCSc1nccs1	176235405	HWGJEBSWZBAZGI-LLVKDONJSA-N	353.469	2.178	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCN(c3cccs3)C(=O)C2)cc1	184220964	GJHKINXDSCQPGV-UHFFFAOYSA-N	358.467	2.373	10	10	FECE	
CCCn1cc(CN2CCCN(C(=O)c3ccc(C)c(O)c3O)CC2)cn1	182390492	HWNWMPQZWZKHFH-UHFFFAOYSA-N	372.469	2.361	10	10	FECE	
CCn1cc(C2CCN(CC(=O)NCc3ccc(N(C)C)cc3)CC2)cn1	195499830	PCEDHEZDFYPBAO-UHFFFAOYSA-N	369.513	2.465	10	10	FECE	
Cn1cc(CN2CCN(C3=NC(=O)/C(=C\c4ccccc4)S3)CC2)cn1	96577699	PTMWCDPCZYRCBT-GZTJUZNOSA-N	367.478	2.208	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)c1cn(C[C@H]2CCOC2)nn1	529306867	VCFWBNCZCSLOMW-OAHLLOKOSA-N	358.442	2.463	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)c1	366604672	ANJYIQBEXGQTQJ-HKUYNNGSSA-N	367.449	2.132	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1	362466514	PGUJZSIHUBPROL-RLLQIKCJSA-N	357.498	2.402	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(N)cc2)c2cncnc21	2163004031	UEJIVMXCRHCGAP-UHFFFAOYSA-N	369.425	2.390	10	10	FECE	
c1cc(N2CCN(CC3CC3)CC2)ccc1CNc1ccc2nncn2n1	827851675	HDEHFJHHIBLCSK-UHFFFAOYSA-N	363.469	2.268	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)O	909042529	GJAZRFFBKGZTMW-PBHICJAKSA-N	363.458	2.130	10	10	FECE	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)C1(CF)CCOCC1	837713311	DLEGNOGMOGDOEP-UHFFFAOYSA-N	372.387	2.184	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)c1ccc(F)cc1	730109217	CZOISOYOTXKTRZ-UHFFFAOYSA-N	360.360	2.301	10	10	FECE	
CN1C(=O)N[C@]2(CCC[C@@H]2CNC/C=C\c2ccc(N(C)C)cc2)C1=O	835043440	QZOVJALCZRFZPT-VPCYTDGVSA-N	356.470	2.076	10	10	FECE	
O=C(NCCCSc1nccs1)N1C[C@H](O)C[C@H]1[C@H]1CCCOC1	838513703	KRPGQHUEAMHATA-MJBXVCDLSA-N	371.528	2.197	10	10	FECE	
C[C@@H](NCCN1CCC(N)CC1)c1cc(Br)cc(F)c1O	925810669	FHRITBPIPFMYME-SNVBAGLBSA-N	360.271	2.368	10	10	FECE	
COC(=O)[C@@H]1CN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)C[C@H](C)O1	855025268	TUTFUJZVMNMEOA-KXBFYZLASA-N	370.449	2.426	10	10	FECE	
CN(C)c1ccc([C@H](N)CNS(=O)(=O)c2cccc(Cl)c2O)cc1	866757428	UGHIMILWMQMHMY-CQSZACIVSA-N	369.874	2.090	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)c3cc(C)c(CC)o3)nc12	761394276	CNZYLPRMIUQKEN-UHFFFAOYSA-N	373.365	2.432	10	10	FECE	
CCCN(CCC)c1ccc(CN2CCNC(=O)[C@H]2CC(=O)OC)cc1	768161146	RZQVFOYNESOMTQ-GOSISDBHSA-N	361.486	2.177	10	10	FECE	
O=C(CCc1ccc2c(c1)OCCO2)OCC(=O)c1ccc(O)c(O)c1	782587472	BLJVEOYBTPSPCB-UHFFFAOYSA-N	358.346	2.228	10	10	FECE	
CCn1nccc1CN(CCO)C(=O)NCc1ccc(N2CCCC2)cc1	792858338	OUUZVUAHEZDLDH-UHFFFAOYSA-N	371.485	2.207	10	10	FECE	
COc1ccc(CNC(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)c(O)c1	797650113	DPRXWOAWVBSQLE-ZDUSSCGKSA-N	358.320	2.237	10	10	FECE	
Oc1ccc(CCNc2cnc(I)nc2)cc1O	1162685784	BRPCSRBRPRMNRI-UHFFFAOYSA-N	357.151	2.147	10	10	FECE	
CCOCc1nnc(N(C)Cc2ccccc2O)n1Cc1cnn(C)c1C	1516462251	RIIJPYSHFLEHQD-UHFFFAOYSA-N	370.457	2.247	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	1455357023	MKIIXRRQTBULLE-UHFFFAOYSA-N	354.322	2.122	10	10	FECE	
C[C@H](NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1cc(O)ccc1O	1918959929	DNEWKYALWWSBCC-KPZWWZAWSA-N	352.431	2.120	10	10	FECE	
COc1cc(/C=C2\C(=O)NN(c3ccc(C)cc3)C2=O)ccc1OC(C)=O	1191905	NUVFDDBWLLRSNR-MHWRWJLKSA-N	366.373	2.390	10	10	FECE	
COc1cc(N2CCN(c3ncccc3F)CC2)c([N+](=O)[O-])cc1OC	1642534586	ZNLBYOIINPHIND-UHFFFAOYSA-N	362.361	2.473	10	10	FECE	
CCNCc1ccc(N(C)[C@@H]2CCS(=O)(=O)C2)c(Br)c1	233511386	CBSGQNNBDLLITD-GFCCVEGCSA-N	361.305	2.182	10	10	FECE	
COc1ccc(O)c(CNCCCOCCNC(=O)OC(C)(C)C)c1	2049162293	KYOQQSKRKICCFN-UHFFFAOYSA-N	354.447	2.422	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1)C(C)(C)O	2067739058	FBKUPZIBMFGOME-NEPJUHHUSA-N	355.439	2.342	10	10	FECE	
CN1CCc2cc([C@@H](N)C3(O)CC(C)(NC(=O)OC(C)(C)C)C3)ccc21	2106849708	ZRPUSYNHIWRXSA-PBPGXSGUSA-N	361.486	2.487	10	10	FECE	
COc1ccc(O)c([C@@H](C)NCC2(O)CC(NC(=O)OC(C)(C)C)C2)c1	2107273135	QAAWACBWSUIFMR-BYKITBGFSA-N	366.458	2.470	10	10	FECE	
CCCN(CCS(C)(=O)=O)Cc1cc(Br)ccc1O	2113786784	MQZPVKLBRYJFBS-UHFFFAOYSA-N	350.278	2.411	10	10	FECE	
COc1ccc(OC)c([C@H]2CC(=O)NC(NC(=O)c3cccc(F)c3)=N2)c1	6870820	ZQVPEYIDKOWCCG-OAHLLOKOSA-N	371.368	2.190	10	10	FECE	
Cn1c(=O)c(C2=NNC(=O)/C2=C/Cc2ccccc2)c(O)c2ccccc21	106031928	WFDWKJUJNRXUFH-NTCAYCPXSA-N	359.385	2.247	10	10	FECE	
Cc1ccc(CC(=O)N2CCN(Cc3cc([N+](=O)[O-])ccc3O)CC2)cc1	170914753	CSVRTERDVBMTAL-UHFFFAOYSA-N	369.421	2.496	10	10	FECE	
CC(=O)NCCNC(=O)CN(Cc1ccccc1O)[C@@H](C)c1ccccc1	176689901	CKUVGQCMQLZRHJ-INIZCTEOSA-N	369.465	2.208	10	10	FECE	
CN(C)c1ccc(C23NC(=O)NC2(c2ccc(Cl)cc2)NC(=O)N3)cc1	248061905	QKKUVSDGSPNGCI-UHFFFAOYSA-N	371.828	2.037	10	10	FECE	
C[C@H]1CN(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)[C@@H](C)CO1	246194390	OEKCGLOTPZFXAR-GJZGRUSLSA-N	368.499	2.491	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@H]4C[C@H]4C3)cc2)CC1	817447368	CBNQEKOZKCJVRP-OTWHNJEPSA-N	355.482	2.408	10	10	FECE	
CCOC(=O)CNC(=O)C1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1	835027825	DEEMCNWXEADKIU-AATRIKPKSA-N	373.497	2.157	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)cc2)C1	738983568	GPFOPKOHOHQKOP-LSTDLKDCSA-N	370.497	2.376	10	10	FECE	
O=[N+]([O-])c1nn(Cc2ccc(N3CCOCC3)cc2)cc1Br	916747431	BVNMWXVCJWINQH-UHFFFAOYSA-N	367.203	2.439	10	10	FECE	
CN(C)c1ccc(CNS(=O)(=O)Cc2noc3c2CCCC3)cc1F	914013908	GNVIBBZNQIPIDW-UHFFFAOYSA-N	367.446	2.378	10	10	FECE	
COc1cc(Br)cc([C@H](C)NC[C@]2(C)CCC(=O)N2)c1O	848552110	HETPSYVIAKGIFQ-VFZGTOFNSA-N	357.248	2.483	10	10	FECE	
C[C@]1(Br)C[C@@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	858625995	JJGXWOYVWJUVQN-WBMJQRKESA-N	371.250	2.452	10	10	FECE	
Cc1cc(CCNC(=O)NC[C@]2(O)CCOC2)c(C)n1-c1ccccc1	755052755	CQQWOTFTZDKKRW-HXUWFJFHSA-N	357.454	2.087	10	10	FECE	
C[C@@H]1C[C@H](N[C@H]2CCN(c3ccc4nncn4n3)C2)c2c(O)ccc(F)c21	858488676	JUQZPSWVBLFHMO-DYEKYZERSA-N	368.416	2.386	10	10	FECE	
Cc1cc(C)c2c(N)c(C(=O)OC[C@@H](C)CS(C)(=O)=O)sc2n1	757980158	IMMXFFPFFYJXHX-MRVPVSSYSA-N	356.469	2.333	10	10	FECE	
CNC(=O)COc1ccc(NC(=O)N2Cc3cccc(O)c3C2)c(C)c1	931238843	LWNDLBKTTBDVDY-UHFFFAOYSA-N	355.394	2.373	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)C[C@@H]3CCC3(F)F)C2)cc1	867498338	XXKHZTSCJZZLKG-QWHCGFSZSA-N	360.426	2.239	10	10	FECE	
Cc1ccc(S(=O)(=O)NCCC(=O)N2Cc3cccc(O)c3C2)cc1C	871199956	WORYCMPLRWAWBR-UHFFFAOYSA-N	374.462	2.220	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)CC[C@@H]2CC[C@H](C3OCCO3)O2)c1	896163253	KVHDMWBLEFGTOO-GDZNZVCISA-N	365.426	2.279	10	10	FECE	
CC(C)(CNCc1cc(Br)ccc1O)CS(C)(=O)=O	723851509	ZOFYKHWZAYWSEU-UHFFFAOYSA-N	350.278	2.315	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(C(=O)NCc2ccccc2O)C1	2124173514	YGGJUVXSSCLJIL-KUHUBIRLSA-N	362.426	2.034	10	10	FECE	
CN1CCC2(CC1)CN(Cc1ccc(Br)cc1O)CCO2	1330819804	ZCROSVKAVUROCB-UHFFFAOYSA-N	355.276	2.451	10	10	FECE	
CC(C)(C)OC(=O)NCC1(NC(=O)c2cc(O)c(O)c(O)c2)CCCC1	2132410053	KBUIJDYIJPBBDX-UHFFFAOYSA-N	366.414	2.371	10	10	FECE	
O=C(NCc1ccc(N2CCCCC2)cc1)C1CC2(C1)CS(=O)(=O)C2	1349652440	JQYYQDTYMXSVKC-UHFFFAOYSA-N	362.495	2.118	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H]1CCC2(CCC2)CO1	1350547747	XKAJVFQOOHBDPA-SFHVURJKSA-N	373.497	2.177	10	10	FECE	
Nc1ccc(CC(=O)N2CCN3[C@@H](COC[C@H]3c3ccccc3)C2)cc1	1615965092	CXXLATYRJUCEDK-UXHICEINSA-N	351.450	2.096	10	10	FECE	
CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1CC1(O)CCOCC1	1541428815	KTEVLALOURCSDP-UHFFFAOYSA-N	374.485	2.360	10	10	FECE	
CCCOc1ccnc(CC(=O)NCc2ccc3cccnc3c2O)n1	1557121808	BDDMUCNNGISUCV-UHFFFAOYSA-N	352.394	2.378	10	10	FECE	
COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)/C=C\c1ccc(O)c(O)c1	1634854257	VYUVEURQIMQJGN-HMZQOCAUSA-N	359.353	2.151	10	10	FECE	
Cc1ccc(F)c(-n2cc(O)c(C(=O)NCc3cc(O)ccc3O)n2)c1	1633599218	SULWVMISYBPTPV-UHFFFAOYSA-N	357.341	2.367	10	10	FECE	
COc1ccc(N2CCC(CO)(CNC(=O)OC(C)(C)C)CC2)c(N)c1	2138137946	AGRJRCVAONDYLU-UHFFFAOYSA-N	365.474	2.381	10	10	FECE	
CC(C)(C)OC(=O)CC1(C(=O)NCc2c(O)cccc2O)CCOCC1	1597574496	NRAJTSLADQZYBS-UHFFFAOYSA-N	365.426	2.243	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2[C@@H]3C[C@H]4[C@H](CO[C@H]42)C3)cc1	1675198852	XLVXIOMBSBYFGR-CJBAZIHXSA-N	359.470	2.196	10	10	FECE	
COc1ccc(CN2CCN(C(=O)COc3ccc(F)cc3)CC2)c(O)c1	160625605	PWYJTLKVYHQLGX-UHFFFAOYSA-N	374.412	2.263	10	10	FECE	
C[C@H](O)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S	1858591932	DEFXSMHZBJNPTD-OMOYZJFYSA-N	357.840	2.375	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(F)c2O)[C@H](C(=O)O)C1	1962838929	VJKMAGBDWOFSAT-ZDUSSCGKSA-N	372.368	2.176	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CN[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O	1974155892	CMDBMGRIGLCREY-XMPBJOIFSA-N	362.651	2.028	10	10	FECE	
O=C(N[C@@H]1CC[C@H]1NC(=O)c1ccc(O)c(O)c1)OCc1ccccc1	1982317812	WBEMNWOPLWXKEM-HUUCEWRRSA-N	356.378	2.285	10	10	FECE	
CCOc1cccc(CN[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c1O	2032626118	YXSCEDAIVPGXON-KGLIPLIRSA-N	352.431	2.173	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N(C)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21	2163028189	BAEQNXNLEMPFBT-SJWGOKEGSA-N	374.485	2.393	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1cccc(O)c1O	2054398410	XUZKSIIQZPQHJU-NEPJUHHUSA-N	350.415	2.331	10	10	FECE	
O=C(O)[C@H]1C[C@@H](O)CCN1Cc1cc(Cl)cc(Br)c1O	2201090314	JNAOIHAUIWEQGB-GXSJLCMTSA-N	364.623	2.218	10	10	FECE	
Cc1cccc(O)c1CNCCn1cc(CNC(=O)OC(C)(C)C)nn1	2271520549	WNBARFFQBPAISW-UHFFFAOYSA-N	361.446	2.107	10	10	FECE	
CO[C@H]1[C@H](CNCc2ccc(N)cc2)N(C(=O)OC(C)(C)C)C[C@H]1OC	2264755015	XZPFFHVSHZRPRB-BBWFWOEESA-N	365.474	2.008	10	10	FECE	
COC(=O)c1ccc(-n2c(C)cc(C=C3NC(=S)NC3=O)c2C)cc1	2293547196	BWXDHTMRNABGOU-UHFFFAOYSA-N	355.419	2.226	10	10	FECE	
N=C1C(=Cc2ccc(O)c(O)c2)C(=O)N=C2SC(c3cccnc3)=NN12	2296157068	FJYZRJMLSBMRCV-UHFFFAOYSA-N	365.374	2.160	10	10	FECE	
Cc1cc(C=CC(=O)N2CCN3C(=O)NC[C@H]3C2)c(C)n1-c1ccccc1	2297812396	OCKZBRTUEQEXEQ-IBGZPJMESA-N	364.449	2.343	10	10	FECE	
Cc1cc(C=CC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c(C)n1-c1ccccc1	2299172376	FTWCOYVVXMEDFU-RTBURBONSA-N	367.449	2.256	10	10	FECE	
COc1cc(NC=C2C(=O)NC(=O)N(CCCC(C)C)C2=O)ccc1O	2313577405	PQJMBRKEFQLOKA-UHFFFAOYSA-N	361.398	2.211	10	10	FECE	
Cc1nc2cc(C(=O)O)ccn2c1N=Nc1ccc(S(N)(=O)=O)cc1	2320774246	LVKKQLYFJARKRD-UHFFFAOYSA-N	359.367	2.404	10	10	FECE	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)c1	4863390	MLFXQJNBFNQIMI-JYRVWZFOSA-N	355.306	2.471	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCN1c1nccs1	110658917	LKGYKHHMIWHCJD-QGZVFWFLSA-N	372.494	2.265	10	10	FECE	
Cc1ccc(-n2c(C)cc(/C=C/C(=O)N3C[C@@H](O)C[C@H]3CO)c2C)cc1	185914108	OUPSBHRFQUAXLV-IECUYZFFSA-N	354.450	2.370	10	10	FECE	
C[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C[C@@H]1N1CCOCC1	180227787	ZUZWZCFKMIGOEE-NHYWBVRUSA-N	355.822	2.106	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3c3nccs3)CC2)cc1	75488090	RFLXUARXOXMZLO-KRWDZBQOSA-N	372.494	2.469	10	10	FECE	
O=C(O)c1ccc2c(=O)n(Cc3ccc(N4CCCC4)cc3)c(=O)[nH]c2c1	70460591	FREKNMBOSQHGGE-UHFFFAOYSA-N	365.389	2.037	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)cc1	132561259	RMVVDMFJFPVSNK-MSOLQXFVSA-N	373.453	2.380	10	10	FECE	
CC(C)CN1C(=O)/C(=C/N[C@@H](C)c2ccc(F)c(F)c2)C(=O)NC1=S	255216740	HSTIHVDKEGNIQQ-QVIVLVACSA-N	367.421	2.399	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CC[C@]4(C)[C@@H](C3)C4(F)F)nc12	298234618	HZXNJGZTRZSWOC-MLGOLLRUSA-N	366.368	2.089	10	10	FECE	
CN(C(=O)CN1C[C@H](NC(=O)OC(C)(C)C)C2(CC2)C1)c1ccc(N)cc1	2163037722	DXBXEUNKAYESRU-INIZCTEOSA-N	374.485	2.221	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NCc2cscn2)cc1F	804018338	QAPOAJVWZDWONH-UHFFFAOYSA-N	364.446	2.061	10	10	FECE	
O=C(CCCCc1cnn[nH]1)NCc1cc(Br)ccc1O	804737194	LHLVIMYWTBJKMA-UHFFFAOYSA-N	353.220	2.302	10	10	FECE	
C[C@H](CO)[C@H](C)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	295711409	KEKMUHABXRNYPE-OLZOCXBDSA-N	366.417	2.007	10	10	FECE	
Cc1nc(C2(NCC(=O)NCc3ccc(N(C)C)cc3)CCCC2)no1	299574419	HNTHVUBBLSVKSR-UHFFFAOYSA-N	357.458	2.119	10	10	FECE	
COc1ccc(CNS(=O)(=O)c2cccnc2C(F)(F)F)c(O)c1	805085274	DPCBXBNJHUVJED-UHFFFAOYSA-N	362.329	2.293	10	10	FECE	
CCOc1cccc(CN2CCc3sc(S(N)(=O)=O)cc3C2)c1O	827769635	QVSRGOQEAQOEND-UHFFFAOYSA-N	368.480	2.058	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H](C)[C@@H]1CCCO1	907220967	NNYXQEVWFDSUIK-ABAIWWIYSA-N	355.818	2.362	10	10	FECE	
Cc1ccc([C@@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)N2CCOCC2)o1	588403315	DNSFRTMGJVXDTI-HQQUCIOCSA-N	372.421	2.202	10	10	FECE	
COc1ccc(O)c(CNC(=O)CCc2nc3ccccc3oc2=O)c1	734016049	HVSFZOYIMDSDGU-UHFFFAOYSA-N	354.362	2.151	10	10	FECE	
C[C@@H](NC(=O)NCc1cncc(O)c1)c1ccc(N2CCOCC2)cc1	914401018	ZQBVUOHAYRWVNU-CQSZACIVSA-N	356.426	2.184	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@]12C[C@H]1COC21CCC1	914334890	HJKPXKSRPQUPKA-OXJNMPFZSA-N	357.454	2.034	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3CCO[C@H]([C@H](C)O)C3)c2C)cc1	840564915	HLENKSVBBAYEPR-KXBFYZLASA-N	358.438	2.325	10	10	FECE	
Cn1nnc2ccc(C(=O)NCc3cccc(Br)c3O)cc21	765766496	YKGFYEZTKIKTOY-UHFFFAOYSA-N	361.199	2.366	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CC3(CCOCC3)CO2)c1	869031012	BZEPSAOIGCUDRQ-HIFRSBDPSA-N	364.442	2.347	10	10	FECE	
COc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cnc1OC	861417413	YESBQLQQHXIHAB-UHFFFAOYSA-N	372.425	2.257	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NCc2ccc(O)c(O)c2)C1	779000975	NYYBMSLWWFSVJO-CYBMUJFWSA-N	350.415	2.361	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCN(C2CCC2)C1=O	1118858805	VOFCHZVWKUWVNZ-GOSISDBHSA-N	356.470	2.239	10	10	FECE	
CCOC(=O)c1nn(C)cc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1	770648320	DZOLWUJUGCRGDG-HNNXBMFYSA-N	372.469	2.284	10	10	FECE	
COc1cc(Cl)cc(CNCCN2C[C@@H]3CCCCN3C2=O)c1O	895345165	YAAKEZHCHGXFTK-AWEZNQCLSA-N	353.850	2.434	10	10	FECE	
COCCOc1ccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)cc1	797820457	YKRMGHFFJIIJBO-UHFFFAOYSA-N	353.396	2.227	10	10	FECE	
C[C@@H](NCC1(CCO)CN(C(=O)OC(C)(C)C)C1)c1cc(O)ccc1O	2119202995	RIWMUVDXNRWWOX-CYBMUJFWSA-N	366.458	2.368	10	10	FECE	
CCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2cc(O)c(O)c(O)c2)C1	2132409434	FOOFBIYTKLEEFN-UHFFFAOYSA-N	366.414	2.369	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](C)(CNC(=O)c2cc(O)c(O)c(O)c2)C1	2132408232	VHJPGFXSUGFVOA-GOSISDBHSA-N	366.414	2.180	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@@H]2CCOC2)n1CCC(C)(C)O	1503487598	MCAOULUSFXUYAR-OAHLLOKOSA-N	360.458	2.285	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1	1526324752	STDRPGMKODIKOI-MSOLQXFVSA-N	361.486	2.303	10	10	FECE	
CCc1c(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cnn1CC	1536933197	GPUAXSVQXNRNAH-UHFFFAOYSA-N	355.486	2.147	10	10	FECE	
Cn1ncc(Br)c1CNC(=O)NCc1c(O)cccc1F	1471052810	HZCWZHRCXIZHEN-UHFFFAOYSA-N	357.183	2.027	10	10	FECE	
Cc1occc1C(=O)NC1CCN(C(=O)c2c(F)ccc(O)c2O)CC1	1638275135	KITOLUFJHSPTHM-UHFFFAOYSA-N	362.357	2.173	10	10	FECE	
C[C@@H]1CCCN(C(=O)C2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)C1	1595710263	VDGXWWLIVFUTMW-CQSZACIVSA-N	360.454	2.137	10	10	FECE	
CCN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCOCC2)cc1	1764720844	LSFXNDJRNCYTEL-QGZVFWFLSA-N	371.485	2.123	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CCO)(CNCc2cc(F)ccc2O)C1	1972799595	FTQAOZFMJBADEA-UHFFFAOYSA-N	354.422	2.240	10	10	FECE	
CN(c1ccc(CN)c(Br)c1)[C@H]1CCCS(=O)(=O)CC1	710624144	WUNKITBJDCZRJH-LBPRGKRZSA-N	361.305	2.311	10	10	FECE	
COc1ccc(N2CCC(O)(CNC(=O)OC(C)(C)C)CC2)c(N)c1	2044743617	OYYPUTQTNCJCSB-UHFFFAOYSA-N	351.447	2.133	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060608941	ONGFHWDSCHFXDO-BLLLJJGKSA-N	353.423	2.050	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CCN(C(=O)COc3ccc(N)cc3)C2)C1	2106694712	UPELQNHFZNUQMU-UHFFFAOYSA-N	361.442	2.117	10	10	FECE	
CN1CCc2cc([C@H](N)c3cn(C)[nH]c3=NC(=O)OC(C)(C)C)ccc21	2106849777	ATJAFPLPBFEBQQ-INIZCTEOSA-N	357.458	2.229	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@@H](Nc1c(N)cccc1C(N)=O)C2	2108837822	NHFGMQDHBWOANI-HUBLWGQQSA-N	360.458	2.425	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@]1(C)C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-]	2218737655	JMNMBAGPCPIZID-HWWQOWPSSA-N	353.423	2.360	10	10	FECE	
CCN(C=C1SC(=S)N(C2CCCC2)C1=O)[C@H]1CCS(=O)(=O)C1	2296535445	FIUXBXGMBFMGSQ-LBPRGKRZSA-N	374.553	2.140	10	10	FECE	
NC(=O)CC[C@H]1CCCN(C(=O)C=Cc2ccc(N3CCOCC3)cc2)C1	2297505678	IHJROAPMVUWORN-GOSISDBHSA-N	371.481	2.041	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N[C@H]1CCN(C(=O)C2CCCCC2)C1	2308002207	FUTAIYPYZHWQGJ-INIZCTEOSA-N	358.438	2.408	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1Cc2cccnc2C1	1346117241	XQXDZMQDVNBJFM-SFHVURJKSA-N	351.450	2.292	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)CSc2nncn2C)cc1F	66841651	CVADTJNXYMYSSC-UHFFFAOYSA-N	351.451	2.209	10	10	FECE	
Cc1cccc(S(=O)(=O)N2CCN(c3ccc4c(c3)OCCO4)CC2)c1	41380303	DTRPTSPZFCDKIU-UHFFFAOYSA-N	374.462	2.277	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccnc(NC(C)C)n3)CC2)cc1	244419134	YSNRHCJSVXXGMY-UHFFFAOYSA-N	355.442	2.268	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC(CN(C)C)C2)C1	615504911	AZGHQSHQCIOIDA-UHFFFAOYSA-N	368.525	2.428	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(O)c2O)[C@H](C(F)F)C1	366474137	OBFOSLCMJCVYJH-NSHDSACASA-N	372.368	2.424	10	10	FECE	
CCN(Cc1ccc(C)c(Br)c1O)[C@H]1CCS(=O)(=O)C1	2381136969	KKQQMWKGZHZVHL-LBPRGKRZSA-N	362.289	2.472	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(Cl)cn1	287307570	GODJKPBEXKVFPX-UHFFFAOYSA-N	361.829	2.496	10	10	FECE	
CN(C)Cc1cc([C@]2(C(=O)O)C[C@@H]2NC(=O)OC(C)(C)C)ccc1O	1952905956	HYOKBUUBNRHGKF-KBXCAEBGSA-N	350.415	2.073	10	10	FECE	
C[C@@H]1[C@@H](NC(=O)c2c(F)ccc(O)c2O)CC(=O)N1Cc1ccccc1	831210316	GYERSQSBCSPKEI-RISCZKNCSA-N	358.369	2.156	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1nccnc1SC	911312410	ZSYJWBUNQNFIIF-UHFFFAOYSA-N	361.423	2.110	10	10	FECE	
CCc1cc(N2CCC[C@H](NC(=O)NCc3c(O)cccc3F)C2)ncn1	918327564	GQJJUSLICNNMEF-AWEZNQCLSA-N	373.432	2.352	10	10	FECE	
COc1ccc(O)c(CNC(=O)NCc2cc(C(F)(F)F)nn2C)c1	918745490	MOOKBFLDIHJIEM-UHFFFAOYSA-N	358.320	2.153	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)C3(C(F)F)CC3)cc2)CC1	843583781	OJYHPEIZTZYQMU-UHFFFAOYSA-N	351.397	2.017	10	10	FECE	
CC(C)C1CN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1	753577487	CGUVBLLYJQUQRZ-INIZCTEOSA-N	358.486	2.186	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C3CC3)[C@H](CO)C3CC3)C2)cc1	854297687	QXPQJUKVONUZCJ-PWIZWCRZSA-N	373.497	2.370	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3cccc(OC)c3)C2)cc1	850537109	QZBCXXVVCUGGNG-OAHLLOKOSA-N	369.421	2.037	10	10	FECE	
CN(c1ccc(CN)cc1Br)[C@@H]1CCCS(=O)(=O)CC1	694207782	OTCLPPAUXNJGKI-GFCCVEGCSA-N	361.305	2.311	10	10	FECE	
CC(C)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H]1CCCCO1	759093006	HHRWSZPECXNOCQ-HNNXBMFYSA-N	370.471	2.089	10	10	FECE	
c1cc(N2CCOCC2)ccc1Cn1nnnc1N1[C@H]2CCC[C@H]1CC2	1355493079	HIYZJFADUBBDLD-ROUUACIJSA-N	354.458	2.079	10	10	FECE	
CNCCCC(=O)N1CCC(N[C@@H](C)c2cc(F)cc(F)c2O)CC1	854230639	ATWZPMMMGBICFS-LBPRGKRZSA-N	355.429	2.312	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccnn3C3CCOCC3)C2)cc1	855224797	HEPIXIKRAQSKBT-HNNXBMFYSA-N	370.453	2.252	10	10	FECE	
CCN(C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1CCN(C)C1	853487861	ZBQASRYYHNZQHA-VQIMIIECSA-N	360.502	2.320	10	10	FECE	
CC(C)[C@H](C)NC(=O)C1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1	768445281	REYPJGSHOCDLFV-UGSOOPFHSA-N	362.470	2.191	10	10	FECE	
COCc1cc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ncn1	772373782	FKNKRRAKFWYZCS-AWEZNQCLSA-N	371.441	2.342	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)[C@H]3C[C@H]4C=C[C@H]3O4)cc2F)C[C@@H](C)O1	1119763223	ODJOPZSHCTYZQC-AYHHTESJSA-N	360.429	2.399	10	10	FECE	
CCOC(=O)[C@@H](CCOC(C)(C)C)NC(=O)/C=C/c1ccc(O)c(O)c1	779544352	LITKVIGPHBTVJG-RCQQVGEISA-N	365.426	2.364	10	10	FECE	
Cc1cn2cc(NC(=O)C(=O)NCc3ccc(N(C)C)c(F)c3)ccc2n1	774188938	MMAZIFOAWROQSK-UHFFFAOYSA-N	369.400	2.103	10	10	FECE	
C[C@@H]1CO[C@H](C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1	888290041	WIXWCGHRVOZUBP-NUXNZHGMSA-N	350.434	2.481	10	10	FECE	
COC(=O)[C@H](C[C@H]1CCCO1)NCc1ccc(OC)c(Cn2cccn2)c1	895864902	PDWWLTDRMRXNFU-MSOLQXFVSA-N	373.453	2.140	10	10	FECE	
CN(Cc1ccsn1)c1cc2c(cc1Br)[C@@H](N)C(=O)N2	705682326	WSMRJNSMPPPTRP-GFCCVEGCSA-N	353.245	2.494	10	10	FECE	
COC1([C@@H](NC(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]2C[C@H](N)C2)CCCC1	2115981296	AAWQZMWZUSJQAY-XEZPLFJOSA-N	368.474	2.105	10	10	FECE	
CN(CCOCCOCCO)c1ccc(CNC(=O)OC(C)(C)C)cc1	2127827473	BMVUUXMJNANXNX-UHFFFAOYSA-N	368.474	2.173	10	10	FECE	
C[C@@H](NC(=O)C(=O)Nc1cc(C2CC2)nn1C)c1ccc(N(C)C)cc1	1344442579	IYGKQGMVLZGQSB-GFCCVEGCSA-N	355.442	2.179	10	10	FECE	
C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccc(N4CCOCC4)cc3)CN2C1	1347384960	QSINNPQTVACZEA-YVWKXTFCSA-N	357.498	2.260	10	10	FECE	
COc1ccc(CNCC(C)(C)CN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1C	1275668809	VLECKRZJDZKBCW-HZPDHXFCSA-N	363.458	2.243	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)c3cc(=O)cc[nH]3)cc2F)C[C@@H](C)O1	1464311735	VMVAXCHIXFZEST-CHWSQXEVSA-N	359.401	2.058	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)[C@H]2Cc3ccccc3O2)N(C)C)cc1	1627464824	RZENVZUVPAFNCQ-UYAOXDASSA-N	353.466	2.475	10	10	FECE	
CN1CCN([C@H]2CC[C@@H](NC(=O)c3ccc(N=NC(N)=O)cc3)CC2)CC1	1556299192	HIDCKAZVAVKBNC-WOVMCDHWSA-N	372.473	2.137	10	10	FECE	
CCOC(=O)[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccccc1	1638347758	LNBWEDWKIVTLNE-SCLBCKFNSA-N	357.406	2.492	10	10	FECE	
Nc1cccnc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	1631425760	NWKDRNHANHDBHG-AWEZNQCLSA-N	360.845	2.417	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1cccn(Cc2ccccc2)c1=O	1651223181	YNZYLDVUODFDOC-UHFFFAOYSA-N	350.374	2.238	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2[C@@H]3C[C@@H]4[C@@H]2OC[C@@H]4C3)cc1	1675198853	XLVXIOMBSBYFGR-HLQCWHFUSA-N	359.470	2.196	10	10	FECE	
COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)NCc1cc(C)ccc1O	1687790291	AASBSDXPUGUIBO-ZDUSSCGKSA-N	358.398	2.018	10	10	FECE	
CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NCc1ccc(O)c(O)c1	159004735	SFMUQLHBTZEFJH-QGZVFWFLSA-N	360.385	2.308	10	10	FECE	
O=[N+]([O-])c1cc(CO)ccc1N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1	2153997940	QHKLLZXSNCSBBH-WOJBJXKFSA-N	369.421	2.177	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(NCc2ccc(O)c(O)c2O)C1	2033965618	BEBDQRRQKQMIDR-SGTLLEGYSA-N	350.415	2.293	10	10	FECE	
CN(C(=O)CN1CC(C2CN(C(=O)OC(C)(C)C)C2)C1)c1ccc(N)cc1	2196641665	MRTFPRANRQISIY-UHFFFAOYSA-N	374.485	2.030	10	10	FECE	
Cc1nc(I)cc(=NCCc2ccc(N)cc2)[nH]1	2057380508	WBBDEZWTIROCRC-UHFFFAOYSA-N	354.195	2.048	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2060638098	RYNAIAFQOKFNMU-XQQFMLRXSA-N	355.439	2.200	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)CCOc1ccc(N)cc1	2106232151	ISGQEIDDXFPIQR-CZUORRHYSA-N	363.458	2.409	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCCc3c(N)cccc32)=C[C@H]1O	2200986410	AYQZJVFJQWREAD-NVXWUHKLSA-N	373.453	2.132	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-]	2218735780	RQMVEUGZWBYTMG-CYDGBPFRSA-N	353.423	2.264	10	10	FECE	
COc1cccc(O)c1CN[C@@]12CO[C@@H](C1)[C@H](NC(=O)OC(C)(C)C)C2	2266456004	QPVVUIZUIBLAME-ACWOFJMJSA-N	364.442	2.315	10	10	FECE	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(\C)NCCO)cc1	101834252	MHSALWCNTZRXDX-NBVRZTHBSA-N	351.406	2.302	10	10	FECE	
C[C@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)Cn1cccn1	108777928	UTYPFKIINYQEFY-ZGRWHYIRSA-N	354.454	2.185	10	10	FECE	
Nc1ccc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	171531529	CWTFUAQEVXYTPN-UHFFFAOYSA-N	355.803	2.351	10	10	FECE	
C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	188494298	YWPCTXKSEKUEIB-XJKSGUPXSA-N	350.434	2.218	10	10	FECE	
O=C(NC1(C(=O)O)CC(c2ccc(O)c(O)c2O)C1)OCc1ccccc1	1952552838	WOACNTXIAFINPS-UHFFFAOYSA-N	373.361	2.431	10	10	FECE	
C[C@@H]1CN([C@@H](CNC(=O)c2cccc(O)c2O)c2cccs2)CCO1	193127001	RPCUGRCLTGZIRH-OCCSQVGLSA-N	362.451	2.351	10	10	FECE	
CCOc1ccnc(N2CCCN(Cc3ccc(OC)cc3O)CC2)n1	91959626	FCPUTZZBOBQIQF-UHFFFAOYSA-N	358.442	2.302	10	10	FECE	
CC[C@H](COC)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	93984709	RCNSZJJTKFGPGU-LJQANCHMSA-N	374.529	2.443	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC[C@@H](CCC(N)=O)C2)c([N+](=O)[O-])c1	255438206	ICXMDVQEMLHPBZ-PIZKADEWSA-N	361.398	2.263	10	10	FECE	
COc1cccc(CNC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1O	266852892	QYUIACGTFARYBA-CYBMUJFWSA-N	365.430	2.209	10	10	FECE	
COc1cc(O)c(CN2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1OC	271894292	XTWDXKNLMVVJMW-HOCLYGCPSA-N	363.410	2.327	10	10	FECE	
O=C(N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1cccc(O)c1O	366172123	PPEICSQBFRLGTH-CYBMUJFWSA-N	368.368	2.240	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N(C)C[C@H]1CCCO1	297880103	QLQLTLUFGFSMKS-LJQANCHMSA-N	373.497	2.273	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1	2163041167	DQSHFHHVLCDUPN-KFWWJZLASA-N	374.485	2.395	10	10	FECE	
COc1ccc(Br)c2[nH]c(C(=O)OCC(=O)C(C)=O)cc12	808500175	GZONBFKMVZTZPB-UHFFFAOYSA-N	354.156	2.254	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@H](NCc1ccc(N3CCOCC3)cc1)C2	818234696	QOBDWLZMWDCSPO-UHOSZYNNSA-N	359.470	2.232	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)NC3CCC4(CC3)CC4)C2)cc1	828591907	OTEZYLTZPLONBV-INIZCTEOSA-N	371.481	2.229	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CC(c2ccccn2)=NO1	906110781	HKLFXIHYQIOPQL-IBGZPJMESA-N	350.422	2.491	10	10	FECE	
CN=[S@](C)(=O)CCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC	912793780	KGVDZLUBLULNGJ-RUZDIDTESA-N	365.499	2.362	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)CCc3ccc(C)o3)nc12	747036441	JBNWOMFCQHCVMA-UHFFFAOYSA-N	373.365	2.189	10	10	FECE	
C[C@H](NCC(C)(C)[C@@]1(O)CCOC1)c1ccc(N2CCOCC2)c(F)c1	842919196	JMUBTLKHYOEYEM-MGPUTAFESA-N	366.477	2.491	10	10	FECE	
COc1cc(Br)cc([C@H](C)N[C@H](C)C(=O)NCCF)c1O	848548915	MCZHKJIETGHDQJ-DTWKUNHWSA-N	363.227	2.288	10	10	FECE	
COc1ccc([C@@H]2CCNC[C@@H]2NC(=O)Cc2ccc(N)cc2)cc1F	851643643	CCEWIQBXJJPOTK-WMZOPIPTSA-N	357.429	2.221	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCCc4nn(C)cc43)C2)cc1	855224951	MDGFWDJBCQWBCE-PBHICJAKSA-N	354.454	2.244	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)Cc3cc(C)[nH]n3)C2)cc1	852220775	XMDYDVKWGYXDKQ-DZGCQCFKSA-N	357.458	2.236	10	10	FECE	
COC[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)C1CCOCC1	852468906	VJSNOQNPRXSZLA-INIZCTEOSA-N	353.438	2.133	10	10	FECE	
C[C@H](NC(=O)N1C[C@@H]2COC[C@]2(C)C1)c1ccc(N2CCOCC2)cc1	852012316	JBZJTFIBFWBIKI-VPWXQRGCSA-N	359.470	2.262	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](C)N3CCCCC3)C2)cc1	852184891	INHVGGCJNRXIIG-IAGOWNOFSA-N	360.502	2.448	10	10	FECE	
COCCNC(=O)C1(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)CC1	854919213	YPDILTKVSZTWIZ-UHFFFAOYSA-N	369.465	2.048	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC(=O)N(C)[C@H](C)C2)c1	861546790	KZGTYVJQQNNZJX-CQSZACIVSA-N	353.422	2.209	10	10	FECE	
Cc1cc(CC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)c(C)n1-c1ccccc1	861717774	BVQDLHHYKFOPEM-SFTDATJTSA-N	367.493	2.304	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H]1CCC2(CCCC2)O1	1118403875	UWWBQWWFTSSSJE-SFHVURJKSA-N	373.497	2.285	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)C[C@H]3CCOC[C@H]3OC)CC2)cc1	1117755671	XEMTTZZMWAYAEM-VQIMIIECSA-N	362.470	2.176	10	10	FECE	
Cc1cc(CC(=O)N2C[C@H](CO)[C@@H](CCO)C2)c(C)n1-c1ccccc1	1124105621	NWSVITATSYCRMB-PKOBYXMFSA-N	356.466	2.086	10	10	FECE	
CNC(=O)[C@@H]1CCCN(Cc2c(C(=O)OC)n(C)c3ccc(F)cc23)C1	894020844	RLLBIJKSLOCFDB-GFCCVEGCSA-N	361.417	2.062	10	10	FECE	
C[C@H](NC(=O)N1CCOCC2(CC2)C1)c1ccc(N2CCOCC2)cc1	782715717	JWMRXGNTFJRBFZ-INIZCTEOSA-N	359.470	2.406	10	10	FECE	
COC(=O)c1cc(CNCc2ccc(N3CCN(C)CC3)cc2)[nH]c1C	895607991	GFILKCPJXHGCTK-UHFFFAOYSA-N	356.470	2.151	10	10	FECE	
CS(=O)(=O)N1CCCC[C@H]1CNCc1c(O)ccc(Cl)c1F	796512052	CIVDCFNEGRNJTR-JTQLQIEISA-N	350.843	2.088	10	10	FECE	
CN1CC[C@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)[C@H]2CCC[C@H]21	796703430	VBDOBKUFXZXBQT-FYZZASKESA-N	370.541	2.351	10	10	FECE	
CN1CC[C@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)[C@H]2CCC[C@@H]21	796703431	VBDOBKUFXZXBQT-NRDMVMEKSA-N	370.541	2.351	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1ccccc1CSc1nc[nH]n1	1178911344	MAUWUYIGRRISQY-UHFFFAOYSA-N	356.407	2.438	10	10	FECE	
Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2124514505	XTDONBOQXCVSKU-NSHDSACASA-N	363.422	2.217	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCC12CCOCC2	1329420548	UUHLLUFLMSPZEC-KRWDZBQOSA-N	374.481	2.454	10	10	FECE	
C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cc(O)c(O)c(O)c1	2132402043	WXEXOMBYTSHGOY-JQWIXIFHSA-N	366.414	2.321	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1	2132406707	JYFLJTBLESMUIX-GFCCVEGCSA-N	366.414	2.275	10	10	FECE	
NC(=O)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1Cl	1445232563	BCTZVMYRDRVIIV-OWNNVSBGSA-N	360.797	2.497	10	10	FECE	
CCOC(=O)[C@@]1(NC(=O)Cc2ccc(O)c(O)c2)CCc2ccccc21	1465238976	XLBNPTWCQYORFV-HXUWFJFHSA-N	355.390	2.161	10	10	FECE	
Cc1ccc(NC(=O)N2CCN(C(=O)c3cccc(O)c3O)CC2)cc1	1629079618	OOQURSPYBMYPMZ-UHFFFAOYSA-N	355.394	2.396	10	10	FECE	
CO[C@@](C)(CNC(=O)Cc1ccc(O)c(O)c1)COCc1ccccc1	1557429524	WTVFTKMZZADOLX-FQEVSTJZSA-N	359.422	2.378	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@@H]2CCOC2)n1CCCCCO	1554174734	BFDKMNYFGDYEOH-MRXNPFEDSA-N	360.458	2.287	10	10	FECE	
CCc1nnc(N(C)CCC(=O)NC)n1Cc1ccc(N(CC)CC)cc1	1498708954	XSHPJNNNCIMTES-UHFFFAOYSA-N	372.517	2.307	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N2CCO[C@H]([C@@H](C)O)C2)CCCC1	1637852404	QXQXGEBEOJJPQZ-VLIAUNLRSA-N	372.465	2.137	10	10	FECE	
CC[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@H](O)C(C)C	1565453216	VABLRRRJZYQJCO-IPMKNSEASA-N	364.534	2.450	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1C(=O)Nc2ccc(F)cc21	1633818223	FKXSQGWIMIAIAF-HZMBPMFUSA-N	358.369	2.410	10	10	FECE	
NS(=O)(=O)c1cccc(NCc2cc(Cl)ccc2O)c1[N+](=O)[O-]	1642904283	CRDVRGTWBHMXKY-UHFFFAOYSA-N	357.775	2.213	10	10	FECE	
CN1CC[C@@](O)(CNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C1	1655351416	VKEYFBKZVKATEP-LJQANCHMSA-N	355.394	2.304	10	10	FECE	
Cc1cnn(-c2cc(C(=O)NCc3cccc(O)c3O)c(N)cc2F)c1	1593744705	RFLKZVYFRXNIID-UHFFFAOYSA-N	356.357	2.243	10	10	FECE	
CCN(CC)c1ccc(Cn2c(C)nnc2N(C)CC(=O)NC(C)C)cc1	1695616559	HVYBLDBNEHTDPL-UHFFFAOYSA-N	372.517	2.442	10	10	FECE	
CN(C)[C@H](CNC(=O)c1cc(O)c(O)c(O)c1)c1ccc(Cl)cc1	1865875882	KUTGNXOOWMNOGC-CYBMUJFWSA-N	350.802	2.490	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4CNC[C@@H]4C3)ccc(N)c2C1	1876305103	XEQAQRAUFSKMIX-OKILXGFUSA-N	358.486	2.218	10	10	FECE	
CN(C(=O)OCc1ccccc1)C1CN(C(=O)c2cccc(O)c2O)C1	1982314253	OVXAGJVCYSTHPU-UHFFFAOYSA-N	356.378	2.191	10	10	FECE	
Nc1ccc(OCC(=O)N[C@H]2CC[C@@H]2NC(=O)OCc2ccccc2)cc1	1999146389	KFZVPMYTXJNCML-ROUUACIJSA-N	369.421	2.221	10	10	FECE	
Oc1c(Cl)cccc1CN=c1[nH]ccnc1I	2008697913	NRSVWAWLWHKQFK-UHFFFAOYSA-N	361.570	2.474	10	10	FECE	
CN1CCc2cc([C@H](N)c3cn(C)c(CNC(=O)OC(C)(C)C)n3)ccc21	2179603776	NVSHLPNVDXDAEL-SFHVURJKSA-N	371.485	2.485	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CC[C@](C)(C(N)=O)C3)ccc(N)c2C1	383331687	NMGLHFJQVWZMKI-FQEVSTJZSA-N	374.485	2.264	10	10	FECE	
COCCN(Cc1cc(N)ccc1O)C1CN(C(=O)OC(C)(C)C)C1	2044680813	IPWGWRAOURZNEP-UHFFFAOYSA-N	351.447	2.042	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2060615902	UIZHXPYWSLPXJZ-RWMBFGLXSA-N	353.423	2.048	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)[C@@H](CO)CNC(=O)OC(C)(C)C	2067732892	IAMIAZTZRPZCJL-QWHCGFSZSA-N	352.431	2.045	10	10	FECE	
CN[C@@H](CN(C)CCNC(=O)OC(C)(C)C)c1ccc2c(c1)CCN2C	2106860110	QMSPHBQBKKPDTK-KRWDZBQOSA-N	362.518	2.396	10	10	FECE	
C[C@@H](CN(C)C(=O)OC(C)(C)C)N(C)C[C@@H](O)COc1ccc(N)cc1	2111822605	NKZXYVWCVMUFJM-GOEBONIOSA-N	367.490	2.196	10	10	FECE	
Cc1ccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C(=O)NC2=S)cc1	2296926602	WLDGJAGCVLLUMW-UHFFFAOYSA-N	357.347	2.328	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N1CCN(C(=O)c2cccc(F)c2)CC1	2307990241	BSUNQFIWENHPBK-UHFFFAOYSA-N	370.380	2.235	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)NC1CCN(Cc2cccnc2)CC1	2312072755	XZJUBJWMMJAEKD-UHFFFAOYSA-N	353.422	2.287	10	10	FECE	
CCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(C)C1=O	6594550	YWMMSOKUNQWPAU-DHZHZOJOSA-N	360.464	2.266	10	10	FECE	
C[C@H](NCc1cccc(OCC(N)=O)c1)c1ccc(N2CCOCC2)cc1	128756920	YBCQHIJQFRDZLM-INIZCTEOSA-N	369.465	2.238	10	10	FECE	
CC(C)[C@H](O)CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	265866182	MYTQYVWZDSOYOC-HBUWYVDXSA-N	367.465	2.255	10	10	FECE	
CC1(C)SC[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	283675983	SUWIQIANCLCHGJ-MRXNPFEDSA-N	367.490	2.480	10	10	FECE	
C/C(=C/C(=O)NCc1cc(Br)ccc1O)CN1CCOCC1	908170294	MXSVIMAAIOJYSF-WQLSENKSSA-N	369.259	2.049	10	10	FECE	
CC[C@@H](O)[C@H](C)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	901286279	GTNLYIDEWALGCH-OXJNMPFZSA-N	359.514	2.242	10	10	FECE	
COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)Cc1cc(C)n(-c2ccccc2)c1C	832637952	AOLGVLSKXURABI-AZUAARDMSA-N	370.449	2.162	10	10	FECE	
Cc1ccc(CNCc2c(I)cnn2C)c(O)c1	877773951	DDDUVKXQYCJOBJ-UHFFFAOYSA-N	357.195	2.329	10	10	FECE	
CC[C@H](OCCNC(=O)C(=O)NCCc1ccc(N)cc1)c1ccccc1	846345501	YADQEFYYYLJCKT-IBGZPJMESA-N	369.465	2.212	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@@H](CO)c1ccccc1	749564522	NUQVEXQJFVEJPQ-IBGZPJMESA-N	369.465	2.099	10	10	FECE	
C[C@@H](NC(=O)NCC1CCC(O)CC1)c1ccc(N2CCOCC2)cc1	853486857	HUXPRODKPPJXGL-MDCZIUGASA-N	361.486	2.435	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@](O)(c4ccccc4)C3)cc2N1	858716423	NBPNQGMAIXWBJC-LJQANCHMSA-N	369.377	2.414	10	10	FECE	
Cc1cc(CC(=O)OCCN2C(=O)N[C@@H](C)C2=O)c(C)n1-c1ccccc1	853932961	VFHIODKQCMPRHW-AWEZNQCLSA-N	369.421	2.120	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCS(=O)(=O)[C@H](C)C1	859483916	PHFXYCMNVLRLOV-CQSZACIVSA-N	374.462	2.166	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3nc([C@H]4C[C@H]4C)no3)CC2)c(OC)c1	866128290	ZUQRFSGWLRHEOK-OCCSQVGLSA-N	372.425	2.173	10	10	FECE	
COc1cccc([C@@H](C)N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)c1O	866492190	KWMJHPZFODAOCJ-DAXOMENPSA-N	368.499	2.444	10	10	FECE	
COc1c(F)cccc1S(=O)(=O)N1CCOc2cc(N(C)C)ccc21	866898629	ICSLWKZTIGDNCV-UHFFFAOYSA-N	366.414	2.488	10	10	FECE	
CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)NCc1ccc(N(C)C)cc1	775447161	LHERMBWBMGHOHY-DLBZAZTESA-N	363.458	2.005	10	10	FECE	
Cc1nc(CN2CCC(C(=O)NCc3cccc(O)c3O)CC2)cs1	1123887354	AYUDXVCIYJODFW-UHFFFAOYSA-N	361.467	2.391	10	10	FECE	
COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1	891249693	SBLAXBPKRCATKG-LZLYRXPVSA-N	361.486	2.061	10	10	FECE	
C[C@@]1(NCc2cc(Cl)cc(Br)c2O)CCS(=O)(=O)C1	708138120	IAFFWNWCACVOBZ-GFCCVEGCSA-N	368.680	2.475	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCCN(CC(=O)N2CCC(N=[N+]=[N-])CC2)C1	2124505937	QSTLBRDIFHWCMD-AWEZNQCLSA-N	366.466	2.277	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CN(C(=O)OC(C)(C)C)C1	2124536044	ZEHREOHRBOWZNJ-MELADBBJSA-N	367.450	2.417	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H]2COC[C@@]2(C)C1	1333414127	NLWKJEZUKSRVPO-OXQOHEQNSA-N	360.454	2.016	10	10	FECE	
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCc1cccc(O)c1O	1349079206	MBCMFVREQBHMIW-KRWDZBQOSA-N	354.406	2.250	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCCNC(=O)Cc2cccc(F)c2)cc1	1443023454	WJJKGCKUWAZTKC-UHFFFAOYSA-N	371.372	2.077	10	10	FECE	
O=C(C[C@H](c1ccccc1)N1CCOC1=O)NCc1cccc(O)c1O	1521851174	HGUDCVANDVOXQX-OAHLLOKOSA-N	356.378	2.298	10	10	FECE	
Cc1nnc(N2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)s1	1560157347	WOSZYYFZEBCNGN-UHFFFAOYSA-N	359.499	2.005	10	10	FECE	
COCCO[C@@H]1CCN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)C1	1750058293	UOBSNJRSHVWRCA-LJQANCHMSA-N	373.501	2.251	10	10	FECE	
CN(C)c1ccc(CN[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2O)cc1	1997765275	GUVQJEQQVCOBTL-VQTJNVASSA-N	369.465	2.224	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NCc3ccc(O)c(O)c3O)[C@H]1C2	2038338946	DLWIQZPNBIVTRD-CYZMBNFOSA-N	350.415	2.291	10	10	FECE	
Nc1cc2c(cc1N1C[C@@H]3[C@H](CCN3Cc3ccccc3)C1)NC(=O)CO2	2188877939	KQCBKOPGNRJTTG-DNVCBOLYSA-N	364.449	2.310	10	10	FECE	
Cc1cccc(CNC[C@@H]2C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c1O	2052661527	WTFZOQAANHJBKT-IMJJTQAJSA-N	350.459	2.454	10	10	FECE	
CC(=CCNC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	2060097427	OGTCHOGQZYRYSK-UHFFFAOYSA-N	350.415	2.228	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)NCC1(CN=[N+]=[N-])CC1)[C@@H]1CCOC1	2060620769	FCHUCWRIPQZBTJ-NEPJUHHUSA-N	353.423	2.123	10	10	FECE	
C[C@H](F)CNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2080885317	CZRFBYIWCZGZKR-JQWIXIFHSA-N	356.394	2.008	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C(NC(=O)CCOc3ccc(N)cc3)[C@H]2C1	2106236966	ISJWVGJTUDPKMO-GJZGRUSLSA-N	361.442	2.019	10	10	FECE	
CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(C(=O)CCOc1ccc(N)cc1)C2	2106693912	FWWZSWVSFNVNAI-DJJJIMSYSA-N	361.442	2.163	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])C[C@H](O)C1(C)C	2225794345	FGKJTQKYPBJQLT-RHPZDQPFSA-N	367.450	2.388	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(CC(=O)Nc1ccc(N)cc1)C2	2272657567	PGXILZIRSYHYMM-BFUOFWGJSA-N	360.458	2.054	10	10	FECE	
O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1CCS(=O)(=O)O	2293034676	NUEKYIREMDLXIV-UHFFFAOYSA-N	363.869	2.429	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(C)(C)C	2315987322	QTILMWGHSMSTGU-NWDGAFQWSA-N	357.455	2.446	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CCF)C(=O)N1CCc2cc(O)c(O)cc2C1	2341195732	IVASQWSKJBNLHS-ZDUSSCGKSA-N	368.405	2.235	10	10	FECE	
Cc1ccc(-c2nn(CCC(=O)O)cc2/C=C2/SC(N)=NC2=O)cc1	6845924	ASDSRQQQBCVSCY-MDWZMJQESA-N	356.407	2.262	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCS(=O)(=O)C[C@@H]1C	172571843	OXCNVWXPSFPUPG-ZDUSSCGKSA-N	352.481	2.415	10	10	FECE	
CN(C)c1ccc(CNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccnc2)cc1F	74249648	AHBPGSSZPOMBRS-KXBFYZLASA-N	370.428	2.123	10	10	FECE	
COc1ccc(N2CCN(C(=O)/C=C/c3cncc(O)c3)CC2)cc1F	182091565	KDZMPUMKIASWDL-GORDUTHDSA-N	357.385	2.297	10	10	FECE	
C[C@@]1(NC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CCOC1	92451877	LJJRTPPJGXBMAQ-OAQYLSRUSA-N	372.513	2.197	10	10	FECE	
COc1cccc(CNC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)c1O	264291980	VAODBDFHHNINKY-HNNXBMFYSA-N	372.446	2.232	10	10	FECE	
CC(=O)C(=O)COC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1	808511340	BVLMQLSBBYMZKA-UHFFFAOYSA-N	351.443	2.333	10	10	FECE	
CCC[C@H](C)[C@@H](CO)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	823520128	UJZAFYXBMUJGPV-HNAYVOBHSA-N	363.502	2.244	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)NCc3ccnc(C)n3)C2)cc1	822653915	GAIHPZYHVQQLQG-OAHLLOKOSA-N	355.442	2.119	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@H]4C[C@H]43)cc2)CC1	832794103	JGWFNXAPLJFLFM-DFQSSKMNSA-N	355.482	2.408	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC[C@@H](N3CCCC3=O)C2)c([N+](=O)[O-])c1	732050505	CFEHAKTXCLWGFF-LOWQCSRCSA-N	373.409	2.372	10	10	FECE	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cnc(C2CC2)nc1	837714596	MEXOVUBQMQNCAL-UHFFFAOYSA-N	374.391	2.399	10	10	FECE	
N[C@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)(F)F	830656607	CGVSXCZGUJDNKP-JOYOIKCWSA-N	367.318	2.263	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCC[C@]2(C)C[C@]2(F)Cl)cc1	846721011	DIPCCVIRHYGNTC-IAGOWNOFSA-N	355.841	2.190	10	10	FECE	
CC(C)[C@@H](O)COC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O	849628039	JKFKNXUBRCVOLP-HNNXBMFYSA-N	353.374	2.218	10	10	FECE	
NCc1ccc2c(c1)CCCN2CC(=O)Nc1ccc2c(c1)OCCO2	843349571	DHAVOCSJKXQUEN-UHFFFAOYSA-N	353.422	2.308	10	10	FECE	
COc1cc(Br)cc([C@H](C)NC[C@H]2CCCNC2=O)c1O	848552361	LDJSFVQWVGKXSP-VHSXEESVSA-N	357.248	2.340	10	10	FECE	
O=C1NCCC2(CCN(C(=O)NCCCSc3nccs3)CC2)O1	921447949	YOYVHCZJVXJUMN-UHFFFAOYSA-N	370.500	2.299	10	10	FECE	
CC1(C)C[C@H](N)C[C@@H](NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1	925775810	AMUOCEQLTCWAPA-QZTJIDSGSA-N	358.530	2.384	10	10	FECE	
CCOc1cccc(CN2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1O	856534616	XDCJEWVIPMKEAP-DLBZAZTESA-N	355.438	2.141	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCN2C2CCOCC2)c1	927648465	LYKIQYSTQFZXLZ-DZGCQCFKSA-N	363.458	2.014	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CN)C3CCCCC3)C2)cc1	851664542	DVXCBKIHMYXTGY-QFBILLFUSA-N	360.502	2.481	10	10	FECE	
CCOc1ccc(NC(=O)C(=O)N[C@H](C)c2cc(OC)ccc2O)nc1C	850366413	ZJNXXVNDWCYFHK-LLVKDONJSA-N	373.409	2.319	10	10	FECE	
C[C@H]1C[C@H](c2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)CCO1	762286895	FBFWWGABNUUDFC-VHSXEESVSA-N	353.400	2.096	10	10	FECE	
COC[C@H](C)OC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	867045004	ZXYJWUOATXUGRX-INIZCTEOSA-N	361.486	2.480	10	10	FECE	
CN1CCN(c2ccc(CN3CCO[C@]4(CCSC4)C3)cc2F)CC1	1118268487	ZBSSBQYSYRGBAQ-LJQANCHMSA-N	365.518	2.285	10	10	FECE	
COC(=O)c1c(CN2CCC3(CC2)OCCO3)c2cc(F)ccc2n1C	893922079	ZBBBQVYTVWDRKV-UHFFFAOYSA-N	362.401	2.443	10	10	FECE	
Cc1cn2c(n1)CN(C(=O)N[C@@H](C)c1ccc(N3CCOCC3)cc1)CC2	782717530	UBOQYVZOTFQUJO-INIZCTEOSA-N	369.469	2.315	10	10	FECE	
COc1ccc(CNC[C@@H]2CN(C)CCN2Cc2ccccc2)c(O)c1	694758084	ACIKJSCPVLYGDC-LJQANCHMSA-N	355.482	2.307	10	10	FECE	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1	1084184890	BAFNHVPHWRIXQV-ZROIWOOFSA-N	355.281	2.400	10	10	FECE	
CN1CCCc2cc(CNC(=O)C(=O)NCC(C)(C)CC(F)F)ccc21	1332110230	VAJOXGWKZATEMS-UHFFFAOYSA-N	367.440	2.483	10	10	FECE	
O=C(CN1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1)c1ccc(O)c(O)c1	2132367545	JIORXVUGYIAQQV-MSOLQXFVSA-N	352.434	2.487	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(CC(F)F)n1C[C@@H]1CCOC1	1516113337	JDESAAKCXWZNLU-LBPRGKRZSA-N	352.385	2.464	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H]2CCCCN21	1299699633	VGPZGEITIRTKSX-DLBZAZTESA-N	360.454	2.301	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H]2CCCCN21	1299699635	VGPZGEITIRTKSX-IRXDYDNUSA-N	360.454	2.301	10	10	FECE	
COc1ccc(Cl)cc1[C@@H](O)CNC(=O)Cc1ccc(O)c(O)c1	1624035924	CEGSPADUHUVRHV-HNNXBMFYSA-N	351.786	2.152	10	10	FECE	
CO[C@@H]1CCN(c2nnc(C)n2Cc2ccc(N3CCSCC3)cc2)C1	1620129097	LZKWHDQKCIIKAH-GOSISDBHSA-N	373.526	2.413	10	10	FECE	
CN(CC(=O)NCc1ccco1)C(=O)c1cc2cc(O)c(O)cc2s1	1632681403	IRDLQNBWQTUUHN-UHFFFAOYSA-N	360.391	2.294	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)cs1)CCO2	1638005992	NECNDKCUDSKWQR-QGZVFWFLSA-N	368.455	2.306	10	10	FECE	
CC(C)n1ncc2cc(/C=C/C(=O)NCc3cc(O)ccc3O)c(=O)[nH]c21	1637122184	AKWRQTVCHARRNE-ZZXKWVIFSA-N	368.393	2.046	10	10	FECE	
COCc1nc(NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc(OC)n1	1640510321	AJRJDNBBBOVHJX-INIZCTEOSA-N	359.474	2.412	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1ccc(O)cn1	1596314613	AZQGPMOFXCHLMC-UHFFFAOYSA-N	366.465	2.249	10	10	FECE	
CN(C)CCNC(=O)c1cc([N+](=O)[O-])cc2c(N)c3ccccc3nc12	207105124	WYJPXOIYHVVTFV-UHFFFAOYSA-N	353.382	2.170	10	10	FECE	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Oc1ccc(OCC(N)=O)cc1	156668225	HTCWVTCRCGGZEV-UHFFFAOYSA-N	365.345	2.334	10	10	FECE	
COCCn1c(-c2cc(OC)ccn2)nnc1N(C)Cc1ccccc1O	1122376869	GIMKZGPQHXFFHO-UHFFFAOYSA-N	369.425	2.337	10	10	FECE	
CCCNCc1ccc(N2CC(S(C)(=O)=O)C2)cc1Br	2152287333	ZUMPTPXXUAFEKK-UHFFFAOYSA-N	361.305	2.182	10	10	FECE	
C[C@H](N)c1ccc(N2CCS(=O)(=O)[C@@H](C)[C@H]2C)c(Br)c1	2170277409	PLJYPANFTBKRBU-AXFHLTTASA-N	361.305	2.481	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CO1	2060613881	WMHVEZRGWQHEST-AGIUHOORSA-N	353.423	2.170	10	10	FECE	
CN1CCc2cc([C@H](CN)N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)ccc21	2194858693	DKRRKRLJWUGMRL-SFHVURJKSA-N	372.513	2.231	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)COc1ccc(N)cc1	2106227920	HFEKSKNSAMXSQO-KBPBESRZSA-N	363.458	2.267	10	10	FECE	
CCS(=O)(=O)CCN(C)c1ccc([C@@H](C)O)cc1Br	2114070497	RKPGUCMJZJPEMD-SNVBAGLBSA-N	350.278	2.373	10	10	FECE	
COc1ccc(Br)c(CN2C[C@H](N)[C@H](C(F)F)C2)c1O	2236047615	YDCQLDKZPJPPJV-SCZZXKLOSA-N	351.191	2.188	10	10	FECE	
C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@@H]1CCCN1C(=O)OC(C)(C)C	2271377462	FWPSVWPPIRVBGF-JQWIXIFHSA-N	366.414	2.321	10	10	FECE	
COCCN1C(=O)C(=Cc2cccc(OC)c2OC)C(C(=O)OC)=C1C	2296656413	HBNBYZKVCPLAPD-UHFFFAOYSA-N	361.394	2.023	10	10	FECE	
COC(=O)C=Cc1ccc(N2CCC[C@@H](CCC(N)=O)C2)c([N+](=O)[O-])c1	2297444040	ICXMDVQEMLHPBZ-AWEZNQCLSA-N	361.398	2.263	10	10	FECE	
COc1ccc2c(c1)N(C)C(=C1SC(=S)N(NC(C)=O)C1=O)S2	2297550450	WWXPNMMWQNFNST-UHFFFAOYSA-N	367.477	2.318	10	10	FECE	
CN(Cc1ccccc1O)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O	188328860	YBBIZLZAZYARGU-KRWDZBQOSA-N	371.412	2.474	10	10	FECE	
CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1	191870805	KOJBWZNAQJVPDE-CQSZACIVSA-N	374.397	2.338	10	10	FECE	
O[C@@H]1[C@@H](CNCc2ccc(N3CCOCC3)cc2)CCC12CCOCC2	374685517	DVBBPOQPVPAZKL-UYAOXDASSA-N	360.498	2.181	10	10	FECE	
COC[C@H]1CN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC(C)(C)O1	284879469	FGIXOYSTRJKWSC-MBNRZODZSA-N	374.481	2.189	10	10	FECE	
CN(Cc1ccc(Cl)nc1)C(=O)C(=O)NCc1ccc(N(C)C)cc1	283314677	BPFCSUPSLAVFJQ-UHFFFAOYSA-N	360.845	2.076	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H](O)C1CCC1	825294106	GXBZCLFPSIHQFK-MRXNPFEDSA-N	372.387	2.319	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N[C@H]3CCn4ccnc43)C2)cc1	823655619	PRBJNLQWSIASJY-YOEHRIQHSA-N	355.442	2.162	10	10	FECE	
C[C@@H]1CN(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C[C@@H](C)O1	917926902	RACGVSBLMHUEHB-HUUCEWRRSA-N	367.515	2.071	10	10	FECE	
COC(=O)c1ccnc(SCSc2ncc(C(=O)OC)s2)n1	917778790	UVJYPTJIUVWYKH-UHFFFAOYSA-N	357.438	2.348	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)NCC[C@@H]1C[C@H]2C=C[C@H]1C2	848934899	GTYDMXBOGMFARK-MELADBBJSA-N	365.524	2.460	10	10	FECE	
CCn1cc([N+](=O)[O-])c(C(=O)N(C)CCN(C)c2ccc(OC)cc2)n1	844856652	SKRPOJAXVLWCTG-UHFFFAOYSA-N	361.402	2.028	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3CCO[C@@H]([C@H](C)O)C3)c2C)cc1	840564911	HLENKSVBBAYEPR-HNAYVOBHSA-N	358.438	2.325	10	10	FECE	
CO[C@@H](CS(=O)(=O)Nc1ccc(O)cc1SC)C1CCOCC1	842588152	LECNZYNJAHYMBZ-AWEZNQCLSA-N	361.485	2.297	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)NCCO[C@H]3CC3(F)F)C2)cc1	852386356	CPKLWCGJKBDVQR-CJNGLKHVSA-N	369.412	2.245	10	10	FECE	
COC[C@@H](NC(=O)NCCCSc1nccs1)C1CCOCC1	853856051	PKUGGWNEPODZCZ-CYBMUJFWSA-N	359.517	2.366	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3ccc(Cl)cn3)C2)cc1	850538266	XMCHZJSXMFDBSI-CYBMUJFWSA-N	374.828	2.077	10	10	FECE	
CCCN1CC[C@@H](CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	852186037	APHVLJBBTJXBNV-IRXDYDNUSA-N	360.502	2.305	10	10	FECE	
C[C@@H]1CCn2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)nc2C1	864983961	BGVCZDKXATVFOF-OAHLLOKOSA-N	354.454	2.232	10	10	FECE	
CN(C)c1ccc(CNC(=O)NC[C@@H]2CC3(CCOCC3)CO2)cc1F	869033483	VPHYGVOHNRTLTJ-HNNXBMFYSA-N	365.449	2.277	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3CCCc4n[nH]cc43)CC2)c(OC)c1	870165371	WPRHARXCNRDESW-HNNXBMFYSA-N	370.453	2.196	10	10	FECE	
O=C(COc1cccc(N2CCCC2=O)c1)N1Cc2cccc(O)c2C1	871198613	KISQIXCAMHKQNC-UHFFFAOYSA-N	352.390	2.440	10	10	FECE	
CN(C)C(=O)O[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1	897878983	DFGRJHDJACRGOU-SNVBAGLBSA-N	350.396	2.225	10	10	FECE	
COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)N[C@@H](C)c3cc(OC)ccc3O)[C@@H]2C1	897719732	TWONOPNFLPCHEY-GNNBREFNSA-N	362.426	2.349	10	10	FECE	
O=C(CCc1nc(-c2ncccn2)no1)NCc1cc(Cl)ccc1O	1146233045	PSLUNZQPHVFBMG-UHFFFAOYSA-N	359.773	2.135	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccccc2-c2cc[nH]n2)c1	1143829240	QMFKNQKXXCIFMO-UHFFFAOYSA-N	372.406	2.406	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@]3(O)[C@@H](N)c1ccccc1O	1920058992	GJXDPKOQTWJXQQ-WUAUNBPWSA-N	360.454	2.398	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1CCCS1(=O)=O	1312694034	HPRNXTSLQHSJGE-QGZVFWFLSA-N	365.499	2.005	10	10	FECE	
C[C@H](NC(=O)N1C[C@@H]2CCC[C@H](C1)C2O)c1ccc(N2CCOCC2)cc1	1318557249	JRTROOQTTAKQMX-NDGNNOQLSA-N	373.497	2.387	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](O)(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)C1	2126933598	OQWVFQCIPRRUEN-DYVFJYSZSA-N	367.450	2.297	10	10	FECE	
CCn1ccnc1[C@@H]1CCCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1	1330473621	YMGMDCNEWFAZMP-INIZCTEOSA-N	368.437	2.205	10	10	FECE	
Oc1ccsc1-c1nnc(N2C[C@@H]3CC[C@H](C2)O3)n1C[C@@H]1CCOC1	1345678909	BDEPCYBXZGTUDO-RWMBFGLXSA-N	362.455	2.116	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1	2132412295	BVAVMQKNUFXSNY-CMPLNLGQSA-N	366.414	2.036	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)NCC(C)(C)C3CC3)C2)cc1	1351490798	QGZHENBILKXDMG-HNNXBMFYSA-N	373.497	2.190	10	10	FECE	
CC(C)(C)n1nnc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)n1	1515043178	MOBJCKXKDJXADC-UHFFFAOYSA-N	362.397	2.390	10	10	FECE	
Cn1cnc(/C=C/C(=O)N2CC(=O)Nc3ccc(Br)cc32)c1	1521110560	NQZRPQAOLLGRLT-HWKANZROSA-N	361.199	2.181	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC[C@H](c3cn(C)nn3)C2)c([N+](=O)[O-])c1	1613060005	BYOHNBHTXFRCCF-OWNNVSBGSA-N	371.397	2.294	10	10	FECE	
Cc1c(C(=O)NCc2c(O)cccc2O)sc2nc3n(c(=O)c12)CCC3	1635843370	OWHCTGIYWLKRJC-UHFFFAOYSA-N	371.418	2.054	10	10	FECE	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCO[C@H]([C@H]2CCCO2)C1	151594520	GMLAUTHNAYPSSX-CVEARBPZSA-N	355.394	2.270	10	10	FECE	
COC(=O)c1c(NC(=O)C[C@H](N)C(=O)O)sc(C)c1-c1ccccc1	1865999580	SFHAMVOLUFDFPQ-NSHDSACASA-N	362.407	2.251	10	10	FECE	
CCNCc1ccc(N2CCCS(=O)(=O)CC2)c(Br)c1	233521839	ZTMSIYUJYDRRSA-UHFFFAOYSA-N	361.305	2.184	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)N2CCCc3nnc(O)cc32)C1	2141158634	HIKDDOMFDHRGAQ-LBPRGKRZSA-N	360.414	2.075	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)NCCCCN=[N+]=[N-])=NO2)C1	1963732001	DVSBHTQYZMGTOS-MRXNPFEDSA-N	366.422	2.349	10	10	FECE	
C[C@@H](N)c1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)c(Br)c1	2151276216	RQQOOYLATXGBDR-UDZFHETQSA-N	359.289	2.092	10	10	FECE	
COc1ccc(O)c(CN[C@H]2COC[C@H]2CNC(=O)OC(C)(C)C)c1	2036600000	RKYWQNPEBQCOGC-HIFRSBDPSA-N	352.431	2.030	10	10	FECE	
C[C@@H]1Cc2cc(C=C3SC(N4CCC(C(N)=O)CC4)=NC3=O)ccc2O1	2053527896	NOKPLNUWQYKIPV-LLVKDONJSA-N	371.462	2.178	10	10	FECE	
OCCNC1CCN(Cc2cc(Cl)cc(Br)c2O)CC1	708124235	DWDRUBWBPJQOHA-UHFFFAOYSA-N	363.683	2.354	10	10	FECE	
C[C@@H](Nc1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)c1ccccc1O	2192621048	YQJWSHFRQDISIX-CYBMUJFWSA-N	366.421	2.056	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NCc1cc(F)cc(F)c1O	2058674289	YNPJRASZXOTLRJ-UONOGXRCSA-N	358.385	2.394	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)CCOC1	2060640524	WHEMQZULOQZPQY-MLGOLLRUSA-N	353.423	2.219	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@H]1CNC(=O)CCOc1ccc(N)cc1	2271980397	MJJHJJBICUNBJG-BBRMVZONSA-N	363.458	2.457	10	10	FECE	
CN(C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@H]1CCOC1	119121776	VUTBWEQUXIODCX-FQEVSTJZSA-N	372.513	2.149	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCO[C@H](CN(C)C)C2)cc1F	117048142	IWPCNJXCWCNEPD-MRXNPFEDSA-N	366.481	2.144	10	10	FECE	
CO[C@H](c1cccc(O)c1O)[C@@H](NC(=O)OCc1ccccc1)C(=O)O	1952308714	OLFXJRLJGWRLEL-GDBMZVCRSA-N	361.350	2.165	10	10	FECE	
COC(=O)Cc1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1	42626903	WTVOFQPCHJXGQJ-UHFFFAOYSA-N	363.420	2.208	10	10	FECE	
Cc1cc(C)n([C@@H](C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)n1	80864550	KFMICABBGSKKDF-HNNXBMFYSA-N	374.460	2.478	10	10	FECE	
C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(S(N)(=O)=O)cc1	91312998	WUYGZWFAGAPJJL-LBPRGKRZSA-N	351.447	2.390	10	10	FECE	
CC(=O)NCCCNC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	443950233	QOXYIXYWFGTARJ-UHFFFAOYSA-N	370.497	2.050	10	10	FECE	
C[C@H](NC(=O)N1[C@H]2CC[C@H]1[C@H](CO)C2)c1ccc(N2CCOCC2)cc1	812015411	PLBXZLGBJOOSDO-CBVHJVASSA-N	359.470	2.139	10	10	FECE	
COC(=O)c1conc1C(C)(C)NC(=O)NCc1ccc(N(C)C)cc1	818099720	JSYVLMLTXIZEEP-UHFFFAOYSA-N	360.414	2.262	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CC[C@@H](O)CC12CCC2	823519653	LPDUXUNTWHCTPP-LJQANCHMSA-N	373.497	2.237	10	10	FECE	
OC1(CNCc2ccc(N3CCOCC3)c(F)c2)Cc2ccccc2C1	738441108	UWRKDFLRSYTMAZ-UHFFFAOYSA-N	356.441	2.282	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NC[C@H]2CCCNC2=O)c1O	848552359	LDJSFVQWVGKXSP-NXEZZACHSA-N	357.248	2.340	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CNc2ccccc2C1	846342872	BNJWFUMKBIZNHW-KRWDZBQOSA-N	367.449	2.284	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCCC[C@@H]1[C@@H]1CCNC1	844223749	BLMLVHMEIRJTNG-UYAOXDASSA-N	358.530	2.175	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3ccccc3F)C2)cc1	850537718	XOTBYHPLDRCGAC-ZDUSSCGKSA-N	357.385	2.168	10	10	FECE	
COc1ccc(N(CC(=O)O)CC(=O)NCC[C@@]2(C)CC2(F)F)cc1	853011080	SFJOQAIJQTVWBP-INIZCTEOSA-N	356.369	2.138	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@@H](CCCN(C)C)C1	853749034	KVVWKYPHQSBXFQ-IBGZPJMESA-N	362.518	2.313	10	10	FECE	
C[C@H](N[C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Cl)cc1O	858489701	JZLAXAOWCAHWMF-AAEUAGOBSA-N	358.833	2.413	10	10	FECE	
Cc1cc(C(=O)CN2CCN3CCOC[C@@H]3C2)c(C)n1-c1ccccc1	755214235	XNAZSHNRZJBGJK-IBGZPJMESA-N	353.466	2.293	10	10	FECE	
CCOC(=O)[C@@H](Cc1ccccn1)NCc1ccc(N2CCOCC2)cc1	763477200	DYUAOGCCPMCVKP-HXUWFJFHSA-N	369.465	2.182	10	10	FECE	
O=C(CN1C[C@H]2CC[C@@H](C2)C1)NCc1ccc(N2CCOCC2)c(F)c1	761084796	AWMWXCXLFJTMDS-IRXDYDNUSA-N	361.461	2.010	10	10	FECE	
O=C1CO[C@]2(CCN(C(=O)c3cc(O)cs3)C2)CN1Cc1ccccc1	882579607	DLRBKVMSGMOOAT-IBGZPJMESA-N	372.446	2.097	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCc2ccccc2C1	775118572	FTKWYGBSQYYTDR-IBGZPJMESA-N	365.477	2.385	10	10	FECE	
CC(=O)c1cc(Cl)cc(Cn2cc(CN3CCCCC3=O)nn2)c1O	880999504	ORMOQGGIVTWTFO-UHFFFAOYSA-N	362.817	2.401	10	10	FECE	
Cc1cccnc1/C=C\C(=O)NCc1ccc(N2CCN(C)CC2)cc1	893606730	ACOFSCCAFUGLNS-KTKRTIGZSA-N	350.466	2.471	10	10	FECE	
CS(=O)(=O)N1CCCC[C@@H]1CNCc1c(O)ccc(Cl)c1F	796512080	CIVDCFNEGRNJTR-SNVBAGLBSA-N	350.843	2.088	10	10	FECE	
COC(=O)c1sccc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1	1263905476	AGCIJYYLDWYLBX-UHFFFAOYSA-N	373.478	2.217	10	10	FECE	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cn1c(O)nnc1O	1295595027	OOLVFAVTFWARTP-CYBMUJFWSA-N	368.393	2.185	10	10	FECE	
O=C(c1cnn2c(=O)cc[nH]c12)N(Cc1ccco1)Cc1ccccc1O	1465841003	NEOTXNDOAMJPSB-UHFFFAOYSA-N	364.361	2.164	10	10	FECE	
CN(C(=O)Cn1c2c(c3cc(F)ccc31)CCCC2)[C@@H]1CCC[C@H](O)[C@@H]1O	1615076953	SFZUDPPOOILBEB-SVFBPWRDSA-N	374.456	2.392	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)[C@@H](O)c3ccccc3OC)CC2)cc1	1623429621	JTWSTFFRGFZFGC-FQEVSTJZSA-N	370.449	2.476	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CC2)n1CC(=O)NCC1CC1	1729418582	FIJZWKDCNGCFFT-UHFFFAOYSA-N	355.442	2.024	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)NCc2c(O)cccc2O)C1	1635843237	JHESECHLYHUBRE-GOSISDBHSA-N	350.415	2.361	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)[C@@]3(CC(C)C)CCNC3=O)CC2)cc1	1632157943	JSENKSPPQHGTEX-OAQYLSRUSA-N	373.497	2.286	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCS(=O)(=O)[C@H]2CCC[C@H]21	1569094223	ZIQUXZYRUYTCJB-BMIGLBTASA-N	367.448	2.104	10	10	FECE	
NC(=O)c1ccc(CC(=O)NCc2cc(Cl)cc(Cl)c2O)cn1	1641996816	AZPOHXJCWDNESL-UHFFFAOYSA-N	354.193	2.052	10	10	FECE	
CS(C)(=O)=NCC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1	1644582403	GOUZCVONLCHYKI-UHFFFAOYSA-N	365.543	2.463	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H]2COC[C@@H]2N(C)C(=O)OC(C)(C)C)c1O	2139741934	QZGHTAKFHWIDTQ-CABCVRRESA-N	364.442	2.199	10	10	FECE	
C[C@@H]1CCC[C@]1(O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1676653280	JZTDMMUNXHCFJN-BPAFIMBUSA-N	362.518	2.206	10	10	FECE	
COC(=O)[C@H](C)N1C(=O)/C(=C\c2cc(OC)ccc2OC)SC1=S	6097183	HXPMDJWREVGHAM-ITTMYVLYSA-N	367.448	2.467	10	10	FECE	
C[C@H](NCc1cc(Br)ccc1O)[C@@H]1CCCS(=O)(=O)C1	2146102759	IFCHYMMEZSQXEX-WDEREUQCSA-N	362.289	2.458	10	10	FECE	
Nc1cc2c(cc1N1C[C@@H]3CN(Cc4ccccc4)C[C@H]3C1)NC(=O)CO2	705968950	SJCBOQSUKQKMPL-HOTGVXAUSA-N	364.449	2.168	10	10	FECE	
COc1ccc(O)c(CNCC2(CNC(=O)OC(C)(C)C)COC2)c1	2056739410	XBTQLQWHIVJMNZ-UHFFFAOYSA-N	352.431	2.032	10	10	FECE	
COC[C@](C)(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2060633745	RAMRQCRHTUPBGH-WBMJQRKESA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2060614773	HHDWQQXFZGTFIR-AGIUHOORSA-N	353.423	2.075	10	10	FECE	
Cc1ccc(O)c(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O)c1	2081029316	AKIUHXMTNHILJV-AWEZNQCLSA-N	350.415	2.207	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@](F)(CNC(=O)COc2ccc(N)cc2)C1	2108705541	OSVHZLUTQKPBIZ-KTXOBNNYSA-N	367.421	2.159	10	10	FECE	
Cc1nc(S(=O)(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])c(Br)n1C	2234175321	BFSLPENXVYPUNI-YUMQZZPRSA-N	363.241	2.001	10	10	FECE	
COC(=O)[C@@]1(C)CCCN1C(=O)C=Cc1ccc(N2CCOCC2)cc1	2310218286	WFFFZFUKDXPNHP-HXUWFJFHSA-N	358.438	2.091	10	10	FECE	
C[C@@H](N[C@@H]1COCC[C@@H]1NC(=O)OC(C)(C)C)c1ccc(O)cc1O	2308243351	GMLZMKVKJIURNA-BYCMXARLSA-N	352.431	2.431	10	10	FECE	
Oc1cc2c(cc1O)CN(c1ncc(I)cn1)CC2	2341191697	GDMRJVSAMDYOMI-UHFFFAOYSA-N	369.162	2.055	10	10	FECE	
C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1N1CCOCC1	175683532	KOEIUWWERLGCFF-FXAWDEMLSA-N	372.513	2.149	10	10	FECE	
CC1=NN2C(=N)/C(=C/c3ccc(N4CCOCC4)cc3)C(=O)N=C2S1	33869467	QWXSBQRIPDYDNG-QQIMZPRMSA-N	355.423	2.162	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2cnc3sc4c(n3c2=O)CCC4)cc1	35430369	BTAQLNBHRRJCKG-UHFFFAOYSA-N	368.462	2.241	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cn2ccnc2s1	190760078	PYFBPGUHGYCGPD-UHFFFAOYSA-N	360.414	2.302	10	10	FECE	
CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1O	190231969	JQPWYGUUXGWJDT-UHFFFAOYSA-N	373.428	2.121	10	10	FECE	
COC[C@H](C)N(C)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	193395411	QNAYLNHZVFFKKL-ZDUSSCGKSA-N	366.417	2.367	10	10	FECE	
CC[C@H](N[C@@H]1CCC(=O)N(C)C1=O)c1cc(Br)ccc1O	90025982	BHSWYUXZUBDHBX-NWDGAFQWSA-N	355.232	2.343	10	10	FECE	
CCOCc1nc([C@@H](C)NC(=O)NCc2ccc(N(C)C)c(F)c2)no1	291360812	UNQHLHZDXQJPKY-LLVKDONJSA-N	365.409	2.372	10	10	FECE	
CN1CCc2cc([C@H](N)c3c(CNC(=O)OC(C)(C)C)cnn3C)ccc21	2163145633	QZNKNKMJLHIGRM-KRWDZBQOSA-N	371.485	2.485	10	10	FECE	
C[C@]1(C[C@@H]2CCCN2Cc2cc(Cl)c(F)cc2O)NC(=O)NC1=O	294500771	BNGSIWHBLNFSOD-MGPLVRAMSA-N	355.797	2.137	10	10	FECE	
C[C@@H](Cn1cccn1)NC(=O)NCc1cc(Br)ccc1O	804951760	YFZSEFIMAYVUHC-JTQLQIEISA-N	353.220	2.239	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1	808513993	ROEJGEVRSAGEQX-ULQDDVLXSA-N	357.406	2.161	10	10	FECE	
C[C@H](N[C@@H]1CCC(=O)N(C)C1=O)c1cc(Br)c(F)cc1O	818360742	BTNFXTMWUFLTCX-WRWORJQWSA-N	359.195	2.092	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1c[nH]cc(Br)c1=O	588407600	IQLFDOMEQPUNJO-RQOWECAXSA-N	351.156	2.201	10	10	FECE	
COc1ccc(N2CCC(NS(=O)(=O)[C@H]3COC(C)(C)C3)CC2)cc1	858934643	VKKJTSNBOCRVAW-QGZVFWFLSA-N	368.499	2.151	10	10	FECE	
CCN(CC)[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	852454946	RMGOHSDUFQQJSP-FUHWJXTLSA-N	360.502	2.400	10	10	FECE	
CN(C)c1ccncc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1	856211921	CLIFBNVKEXQPEG-UHFFFAOYSA-N	354.454	2.039	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3ccc(OC)c(O)c3)C2)cc1	852455757	VRCCEQFKQHOKNW-OAHLLOKOSA-N	371.437	2.488	10	10	FECE	
CS(=O)(=O)CC[C@@H](C(=O)NCc1c(O)cccc1F)c1ccccc1	928707372	DAPHNWPLFUYVPN-CQSZACIVSA-N	365.426	2.366	10	10	FECE	
CC(C)C(=O)N1CCC(C(=O)NCc2ccc3cccnc3c2O)CC1	862028943	PVTOFACPZPSTIF-UHFFFAOYSA-N	355.438	2.451	10	10	FECE	
Cc1nccc(N2CCN(C(=O)NCc3ccc(N(C)C)cc3C)CC2)n1	760116514	AFKSRACMAJLVJZ-UHFFFAOYSA-N	368.485	2.191	10	10	FECE	
C[C@@]1(CCNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1(F)F	1118659441	GOPMITADDXQVPG-GOSISDBHSA-N	365.424	2.455	10	10	FECE	
CC[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCCOC1	872036061	RSEXSTIAYHGYBP-PKOBYXMFSA-N	366.527	2.216	10	10	FECE	
CC(C)COC(=O)N1CCC(C(=O)NCc2cccc(O)c2O)CC1	1123890520	ZCYKCNCHTPFPNF-UHFFFAOYSA-N	350.415	2.219	10	10	FECE	
COc1cc(C)cc(CN[C@H](C(=O)OCc2ccccc2)[C@H](C)O)c1O	894854581	HFDLRYNEQSFJNR-KSSFIOAISA-N	359.422	2.292	10	10	FECE	
CCOC(=O)[C@@H](C[C@H]1CCCO1)NCc1ccc(N2CCOCC2)cc1	895866217	WZOFQPZVXLURNE-RTBURBONSA-N	362.470	2.114	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NC1CN(C(=O)OCc2ccccc2)C1	1142062328	HGQDFECITHQHRU-CLFYSBASSA-N	368.389	2.248	10	10	FECE	
Cc1nc[nH]c1CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	1150348286	OKSRZCJQOCYAKC-HNNXBMFYSA-N	362.861	2.400	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3ccc(O)c(O)c3)CC[C@H]2C1	2118175827	LVUFWUAFMSFMAE-MJBXVCDLSA-N	362.426	2.473	10	10	FECE	
Cc1cccc([C@@H]2CCCN2C(=O)C(=O)N2Cc3cccc(O)c3C2)n1	1329796091	AMYCFDKXVVAPDF-KRWDZBQOSA-N	351.406	2.302	10	10	FECE	
CN1CCN(c2ccc(CN3CC[C@@](O)(C(F)(F)F)C3)cc2F)CC1	1339076030	AJNGOHYVCOQQJE-INIZCTEOSA-N	361.383	2.077	10	10	FECE	
CCCSC[C@@H](NC(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]1C[C@H](N)C1	1906905961	IWISEHLLMLFPQO-JHJVBQTASA-N	358.504	2.289	10	10	FECE	
Cc1cccc2ncc(C(=O)NCc3ccc(N4CCOCC4)cc3)n12	1542300686	JQIISKUOALNLKP-UHFFFAOYSA-N	350.422	2.409	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cccc2c[nH]nc12	1557113286	DJUNGSGWWPMUBR-UHFFFAOYSA-N	353.378	2.474	10	10	FECE	
COc1ccc(OC)c([C@H](O)CNC(=O)c2ccc(N=NC(N)=O)cc2)c1	1631306958	QTLHKMSEBMSQIO-OAHLLOKOSA-N	372.381	2.330	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N=c2ccn(C)c(O)n2)c1	1639576987	HNNBFFPSQPYVBK-UHFFFAOYSA-N	350.378	2.087	10	10	FECE	
COC(=O)/C=C\c1ccc(N(C)C[C@H](O)c2cccnc2)c([N+](=O)[O-])c1	1655832649	NRCWBKFZHGZRMX-QLBOMPFWSA-N	357.366	2.346	10	10	FECE	
O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCCN1CCNC1=O	1655859214	MLCLLCFCBYPFQQ-UHFFFAOYSA-N	354.366	2.263	10	10	FECE	
O=C(NCc1cccc(O)c1O)c1ccc(S(=O)(=O)C(F)F)cc1	1593739323	KGGGYPMVVGAIIU-UHFFFAOYSA-N	357.334	2.024	10	10	FECE	
CO[C@@H](CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@@H]1CCOC1	1674312154	PGAMGNCBOBXJAQ-MJGOQNOKSA-N	361.486	2.480	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCc2ncnn2C1	160944874	BNGWBXFMMODGRX-QGZVFWFLSA-N	368.485	2.425	10	10	FECE	
c1cnc(N2CCN(/N=N/c3ccc(N4CCOCC4)cc3)CC2)nc1	1860487887	SGRYJGDKFLWVDM-QURGRASLSA-N	353.430	2.134	10	10	FECE	
CN(C)c1ccc([C@H](CN)N2C[C@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)cc1	1881241154	MNPGRAVXTBMSMF-OXFYSEKESA-N	360.502	2.351	10	10	FECE	
COc1cccc(CNC[C@@]23C[C@@H](CO2)N(C(=O)OC(C)(C)C)C3)c1O	1967734789	SWOBMMOOQAKRCZ-IFXJQAMLSA-N	364.442	2.269	10	10	FECE	
CN(CCN(C)C(=O)OCc1ccccc1)C(=O)COc1ccc(N)cc1	2005034093	SERPTDJGTOPGRW-UHFFFAOYSA-N	371.437	2.375	10	10	FECE	
CN[C@@H](C)c1ccc(N2CCS(=O)(=O)C[C@H]2C)cc1Br	300517289	PQOJBGXZRNDCRO-MNOVXSKESA-N	361.305	2.353	10	10	FECE	
CS(=O)(=O)c1cnn(Cc2cc(Cl)ccc2O)c1Br	2070222755	ZQYOOCOFJZVXTD-UHFFFAOYSA-N	365.636	2.456	10	10	FECE	
CC(C)(C)OC(=O)NCCc1nc(C(=O)C(=O)C[C@H]2C[C@H](N)C2)cs1	2049783148	RRFDHBABPDDJED-XYPYZODXSA-N	367.471	2.090	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O	2060456164	WIESFADWFPLITL-YWPYICTPSA-N	352.431	2.186	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@H](CNC(=O)OC(C)(C)C)[C@@H]1CCOC1	2060613577	STMUSPZWGXIJHH-OLZOCXBDSA-N	355.439	2.323	10	10	FECE	
Cc1cccc(CNC2(CC(=O)O)CN(C(=O)OC(C)(C)C)C2)c1O	2084061771	YXFSIQOGIUKURK-UHFFFAOYSA-N	350.415	2.254	10	10	FECE	
CC(C)(C)OC(=O)NC1(C2CN(CC(=O)Nc3ccc(N)cc3)C2)CC1	2106769271	WBLWRCCCXULTEP-UHFFFAOYSA-N	360.458	2.196	10	10	FECE	
CC(C)(C)OC(=O)NCCO[C@@H]1CCN(CCOc2ccc(N)cc2)C1	2112692705	ISVQBNAQWHKHDQ-QGZVFWFLSA-N	365.474	2.263	10	10	FECE	
COc1ccc(OC)c(N2C(=O)C(=CN3CCOCC3)SC2=S)c1	2313609148	FBBQRYVMUDCCHD-UHFFFAOYSA-N	366.464	2.242	10	10	FECE	
C[C@@H](Oc1cccc(C=C2SC(=S)N(CCCO)C2=O)c1)C(=O)O	2314930133	XXSTYTNFTOSMOD-SNVBAGLBSA-N	367.448	2.122	10	10	FECE	
Cc1cccc(N2C(=O)NC(=O)/C(=C\Nc3ccccc3[N+](=O)[O-])C2=O)c1	101346777	DOFCRVBDLZRCHR-JLHYYAGUSA-N	366.333	2.482	10	10	FECE	
CCN1CC[C@H](N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C)C1	125766048	IKVJVEYFSFJJRL-XLIONFOSSA-N	360.546	2.373	10	10	FECE	
O=C(NCc1ccco1)[C@@H]1CCCN1Cc1ccc(N2CCOCC2)cc1	128185540	HVTTUWQNUVXEDS-FQEVSTJZSA-N	369.465	2.397	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc(-c2cnn(C)c2)s1	183478957	PPGQTLHJOGFWTL-SNVBAGLBSA-N	358.423	2.316	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)C(F)(F)C1(O)CCC1	804735795	FQDOXXHMNMYCAC-UHFFFAOYSA-N	350.159	2.321	10	10	FECE	
C[C@@H]1Oc2c(cccc2C(=O)Nc2cccc(N3CCOCC3)c2)NC1=O	729328548	RJJWAQPSVCUMOH-ZDUSSCGKSA-N	367.405	2.495	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)N[C@H](C)CCC3CC3)C2)cc1	829181441	FFWRIRNTMAWFOB-ZBFHGGJFSA-N	359.470	2.085	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2nnc(-c3cscn3)o2)cc1	902696448	KMPISCFRGVHSOY-UHFFFAOYSA-N	373.438	2.410	10	10	FECE	
CN1CCN(C)CC(C(=O)N(Cc2ccco2)Cc2ccccc2O)C1	906991626	JLBJSNLREJLKFN-UHFFFAOYSA-N	357.454	2.007	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(OCCN2CCCC2)CC1	588406844	VVMMGORFUYPMEA-XQRVVYSFSA-N	360.454	2.214	10	10	FECE	
CN(C)c1ccc(/C=C/CNC[C@@H]2CCCCN2S(C)(=O)=O)cc1	835052829	HWNRFORQZZHOOI-DKFQHHCZSA-N	351.516	2.170	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cnc(C4CC4)nc3O)C2)cc1	912291958	FXOUYWPMACHSIS-ZDUSSCGKSA-N	354.410	2.077	10	10	FECE	
CCC(F)(F)CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	858801140	AIQMILGWKPTLEH-AWEZNQCLSA-N	368.428	2.233	10	10	FECE	
COc1ccc([C@@H](NCc2cc([N+](=O)[O-])ccc2O)C(=O)O)cc1F	756359643	CZROMJQTPLALRS-OAHLLOKOSA-N	350.302	2.364	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@H]3C[C@H](C)n4ncnc43)CC2)cc1	852477642	VBGCLSFDQWUPJH-YOEHRIQHSA-N	370.457	2.214	10	10	FECE	
Cc1cc(CNc2ccc(C(=O)NCCO)nn2)c(C)n1-c1ccccc1	858802853	PRGYPCMAUODEST-UHFFFAOYSA-N	365.437	2.218	10	10	FECE	
COC(=O)C[C@H]1COCCN1C(=O)Cc1cc(C)n(-c2ccccc2)c1C	854473472	OZGHCHSFBJJGAJ-IBGZPJMESA-N	370.449	2.427	10	10	FECE	
O=C(NCC1COC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	858914778	AGIDDPGOHCIKSH-ZDUSSCGKSA-N	355.385	2.202	10	10	FECE	
COc1cc(NS(=O)(=O)c2cc(F)cc(F)c2O)ccc1NC(C)=O	753022450	WPAVOBZCCLMENB-UHFFFAOYSA-N	372.349	2.438	10	10	FECE	
CCCCCS(=O)(=O)CC(=O)NCc1ccc2cccnc2c1O	862028000	MRQGGNGIISNUPN-UHFFFAOYSA-N	350.440	2.162	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)NC[C@@H](O)[C@@H]3CCCO3)c2C)cc1	862652305	WVEFQNSJCOXADW-MOPGFXCFSA-N	358.438	2.372	10	10	FECE	
CC(C)(C)OC(=O)NCC1(NC(=O)c2cc(O)cs2)CCOCC1	863019795	QYCCFVHNGGGJAY-UHFFFAOYSA-N	356.444	2.257	10	10	FECE	
COCCN(c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-])C1CCOCC1	866264823	UCJKYNJKPJJQOV-GQCTYLIASA-N	364.398	2.413	10	10	FECE	
C[C@H](O)[C@H](O)CNCc1ccc(N2CCCCC2)c(Br)c1	865739650	YMAWQAHHSBBPMR-BLLLJJGKSA-N	357.292	2.271	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC[C@@]12CCCC[C@H]1C2	1119818301	WANSHBFVJISALG-UWJYYQICSA-N	353.466	2.376	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CNC(=O)c1ccccc1Cl	1138152866	RNNDJQBRRDYNSE-LLVKDONJSA-N	362.813	2.228	10	10	FECE	
CC(C)(NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(F)F	792045361	SHSFKFYRMDPWLX-CYBMUJFWSA-N	368.428	2.231	10	10	FECE	
CN(C)C(=O)NCCNCc1cc(Cl)cc(Br)c1O	708110744	GFEPWRBKXROKIL-UHFFFAOYSA-N	350.644	2.169	10	10	FECE	
O=C(NCc1cccc(O)c1O)[C@H]1Cc2cc(Br)ccc2O1	1176566248	SFWIRDSBXKFWLJ-CQSZACIVSA-N	364.195	2.480	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COCC[C@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2124531012	AKDAGBLEDUTHNZ-KGLIPLIRSA-N	367.450	2.465	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CSc2ccccc2O1	1329367703	CMBCVFVHPMQHDM-CQSZACIVSA-N	372.446	2.020	10	10	FECE	
C[C@@]1(c2cccc(CNCc3c(O)cccc3Cl)c2)NC(=O)NC1=O	1251830773	OWLJABSTOIFEKC-SFHVURJKSA-N	359.813	2.390	10	10	FECE	
CCOC(=O)C[C@H](O)CN(CC)Cc1cc(Br)ccc1O	1334971812	INMPHBYNTPQGOI-ZDUSSCGKSA-N	360.248	2.291	10	10	FECE	
CCOc1cccc(CNCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1O	1254177021	FWDIJARJFHKYMH-HXUWFJFHSA-N	369.421	2.135	10	10	FECE	
CCn1cc(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nn1	1264610938	QWJZUPGLTWHBHV-UHFFFAOYSA-N	360.373	2.255	10	10	FECE	
C/C(=C/c1cccnc1)C(=O)N(C)c1ccc(S(=O)(=O)N(C)C)cc1	1436069018	WWKFXIHGURBXCP-OWBHPGMISA-N	359.451	2.398	10	10	FECE	
COc1ccc(N2CCCN(c3nnc(C)n3CC3(C)COC3)CC2)cc1	1518310092	UTQCNJHACSAPAH-UHFFFAOYSA-N	371.485	2.348	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CCC2)n1C[C@@H]1COCCO1	1298364037	SDOLKDCUFYMBRT-MRXNPFEDSA-N	358.442	2.303	10	10	FECE	
C[C@@H](c1cc(O)ccc1O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1	2136335379	IPCRDWACGQLFJB-VOJFVSQTSA-N	366.414	2.213	10	10	FECE	
CN(CCc1ccc2c(c1)OCO2)CC(=O)NCc1ccc(N(C)C)cc1	1460792170	SDBONCZCKAMZDU-UHFFFAOYSA-N	369.465	2.272	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)[C@]2(CC(C)C)CCNC2=O)cc1	1538161727	ZYNUHIIMPGTROU-FQEVSTJZSA-N	361.486	2.142	10	10	FECE	
C[C@@H](NC(=O)/C=C/[C@H]1COC(C)(C)O1)c1ccc(N2CCOCC2)cc1	1542402970	FHXDEEKRFDFSCV-LZMCZGSNSA-N	360.454	2.408	10	10	FECE	
CNC(=O)CCN(C)c1nnc(C(C)C)n1Cc1ccc(N(C)C)cc1C	1618755805	MKYLHSXQGBXEFK-UHFFFAOYSA-N	372.517	2.397	10	10	FECE	
C[C@H](NC(=O)c1cc2n(n1)CCC[C@@H]2O)c1ccc(N2CCOCC2)cc1	1626977915	FVQGYYUYLMBLBY-LIRRHRJNSA-N	370.453	2.038	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)c1cnn2c(-c3cccnc3)ccnc12	1635958889	CARGFFOJKUGMQF-UHFFFAOYSA-N	361.361	2.133	10	10	FECE	
CCN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCN(c2ccccc2)C1=O	1565647688	GDRKQKGULQJAIA-MRXNPFEDSA-N	354.406	2.294	10	10	FECE	
COc1ccc(N2CCN(c3nnc(C)n3C[C@H](C)OC)CC2)cc1F	1770258840	RBDQERDZSCTDLQ-ZDUSSCGKSA-N	363.437	2.096	10	10	FECE	
Cc1ccc([C@@H]2CN(CC(=O)NCc3ccc(N(C)C)cc3)CCO2)o1	159001528	YTMDKMILKKOITM-IBGZPJMESA-N	357.454	2.344	10	10	FECE	
O=C(c1ccc(O)c(O)c1)N1CCCN(Cc2ccccc2)CCOCC1	2144878480	JTNVBSAINWPIIP-UHFFFAOYSA-N	370.449	2.463	10	10	FECE	
CNCc1ccc(N(C)[C@@H](C)CCS(C)(=O)=O)cc1Br	2160769324	ZYOMHMXAJHFLEI-NSHDSACASA-N	363.321	2.428	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N(C)CCCNC(=O)OC(C)(C)C	2044595661	ZCTSQNCCFRRRRE-ZDUSSCGKSA-N	350.463	2.442	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNCc2cccc(F)c2O)C[C@H]1O	2052656371	HNHIHXGWEJICHN-NILFDRSVSA-N	354.422	2.285	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)C1	2060618016	UQUMULGHQQCYOF-HSMVNMDESA-N	353.423	2.360	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)N(C)CCCN=[N+]=[N-]	2060635057	HIPIBEWOKLAEDP-QWHCGFSZSA-N	355.439	2.417	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2060634432	ZQDBOQSFLFSHOE-HSMVNMDESA-N	353.423	2.075	10	10	FECE	
CO[C@@H](C(=O)N1CCC(N=[N+]=[N-])CC1)C1CN(C(=O)OC(C)(C)C)C1	2060633783	RMTUQFALFYHUBL-CYBMUJFWSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@]2(CNCc3ccc(F)cc3O)C[C@H]1CO2	2084177642	ULFLVPWWIXUNHY-KSSFIOAISA-N	352.406	2.399	10	10	FECE	
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(OC)c3)C2=O)cc1	2296732948	FEJWJIBSRLSJBZ-UHFFFAOYSA-N	368.345	2.076	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)Nc1n[nH]c(C(F)(F)F)n1	2297505909	TXIMRUPWZZVMAI-UHFFFAOYSA-N	367.331	2.312	10	10	FECE	
CN1CC[C@H]2[C@H](CCCN2C(=O)C=Cc2ccc(N3CCOCC3)cc2)C1	2301553467	SYFRBVSCXOUCRD-CTNGQTDRSA-N	369.509	2.479	10	10	FECE	
O=C1N=C(O)/C(=C/NCCCn2ccnc2)C(=O)N1Cc1ccc(F)cc1	102520445	SVIXFUNJZQCCNZ-GDNBJRDFSA-N	371.372	2.005	10	10	FECE	
CN1C[C@H](c2cc(Br)cc(Br)c2O)NCC1=O	1951871163	IEJDZLLDQPRPAA-SECBINFHSA-N	364.037	2.020	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1	211001855	QLDRRUFIMOGVEJ-FBQMEGEOSA-N	356.470	2.076	10	10	FECE	
CN(C)c1ccc(CNC(=O)Nc2cnn(-c3ncccn3)c2)cc1F	72563151	YCYDKBFHXRUNOI-UHFFFAOYSA-N	355.377	2.189	10	10	FECE	
Cc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cnn1	276068027	LLZCXIFQCXQKST-ZIAGYGMSSA-N	358.417	2.468	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)CC(=O)OCc1ccccc1	380120967	QVBGJRQCHSFKII-IBGZPJMESA-N	369.465	2.172	10	10	FECE	
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1cc(Br)ccc1O	805035763	PMULHWYJSZOCEP-ZJUUUORDSA-N	372.263	2.257	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CC[C@H]([C@H](O)C(F)(F)F)C2)c1O	825124682	WAFBPIBWTWOIIQ-ZANVPECISA-N	350.293	2.054	10	10	FECE	
CC(C)CN(CCC(=O)O)C(=O)/C=C\c1ccc(N2CCOCC2)cc1	588592248	MGZFAMWBFBWDRA-YVMONPNESA-N	360.454	2.496	10	10	FECE	
C[C@@H]1[C@H](NC(=O)c2c(F)ccc(O)c2O)CC(=O)N1Cc1ccccc1	831210311	GYERSQSBCSPKEI-BXUZGUMPSA-N	358.369	2.156	10	10	FECE	
CN(C)c1ccc(CNC(=O)NCc2nn(C)cc2Br)cc1	836232280	QUHMSEKMRWJUEU-UHFFFAOYSA-N	366.263	2.248	10	10	FECE	
Cc1ncc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)c(C2CC2)n1	839473701	GLHYZVLORDUUMW-UHFFFAOYSA-N	371.416	2.122	10	10	FECE	
CC(C)[C@H](N)CNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	841868917	JHVPSOJFDSNSDJ-HXUWFJFHSA-N	373.545	2.001	10	10	FECE	
CN(C)c1ccc(CNC[C@@]2(OCCO)CCOC2)c(C(F)(F)F)c1	850358810	XBGGFRUYFZLBPC-INIZCTEOSA-N	362.392	2.029	10	10	FECE	
Cc1cc(CNC(=O)N2C[C@H]3C(=O)OC[C@H]3C2)c(C)n1-c1ccccc1	858906820	RASFFRVHDPYLDI-SJLPKXTDSA-N	353.422	2.409	10	10	FECE	
C[C@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCNC3=O)cc2Cl)C1	852309087	WGDKWHJAIQYVAQ-WFASDCNBSA-N	364.877	2.264	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCCN3C(=O)C(C)(C)C)C2)cc1	855233286	WVBJGFINXCMDOR-QAPCUYQASA-N	373.497	2.427	10	10	FECE	
COc1cc(F)c(S(=O)(=O)N2Cc3cccc(O)c3C2)cc1OC	867688932	HPCWGFFXCNYOBT-UHFFFAOYSA-N	353.371	2.253	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1	1136654435	IMAIPMNAFGBYHR-UHFFFAOYSA-N	361.308	2.496	10	10	FECE	
CCn1cc([C@@H]2C[S@](=O)CCN2Cc2cc(C)cc(OC)c2O)cn1	792714347	BFJWKILTOPZXOZ-IVCQMTBJSA-N	363.483	2.231	10	10	FECE	
COc1cccc(-c2nc(C(=O)NCc3ccc(OC)cc3O)no2)c1	794379355	MMAQJIMWQROIFJ-UHFFFAOYSA-N	355.350	2.389	10	10	FECE	
Cn1ccnc1CN1CCC[C@H](NCc2c(O)ccc(Cl)c2F)C1=O	790986186	IMMATBBSALLQTR-ZDUSSCGKSA-N	366.824	2.199	10	10	FECE	
COc1ccc(CNc2cc(Br)cnc2C(N)=O)c(O)c1	795285589	SCYYXDDJWDIWCW-UHFFFAOYSA-N	352.188	2.269	10	10	FECE	
Cc1ccc(S(=O)(=O)NCc2cc(Br)ccc2O)cn1	796191642	YUKPNAAUCQNBRW-UHFFFAOYSA-N	357.229	2.337	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCCN(C(=O)c2ccccc2)C1	1142834667	BJZOYYTYUHJGCP-MRXNPFEDSA-N	354.406	2.061	10	10	FECE	
Cc1ccc(C(=O)N[C@@H]2C(=O)NCC2(C)C)cc1-n1c(C)cc(C=O)c1C	1148149801	AKQCIQMPMSJMCS-GOSISDBHSA-N	367.449	2.469	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2124539567	XEWHYBCPECKCPY-HZSPNIEDSA-N	367.450	2.296	10	10	FECE	
COC(=O)[C@@H]1C[C@H](O)CN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1	1329340485	WAULCEOPYIXIRH-MJGOQNOKSA-N	370.449	2.019	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)NCCc1ccc(O)c(O)c1)C(C)(C)F	2124337739	YDCKOJGMSFUZFW-CQSZACIVSA-N	370.421	2.398	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC1(C)CC(F)(F)C1	1332266545	SCUWVHDXYTYOPY-UHFFFAOYSA-N	353.413	2.263	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)COCc1ocnc1C(=O)OC	1335129602	VOHLWQPHNAJYFP-UHFFFAOYSA-N	362.382	2.122	10	10	FECE	
CCOC(=O)N1CSC[C@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	1269587976	MXKKEVVSGAPUCE-DOMZBBRYSA-N	351.472	2.461	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCc1nc(C(C)(C)C)co1	1262256503	NYWLUMSCEWAILN-UHFFFAOYSA-N	372.469	2.279	10	10	FECE	
COC(=O)[C@@H]1O[C@@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)C[C@H]1C	1351178708	SZSCUSLYGHTSDZ-ZTFGCOKTSA-N	360.454	2.212	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)cc1	1441956317	JPNLWXLXVZCQFB-JTQLQIEISA-N	357.336	2.463	10	10	FECE	
C[C@@H]1OCC[C@]1(O)Cn1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C	1291325098	DXDYTUUSDTXGKQ-XOBRGWDASA-N	374.485	2.458	10	10	FECE	
CC(C)[C@H](C(=O)NCc1c(O)cccc1O)n1nnc(-c2ccccc2)n1	1472063701	NTDACKQGGYCDSY-QGZVFWFLSA-N	367.409	2.265	10	10	FECE	
CN(CCC(=O)NCc1cc(O)ccc1O)C(=O)OCc1ccccc1	1644754262	UDKSFSUGXJBBSA-UHFFFAOYSA-N	358.394	2.373	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1	1645363015	JGLDKBCKFPJQFJ-GFCCVEGCSA-N	358.369	2.296	10	10	FECE	
C[C@@H]1OCC[C@]1(O)Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O	1743382445	GKHWNPIVQBLYLQ-DJJJIMSYSA-N	358.442	2.037	10	10	FECE	
Cc1noc(C)c1CN1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1	1595875577	ZCVOXTNVDTVXKJ-UHFFFAOYSA-N	370.413	2.412	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1CCN1CCOCC1(C)C	1694637550	RFAXCWZXWGNSDD-UHFFFAOYSA-N	373.501	2.293	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)N3CC[C@H](CN=[N+]=[N-])C3)O2)C1	2140444940	LTBQJTNSDVQSRH-OLZOCXBDSA-N	365.434	2.314	10	10	FECE	
C[C@H]1CN(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)C[C@@H](C)O1	161756624	VUPWLZZHDSTBRW-GASCZTMLSA-N	368.499	2.491	10	10	FECE	
O=C(CNc1ncccn1)Nc1cccc2c1C(=O)c1ccccc1C2=O	1874179850	RYUDTGPWFQPUFB-UHFFFAOYSA-N	358.357	2.303	10	10	FECE	
C[C@@H](NC(=O)[C@@]1(CO)CCCN1C(=O)OC(C)(C)C)c1ccccc1O	1877573446	KXCXSZVMGZSSDE-YJYMSZOUSA-N	364.442	2.331	10	10	FECE	
COc1ccc(CN2CCc3nnc(N4CCCC4)cc3C2)c(O)c1OC	895488487	HVSMBAZLYMPHIB-UHFFFAOYSA-N	370.453	2.358	10	10	FECE	
C[C@@H](C[S@@](C)(=O)=NCc1cc(N)ccc1O)NC(=O)OC(C)(C)C	1999485800	WFKOKVUPJLVDOD-APXPCNQMSA-N	357.476	2.485	10	10	FECE	
C[C@H]1N[C@H](c2cc(Br)cc(Br)c2O)NC1=O	309770844	KKGPKBNLZIXCCY-MOFOKWOHSA-N	350.010	2.024	10	10	FECE	
CS(=O)(=O)CC1CCN(c2ccc(CN)cc2Br)CC1	312939625	GDMGUPBSPBMMRE-UHFFFAOYSA-N	361.305	2.169	10	10	FECE	
CCOc1cccc(CNC[C@](C)(CO)NC(=O)OC(C)(C)C)c1O	2060805423	DGGFVFRCAYAURL-GOSISDBHSA-N	354.447	2.156	10	10	FECE	
COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(N)ccc1O	2106734203	MMRRVNOLNQRKFZ-MRXNPFEDSA-N	365.474	2.432	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1c(N)cccc1C(=O)O	2108837027	HECCWAUMXBFTOM-KBPBESRZSA-N	365.430	2.403	10	10	FECE	
C[C@H]1CC[C@@H](S(C)(=O)=O)CN1c1ccc(CN)cc1Br	2279326871	CYFAJHUEEPAAHI-CMPLNLGQSA-N	361.305	2.310	10	10	FECE	
C[C@H]1OC2(C(=O)N3CC[C@H](N=[N+]=[N-])C3)CC1(NC(=O)OC(C)(C)C)C2	2254817622	MYAUXFLWBCVCSK-LKWWYQRQSA-N	351.407	2.112	10	10	FECE	
Cn1cc(C=C(Cl)c2nc3cc(Cl)ccc3n2C)c(=O)n(C)c1=O	2297480899	JTBUFWCSDZAEFZ-UHFFFAOYSA-N	365.220	2.361	10	10	FECE	
CN(C)c1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1F	58507284	ZPLSSQMZLDMVDR-UHFFFAOYSA-N	359.404	2.340	10	10	FECE	
C[C@@H](NC(=O)NCCCSc1nccs1)C(=O)N1CCCCC1	177830184	CRBTUOPAXVMINY-GFCCVEGCSA-N	356.517	2.326	10	10	FECE	
CO[C@H]1CC[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	187830396	MDLTZBLQYSYAKY-HOCLYGCPSA-N	365.449	2.154	10	10	FECE	
CCOc1cccc(CN2CCc3cc(S(=O)(=O)NC)ccc32)c1O	191551331	WWUBWQWLOGFPQW-UHFFFAOYSA-N	362.451	2.262	10	10	FECE	
CCCCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1	244277895	WSIIHUIBPBQNQG-MOPGFXCFSA-N	373.497	2.238	10	10	FECE	
COC(=O)[C@@H](CO)NC(=O)/C=C\c1cc(C)n(-c2ccc(C)cc2)c1C	255318752	KJPHCXRAZACTEO-IEODJVTJSA-N	356.422	2.066	10	10	FECE	
CNC(=O)NC[C@H]1CN(Cc2c(O)ccc3oc4c(c23)CCCC4)CCO1	530104845	PXXUTUNMZVNXAI-ZDUSSCGKSA-N	373.453	2.147	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCO[C@H]([C@H]3CCCO3)C2)c([N+](=O)[O-])c1	374546960	CNAIVRAFPHZDKC-PRPGUUAMSA-N	362.382	2.165	10	10	FECE	
Cn1cc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c(C2CC2)n1	291256200	FXXDKQNVPZZYPC-UHFFFAOYSA-N	368.437	2.137	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3nc(C)c(C)nc3O)C2)cc1	819585682	HDWPTXFXVTXGTN-CQSZACIVSA-N	356.426	2.064	10	10	FECE	
Cc1cc(CC(=O)NC[C@H](C)N2CCN(C)CC2)c(C)n1-c1ccccc1	827579570	GOVAPWNINDDJKG-SFHVURJKSA-N	368.525	2.389	10	10	FECE	
COc1ccc(N2CCCN(S(=O)(=O)c3cscn3)CC2)cc1	827019569	WXCGPUYZGXUQIC-UHFFFAOYSA-N	353.469	2.053	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)Nc2cc(C)nnc2N(C)C)cc1	824522539	QWYJHYAJOPFHBA-UHFFFAOYSA-N	372.473	2.460	10	10	FECE	
CC1(C)OCC[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	836242015	ROBHBHBYJAFKLI-INIZCTEOSA-N	351.422	2.029	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCCN(Cc2cscn2)CC1	588404167	XEKSFNFKQOPGBD-HYXAFXHYSA-N	359.451	2.302	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)C[C@H](C)n3cccc3)nc12	735139708	KDGLFNWOJCGYHK-LBPRGKRZSA-N	372.381	2.108	10	10	FECE	
Cc1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)oc1C(=O)O	911227516	OOYFNPFCGQEIKB-UHFFFAOYSA-N	362.357	2.192	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N[C@@H](CN)C(F)(F)F)cc1F	848594749	GWJCFNTYPVGGBH-ZDUSSCGKSA-N	350.360	2.361	10	10	FECE	
CC1(C)Oc2ccsc2[C@@H](NC(=O)NCCc2ccc(N)cc2)[C@@H]1O	841955714	KZWZXFSHVQTKKC-ZBFHGGJFSA-N	361.467	2.445	10	10	FECE	
CN1CCN(c2ccc(CN3CCc4cc(Cl)nnc4C3)cc2)CC1	843418170	JKMPIBRFAXZLHZ-UHFFFAOYSA-N	357.889	2.440	10	10	FECE	
CCN1CCN(c2ccc(CN[C@H]3CCC3(OC)OC)cc2F)CC1	924995897	KAKBUTMDXQBYFQ-SFHVURJKSA-N	351.466	2.209	10	10	FECE	
C[C@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)c1ccc(N(C)C)cc1	852260721	ARBXPPFXZOMILV-APXPCNQMSA-N	365.421	2.424	10	10	FECE	
C[C@H](NC(=O)c1cncc2ncn(C)c12)c1ccc(N2CCOCC2)cc1	865018183	HPAQSQSXVBSBRL-AWEZNQCLSA-N	365.437	2.296	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCc2nc[nH]c2C12CCC2	931679765	XIEBFNREGLGAOP-UHFFFAOYSA-N	367.497	2.372	10	10	FECE	
C[C@H](NC(=O)NC(c1ccnn1C)c1ccnn1C)c1ccccc1O	868816975	DJQKCODYAVHVSB-LBPRGKRZSA-N	354.414	2.009	10	10	FECE	
COc1ccc(N2CCCN(C(=O)/C=C\COC3CCOCC3)CC2)cc1	864949946	REMMCXZXRXASPH-RQOWECAXSA-N	374.481	2.486	10	10	FECE	
COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCCC3CC3)CC2)cc1	778286319	XFNITFWDDQGJMC-KHPPLWFESA-N	371.481	2.206	10	10	FECE	
CSc1ccccc1NC(=O)CN(C)C(=O)Cc1ccc(O)c(O)c1	1136114650	NJJOQDNIXHFNLW-UHFFFAOYSA-N	360.435	2.459	10	10	FECE	
COCc1ccc(OC)c(S(=O)(=O)Nc2ccc(O)c(OC)c2)c1	795362338	NELCIJKIFOEHEH-UHFFFAOYSA-N	353.396	2.357	10	10	FECE	
Nc1ccc(CC(=O)NCCC2(O)CCN(Cc3ccccc3)CC2)cc1	717924449	GXUFYTRATWXGCQ-UHFFFAOYSA-N	367.493	2.345	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)cc1	1150493323	GKCYAFDYLOVYSJ-ZIAGYGMSSA-N	364.427	2.031	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3c[nH]nc3C(C)(C)C)cc2)CC1	1303084310	FCLLHCYBCOLWOX-UHFFFAOYSA-N	355.486	2.389	10	10	FECE	
C[C@@H](NC(=O)N1C[C@@H]2CCC[C@H](C1)C2O)c1ccc(N2CCOCC2)cc1	1318557250	JRTROOQTTAKQMX-RYVRDWITSA-N	373.497	2.387	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3ccc(O)c(O)c3)C[C@@H]2C1	2118176112	OMJCMDXNUYXCHT-UONOGXRCSA-N	362.426	2.427	10	10	FECE	
COC(=O)c1c(CC(=O)N[C@H](C)c2ccccc2O)[nH]c(C(C)=O)c1C	1171717546	UYCBBJITIRCUJQ-LLVKDONJSA-N	358.394	2.438	10	10	FECE	
CN1CCCc2cc(CNC(=O)/C=C/c3ccc(S(C)(=O)=O)o3)ccc21	1328821097	XBFYMTRFXAGIIQ-RMKNXTFCSA-N	374.462	2.395	10	10	FECE	
CC(C)(CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C(F)(F)F	1323084289	UILJERWSOWWNGM-UHFFFAOYSA-N	369.387	2.384	10	10	FECE	
COC[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)C1CCOCC1	1329548963	RFIMHBBGQSEGKG-IBGZPJMESA-N	365.493	2.109	10	10	FECE	
Oc1cc(-c2nc3cncc(I)c3[nH]2)cc(O)c1O	2132404198	PWJGQCOQIWMVPQ-UHFFFAOYSA-N	369.118	2.346	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)c3cnn4c3NC[C@@H](C)C4)CC2)cc1	1263770242	YWBKVWNXOSGGNZ-OAHLLOKOSA-N	369.469	2.306	10	10	FECE	
Cc1ccccc1-n1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nn1	1447559050	AIWVQDPATKGZGG-CYBMUJFWSA-N	352.394	2.348	10	10	FECE	
CCN(CC(=O)Nc1ccccc1OC)C(=O)Cc1ccc(O)c(O)c1	1542531612	JNNRSVMZVXGSKZ-UHFFFAOYSA-N	358.394	2.136	10	10	FECE	
C[C@@H](CONC(=O)/C=C/c1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	1631954162	PCPHYJOLRVGTOL-IOCXFXADSA-N	352.387	2.072	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1	1637126242	POJXHQXIUSJPPM-GFCCVEGCSA-N	358.369	2.296	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)N2CCN(CC3CC3)CC2)N(C)C)cc1	1565452402	CEEOWGGBBHHUBV-FQEVSTJZSA-N	373.545	2.093	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CC4(CC(N)C4)C3)ccc(N)c2C1	1876204750	AOPZRYLESXVQKH-UHFFFAOYSA-N	358.486	2.490	10	10	FECE	
O=S1(=O)CCC[C@H]2CN(Cc3cccc(Br)c3O)C[C@H]21	2145070921	DWLPJKSKADBTAR-GXFFZTMASA-N	360.273	2.164	10	10	FECE	
C[C@@H]1[C@@H](C)S(=O)(=O)CCN1c1cc(Br)c(CN)cc1F	2170280477	RXWBPELPKOROMM-RKDXNWHRSA-N	365.268	2.059	10	10	FECE	
CN(C(=O)CN1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1)c1ccc(N)cc1	705901211	XKPQEQRPSNVKAM-OALUTQOASA-N	364.493	2.295	10	10	FECE	
CC(C)(C)OC(=O)N1CC(NCc2c(O)ccc3ccccc23)(C(N)=O)C1	715604871	VUKPCPVRWPXBCE-UHFFFAOYSA-N	371.437	2.110	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CN[C@@]12CC[C@@H](C1)[C@@H](O)[C@H]2O	2176917859	QWJPKDAYFZSLOV-PQKREGAFSA-N	362.651	2.172	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CN[C@@]12CC[C@@H](C1)[C@@H](O)[C@@H]2O	2176917857	QWJPKDAYFZSLOV-MBTXQYBYSA-N	362.651	2.172	10	10	FECE	
C[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)C[C@H]1NC(=O)OC(C)(C)C	2054414937	QVCJMUKYMPGTQG-DGCLKSJQSA-N	350.415	2.473	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1CC(=O)C(=O)C[C@H]1C[C@H](N)C1	2056896583	OMYCICLVPLORNZ-YTFOTSKYSA-N	350.459	2.430	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2060618658	BTUNABXPIBFMTM-QWHCGFSZSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N1CC(OCC(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C1	2060614158	ZBJOURDANMCESN-GFCCVEGCSA-N	353.423	2.314	10	10	FECE	
CCOC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(C)c1O	2084058298	FFQQLYWXBIDTBA-AWEZNQCLSA-N	352.431	2.247	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(c3cc4c(cc3N)NC(=O)CC4)C[C@@H]21	2107819890	IUPPQMFQDLYQPP-PBKGOJFUSA-N	358.442	2.113	10	10	FECE	
COc1ccc(N2C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)c(F)c1F	2219772155	XYVGAOWZTCGUOU-QWRGUYRKSA-N	358.385	2.438	10	10	FECE	
CC(C)(C)OC(=O)NCCc1nc(=NCc2ccc(O)cc2O)s[nH]1	2222333999	WRTOYOAWBVZCTG-UHFFFAOYSA-N	366.443	2.051	10	10	FECE	
Cn1cccc1C=C1SC(=S)N(NC(=O)c2ccc(O)cc2)C1=O	2296883585	ZYYCRNUYZNUYQY-UHFFFAOYSA-N	359.432	2.277	10	10	FECE	
Cc1ccc(N2NC(=O)C(=C3C(=O)Nc4ccccc43)C2=O)cc1Cl	2297578042	ZOMJPYNPEKANGE-UHFFFAOYSA-N	353.765	2.432	10	10	FECE	
CCOc1cccc(C=C2SC(=S)N(CCOCCO)C2=O)c1O	2323768184	WHGQGEHKJFPVSC-UHFFFAOYSA-N	369.464	2.001	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)c1cn(C)nc1CNC(=O)OC(C)(C)C	2315987423	SKGFNXHZAIRCPT-UHFFFAOYSA-N	351.411	2.217	10	10	FECE	
CS(=O)(=O)[C@H]1CC[C@H]1NCc1cc(Cl)cc(Br)c1O	2342596096	LTTOQCASEUQHON-MNOVXSKESA-N	368.680	2.473	10	10	FECE	
Cc1cccc(CNC[C@H]2CN(C(=O)OC(C)(C)C)[C@H]3CCN2C3)c1O	2342846118	PHPIYLJBJGCIDB-IRXDYDNUSA-N	361.486	2.484	10	10	FECE	
COc1ccc(N2CCCN(C(=O)/C=C/c3cnn(C)c3C)CC2)cc1	179251845	CPNOEQPRAPWASV-BJMVGYQFSA-N	354.454	2.489	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@H]1CCCCO1	122315114	ZPJYEMFHJIQNKQ-HXUWFJFHSA-N	357.498	2.404	10	10	FECE	
CNC(=O)c1cccc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1	43689962	DZZQYBRJSGBMEL-UHFFFAOYSA-N	368.437	2.409	10	10	FECE	
CCN(C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)c1ccc2ccccc2c1	255309654	RIZNMTIPPUUNDT-BENRWUELSA-N	363.417	2.304	10	10	FECE	
COc1cc(C2([C@H](NC(=O)OC(C)(C)C)C(=O)O)CC2)cc(O)c1O	1952723981	MPJXTQSHTJFDDA-CYBMUJFWSA-N	353.371	2.116	10	10	FECE	
O=C(N[C@@]1(c2cc(O)c(O)c(O)c2)C[C@H]1C(=O)O)OCc1ccccc1	1952774254	FSYCSRSWGUFNIW-KPZWWZAWSA-N	359.334	2.030	10	10	FECE	
Cc1ccc(CN2CCS(=O)(=O)C(C)(C)C2)c(O)c1Br	2380735978	XWYFHVNIRFOEJS-UHFFFAOYSA-N	362.289	2.472	10	10	FECE	
CCOC(=O)[C@H](F)C1CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1	293313456	ZKOAJFQHINYYKZ-BIENSFFJSA-N	366.345	2.118	10	10	FECE	
COC[C@@H]1C[C@@H](O)CN1C(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2	652784441	GFTHAOZHHJASTF-LSDHHAIUSA-N	372.465	2.137	10	10	FECE	
CN(C)C(=O)N(C)[C@H]1CCN(Cc2cccc(Br)c2O)C1	827544834	LQGVPOCEAFJJAK-LBPRGKRZSA-N	356.264	2.342	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)/C=C\c3cccnc3)cc2)CC1	588557031	OTHICBZATRHKEC-TWGQIWQCSA-N	364.449	2.080	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)cc1	902898932	YCNGYRWIQJCWKS-HNAYVOBHSA-N	360.458	2.173	10	10	FECE	
C[C@H](NC(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21)c1ccc(N(C)C)cc1	836405577	IBBCWTVYEIMHPA-RRQGHBQHSA-N	365.499	2.175	10	10	FECE	
C/C(=C\c1cccnc1)C(=O)N1CCc2ccc(S(=O)(=O)N(C)C)cc21	846879410	XYYLCRGOZWBSSC-SDNWHVSQSA-N	371.462	2.325	10	10	FECE	
Nc1c(C(=O)OC[C@H]2CCOC2)ccc2c1C(=O)c1ccccc1C2=O	918848401	YKGQBVICCXRWIJ-NSHDSACASA-N	351.358	2.238	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC[C@@H]1CNC(=O)C1	926970496	RIMAYMFBQFMNLJ-KRWDZBQOSA-N	358.486	2.345	10	10	FECE	
C[C@@H](N[C@H]1CCc2nnn(C)c2C1)c1cc(Br)ccc1O	927147977	VNAUJDXMJDSLMW-KOLCDFICSA-N	351.248	2.491	10	10	FECE	
CCn1nc(C)c([C@@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n1	924726973	BSMXUGKIRIRZPL-RHSMWYFYSA-N	370.501	2.159	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)CC[C@@H]2CC[C@H](C(N)=O)O2)cc1	864636363	HMGOGCPAVQZDOD-ZWKOTPCHSA-N	361.486	2.304	10	10	FECE	
C[C@@H](NC(=O)C(=O)Nc1ccc2nccn2c1)c1ccc(N(C)C)cc1	773850212	XFVICCXNNRZPCG-CYBMUJFWSA-N	351.410	2.216	10	10	FECE	
COc1cc(O)c(CNC[C@@]2(O)[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)cc1OC	787306007	XZYMIVIMFZQQQV-FTMNIIQZSA-N	357.450	2.008	10	10	FECE	
CC(C)(CCNC(=O)c1cc2cc(O)c(O)cc2s1)S(C)(=O)=O	1142364787	VQEPEORLOXEVBU-UHFFFAOYSA-N	357.453	2.256	10	10	FECE	
Cn1ccnc1[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)c(O)c1	1144701605	GINWQQIYNJUNRZ-INIZCTEOSA-N	351.406	2.474	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1sccc1S(=O)(=O)C(F)F	1176748115	KPKAFBCBQGZGFH-UHFFFAOYSA-N	363.363	2.086	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C	2124152711	BVRYGYUDFGCWIR-VNHYZAJKSA-N	364.442	2.282	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1sccc1F	1324265757	HNNRSZOPLVRCIU-NSHDSACASA-N	353.371	2.203	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2124516382	FASXTAZSYKAVHR-UONOGXRCSA-N	367.450	2.417	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1cc(C(F)F)on1	1263705105	OJZIVIYNVBOXNV-UHFFFAOYSA-N	366.368	2.448	10	10	FECE	
CN1CCCc2cc(CNC(=O)C(=O)N[C@H]3C[C@H]3c3ccccc3)ccc21	1345501305	WCOPRZAFNAAXNP-OALUTQOASA-N	363.461	2.358	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CC(c3cnn(C)c3)=NO2)cc1F	1293225607	YKMQVWDKYOUZEY-SFHVURJKSA-N	373.432	2.215	10	10	FECE	
CC(C)C[C@@H]1COCCN1C(=O)NCc1ccc(N2CCN(C)CC2)cc1	1471190669	JQMRYBBHDMXKPV-HXUWFJFHSA-N	374.529	2.395	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc(-c2ccccn2)nc1	1632681833	WAYNWFDJCJLCDH-LBPRGKRZSA-N	350.378	2.311	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)Cc3ccc(O)c(O)c3)[C@@H]2C1	1638525644	HEYPFAZDVRRTPT-ZIAGYGMSSA-N	362.426	2.108	10	10	FECE	
CC[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1O	1743455675	CIHMDNZTOAXYEJ-IBGZPJMESA-N	370.457	2.182	10	10	FECE	
C[C@H](NCCCCN1CCC[C@@H]1CO)c1ccc(N2CCOCC2)cc1	160662571	YQEDLEZJUHMFDZ-GHTZIAJQSA-N	361.530	2.411	10	10	FECE	
C[C@@H](O)c1ccc(N2CC[C@H]3CS(=O)(=O)C[C@H]32)cc1Br	2151273732	QGXPYACMRWRHLC-ISTVAULSSA-N	360.273	2.126	10	10	FECE	
CC(C)NCc1ccc(N(C)C2CS(=O)(=O)C2)c(Br)c1	2152239979	PEOFIUPKTATPMY-UHFFFAOYSA-N	361.305	2.180	10	10	FECE	
COc1ccc(O)c(CN[C@@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)c1	2031531972	GRQLKHQCNFPUAZ-LSDHHAIUSA-N	352.431	2.173	10	10	FECE	
Nc1ccc(OC[C@@H](O)CN2C[C@@H]3C[C@H](C2)CN3Cc2ccccc2)cc1	2187752561	QMHRMBZTFWGBRU-GIVPXCGWSA-N	367.493	2.215	10	10	FECE	
CCCN(CC(=O)NCCc1ccc(O)c(O)c1)C(=O)OC(C)(C)C	2060386973	GJJVQJYINIMPCZ-UHFFFAOYSA-N	352.431	2.404	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2060615462	OMEKQWSPDDPEBG-UPJWGTAASA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1C[C@H]2C=C[C@H]1C2	2200967011	LZMADNSJHWPXJS-KKUMJFAQSA-N	374.437	2.321	10	10	FECE	
CCOc1ccccc1C=C1SC(N2CCN(C(C)=O)CC2)=NC1=O	2297311287	QKMTZHQPUIAXIM-UHFFFAOYSA-N	359.451	2.220	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12	2315989899	VNHOMJZIYIITED-XQQFMLRXSA-N	353.423	2.027	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@]12CO[C@@H](C1)[C@@H](NC(=O)OC(C)(C)C)C2	2315988540	JVXWNEOMHDXBSD-MQIPJXDCSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CNC(=O)c1cc(O)c(O)c(O)c1)C(C)(C)C	2336948383	GXOXHSUTRIIAHY-CYBMUJFWSA-N	368.430	2.473	10	10	FECE	
COc1ccc(CN[C@@H]2CCO[C@](C)(C(=O)O)C2)cc1Cn1cccn1	1353962679	FJUGXBJPTAEIDK-APWZRJJASA-N	359.426	2.052	10	10	FECE	
COc1c(C(=O)NCc2ccc(N(C)C)c(F)c2)cnc2c1cnn2C	182492997	JHRPUNARDACVPO-UHFFFAOYSA-N	357.389	2.112	10	10	FECE	
COc1cccc(CCNC(=O)CN[C@H](C)c2cc(OC)ccc2O)c1	182414913	HAXPZBJXAQQDDG-CQSZACIVSA-N	358.438	2.419	10	10	FECE	
O=S(=O)([C@@H]1CCN(Cc2c(O)ccc(Cl)c2F)C1)N1CCCC1	191447908	IBXAIGIWMYTLFD-LLVKDONJSA-N	362.854	2.185	10	10	FECE	
C[C@H](O)CCN(C)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92451836	LBMOJRHJXMDEGG-KRWDZBQOSA-N	374.529	2.131	10	10	FECE	
Cc1nn(C)c(C)c1CCNC(=O)/C=C\c1ccc(N2CCOCC2)cc1	255357452	UMPWSCZDRZPDRV-TWGQIWQCSA-N	368.481	2.246	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CN(C(=O)C(C)(C)C)CCO1	369771094	TXLVHLBPAPPPFU-KRWDZBQOSA-N	362.470	2.404	10	10	FECE	
COCCCn1c(C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1	283149912	YWCVDEMMWRVFEO-UHFFFAOYSA-N	359.474	2.096	10	10	FECE	
CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1ccc(N2CCOCC2)cc1	373587387	WUECLYWNKRUJDK-MOPGFXCFSA-N	362.470	2.066	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccc(Cl)cn1	287435962	OYLSQQMEPWNJGQ-UHFFFAOYSA-N	374.872	2.466	10	10	FECE	
CC(=O)C(=O)COC(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1	808535365	JJZIXLUTXMOJTE-SFHVURJKSA-N	356.374	2.390	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C2	819485283	ROXLGZMOVPAIKF-MHEUCROKSA-N	362.426	2.012	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21	830695743	SVBXZFSOTOUUPH-HNNXBMFYSA-N	361.394	2.222	10	10	FECE	
CCOc1cccc(CNC[C@@H]2CS(=O)(=O)c3ccccc3O2)c1O	842722327	PFPDLBMTUOTSFA-CQSZACIVSA-N	363.435	2.115	10	10	FECE	
COc1ccc(N(C)[C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)cc1F	851808520	OKMDVSXNCYWWKB-CQSZACIVSA-N	352.406	2.213	10	10	FECE	
CCc1cccc(CNC(=O)CN(CC(=O)O)c2ccc(OC)cc2)c1	853011107	SQBXUFQPCLHIMH-UHFFFAOYSA-N	356.422	2.465	10	10	FECE	
CCOc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)nc1C	850345076	ITXCHAVELSJCTE-UHFFFAOYSA-N	370.453	2.452	10	10	FECE	
CCOC(=O)CN1C(=O)/C(=C\c2c[nH]c(C(=O)OC)c2)c2ccccc21	755411320	PLZDEIZYJFFXBS-ZSOIEALJSA-N	354.362	2.252	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCc2nccnc2C1	851991633	SPYHOHQQUXGOTP-UHFFFAOYSA-N	369.494	2.298	10	10	FECE	
COc1ccc(N2CCN(C(=O)COc3ccc(O)cc3)CC2)cc1F	753738449	KKOKOMYDCOGRTK-UHFFFAOYSA-N	360.385	2.268	10	10	FECE	
COC(=O)c1oc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1C	862226270	YAZCHXPVYVMGMJ-UHFFFAOYSA-N	372.421	2.266	10	10	FECE	
CCOC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	869229421	WRJVUFVEMZQEND-ARFHVFGLSA-N	360.454	2.370	10	10	FECE	
COc1cc(OC)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1C=O	860696690	CVXIJHOKVMBAKS-LLVKDONJSA-N	359.378	2.289	10	10	FECE	
CO[C@H](C)c1noc(CN(C)Cc2ccc(N3CCN(C)CC3)cc2)n1	775736340	DWROUWLIWGOEEZ-OAHLLOKOSA-N	359.474	2.161	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)N[C@@H]3CCC[C@]34CCCO4)cc2)CC1	889659483	WYURXGNZGQYNEX-CTNGQTDRSA-N	372.513	2.339	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N(C)Cc1ccns1	898086103	JWEIXGBYWVSVNW-CQSZACIVSA-N	374.510	2.223	10	10	FECE	
CC(C)n1c(S)nnc1CCNC(=O)c1ccc(N=NC(N)=O)cc1	1136783501	GKXLWMRRSWUVDC-UHFFFAOYSA-N	361.431	2.283	10	10	FECE	
C[C@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)C1(S(C)(=O)=O)CC1	797070805	SRRPKDXSRIMKGH-KGLIPLIRSA-N	370.490	2.279	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)OC)c1	1137473639	PYYPHTZUHUMFLX-ABAIWWIYSA-N	368.430	2.118	10	10	FECE	
CCn1cc([C@H]2C[S@](=O)CCN2Cc2cc(C)cc(OC)c2O)cn1	792714349	BFJWKILTOPZXOZ-PUAOIOHZSA-N	363.483	2.231	10	10	FECE	
Cc1ccc(O)c(CNC(=O)[C@@H](C)S(=O)(=O)c2ccc(F)cc2)c1	1301046968	OPTQVCOBERSDQO-GFCCVEGCSA-N	351.399	2.318	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCO[C@H](c3ccnn3C)C2)c1	1312705452	KRCFYCYOPNNVGY-LXIYXOSZSA-N	374.441	2.415	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)Nc2ccc(N)cc2)[C@H](CO)C1	2116272670	DUXRPTXCNYBOQV-WFASDCNBSA-N	364.446	2.008	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CC(=O)NCCc2ccc(O)c(O)c2)C1	2125676869	LBEJCKJCELJQIX-OKILXGFUSA-N	364.442	2.450	10	10	FECE	
C[C@H](c1c(O)cccc1O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O	2136356948	FUMITZQZMXUWLV-VXGBXAGGSA-N	366.414	2.165	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NCc2ccc(O)c(O)c2)CC1	1921715773	KHYWXQNRWWKLPR-CABCVRRESA-N	366.458	2.195	10	10	FECE	
CCCNC(=O)Cn1c(CC(C)C)nnc1N(C)Cc1ccccc1O	1547256957	UKSLJPNZAMSOAC-UHFFFAOYSA-N	359.474	2.345	10	10	FECE	
CN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	1628826603	MWRWIZNPOPCCKS-CYBMUJFWSA-N	350.415	2.108	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2ccc(O)c(Cl)c2)c1	1558208364	BNEFZTRCQRNPRP-UHFFFAOYSA-N	370.814	2.053	10	10	FECE	
CCc1nnc(N2CCO[C@H](COC)C2)n1Cc1ccc(N(C)C)cc1C	1727628695	OJJVRTLZMWVFCZ-SFHVURJKSA-N	373.501	2.115	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@H]2CCOC2)n1CCC1(O)CCC1	1747750583	UCIWWHNYUSGNDU-INIZCTEOSA-N	372.469	2.429	10	10	FECE	
Cc1ccc(O)c(CNC(=O)CCNC(=O)c2n[nH]c3ccccc23)c1	1584983134	FNORPTQMKGSPFB-UHFFFAOYSA-N	352.394	2.013	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)c3ncccc3N)cc2F)C[C@@H](C)O1	1596695018	LWZXAGFFDFLOIC-BETUJISGSA-N	358.417	2.347	10	10	FECE	
COc1cc(OC)c2c(=O)c(C(=O)NCc3c(O)cccc3F)c[nH]c2c1	1596917179	YGXHSPIPQTZPMK-UHFFFAOYSA-N	372.352	2.320	10	10	FECE	
CCOc1cccc(CNCCC(=O)N(C)CCc2ccncc2)c1O	1857863980	QMNOYLNZADAJFF-UHFFFAOYSA-N	357.454	2.367	10	10	FECE	
O=C(N[C@@H](CCc1cc(O)c(O)c(O)c1)C(=O)O)OCc1ccccc1	1951401583	GVGVUMLMNHXHFH-ZDUSSCGKSA-N	361.350	2.116	10	10	FECE	
CN[C@H]1C(=O)Nc2cc(N3CC4(CSC4)C3)c(Br)cc21	2146378961	IWQRRYOYEPYHRW-GFCCVEGCSA-N	354.273	2.215	10	10	FECE	
O=C(N[C@@H]1CC[C@@H]1NC(=O)c1cccc(O)c1O)OCc1ccccc1	1982316713	FFNMRANKCDFURF-LSDHHAIUSA-N	356.378	2.285	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(CCNCc2ccc(F)c(F)c2O)CC1	703229464	IVZUFIUKZHISTD-UHFFFAOYSA-N	371.428	2.313	10	10	FECE	
CN1C(=O)[C@H](O)c2ccc(N3C[C@H]4CCN(Cc5ccccc5)[C@H]4C3)cc21	2188872033	MXLQGHDMUNFFQN-TYCQWZJGSA-N	363.461	2.407	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CNC(=O)Cc1ccc(N)cc1)C(F)(F)F	2044228702	MOORIAJNSNFJDA-GFCCVEGCSA-N	361.364	2.383	10	10	FECE	
COc1ccc(N2CCN(C(=O)OC(C)(C)C)[C@H](CCO)C2)c(N)c1	2044629937	AKAPXDYKQGLJSK-CYBMUJFWSA-N	351.447	2.086	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@]2(C(=O)C(=O)C[C@H]3C[C@H](N)C3)C[C@H]2C1	2049784308	JOCDSOYHOMTQOB-MNUAXYBXSA-N	350.459	2.289	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NCc2cc(F)ccc2O)C1	2052718030	VGWWBYOSKBFDIN-IUODEOHRSA-N	354.422	2.239	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2060637151	HMPTVYGNNPPHON-VXGBXAGGSA-N	353.423	2.123	10	10	FECE	
COc1ccc(O)c(CN[C@@H]2CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1	2121673687	RYIXIMIWBDSLDS-INMHGKMJSA-N	364.442	2.125	10	10	FECE	
COCC1(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])CN(C(=O)OC(C)(C)C)C1	2218738823	RESRRQBCMAWMQA-VXGBXAGGSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)NCCCN(CCO)c1ccc2c(c1)COCC2	2255084893	FMLGINDNCYFTJU-UHFFFAOYSA-N	350.459	2.473	10	10	FECE	
O=C(O)CCCN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2O)SC1=S	2296879815	DUVGVROSFWRBSZ-UHFFFAOYSA-N	368.392	2.366	10	10	FECE	
CCOCCCN1CC[C@H](NC(=O)C=Cc2ccc(O)c(O)c2)[C@H](C)C1	2307987324	SHUKSGZBGYLOLR-WBVHZDCISA-N	362.470	2.364	10	10	FECE	
CN(C)CCCNC(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S	102724128	LKWGZGJKILMCTJ-FMIVXFBMSA-N	369.537	2.017	10	10	FECE	
CC(C)NC(=O)CN(C)C(=O)c1cccc2c1C(=O)c1ccccc1C2=O	175278395	LACCFFYOBGHESW-UHFFFAOYSA-N	364.401	2.059	10	10	FECE	
CC(=O)N1C[C@H](C)Oc2ccc(S(=O)(=O)Nc3ccc(O)cc3)cc21	71446879	OANXSHAJPJGWQR-NSHDSACASA-N	362.407	2.327	10	10	FECE	
COCCOC[C@@H]1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1	81267015	TZVUYSCQLJRJED-ZLHKHBAESA-N	374.481	2.048	10	10	FECE	
COc1nnc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)s1	801747369	OVRPOXRMVFPYNX-NSHDSACASA-N	363.443	2.266	10	10	FECE	
CN1CCc2cc([C@H](N)[C@]3(O)C[C@@H]4[C@H]3CCN4C(=O)OC(C)(C)C)ccc21	2163141588	WACONZKNFSVWQO-OCQZMCQHSA-N	373.497	2.439	10	10	FECE	
CO[C@@H]1COCC[C@@H]1CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	294755300	ATYWYISWXPLJRD-SZVBFZGTSA-N	363.454	2.341	10	10	FECE	
COC(=O)c1cnc(SC[C@@H](O)CN(C)C(=O)OC(C)(C)C)s1	818172680	NVIMVELHVUTNFK-VIFPVBQESA-N	362.473	2.250	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CNCc2nn(C)cc2Br)c1O	824783036	BYWJVGWKSWEDHR-UHFFFAOYSA-N	371.191	2.095	10	10	FECE	
Oc1c(Br)cccc1CN[C@H]1CNCC2(CCOCC2)C1	903975231	ZNVYNUFDGLMQFL-CYBMUJFWSA-N	355.276	2.403	10	10	FECE	
CCn1c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cnc1Br	907272716	IFEWWPOWWZIIAR-VIFPVBQESA-N	368.231	2.438	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@]1(C)C[C@@H](O)CN1C(=O)OC(C)(C)C	901052388	IYIJYBKVSUVUFW-AUUYWEPGSA-N	364.442	2.111	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCC[C@H](N3CCCS3(=O)=O)C2)cc1	835054150	NRKZFOATXVEOJH-NAASZUNDSA-N	363.527	2.266	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H](C)[C@H]3CCCO3)cc2)CC1	832794315	LXOTZONMRVQUFA-OXQOHEQNSA-N	373.497	2.177	10	10	FECE	
C[C@@H](NC(=O)NC[C@H]1C[C@@H](N(C)C)C1)c1ccc(N2CCOCC2)cc1	847298497	MCZZJMXVEJPEHR-MDZRGWNJSA-N	360.502	2.224	10	10	FECE	
CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2C)cc1	743259727	MDOZMCFPSBSIGP-UHFFFAOYSA-N	355.437	2.295	10	10	FECE	
Cc1ccccc1-n1cc(/C=C2\SC(N3CCOCC3)=NC2=O)cn1	843270172	XDDPHSCFLPVNEB-YBEGLDIGSA-N	354.435	2.483	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)NCc2cccnc2N(C)C)cc1	844878376	AEIPOKDKLNTSMT-UHFFFAOYSA-N	371.485	2.434	10	10	FECE	
O=C(NCc1ccccc1CN1CC[C@@H](O)C1)NCc1c(O)cccc1F	921884701	MCXRTAWTQCOISJ-MRXNPFEDSA-N	373.428	2.097	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCN(C4CC4)C[C@@H](C)C3)C2)cc1	854297632	POVBUDNCIWJIPW-IAGOWNOFSA-N	372.513	2.400	10	10	FECE	
Cc1cc(F)ccc1C[C@@H](C)NC(=O)C(=O)NCCc1ccc(N)cc1	851687652	GTNLATCKDRAOHP-CQSZACIVSA-N	357.429	2.122	10	10	FECE	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCc2cn(C)nn2)cc1	857584618	NSMLSDXIZHQHIE-UHFFFAOYSA-N	369.391	2.405	10	10	FECE	
O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H]1CCC2(CCOCC2)CO1	925069753	DDLMQKIRGVDGTA-INIZCTEOSA-N	374.437	2.132	10	10	FECE	
C[C@H](NC1CCN(CCC(=O)N(C)C)CC1)c1cc(F)cc(F)c1O	756561618	FYNYSHZUUBWBHV-LBPRGKRZSA-N	355.429	2.264	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCO[C@](C)(C(F)F)C3)C2)cc1	852450007	FEJWNRNVOKDXEJ-ACJLOTCBSA-N	369.412	2.340	10	10	FECE	
CC1(C)C[C@@H](S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)CO1	858907899	IBORZEMIPGMAFI-MRXNPFEDSA-N	370.540	2.227	10	10	FECE	
CN(C)c1ccc(CNC(=O)[C@@H](C[C@H]2COCCO2)C(F)(F)F)cc1	854271664	OUUXZSBSQOUZDD-LSDHHAIUSA-N	360.376	2.353	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CC(Cc3cnn(C)c3)C2)c([N+](=O)[O-])c1	865957472	CPPQTEOWBTUVCH-GQCTYLIASA-N	356.382	2.193	10	10	FECE	
CN1CCCc2cc(CN3C(=O)N[C@H](C[C@H]4CCCOC4)C3=O)ccc21	863503220	ZEWIOFFBRCGLJS-NVXWUHKLSA-N	357.454	2.306	10	10	FECE	
COC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)/C(C)=C\c1cccnc1	1129405293	XHCTXQJYSPDLDY-WQLSENKSSA-N	351.362	2.257	10	10	FECE	
CCCCS(=O)(=O)CC(=O)N(C)Cc1ccc(N2CCCC2)cc1	1124623298	QYFMMWDZUBHVEY-UHFFFAOYSA-N	352.500	2.460	10	10	FECE	
O=C(Nc1cccc(C(=O)N2CCC[C@@H](CO)C2)c1)c1cccc(O)c1O	1137979795	GCVINEVDJCEJJS-CYBMUJFWSA-N	370.405	2.195	10	10	FECE	
CCOC(CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)OCC	785955578	LZUKEHNROSXBBU-HNNXBMFYSA-N	350.459	2.490	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C[C@H]3NC(=O)c4ccccc43)C2)cc1	898580427	KLBQKFWYFTUIQV-AUUYWEPGSA-N	365.433	2.265	10	10	FECE	
COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)N[C@H](C)c3cc(OC)ccc3O)[C@@H]2C1	897719733	TWONOPNFLPCHEY-POPZOMSYSA-N	362.426	2.349	10	10	FECE	
COC(=O)c1cccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)c1C	797819769	RRFZDIXJEMIWKU-UHFFFAOYSA-N	351.380	2.297	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CN(c3ccc(F)cc3)C2=O)cc1	1154032594	ORSUYTUBZOTBDT-CQSZACIVSA-N	355.329	2.133	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](C(=O)N1CCC[C@H]1CN=[N+]=[N-])[C@H]1CCOC1	2124506748	AJGXIIPUUCZBDD-MELADBBJSA-N	367.450	2.465	10	10	FECE	
COCc1ccc([C@@H]2CCCN2C(=O)C(=O)N2Cc3cccc(O)c3C2)o1	1329482782	GMCFERWMWWXIMG-INIZCTEOSA-N	370.405	2.338	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CC(=O)NCCc1ccc(O)c(O)c1)C(F)F	1636022342	JLNSJTIDJZUCPP-LLVKDONJSA-N	374.384	2.305	10	10	FECE	
NC(=O)c1cc(C(=O)NCc2cccc(Cl)c2O)nn1-c1ccccc1	1180409608	FDRARHALARQBGD-UHFFFAOYSA-N	370.796	2.260	10	10	FECE	
O=C(O)[C@@H](C[C@H]1CCOC1)NCc1cc(Br)cc(F)c1O	1262163536	WRXIGOSFZOGYAX-PRHODGIISA-N	362.195	2.263	10	10	FECE	
CCOC(=O)[C@H](CC(=O)N(C)Cc1ccc(N2CCCC2)cc1)C(C)=O	1463805948	GVQSSBBGIPRFGL-GOSISDBHSA-N	360.454	2.404	10	10	FECE	
O=C(NCc1cccc(O)c1O)C(=O)Nc1cccc(C(F)(F)F)c1	1471642742	ZAWQGLAINJXBLJ-UHFFFAOYSA-N	354.284	2.372	10	10	FECE	
COc1cc(N2CCN(C[C@@H]3CCCC[C@H]3O)CC2)cc(OC)c1OC	1617064033	PCINNUXUKGXATO-DOTOQJQBSA-N	364.486	2.386	10	10	FECE	
COc1ccc(N2CCC(NC(=O)c3cc4n(n3)CCC[C@@H]4O)CC2)cc1	1542704282	XNUFIOKXINSADJ-IBGZPJMESA-N	370.453	2.118	10	10	FECE	
O=C(C[C@H]1COCCN1C(=O)Cc1ccc(O)c(O)c1)c1cccs1	1545223407	GQJWOBGJYAHQTN-ZDUSSCGKSA-N	361.419	2.202	10	10	FECE	
COCCN(C)CCNC(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2	1547270104	WDIJWFQUCPHETO-UHFFFAOYSA-N	373.497	2.223	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1ccc(CSc2nc[nH]n2)cc1	1635847499	OTIZTDIOYWSRHT-UHFFFAOYSA-N	356.407	2.438	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)c1ccc(=O)n(-c2ccccc2)n1	1639621632	MZPLTPSUJCMBFV-UHFFFAOYSA-N	372.384	2.416	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CC(=O)NCc1c(O)cccc1O)C(F)F	1645366609	VQJDFOALFLXTIJ-SNVBAGLBSA-N	360.357	2.263	10	10	FECE	
COC(=O)[C@H]1c2ccccc2OCCN1C(=O)/C=C\c1ccc(O)c(O)c1	1648217053	HSFHUHXVUYULKW-GXVATQTDSA-N	369.373	2.246	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC(F)(F)[C@@H](CO)C2)c([N+](=O)[O-])c1	1773581549	QGUPFGVLZHRQKI-KTLBGCOUSA-N	356.325	2.235	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12CO[C@](C(=O)N3CC[C@@H](CN=[N+]=[N-])C3)(C1)C2	2142248959	KTOFZNZCONKHCP-AFAVFJNCSA-N	365.434	2.219	10	10	FECE	
O=C(N[C@H]1COCC[C@H]1NCc1ccc(O)cc1O)OCc1ccccc1	1943955348	QKYDCTBJLJWLFB-MSOLQXFVSA-N	372.421	2.271	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H](NCc2cc(F)cc(F)c2O)C1	1962848187	HPOWCOVOZKFTQH-CYBMUJFWSA-N	358.385	2.396	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CC(F)(F)F)C(=O)C(=O)C[C@H]1C[C@H](N)C1	1906905596	CXDPSJTWHUTFNK-GUBZILKMSA-N	352.353	2.098	10	10	FECE	
C[C@]1(CNCc2ccc(Br)cc2O)CCCS(=O)(=O)C1	2194276103	HFGMBWVXGIDWRS-CQSZACIVSA-N	362.289	2.459	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2060614559	DQWLBJCYMLIZTA-STQMWFEESA-N	355.439	2.201	10	10	FECE	
COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CN=[N+]=[N-])CC1	2060632723	FDENPOJZXHJODU-ZDUSSCGKSA-N	355.439	2.465	10	10	FECE	
COc1cccc(O)c1CN=c1nc(CNC(=O)OC(C)(C)C)[nH]s1	2067322772	NXBQFMSBBXYTJV-UHFFFAOYSA-N	366.443	2.311	10	10	FECE	
CC(C)(CNC(=O)OC(C)(C)C)CNC(=O)c1cc(O)c(O)c(O)c1	2068622240	VIVUIFYRXMEVCR-UHFFFAOYSA-N	354.403	2.084	10	10	FECE	
O=C1Nc2cc(N3Cc4ncsc4C3)c(Br)cc2[C@H]1O	2201392293	RIIQYQSBZHDYBV-GFCCVEGCSA-N	352.213	2.411	10	10	FECE	
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(C)c1O	2084068620	QOLWLGARWVKFQG-OCCSQVGLSA-N	352.431	2.245	10	10	FECE	
CN[C@H](c1ccccc1O)[C@]1(COC)CN(C(=O)OC(C)(C)C)CCO1	2090047586	LXAQYQKXQHREGB-VQIMIIECSA-N	366.458	2.305	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)NC[C@@H](O)Cc1ccccc1	2298373574	KRXLRMDOVLEXJA-NRFANRHFSA-N	366.461	2.256	10	10	FECE	
Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1C(=O)C=Cc1ccc(O)c(O)c1	2309366087	RMZSRXAGPWTUQN-LJQANCHMSA-N	370.380	2.258	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CCO[C@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2312333613	RQMVEUGZWBYTMG-FVCCEPFGSA-N	353.423	2.264	10	10	FECE	
c1ccc(COc2ccc(N3CCOC[C@]34CNCCOC4)cc2)cc1	2336053032	GHFBIUSCIMESKZ-OAQYLSRUSA-N	354.450	2.461	10	10	FECE	
O=C(CSc1ccc(F)cc1)NCc1ccc(N2CCNC(=O)C2)cc1	106187299	HPYBHLBGPIFULX-UHFFFAOYSA-N	373.453	2.170	10	10	FECE	
NC(=O)c1ccc(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)cc1	108670602	BULDNOOXUDIYTC-XCVCLJGOSA-N	351.406	2.274	10	10	FECE	
Nc1ccc(CC(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)cc1	66153953	XNOJNDKFLSJILJ-SFHVURJKSA-N	353.422	2.359	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3CCN4CCC[C@H]4C3)CC2)cc1	171906698	JTIGJJHKOCJTGM-SFHVURJKSA-N	358.486	2.154	10	10	FECE	
CC(C)Nc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(C)C1=O	33935918	PZEZREAXPPFVPG-DHZHZOJOSA-N	360.464	2.346	10	10	FECE	
COCc1cc(F)ccc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1	187082650	OLVQNXPXFBXERZ-UHFFFAOYSA-N	359.401	2.293	10	10	FECE	
Cn1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1=O	194807218	OZPYLBFAUKIGPM-INIZCTEOSA-N	357.410	2.304	10	10	FECE	
CCN(C)c1ccc([C@@H](C)NCCNS(=O)(=O)c2cccnc2)cc1	90584821	WUXNFZSEEQZOKW-OAHLLOKOSA-N	362.499	2.167	10	10	FECE	
CCO[C@H](CS(=O)(=O)N1CCOc2cc(N(C)C)ccc21)C1CC1	625024880	IGZSWCJQTMJTCC-QGZVFWFLSA-N	354.472	2.096	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCc2nnc(C3CC3)n2C1	366440098	ZMPCFRIINOVLSL-MRXNPFEDSA-N	353.470	2.443	10	10	FECE	
CCNC(=O)C[C@H]1CCCCN1C(=O)NCc1ccc(N(C)C)c(F)c1	287096855	DJBJWWZETJBOHN-OAHLLOKOSA-N	364.465	2.482	10	10	FECE	
COc1ccc(CNC(=O)[C@H]2CSCN2C(=O)C2CCCC2)c(O)c1	373669204	ZACXIPMQXSFUAZ-OAHLLOKOSA-N	364.467	2.109	10	10	FECE	
C[C@H]1CCN(c2cc3c(cc2N)NC(=O)CC3)C[C@H]1NC(=O)C(F)(F)F	2163117803	FCWBMXKLVJHUQK-TVQRCGJNSA-N	370.375	2.047	10	10	FECE	
CN(C[C@](C)(O)c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	819949794	JRARDHBRLZXGPA-SFHVURJKSA-N	357.366	2.270	10	10	FECE	
Cc1cc(C(=O)CN2CC[C@@H]3CN(C)C[C@@H]32)c(C)n1-c1ccc(F)cn1	829998542	LQGZEGGZLRHHHO-QAPCUYQASA-N	356.445	2.447	10	10	FECE	
Cc1cncc(/C=C\C(=O)N(C)c2ccc(S(=O)(=O)N(C)C)cc2)c1	588602197	KFABWTAHQOBDHA-YHYXMXQVSA-N	359.451	2.317	10	10	FECE	
Cc1cc(C(=O)COC(=O)[C@@H]2CC(=O)N(C)C2)c(C)n1-c1ccc(F)cc1	914919723	OWLHVFLSCULDOA-CQSZACIVSA-N	372.396	2.437	10	10	FECE	
CN(C[C@@]1(Br)CC1(F)F)C(=O)Cc1ccc(O)c(O)c1	2202537474	OTOBVBJTAZTQNC-LBPRGKRZSA-N	350.159	2.271	10	10	FECE	
C[C@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)c1ccc(N2CCOCC2)cc1	745779181	NIUHJYNSLLUYKF-FXAWDEMLSA-N	370.497	2.240	10	10	FECE	
CCOC(=O)[C@H](N)c1cc(Br)cc(Br)c1O	687815203	KOOMGAVMEKCDML-MRVPVSSYSA-N	353.010	2.480	10	10	FECE	
COC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	855222814	AUWWBMYEPBSIFD-YOEHRIQHSA-N	363.458	2.161	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)NC[C@]3(O)C[C@H]4C=C[C@H]3C4)C2)cc1	854188040	VMECJNJMVVMICH-NWZZKEMCSA-N	371.481	2.148	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@@H]3CO[C@H](C4CC4)C3)CC2)cc1	858911620	LWNSXMPNSOUSCW-LPHOPBHVSA-N	359.470	2.484	10	10	FECE	
COc1ccc(N2CCC(NS(=O)(=O)c3ccccc3N)CC2)cc1	767747064	PNWXKURRDMRYDS-UHFFFAOYSA-N	361.467	2.225	10	10	FECE	
COc1cccc(-c2nc(C(=O)NCc3cc(OC)ccc3O)no2)c1	761726249	AMUZFDYGZIUKQN-UHFFFAOYSA-N	355.350	2.389	10	10	FECE	
Cc1cnc(F)c(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)c1	1119448834	NDHLMHCOGXAMKS-UHFFFAOYSA-N	370.428	2.161	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3c4c[nH]nc4CC[C@@H]3C)C2)cc1	880660620	QRGKLSRQQDWHDX-NJSLBKSFSA-N	354.454	2.479	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN(C)C3(C)CCCC3)CC2)cc1	786221854	RMUJFIYELHKBJD-IBGZPJMESA-N	361.530	2.443	10	10	FECE	
C[C@@H](CN1CCOCC1)N(C)C(=O)c1cc2cc(O)c(O)cc2s1	897600722	QWAYXPJDDLNGDZ-NSHDSACASA-N	350.440	2.105	10	10	FECE	
CC(C)(C)OC(=O)NCCc1nc(=N[C@@H]2CCc3cccc(O)c32)[nH][nH]1	2126783496	IIOPIMPWGYGITE-GFCCVEGCSA-N	359.430	2.099	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NCC[C@@H]1CC1(F)F	1329541029	SROFNHPPTASGHJ-UKRRQHHQSA-N	367.440	2.270	10	10	FECE	
CCOC(=O)C1(CC(F)F)CCN(C(=O)Cc2ccc(O)c(O)c2)CC1	1180709860	NMOSCAFDDQPLAE-UHFFFAOYSA-N	371.380	2.467	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)c1nc(NC(=O)c2cccc(O)c2O)n[nH]1	2130118444	FGQFHYBYCBPISL-MRVPVSSYSA-N	363.374	2.054	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1	2132412002	ZKAMPGSCIWGXSL-JQWIXIFHSA-N	366.414	2.227	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCN(c3ccnc(F)c3)CC2)cc1	1449781673	HRXRWHSSCSLPPC-UHFFFAOYSA-N	356.361	2.346	10	10	FECE	
CN(Cc1ccccc1N1CCOCC1)C(=O)Cc1ccc(O)c(O)c1	1293333439	MUSJBJGZXWKJGE-UHFFFAOYSA-N	356.422	2.136	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)C2(C)COC(C)(C)OC2)N(C)C)cc1	1456927312	BKBRDDWVEDUHDI-KRWDZBQOSA-N	363.502	2.261	10	10	FECE	
Cn1nccc1[C@H](O)C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1	1453962843	LOJRPBZVSRPZRA-MRXNPFEDSA-N	370.413	2.168	10	10	FECE	
Cn1cc(/C=C\C(=O)N2CCCn3ncc(NC(=O)OC(C)(C)C)c32)cn1	1462914590	UZTYIZLERWHEMI-SREVYHEPSA-N	372.429	2.414	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(F)(F)C(F)F)CC2)c(OC)c1	1534589149	XZXFPQXHRXPZJR-UHFFFAOYSA-N	350.312	2.253	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CO)(CNCc2ccc3c(c2)CCCO3)C1	2137063996	LJDMRKZYBSERMI-UHFFFAOYSA-N	362.470	2.331	10	10	FECE	
COc1ccc(CNC(=O)/C=C/c2ccc3c(c2)NC(=O)CO3)c(O)c1	1617762482	JCMXYGNAFRSDJD-XVNBXDOJSA-N	354.362	2.061	10	10	FECE	
CN(CCc1ccccc1)[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1	1557397115	YUPDXYRRALGOMU-GOSISDBHSA-N	354.450	2.416	10	10	FECE	
O=C(NC1(c2ncon2)CCOCC1)c1cc2cc(O)c(O)cc2s1	1637184613	JDALPMUZZQCPHK-UHFFFAOYSA-N	361.379	2.131	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1	1630307707	ZUOGBUXRRASQIJ-UHFFFAOYSA-N	368.349	2.181	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)NC3(CCO)CCCCC3)cc2)CC1	1684877557	GVEQEHQNIHYUQY-UHFFFAOYSA-N	374.529	2.323	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cc(C3CCC3)nn2C)cc1F	155722157	ZCIFTYRWZSQDTD-UHFFFAOYSA-N	373.432	2.148	10	10	FECE	
CN(C)c1ccc([C@H](NC(=O)CCCCC(=O)O)c2nccn2C)cc1	1866101173	KCLDFXDQDILMBC-SFHVURJKSA-N	358.442	2.337	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)N2CC([C@H]3CCOC3)C2)N(C)C)cc1	899101128	FFUPJEJRRPHWEY-QFBILLFUSA-N	360.502	2.033	10	10	FECE	
CN1C(=O)C(=Cc2ccc(CNC(=O)OC(C)(C)C)cc2)C(=O)N(C)C1=O	899340327	ACGSORJXMSTFLC-UHFFFAOYSA-N	373.409	2.145	10	10	FECE	
Nc1ccc(CC(=O)N[C@@H]2CCN(C(=O)OCc3ccccc3)C2)cc1	1977672669	OLJZSPUMUIQEEZ-GOSISDBHSA-N	353.422	2.339	10	10	FECE	
C[C@H](NCc1cc(Br)cc(F)c1O)[C@@H]1CCS(=O)(=O)C1	2146102823	IVBFGTOMCVHUDZ-DTWKUNHWSA-N	366.252	2.207	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(F)cc(F)c2O)[C@@H](O)C1	883196764	VRYRUZSNEXGGSM-KBPBESRZSA-N	358.385	2.130	10	10	FECE	
Nc1ccc(O)c(CNS(=O)(=O)[C@H]2C[C@H](OCc3ccccc3)C2)c1	2043138077	PEFVURAXVMQCIS-QAQDUYKDSA-N	362.451	2.142	10	10	FECE	
COC(=O)[C@H](CNC(=O)OC(C)(C)C)NCc1ccc2c(c1)CCCO2	2104273169	FBBUUJAXFCSOQO-HNNXBMFYSA-N	364.442	2.168	10	10	FECE	
Cc1cc(NS(=O)(=O)c2c(Br)cnn2C)cc(C)c1O	2208566145	ABDYWIMOBIBZFR-UHFFFAOYSA-N	360.233	2.306	10	10	FECE	
C[C@H](CNCc1ccccc1O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1	2222493514	WZZZZVZKNDMJHH-AUUYWEPGSA-N	350.459	2.490	10	10	FECE	
CC[C@@H](C)N1C(=O)C(=Cc2cnn(-c3ccccc3)c2)C(=O)NC1=S	2297361505	JVOMQECGXWSYCH-GFCCVEGCSA-N	354.435	2.298	10	10	FECE	
CC(C)(C)OC(=O)N(CCCO)CCC(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2319870852	UMMRBBMHDMPJNP-CYBMUJFWSA-N	355.439	2.297	10	10	FECE	
CC(C)(C)OC(=O)N1CC(OCCNC(=O)Nc2ccc(N)cc2)C1	2315505758	HZLCIJDQVYGDOR-UHFFFAOYSA-N	350.419	2.026	10	10	FECE	
CN1CCc2cc(CNCCOC3CN(C(=O)OC(C)(C)C)C3)ccc21	2337264815	ZVOJHNNWIBFAFJ-UHFFFAOYSA-N	361.486	2.404	10	10	FECE	
COC(=O)CCCNC(=O)CN1CCCc2cc(OC(F)(F)F)ccc21	29923501	DFLSEFTXPXXTFN-UHFFFAOYSA-N	374.359	2.407	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N2CCCN(C)c3ccc(F)cc32)c1	122816394	WEIVDTRJHODYNA-QPJJXVBHSA-N	368.412	2.467	10	10	FECE	
C[C@@H]1Oc2ccc([N+](=O)[O-])nc2N(CCCOc2ccc(N)cc2)C1=O	75259534	HHCAOVJNPFPOIQ-NSHDSACASA-N	358.354	2.155	10	10	FECE	
CC[C@@H](C)NC(=O)c1cnc(N2CCN(c3ccc(OC)cc3)CC2)nc1	244148817	UTQWCWPAZSDKKL-OAHLLOKOSA-N	369.469	2.340	10	10	FECE	
CCOC(=O)CN(C(=O)/C=C\c1ccc(N2CCOCC2)cc1)C1CC1	255388497	MWWLBDXCDNNRMB-YHYXMXQVSA-N	358.438	2.091	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3CCCC[C@@H]3[C@@H]3CNC(=O)C3)ccc21	371227471	CYODWBBNDRAJFT-PKOBYXMFSA-N	370.497	2.269	10	10	FECE	
Cc1ccc(CNC[C@H]2C[C@H](S(C)(=O)=O)C2)c(O)c1Br	2380798891	UEJYALMLTWILAA-UMSPYCQHSA-N	362.289	2.376	10	10	FECE	
Cc1cn(C)nc1C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	839718202	RBGFZNDQFYDNBQ-UHFFFAOYSA-N	367.497	2.191	10	10	FECE	
CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc(F)cc(C(C)=O)c2O)C1	830673919	HSBGZLRLRUJUKL-HNNXBMFYSA-N	362.323	2.234	10	10	FECE	
C[C@H]1CCCc2nc(S(=O)(=O)Nc3ccc(O)c([N+](=O)[O-])c3)cn21	841677595	UOMRCTYJFRZCSZ-VIFPVBQESA-N	352.372	2.195	10	10	FECE	
COC(=O)N1CC(N[C@H](C)c2cc(Br)cc(OC)c2O)C1	848536929	YFBNCGXXVLPNSE-MRVPVSSYSA-N	359.220	2.265	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCNC[C@@H]1c1cccnc1	841832362	MIYNXHAJVQVNRU-HXUWFJFHSA-N	363.465	2.314	10	10	FECE	
Cc1cc(O)c(CNC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c(Cl)c1	840902713	SJVOHUGFLDDGEQ-DIFFPNOSSA-N	351.834	2.164	10	10	FECE	
Cc1cc(C(=O)NC[C@]2(C(=O)O)CCCOC2)c(C)n1-c1ccccn1	910305135	GDIBYQRVMCQFNP-LJQANCHMSA-N	357.410	2.100	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H]3CCN(C(C)C)C3)C2)cc1	852186840	IPIOSNRVYIGXOV-DLBZAZTESA-N	360.502	2.303	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)NC3CC(CC(N)=O)C3)c2C)cc1	928047826	OXMMEEGFPFUNRS-UHFFFAOYSA-N	355.438	2.487	10	10	FECE	
CCN(C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@H]1CCN(C)C1	853487859	ZBQASRYYHNZQHA-LPHOPBHVSA-N	360.502	2.320	10	10	FECE	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NC[C@H](C)S(N)(=O)=O)c2C)c1	768603444	CIDZXQNXFUZLLR-AWEZNQCLSA-N	363.483	2.118	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@@]2(C)C(=O)NC(=O)[C@@]2(C)C1	869996516	FZOXKVIQHPTUQM-KDURUIRLSA-N	371.462	2.280	10	10	FECE	
CCOC(=O)[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCC1(F)F	870920530	XRMWYMJEMHLSQB-RNZFLTOJSA-N	355.337	2.158	10	10	FECE	
CCc1nc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)no1	775377909	PDUHRXCUPYMUKW-RYUDHWBXSA-N	362.405	2.315	10	10	FECE	
Cn1cc(CCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nn1	1125162391	RDMQFYJCPXMADY-UHFFFAOYSA-N	360.373	2.162	10	10	FECE	
COCCN(Cc1ccnn1C)C(=O)NCc1ccc2c(c1)CCCN2C	787124205	CBTFWPUFKKKVJG-UHFFFAOYSA-N	371.485	2.161	10	10	FECE	
COC(=O)c1c(CN2CCC[C@H](OCCO)C2)c2cc(F)ccc2n1C	894016297	ABWAAALQGYYNCR-AWEZNQCLSA-N	364.417	2.077	10	10	FECE	
Cc1ccnc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n1	791527823	UKKAJFIPFSVRMK-ZIAGYGMSSA-N	358.417	2.468	10	10	FECE	
CCNCc1ccc(N(C)CCCS(C)(=O)=O)c(Br)c1	694169636	DIAOWWKJKQSGBF-UHFFFAOYSA-N	363.321	2.430	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@H]1CCCCN1C(=O)c1cccs1	1176748587	XAWSNLWKTKZNMA-CQSZACIVSA-N	360.435	2.470	10	10	FECE	
CON(C)c1nnc(C2CC2)n1Cc1ccc(N2CCOCC2)c(F)c1	1505094733	JRLQZCYRKNRVNO-UHFFFAOYSA-N	361.421	2.177	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(O)ncn1	1465849401	ZNBLOPJUSNXFMY-UHFFFAOYSA-N	352.188	2.313	10	10	FECE	
CS(=O)(=O)Nc1ccc(F)cc1C(=O)N1Cc2cccc(O)c2C1	1471355434	IRWZDKVCXHASMR-UHFFFAOYSA-N	350.371	2.059	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-n2ccnn2)ccc1F	1611431826	SZBUZWLTDZFTMQ-LLVKDONJSA-N	356.357	2.179	10	10	FECE	
COC(=O)[C@H]1CN(Cc2ccc(N3CCCCC3)c(C)c2)C[C@@H]1C(=O)OC	1620665600	OCBHURYAUQXTKC-ROUUACIJSA-N	374.481	2.379	10	10	FECE	
Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1ccc(N=NC(N)=O)cc1	1632005397	FZCFTDIURVLZRR-AWEZNQCLSA-N	356.386	2.403	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2CNC(=O)c1cccc(O)c1O	2140674768	IEYUWMCRXBDEOV-SCRDCRAPSA-N	362.426	2.473	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2CNC(=O)c1ccc(O)c(O)c1	2140677572	RRDXZAWCZAFXBY-MJBXVCDLSA-N	362.426	2.473	10	10	FECE	
O=C1/C(=C\c2cc(F)cc(F)c2)SC(=S)N1CCN1CCOCC1	157384063	BZEVTUQDFJOELN-NTEUORMPSA-N	370.446	2.498	10	10	FECE	
CCN(CC)c1ccc(CNCCC(=O)NCCCn2ccnc2)cc1	1857859318	JQUBFXPIZPQZHO-UHFFFAOYSA-N	357.502	2.416	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(Cc2ccc(F)cc2O)C1	1972300410	GYKKRVGNQVDNBM-KBPBESRZSA-N	368.405	2.474	10	10	FECE	
Nc1ccc(NC(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)cc1	1999442241	RZZLROUSQZGXAK-UHFFFAOYSA-N	368.437	2.162	10	10	FECE	
COc1cc(Cl)cc(CN[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c1O	2032630096	MEOKWHBTYNXKID-STQMWFEESA-N	372.849	2.436	10	10	FECE	
O=C(O)[C@H]1CO[C@@H](CNCc2cc(Cl)cc(Br)c2O)C1	714007773	LIYVQCSESJWOPK-PSASIEDQSA-N	364.623	2.387	10	10	FECE	
C[C@@H](NC(=O)c1ccc(O)c(O)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1	2054412077	DLEZVINPWORBMR-YPMHNXCESA-N	350.415	2.473	10	10	FECE	
CO[C@H]1C[C@H](C(=O)N2CCC[C@H](N=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060613519	RWTPECYGXDWXKT-RWMBFGLXSA-N	353.423	2.312	10	10	FECE	
C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060640780	YRYNWQWKJZWIQQ-AGIUHOORSA-N	353.423	2.312	10	10	FECE	
Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=NCc1cccc(Cl)c1O	2063124227	GGEZDPRGKAVEAK-UHFFFAOYSA-N	367.837	2.233	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)CCOc1ccc(N)cc1	2106232149	ISGQEIDDXFPIQR-BBRMVZONSA-N	363.458	2.409	10	10	FECE	
[N-]=[N+]=NCCCNC1(C(N)=O)[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2	2111470530	BWMDLJIUVGXWJU-IRXDYDNUSA-N	356.474	2.433	10	10	FECE	
O=C(Cc1cnn(Cc2ccccc2)c1)NCCc1ccc(O)c(O)c1	2093028443	UCYJJKVOHZZUFS-UHFFFAOYSA-N	351.406	2.244	10	10	FECE	
Nc1ccc(NC(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)cc1	2097696028	KUZNABYLKUMCIZ-RBUKOAKNSA-N	352.438	2.386	10	10	FECE	
Nc1ccc(OCCC(=O)N[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)cc1	2099676724	RWPVBVAWYJBBLQ-DYESRHJHSA-N	351.450	2.428	10	10	FECE	
CCOC(=O)C1=C(C)N(CCOC)C(=O)C1=Cc1ccc2c(c1)OCO2	2296756814	OCIYAONYOFHAAA-UHFFFAOYSA-N	359.378	2.124	10	10	FECE	
CSCC[C@H](C(=O)O)N1C(=O)C(=Cc2cccn2C)SC1=S	2296882989	HPHYVEJFFVYTJV-SNVBAGLBSA-N	356.494	2.433	10	10	FECE	
O=C1NC(=O)N(C2CCCCCC2)C(=O)C1=CNc1ccc(C(=O)O)cc1	2296943219	NVUGHCCCGOPLMN-UHFFFAOYSA-N	371.393	2.482	10	10	FECE	
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3[N+](=O)[O-])C2=O)cc1	2297219033	FXLKNNQWUAUHQO-UHFFFAOYSA-N	367.317	2.270	10	10	FECE	
COc1ccc(C(C)=C2SC(=S)N(CCS(=O)(=O)O)C2=O)cc1	2297478201	LSOVASKVZGFXFN-UHFFFAOYSA-N	373.477	2.174	10	10	FECE	
CN1CCC[C@H](CN(C)C(=O)C=Cc2ccc(N3CCOCC3)cc2)C1	2297583491	GLXNOYBSCNTHSZ-IBGZPJMESA-N	357.498	2.337	10	10	FECE	
COc1ccc(C=C2SC(=S)N(CCNC(C)=O)C2=O)cc1OC	2323719654	PBBCQFZWXWLTNX-UHFFFAOYSA-N	366.464	2.041	10	10	FECE	
CCn1ncc(I)c1NC(=O)Cc1ccc(N)cc1	2353685896	RKMPBSFCDRPEIB-UHFFFAOYSA-N	370.194	2.271	10	10	FECE	
O=S(=O)(c1ccccc1F)N1CCN(Cc2cc(F)ccc2O)CC1	179878182	FOJBCQOKDIWECI-UHFFFAOYSA-N	368.405	2.177	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1C[C@H]2OCCC[C@H]12	188016565	MVEPNLYLDWQWBR-VAMGGRTRSA-N	373.497	2.262	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H]1CCCCN1C(=O)c1cccnc1	120245187	SIKZSXBCPZDTOC-QGZVFWFLSA-N	353.422	2.441	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@H](N)C(F)(F)F	1952353004	KTPGEVRAYMYXHN-SKDRFNHKSA-N	350.337	2.423	10	10	FECE	
C[C@@H]1CCCN(S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1	245775010	ABCXLVQSAYIHBG-NVXWUHKLSA-N	368.499	2.350	10	10	FECE	
COc1ccc(N2CCN(C(=O)CC(=O)N3CCCCCC3)CC2)cc1	243683638	PIEWWNJXEIUTHX-UHFFFAOYSA-N	359.470	2.137	10	10	FECE	
COc1cc(O)c(CN2CCCC[C@H]2CCS(C)(=O)=O)cc1OC	366532267	CEFMSUNLJNVFTF-AWEZNQCLSA-N	357.472	2.199	10	10	FECE	
COc1ccc(CNC(=O)NC2CCN(c3ccccn3)CC2)c(O)c1	375668234	DQHMFLNJHOIIKF-UHFFFAOYSA-N	356.426	2.264	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCC1CCC(OC)CC1	806947070	ZGBGZJFYAXVDLH-UHFFFAOYSA-N	362.470	2.452	10	10	FECE	
Cc1csc([C@@H](C)NC(=O)C(=O)NCCCSc2nccs2)n1	804502005	IYIUPBKTYWEADK-SNVBAGLBSA-N	370.525	2.384	10	10	FECE	
CNC(=O)[C@@H]1CCN(CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1	817282884	MBKKQTSQVWMFQI-OAHLLOKOSA-N	357.429	2.484	10	10	FECE	
CCN(CC)c1ccc(CN2CCN([C@@H]3CCNC(=O)CC3)CC2)cc1	825147415	FXGUTMMESUNEOR-FQEVSTJZSA-N	358.530	2.319	10	10	FECE	
COc1ccc(O)c(CNC(=O)[C@H]2CSCN2C(=O)c2ccccc2)c1	734016118	LAMHLGMDDGGENO-MRXNPFEDSA-N	372.446	2.232	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc([C@H]2CCC(=O)N2)cc1	907275028	VHBJADOJLXRVRX-BLLLJJGKSA-N	354.406	2.410	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)NCc3ccccc3O)[C@H]2C1	915525524	PYUFTSMKSLPPSI-QKDCVEJESA-N	361.442	2.304	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)NCC[C@]3(O)CCOC3)c2C)cc1	846443775	DIYMMQVMTVQFNU-FQEVSTJZSA-N	358.438	2.374	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN3CC[C@]4(C3)CC4(F)F)CC2)cc1	844467092	JTERBSSEUVKGBB-GOSISDBHSA-N	365.424	2.075	10	10	FECE	
CO[C@@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)[C@](C)(C(=O)O)C1	910262594	IEYLBHORLFEYND-LIRRHRJNSA-N	357.410	2.193	10	10	FECE	
COC(=O)[C@@H]1CSCCN(Cc2cc(Br)ccc2O)C1	840975817	AMNZBIGMIZEWPM-NSHDSACASA-N	360.273	2.493	10	10	FECE	
CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)NCc1ccc(N2CC=CC2)cc1	840303465	BWUMGCIKWVMONN-KRWDZBQOSA-N	356.470	2.261	10	10	FECE	
Cc1ccc(C(=O)N2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1O	856330478	ABMUNGBOBXURFP-CHWSQXEVSA-N	368.405	2.484	10	10	FECE	
C[C@@H]1O[C@H](C)[C@@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@@H]1C	858154625	NHZZOKUNAJEMQG-NPSOMJIGSA-N	365.449	2.273	10	10	FECE	
COC(=O)C[C@H](CNC(=O)N[C@@H](C)c1cc(OC)ccc1O)C1CC1	852605463	SUOULSJMRHSQJP-WCQYABFASA-N	350.415	2.350	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3c[nH]nc3[C@@H]3CCCO3)CC2)cc1	864470540	JTYSUSHYHXYPFR-KRWDZBQOSA-N	356.426	2.232	10	10	FECE	
COCCOc1ccc(F)cc1S(=O)(=O)N1Cc2cccc(O)c2C1	867690580	JFQGIGPXYZBFNO-UHFFFAOYSA-N	367.398	2.261	10	10	FECE	
Cc1cc(CNC(=O)C(=O)N2CC[C@@]23CCOC3)c(C)n1-c1ccccc1	1118891489	VHWHLFSDZRAGKC-NRFANRHFSA-N	367.449	2.102	10	10	FECE	
COC(=O)c1c(CN2CCO[C@H](C(=O)C3CC3)C2)c2cc(F)ccc2n1C	894683192	MROFHDNVHOQQLC-KRWDZBQOSA-N	374.412	2.284	10	10	FECE	
COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)N[C@H](C)c3cc(OC)ccc3O)[C@@H]2C1	897719731	TWONOPNFLPCHEY-BQJFBPGXSA-N	362.426	2.349	10	10	FECE	
Cc1cc(C(=O)COC(=O)C2COC2)c(C)n1-c1ccc2c(c1)OCO2	785774224	UAXKKWPGLSQEKO-UHFFFAOYSA-N	357.362	2.195	10	10	FECE	
C[C@H](NC[C@]1(NC(=O)OC(C)(C)C)CCOC1)c1ccc(O)cc1O	688538178	UXOQEYVFNMUBHP-KPZWWZAWSA-N	352.431	2.432	10	10	FECE	
Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1CCOCCCO	1304794038	JRHNVTXZQBFVHL-UHFFFAOYSA-N	373.501	2.222	10	10	FECE	
COc1cc(NS(=O)(=O)c2ccc(NC(C)=O)c(F)c2)ccc1O	1322526371	IUDNNSJDHLQQSG-UHFFFAOYSA-N	354.359	2.299	10	10	FECE	
COc1ccc(CNCCCN(C)C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1C	1268798120	CBBKWBDDADRJSM-IAGOWNOFSA-N	356.470	2.469	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C1CC2(C1)CS(=O)(=O)C2	1348612984	ZDKPZUCBAMSIOT-UHFFFAOYSA-N	351.468	2.346	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC(c3ccc(F)cc3)C2)c1	1450141486	NZZPRLMROLMTRG-UHFFFAOYSA-N	364.398	2.142	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@H](F)C1	2136257058	VVWWAMFREAUCDB-STQMWFEESA-N	368.405	2.104	10	10	FECE	
CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O	1465386415	AVDRUUKMRVMNMD-ZIAGYGMSSA-N	366.443	2.277	10	10	FECE	
Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)c(OCC(=O)N(C)C)c1	1625466889	HWQSPXRIXQNTNK-UHFFFAOYSA-N	358.394	2.054	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@@H]4C[C@H](C)CN4C3)CC2)cc1	1631277233	MSPKXMPQOQCJDK-YQVWRLOYSA-N	357.498	2.464	10	10	FECE	
COc1ccc(N2CCC(NC(=O)Cc3nc(C4CC4)n[nH]3)CC2)cc1	1632044548	OTAQBZLBSPFOLH-UHFFFAOYSA-N	355.442	2.018	10	10	FECE	
C[C@H](NS(=O)(=O)c1cccs1)C(=O)NCc1cc(Cl)ccc1O	1644590814	QDFBBTPJZGHOIL-VIFPVBQESA-N	374.871	2.090	10	10	FECE	
Cc1nc(COc2ccc(C(=O)NCc3ccc(O)cc3O)cc2)no1	1643101104	VUDHRFFSAPPWHF-UHFFFAOYSA-N	355.350	2.298	10	10	FECE	
CC(C)(C)OC(=O)N1CCSC[C@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2010405299	HNARMNDSVNHRHU-NEPJUHHUSA-N	355.464	2.498	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CCN1C(=O)c1ccn(-c2ccc(N)cc2)n1	2162984434	AYACIAHBVJRYQP-OAHLLOKOSA-N	371.441	2.194	10	10	FECE	
CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C[C@](C)(O)CO	2049129986	LEKGRVNEGYZNJY-IBGZPJMESA-N	350.459	2.207	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(OCCC(=O)C(=O)C[C@H]2C[C@H](N)C2)CC1	2112563469	SWZGRHMMPSJXFB-HDJSIYSDSA-N	368.474	2.058	10	10	FECE	
CS(=O)(=O)[C@H](CNCc1cc(Br)cc(F)c1O)C1CC1	2232826404	HIKDZXHVKTWYSV-GFCCVEGCSA-N	366.252	2.207	10	10	FECE	
COC[C@@](CNC(=O)OC(C)(C)C)(Oc1ccc(N(C)C)cc1)C(=O)O	2229373362	LFVOURGCNXRQAY-GOSISDBHSA-N	368.430	2.126	10	10	FECE	
CC(C)(C)OC(=O)N1CCOCC[C@@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2257617123	QFQVXNWYCFEQBK-CHWSQXEVSA-N	353.423	2.314	10	10	FECE	
CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(C(=O)O)cc2)SC1=S	2314929190	IPGIUZOPZSSHRB-JTQLQIEISA-N	351.405	2.449	10	10	FECE	
C[C@H](Oc1cccc(C=C2SC(=S)N(CCCO)C2=O)c1)C(=O)O	2314930132	XXSTYTNFTOSMOD-JTQLQIEISA-N	367.448	2.122	10	10	FECE	
CC(C)[C@@H](CO)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92452445	WACWQZFYWYWTLH-HXUWFJFHSA-N	374.529	2.035	10	10	FECE	
O=C(C[C@H](O)c1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1	91169793	UPOCEDWWEXNNHD-IBGZPJMESA-N	358.413	2.402	10	10	FECE	
O=C(Cn1ncc2ccccc21)NCc1ccc(N2CCOCC2)cc1	264465272	RMDOEIZMXYEFFL-UHFFFAOYSA-N	350.422	2.189	10	10	FECE	
COc1ccc(CNC(=O)CN(C)c2cc(OC)c(OC)c(OC)c2)cc1	266026788	YOTNPKQWROVRCA-UHFFFAOYSA-N	374.437	2.474	10	10	FECE	
Nc1ccc(O)c(CN2C[C@@H]3[C@@H]4CC[C@@H](CN4C(=O)C(F)(F)F)[C@H]3C2)c1	2162970331	XSSISSUNUVAICY-PUPMMZHASA-N	369.387	2.206	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)C3(C)C[C@@H]4C[C@H]4C3)cc2)CC1	816379555	QSVUCEOUNSQBSL-ROUUACIJSA-N	355.482	2.408	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](C)Cn2cncn2)CCCC1	651122149	GQZOAYFMTKBKMA-CQSZACIVSA-N	367.453	2.325	10	10	FECE	
CO[C@@H]1CCCC[C@@H]1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	815378589	CLMDYCUWZMQSMU-ZWKOTPCHSA-N	362.470	2.459	10	10	FECE	
COc1cccc(CNC(=O)C(=O)Nc2cc(F)cc(F)c2F)c1O	815510501	ZEWPWODKFSMMMG-UHFFFAOYSA-N	354.284	2.073	10	10	FECE	
Cc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1C(=O)N1CCOCC1	830688200	LJDWGFJDTWEYRF-UHFFFAOYSA-N	374.368	2.270	10	10	FECE	
O=C(NCc1c(O)cccc1F)N[C@H]1CCN(Cc2ccccc2)C1=O	915170920	GZESBSBRNBUXCS-INIZCTEOSA-N	357.385	2.132	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N[C@H](CO)c3cncn3C)c2C)cc1	912614039	IXXYBRQYHPMYQF-GOSISDBHSA-N	368.437	2.300	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)Cn2cnc3c2CCCC3)cc1	846441645	BQWALXYUUPQGCI-UHFFFAOYSA-N	356.470	2.365	10	10	FECE	
C[C@@H](NC(=O)C(=O)NCCc1ccc(N)cc1)C1CCC(F)(F)CC1	848613557	KUQDFSOSIMFXTO-GFCCVEGCSA-N	353.413	2.258	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C(=O)O)C2)cc1	849182159	BRFBZQMPRHRABQ-UNTXSKPGSA-N	370.449	2.303	10	10	FECE	
COC1CCN(c2ccc(CN3CCN(c4ncns4)CC3)cc2)CC1	852127527	UCDYIGVPOPIHHW-UHFFFAOYSA-N	373.526	2.476	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)C2)cc1	852139165	LNFHMSBJQBGCTQ-RUGDWHBFSA-N	359.470	2.387	10	10	FECE	
O=C(NCc1c(O)cccc1F)[C@H]1CCCN1C(=O)OCC(F)(F)F	928712217	OVFPKQZOLUPFRR-LLVKDONJSA-N	364.295	2.311	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Cc3cn4c(n3)CCCC4)C2)cc1	855223455	HJJXMZJVBXNUGN-HNNXBMFYSA-N	354.454	2.166	10	10	FECE	
Cc1cc(C(=O)CN2CCN3CCOC[C@@H]3C2)c(C)n1-c1ccc(F)cc1	755212610	RKPNPGYQPMKVAK-IBGZPJMESA-N	371.456	2.432	10	10	FECE	
C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@H](C(F)(F)F)O1	761908805	UWRNDPBAKKLIHS-JMCQJSRRSA-N	361.276	2.082	10	10	FECE	
COc1ccc(N2CCN(CN3C[C@@H](C(F)F)CC3=O)CC2)cc1F	795433481	APDLGJOIAZGHEL-LBPRGKRZSA-N	357.376	2.027	10	10	FECE	
CCc1cccc(CNC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1O	702849146	SCPKXIXERRWLRK-CVEARBPZSA-N	350.459	2.272	10	10	FECE	
C[C@H](NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1cc(F)ccc1O	705767708	QGUHQRLNBTZHIR-MQIPJXDCSA-N	354.422	2.410	10	10	FECE	
COC(=O)N1CCC[C@H]([C@H](C)NC(=O)NCc2ccc(OC)cc2O)C1	793062665	SRDXJCHNCPSLFK-JSGCOSHPSA-N	365.430	2.067	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)C[C@@H]1CO	2122353535	YSKWCFKFRWOXDL-IUODEOHRSA-N	364.446	2.008	10	10	FECE	
Cn1ncc(CNC(=O)OC(C)(C)C)c1NCc1ccc(O)c(O)c1O	2126510188	HDESFOYRNYQRDY-UHFFFAOYSA-N	364.402	2.174	10	10	FECE	
O=C(C(=O)N1Cc2cccc(O)c2C1)N1CCC([C@@H]2CCCCO2)CC1	1348663687	XXVRXVUCXFYXJE-SFHVURJKSA-N	358.438	2.042	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H](C)c2ccncc2)cc1	1349059384	ZXKPINFOUSQAKX-MRXNPFEDSA-N	368.481	2.464	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1	2132416939	AVQJKPGGBIQXGY-PWSUYJOCSA-N	366.414	2.227	10	10	FECE	
C[C@@H](NC(=O)N1C2CCC1(CO)CC2)c1ccc(N2CCOCC2)cc1	1354148991	JRERVQGBIIOPJL-MYWSLZCHSA-N	359.470	2.283	10	10	FECE	
COc1cccc(CNC(=O)NCCCONC(=O)OC(C)(C)C)c1O	1471457845	PIBYFFYJZIFQBL-UHFFFAOYSA-N	369.418	2.046	10	10	FECE	
C[C@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccn1	1543379229	ZXGMUYIAROMCRZ-RDJZCZTQSA-N	366.465	2.203	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(O)cn3)cc2F)C[C@H](C)O1	1543233893	SVXJAYXYBFNBEY-STQMWFEESA-N	359.401	2.470	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cccnc1OCCO	1557063108	FDEDVIBESDOQIZ-HNNXBMFYSA-N	357.454	2.188	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)c2cc(N(C)C)ccn2)N(C)C)cc1	1647081250	JSYPHWRIEXRBMM-IBGZPJMESA-N	355.486	2.246	10	10	FECE	
Cc1cc(C=O)c(O)c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1	1597493333	HEHJDJUJMHKKCU-UHFFFAOYSA-N	354.406	2.280	10	10	FECE	
CC[C@@](C)(CNC(=O)N1CCN(c2ccc(OC)cc2OC)CC1)OC	1686545364	UKSISDGPFXJIFY-IBGZPJMESA-N	365.474	2.351	10	10	FECE	
COc1cc(/C=C2\C(=O)N(c3nc(C)cc(=O)[nH]3)N=C2C)cc(Cl)c1O	16266707	JZLRSZLIXVCUCV-WZUFQYTHSA-N	374.784	2.252	10	10	FECE	
CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C2\C(=O)Nc3ccccc32)SC1=S	1774335	IVAGRMBXBDRWGL-OCUQMRJBSA-N	362.432	2.319	10	10	FECE	
CCOc1cccc(CNCC(=O)Nc2nnc(C(C)C)s2)c1O	1857854109	OWBJOUWAXDMGFY-UHFFFAOYSA-N	350.444	2.494	10	10	FECE	
Nc1ccc(NC(=O)NC[C@]2(O)CCCN(Cc3ccccc3)C2)cc1	1876152526	HGOGQRRTPNLZCP-HXUWFJFHSA-N	354.454	2.417	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C[C@H](O)C1(C)C	1879107686	VEAKANHAOVCBAH-PEBVRCNWSA-N	367.450	2.342	10	10	FECE	
CN(C)c1ccc([C@H](CN)N2CCOCCN2C(=O)OC(C)(C)C)cc1	1881002378	HXWZQHDHXBBMHJ-KRWDZBQOSA-N	364.490	2.237	10	10	FECE	
C[C@H](O)CN(CCN[C@@H](C)c1c(O)cccc1O)C(=O)OC(C)(C)C	310604260	BOQGIMPIHPBCSH-STQMWFEESA-N	354.447	2.366	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CCO)(NCc2cc(F)cc(F)c2O)C1	708485709	NATVWMLRBHOIMF-UHFFFAOYSA-N	358.385	2.132	10	10	FECE	
CNCc1ccc(N2CCC[C@@H](S(C)(=O)=O)C2)c(Br)c1	380469106	QQYWNOKQOHYYME-GFCCVEGCSA-N	361.305	2.182	10	10	FECE	
COc1ccc(O)c([C@H](C)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1	866493594	WUGHDTMACRRESK-NUTKFTJISA-N	366.458	2.422	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CNC1CN([C@@H]2CCOC2)C1	2169351035	BDDSDWQJNNZQDW-GFCCVEGCSA-N	361.667	2.371	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2060615901	UIZHXPYWSLPXJZ-JHJVBQTASA-N	353.423	2.048	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)CO1	2060610366	HCXLCABUYFSRPX-XQQFMLRXSA-N	353.423	2.218	10	10	FECE	
CO[C@]1(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)CCN(C(=O)OC(C)(C)C)C1	2060616684	DPSIMNPEYIQOCF-BLLLJJGKSA-N	353.423	2.314	10	10	FECE	
CO[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCCCCN=[N+]=[N-]	2063954443	CADNACUKMWALAA-STQMWFEESA-N	355.439	2.465	10	10	FECE	
C[C@H](F)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	2069845696	RUMZKZSPCUEFIX-HZMBPMFUSA-N	356.394	2.008	10	10	FECE	
COc1cccc(O)c1CN[C@H]1[C@H]2OCC[C@@H]2[C@H]1NC(=O)OC(C)(C)C	2104431676	HHCFRBXUNWDMJM-AHBIMHKDSA-N	364.442	2.171	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@H]4[C@H](O)C[C@H]4C3)ccc(N)c2C1	2095036008	RBZUEZPWXNISRP-WPKBUWHJSA-N	359.470	2.379	10	10	FECE	
CC(C)(C)OC(=O)N1CCOCC[C@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2257617135	QFQVXNWYCFEQBK-STQMWFEESA-N	353.423	2.314	10	10	FECE	
Cc1cccc(CNCC(F)(F)C2(O)CN(C(=O)OC(C)(C)C)C2)c1O	2272871201	LXTCWXXNAGQXKK-UHFFFAOYSA-N	372.412	2.407	10	10	FECE	
CC(C)[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(O)c(O)c2)SC1=S	2296318991	XPTBCUSOMKPWCT-LBPRGKRZSA-N	353.421	2.408	10	10	FECE	
COc1cc(C=C2C(=O)NN(c3cccc(C)c3)C2=O)cc([N+](=O)[O-])c1O	2297361019	OVGKGOCKQDNRIG-UHFFFAOYSA-N	369.333	2.079	10	10	FECE	
COC(=O)[C@@H](NC(=O)C=Cc1cc(C)n(-c2ccc(C)cc2)c1C)[C@H](C)O	2309453792	AVPVDIWJFVDDFY-JXFKEZNVSA-N	370.449	2.454	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])CO1	2312333878	DOKHNVPSMTZDND-LPWJVIDDSA-N	353.423	2.264	10	10	FECE	
C[C@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(O)c(O)cc2C1	2341198243	WKGRVCXFPOHGMZ-WLRWDXFRSA-N	362.426	2.286	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1N(c1cc3c(cc1N)OCC(=O)N3)C2	2356122796	LYNTWWAQJAOWEJ-OMXAPOSASA-N	374.441	2.092	10	10	FECE	
NC(=O)c1cncc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1	301596679	ZKPYMGNGVUVQJR-LLVKDONJSA-N	363.368	2.258	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)Cn3nnnc3C(C)C)cc2)CC1	174208158	UKNZFQPXZPPTKW-UHFFFAOYSA-N	356.474	2.349	10	10	FECE	
CN1C(=O)CC[C@@H](C(=O)NCCc2ccc(O)c(O)c2)[C@@H]1c1ccccc1	179093770	ZBSXEYKHNCQYEN-UZLBHIALSA-N	368.433	2.366	10	10	FECE	
COc1ccc(N2CCC(NC(=O)c3ccc4nnn(C)c4c3)CC2)cc1	183679250	UUXYRXRJJOHQTC-UHFFFAOYSA-N	365.437	2.376	10	10	FECE	
COc1ccc([C@H](NC(=O)c2cccc(O)c2O)c2nccn2C)cc1	192962321	SIDRPRIOXPHXNM-INIZCTEOSA-N	353.378	2.359	10	10	FECE	
C[C@@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1n1ccnc1	246681003	VVHHGEYCBKSPJS-YLJYHZDGSA-N	369.513	2.491	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)NCc2cc(Br)ccc2O)CCN1C	805187852	YFNVQBWWTVXBHF-ZWNOBZJWSA-N	356.264	2.437	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)N1C[C@H]2CCCC[C@@H]2C1	806279305	KZWRGKUCZUJILH-CHWSQXEVSA-N	353.513	2.390	10	10	FECE	
COC[C@@H](C(N)=O)N(C)C(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C	817941690	ZVGSPTUCWLLDFU-SFHVURJKSA-N	357.454	2.283	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC2(O)CCC2)C1	573066929	TYUGKLUEAWIITB-UHFFFAOYSA-N	355.482	2.439	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CC[C@H](Nc3ncccn3)C2)cc1F	826019615	IDBBNHJIIWWZGO-AWEZNQCLSA-N	358.421	2.078	10	10	FECE	
CCn1nc(C)cc1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	726018354	QNNPRXHOYLEVHA-UHFFFAOYSA-N	358.442	2.093	10	10	FECE	
CC1(C)COC[C@@H]1NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	838700068	DAPVYFLOHQGOFI-HNNXBMFYSA-N	369.412	2.026	10	10	FECE	
CO[C@H](C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1)C1CCCC1	832793614	CTQDFKIVPWARSC-FQEVSTJZSA-N	373.497	2.177	10	10	FECE	
CCn1cnc(S(=O)(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1	841569428	LFZOYBHJEJFVTR-AWEZNQCLSA-N	350.488	2.187	10	10	FECE	
COc1cc(Br)cc([C@H](C)NCCCn2ccnn2)c1O	848545535	YINOXGXNMIFVTG-JTQLQIEISA-N	355.236	2.496	10	10	FECE	
Cc1cc(O)c(CN2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1C(C)C	842631686	GGUGANNWHPKAGH-GOSISDBHSA-N	353.484	2.214	10	10	FECE	
CCN(CC)c1ccc(CNS(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)cc1	849370636	IWKVUMDQQQOREL-SJLPKXTDSA-N	370.515	2.004	10	10	FECE	
Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1nc(-c2cnn(C)c2)cs1	743049256	FNTQLLOHNGKMEW-UHFFFAOYSA-N	372.863	2.040	10	10	FECE	
O=C1CNC(=O)N1Cc1ccc(CNCc2ccc3c(c2)CCCO3)cc1	922318434	VFGUYAGJQVOTIB-UHFFFAOYSA-N	365.433	2.353	10	10	FECE	
CC(=O)C(=O)COC(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@H]2C	924147065	YRQDZOXHPPLWHN-NSHDSACASA-N	364.398	2.115	10	10	FECE	
COC(=O)c1cnc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)s1	924961415	VRCRHVZCPDDXDH-UHFFFAOYSA-N	362.455	2.337	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC[C@H](C2CCNCC2)C1	852754566	VSERPPKCOMNQHN-FQEVSTJZSA-N	372.557	2.423	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](C1CCOCC1)C1(CO)CCC1	855119433	DTXPIPUTLVRBCB-MEDHRJKHSA-N	361.438	2.185	10	10	FECE	
CC(C)(NC(=O)C(F)(F)F)C(=O)NCc1ccc2cccnc2c1O	862026214	ITBHKQBUEPLMKM-UHFFFAOYSA-N	355.316	2.014	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3CCOC[C@H]3CCO)c2C)cc1	765428812	AYONSHSFKKKTLQ-QGZVFWFLSA-N	358.438	2.326	10	10	FECE	
Nc1ccc(CCNC(=O)C(=O)N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)cc1	1118866293	DZFUZVRQGLCRRO-FGTMMUONSA-N	369.852	2.035	10	10	FECE	
COc1ccc(O)c(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)c1	775673526	WHAVFUKJZQDIRE-UHFFFAOYSA-N	364.423	2.038	10	10	FECE	
COC(=O)c1ccc2c(c1)CCN2CCN1C(=O)c2ccccc2C1=O	775071488	ASDKLWOBZVBDRI-UHFFFAOYSA-N	350.374	2.132	10	10	FECE	
C[C@H](NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cn[nH]c1	778142257	PJHSDPDUQRLFIB-LBPRGKRZSA-N	374.400	2.474	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC[C@H]1CC(C)(C)CO1	898673637	SNPHKLOHMXSMFJ-KRWDZBQOSA-N	361.486	2.032	10	10	FECE	
CNC(=O)C[C@@H](NC(=O)NCc1cccc(OC)c1O)c1ccccc1	797545532	FQWYFXBZFKZXGU-OAHLLOKOSA-N	357.410	2.077	10	10	FECE	
Cc1c(C(=O)NCc2c(O)cccc2O)nnn1Cc1ccc(F)cc1	1304053553	NPNJALSNHCSXGL-UHFFFAOYSA-N	356.357	2.115	10	10	FECE	
O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NCc1cc(O)ccc1O	1303223410	OELUQNKOVQZJAD-UHFFFAOYSA-N	368.311	2.163	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCc3c(cccc3C(N)=O)C2)cc1F	1330664506	GTXUKAGIHGCPRN-UHFFFAOYSA-N	370.428	2.259	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)Nc1ccc(CO)cc1	1350191712	HBLYHOJBJLAYNZ-UHFFFAOYSA-N	355.438	2.462	10	10	FECE	
Cc1ccc(C(=O)N(C)C2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c(O)c1O	1529304339	JKERJZZJTYMCJB-CHWSQXEVSA-N	362.426	2.344	10	10	FECE	
Cc1nc(O)c(C(=O)NCc2c(O)cccc2O)cc1Br	1472064249	YMDSFFPXPHFDFQ-UHFFFAOYSA-N	353.172	2.199	10	10	FECE	
CCN(C)C(=O)Cn1c(C)nnc1N(C)Cc1ccc(N2CCCC2)cc1	1728255721	GANQGWBLPQOKAP-UHFFFAOYSA-N	370.501	2.301	10	10	FECE	
CN(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)Cc1ccc(O)c(O)c1	1640422884	IIBFMJPUFFQEED-UHFFFAOYSA-N	352.431	2.402	10	10	FECE	
O=C(NCc1c(O)ccc2ccccc12)c1cn(C[C@H]2CCOC2)nn1	1647791342	OKIMGWLCZDJCLH-CYBMUJFWSA-N	352.394	2.103	10	10	FECE	
C[C@@H]1CCCN1CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1676496901	DJZRITIEVMNSGB-APWZRJJASA-N	361.534	2.139	10	10	FECE	
CN(C)c1ccc([C@@H](NC(=O)C2(C(=O)O)CCCC2)c2nccn2C)cc1	1866172956	QEABZQXHLGUTLW-MRXNPFEDSA-N	370.453	2.337	10	10	FECE	
CCN(CC)c1ccc(NC(=O)c2nnn(-c3ccc(N)cc3)n2)cc1	1857879166	WTAVXCVSXJOOOT-UHFFFAOYSA-N	351.414	2.343	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(NCc2ccc(O)c(O)c2O)C1	2033965619	BEBDQRRQKQMIDR-XIKOKIGWSA-N	350.415	2.293	10	10	FECE	
COc1cccc(CN[C@H]2[C@H]3OCC[C@H]3[C@H]2NC(=O)OC(C)(C)C)c1O	387936256	AXIGEQAISWHYOE-CRNXPOROSA-N	364.442	2.171	10	10	FECE	
CC(C)N(CCNC(=O)OC(C)(C)C)S(=O)(=O)Cc1ccc(N)cc1	2044595089	USPLRNSDUCTOTH-UHFFFAOYSA-N	371.503	2.334	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1	2049785602	CJLQBGXEEQRGGS-WFTHSTBKSA-N	350.459	2.289	10	10	FECE	
C[C@H](N=c1[nH]ccnc1I)c1cc(O)ccc1O	2057938040	WHRRJOBDYWDDFV-ZETCQYMHSA-N	357.151	2.087	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1CN=[N+]=[N-])[C@H]1CCCO1	2060637770	OOFQLZLDJOKAPX-XQQFMLRXSA-N	353.423	2.360	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12	2060635827	PSHHCUOJCLXFBQ-XQQFMLRXSA-N	353.423	2.027	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1	2073948250	ZMOCQHLUYKTGHW-JHJVBQTASA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CCOCCN2Cc2cc(N)ccc2O)C1	2111334993	AGQSURUWKAENTJ-UHFFFAOYSA-N	363.458	2.186	10	10	FECE	
COCCCN(Cc1ccccc1)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1	2095871279	BAFHHSUHIVNZJC-KRWDZBQOSA-N	358.438	2.033	10	10	FECE	
CN1CCCc2cc([C@H](N)[C@](O)(CF)CNC(=O)OC(C)(C)C)ccc21	2265067351	YFRCKEOAWSDPBZ-LPHOPBHVSA-N	367.465	2.294	10	10	FECE	
COC[C@@]1(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)C=CCN1C(=O)OC(C)(C)C	2336339107	WDCSRFNAUIGWQT-SUMWQHHRSA-N	365.434	2.480	10	10	FECE	
COc1ccc(N2CCN(c3cc(=O)n4ccccc4n3)CC2)cc1F	133641258	QWHKGMLXGXLXHX-UHFFFAOYSA-N	354.385	2.169	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NCc2cc(C(N)=O)co2)cc1F	187061549	RLYBNMVSMBQRDV-UHFFFAOYSA-N	362.405	2.363	10	10	FECE	
C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCO1	80010730	OXTJWULPCOPXNP-DYVFJYSZSA-N	351.422	2.029	10	10	FECE	
Oc1ccc(Br)cc1CN1CCN(Cc2ccon2)CC1	93560786	PIMJWGFJFNRERH-UHFFFAOYSA-N	352.232	2.461	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)NCC1(CO)CC2(CCC2)C1	279388588	GHAPLZNYOQJAJK-UHFFFAOYSA-N	373.497	2.265	10	10	FECE	
Cc1cc(Cl)cc(CN[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1O	272456179	XEXJLSQPEMCPBK-GOEBONIOSA-N	359.875	2.180	10	10	FECE	
CCn1nc2c(cc1=O)CN(Cc1cc(Cl)cc([N+](=O)[O-])c1O)CC2	371328596	XEJNWWKYRMZEKE-UHFFFAOYSA-N	364.789	2.089	10	10	FECE	
COc1cc(Br)cc(CNC[C@H]2CCCCN2CCO)c1O	824583664	OEIMLZHVOIUYQF-CQSZACIVSA-N	373.291	2.100	10	10	FECE	
CCn1nc(C(=O)NCc2cc(OC)ccc2O)c(=O)c2ccccc21	735685823	CKVXJRGXUHBBGD-UHFFFAOYSA-N	353.378	2.061	10	10	FECE	
COc1ccc(N2CCCN(S(=O)(=O)c3cnccc3C)CC2)cc1	830124595	INKLPJFTTSGBJI-UHFFFAOYSA-N	361.467	2.300	10	10	FECE	
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	911277960	YWLHHSBGSBGKIA-JCGIZDLHSA-N	360.454	2.227	10	10	FECE	
CNC(=O)Nc1cccc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	912292027	HEHDEYUEDNJWCI-INIZCTEOSA-N	368.437	2.455	10	10	FECE	
O=C(COc1ccc(O)cc1)NCc1ccc(N2CCOCC2)c(F)c1	746135032	SFAOTEDSVLNGLE-UHFFFAOYSA-N	360.385	2.063	10	10	FECE	
COc1cc(Br)cc(CNC[C@H](OC)[C@H]2CCOC2)c1O	850344065	ATDQFIYQZAUEQD-HZMBPMFUSA-N	360.248	2.304	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3C[C@H]4COC[C@]4(C)C3)C2)cc1	852387631	SVNWTWKJOKRZHZ-GUXCAODWSA-N	359.470	2.199	10	10	FECE	
COc1cc(CN(C)CCN2CCCS2(=O)=O)c(O)c(C(C)(C)C)c1	754737783	VHZMYSDRZSNDMT-UHFFFAOYSA-N	370.515	2.166	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H]3Cc4ccccc4[C@@H]3C)nc12	852468013	JXOGXVOWQSHCJB-YVEFUNNKSA-N	366.421	2.430	10	10	FECE	
CCC1(CC)CN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)c2ccccc21	752376347	ONQOUMNKAYNPJX-QXMHVHEDSA-N	367.449	2.202	10	10	FECE	
C[C@H](NCCCN1CCC[C@H]1C(=O)N(C)C)c1cc(F)cc(F)c1O	756523249	BIRWKUVFRLVRFN-LRDDRELGSA-N	355.429	2.264	10	10	FECE	
CCC[C@@]1(CO)CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	854297277	LOEVHFRLMGWJRB-OXQOHEQNSA-N	361.486	2.468	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccnc(-n4cccn4)c3)C2)cc1	855232663	WMBCGYMYDXBKPC-INIZCTEOSA-N	363.421	2.285	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H](C)c3nccn3C)CC2)cc1F	852688327	FYCSKPLHNVYISX-ZDUSSCGKSA-N	361.421	2.161	10	10	FECE	
Cc1ccc(C(=O)NCC[C@@]2(O)CCOC2)cc1-n1c(C)cc(C=O)c1C	862129956	YCMOAEWCABBJEP-OAQYLSRUSA-N	370.449	2.486	10	10	FECE	
CCC1(N(C)C)CCN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CC1	867707199	PTFNVXRWCLACSM-UHFFFAOYSA-N	374.529	2.044	10	10	FECE	
COCCn1c([C@H]2CCC[C@H](O)C2)nnc1N(C)Cc1ccccc1O	1523387721	HQBSZHSBZWSKSU-HOCLYGCPSA-N	360.458	2.285	10	10	FECE	
COc1cc(OC)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1C=O	860696691	CVXIJHOKVMBAKS-NSHDSACASA-N	359.378	2.289	10	10	FECE	
Oc1c(CN[C@H]2CCN(c3ccc4nncn4n3)C2)ccc2ccccc12	862481067	BWMSPLDMKVAVHC-INIZCTEOSA-N	360.421	2.352	10	10	FECE	
Cc1cn(C(C)(C)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cn1	895780601	PBAFSUGAXROXSJ-UHFFFAOYSA-N	370.497	2.452	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H](CO)c3cncn3C)ccc21	898883414	HXHPIOGVXNGNTE-QGZVFWFLSA-N	370.453	2.101	10	10	FECE	
Cc1cnccc1/C=C\C(=O)NCc1ccc(N2CCN(C)CC2)cc1	893608571	WTWMMLLRMDCZRN-YVMONPNESA-N	350.466	2.471	10	10	FECE	
O=C(NCc1ccc(N2CCCCC2)cc1)C1CN(C2CCOCC2)C1	895940294	KWMSEUMIKMDPPL-UHFFFAOYSA-N	357.498	2.404	10	10	FECE	
O=C(Cc1ccc(F)cn1)NCc1ccc(N2CCC(O)CC2)c(F)c1	798163069	HHNQEWIUDJUKIL-UHFFFAOYSA-N	361.392	2.180	10	10	FECE	
NC(=O)c1ccc(/C=C\C(=O)NCc2cccc(Br)c2O)o1	1156791896	KFTOYJAFOPPCEP-ALCCZGGFSA-N	365.183	2.176	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NCc2cc(F)cc(F)c2O)C1	2116265937	AOTJSDIEHHRENR-IAQYHMDHSA-N	372.412	2.378	10	10	FECE	
C[C@H](NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C1)c1cc(O)ccc1O	2116205944	OVVGOXRQMLYESA-WXRXAMBDSA-N	366.458	2.413	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N(C)Cc2ccccc2O)CO1	2124170940	CDZCMCKCNZXUJV-DZGCQCFKSA-N	364.442	2.375	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12CN(CCc3ccc(N)cc3)C[C@@H]1CCO2	2118569186	RDULJQHTSQKUGH-JXFKEZNVSA-N	361.486	2.427	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@]2(CCCOC2)C1	1327064481	CLSXYBYMUXWTMV-FQEVSTJZSA-N	360.454	2.160	10	10	FECE	
C[C@H](NC(=O)c1cnn(C)c1I)c1ccccc1O	1632254855	ISSLJDMSUKIDDT-QMMMGPOBSA-N	371.178	2.221	10	10	FECE	
O=C(C(=O)N1Cc2cccc(O)c2C1)N1CCC(c2cccnc2)CC1	1335559340	UJZJKDUJTALTMC-UHFFFAOYSA-N	351.406	2.036	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@@]1([C@H]2CCCCO2)CCCO1	1347384657	OUEIGDXIAOVXBO-CTNGQTDRSA-N	374.481	2.258	10	10	FECE	
C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)NCc3cccc(O)c3O)c2N1	1528779315	BYBBBEYBMGODKB-LDYMZIIASA-N	352.341	2.235	10	10	FECE	
COC(=O)[C@H](CNC(=O)c1c(F)ccc(O)c1O)Cc1cccc(F)c1	1638307493	OJVUKRGJEVWQJD-NSHDSACASA-N	365.332	2.138	10	10	FECE	
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCc2c(O)cccc2O)C1	1635847330	LYONNWBYJDTERF-AWEZNQCLSA-N	363.458	2.182	10	10	FECE	
O=C(CS[C@@H]1CCS(=O)(=O)C1)NCc1c(O)ccc2ccccc12	1635964845	BDPWCNALZICXMZ-CYBMUJFWSA-N	365.476	2.082	10	10	FECE	
COc1ccc(-c2noc(CCC(=O)NCc3cccc(O)c3O)n2)cc1	1644707986	CTPILFQOKHNCED-UHFFFAOYSA-N	369.377	2.405	10	10	FECE	
COc1cc(Br)cc(CN2CCC(C(=O)N(C)C)CC2)c1O	162586329	WFDYMASYANSESO-UHFFFAOYSA-N	371.275	2.464	10	10	FECE	
CN1c2ccccc2C(=O)N2CCc3c(n(CC(N)=O)c4ccccc34)[C@@H]21	1860347489	RJXYOTLEOQDBDL-HXUWFJFHSA-N	360.417	2.274	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnc4cc(C)nn4c3)CC2)cc1	1889837672	OVGXVJINPDZVTA-UHFFFAOYSA-N	351.410	2.009	10	10	FECE	
CC1(C)CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC(=O)N1	2150463381	AIUAPSLAKROKHP-UHFFFAOYSA-N	374.485	2.277	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N(C)Cc2ccccc2O)CO1	1968864692	CDZCMCKCNZXUJV-ZFWWWQNUSA-N	364.442	2.375	10	10	FECE	
COc1cccc(CN[C@H]2COC[C@@H]2CNC(=O)OC(C)(C)C)c1O	2036599857	QHLBFHHKDSKWPO-KBPBESRZSA-N	352.431	2.030	10	10	FECE	
C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1ccn(-c2ccc(N)cc2)n1	2162545918	AEMGUWWKDIMRST-CYBMUJFWSA-N	373.457	2.488	10	10	FECE	
CN1CCc2cc(C3(N)CCN(CCNC(=O)OC(C)(C)C)CC3)ccc21	2163139434	XXLUUQNZASMFRX-UHFFFAOYSA-N	374.529	2.453	10	10	FECE	
Cn1ncc(CNCc2ccc(O)c(O)c2O)c1NC(=O)OC(C)(C)C	387593595	RJYFMRGPEXHVKK-UHFFFAOYSA-N	364.402	2.174	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)C(=O)C[C@H]3C[C@H](N)C3)C[C@H]21	2049783034	QCFGFWCEQSTBIY-GXYBRJDSSA-N	350.459	2.191	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CCO[C@@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060615714	RLHOJHVCCUGDRP-UPJWGTAASA-N	353.423	2.218	10	10	FECE	
COCCN(CC(=O)NCc1cccc(C)c1O)C(=O)OC(C)(C)C	2084065685	ZQAZGAKPMDAZME-UHFFFAOYSA-N	352.431	2.200	10	10	FECE	
CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(O)c(OC)c2)SC1=S	2296042386	KKDNBOWDHVMEJU-VIFPVBQESA-N	353.421	2.465	10	10	FECE	
COC(=O)C=Cc1ccc(N(CCO)Cc2cccnc2)c([N+](=O)[O-])c1	2297681473	MQZKWVUJQPQZNA-UHFFFAOYSA-N	357.366	2.175	10	10	FECE	
COc1ccc(O)c(CNCCOC2CN(C(=O)OC(C)(C)C)C2)c1	2315422078	KXZSKGVRQOKQOB-UHFFFAOYSA-N	352.431	2.126	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H]3CCC[C@H](N(C)C)C3)CC2)cc1	176636244	OJPMDVWPBUVZIU-WMZOPIPTSA-N	360.502	2.400	10	10	FECE	
Cc1cnn(CCNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	118080488	VRKHZXLKLBWMCJ-KRWDZBQOSA-N	358.442	2.288	10	10	FECE	
C[C@H](NCCN1CCOC(C)(C)C1)c1ccc(N2CCC(O)CC2)cc1	178759584	WHYXQXOICAPHQN-KRWDZBQOSA-N	361.530	2.409	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)NCc1cccnc1-n1cncn1	66699309	SXABQEHERDFRPZ-UHFFFAOYSA-N	366.425	2.490	10	10	FECE	
CN(C)c1ccc(CNC[C@@H](O)COc2ccc3c(c2)OCO3)cc1F	113327846	DTCCZPBAWPTCQX-CQSZACIVSA-N	362.401	2.150	10	10	FECE	
CC(=O)N[C@H](CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccccc1	186385396	NZFQKKZMPCUPDA-SUMWQHHRSA-N	356.422	2.413	10	10	FECE	
CCc1c(C(=O)NCc2c(O)ccc3c2CCCC3)[nH]c(C)c1C(N)=O	133607455	QQHCZODOPCBBES-UHFFFAOYSA-N	355.438	2.499	10	10	FECE	
NCCN1CCN(C(=S)N(c2ccccc2)c2ccc(N)cc2)CC1	243211939	KFXWIKYTPIAJPJ-UHFFFAOYSA-N	355.511	2.268	10	10	FECE	
COCc1nc([C@@H]2COCCN2Cc2cc(Cl)cc(OC)c2O)no1	373406269	IKBDNTVIKSLWHP-LBPRGKRZSA-N	369.805	2.157	10	10	FECE	
CC[C@@H](N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(C)cc1O	806171038	PRBAJXATCDDCSD-GDBMZVCRSA-N	355.504	2.012	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)c1ccc(-n2ccnc2)nn1	804738787	DODSDOMQPZHXHX-UHFFFAOYSA-N	374.198	2.060	10	10	FECE	
COC1CCN(c2ccc(CN3CCC[C@@H]3c3nc(N)n(C)n3)cc2)CC1	295152365	GCPUHUDXRYLHPV-GOSISDBHSA-N	370.501	2.350	10	10	FECE	
COC[C@H](CCCN)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	817888859	QGGVFFIVHRWKFP-UXLLHSPISA-N	353.482	2.283	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC[C@@H](N3CCCC3=O)C2)c([N+](=O)[O-])c1	732050511	CFEHAKTXCLWGFF-SOIVGHGOSA-N	373.409	2.372	10	10	FECE	
CCCCCN(CC(N)=O)C(=O)/C=C\c1ccc(N2CCOCC2)cc1	588413335	IFYACEXUXILQHW-YFHOEESVSA-N	359.470	2.041	10	10	FECE	
Cn1nccc1[C@@H]1COCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1O	846116316	SFNCSLOLWBQEFE-AWEZNQCLSA-N	352.778	2.261	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@@H]([C@H]2CCOC2)C1	747952094	ZREHNGGODJNJSF-MOPGFXCFSA-N	373.497	2.481	10	10	FECE	
Cc1cc(O)c(CNCCCN2CCC[C@H]2C(=O)N(C)C)c(Cl)c1	840888886	DMODURALJZFUJJ-INIZCTEOSA-N	353.894	2.386	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NCC[C@@H]2CNC(=O)C2)c1O	926975914	BHFFHSOUICCZDV-ZJUUUORDSA-N	357.248	2.340	10	10	FECE	
CN(C)c1ccc([C@@H](N)CNS(=O)(=O)C[C@H]2CCCC2(F)F)cc1	842785016	KKJIFZKUYGTBES-HIFRSBDPSA-N	361.458	2.107	10	10	FECE	
CCN1CC[C@H](N(CC)C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	854295873	DGTHEYZUCRFFBI-AEFFLSMTSA-N	360.502	2.400	10	10	FECE	
CC1(C)C[C@H](N)C[C@H](NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1	925486165	PUYADXZYJJWQQP-KURKYZTESA-N	358.530	2.384	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](CO)Cc3ccco3)C2)cc1	854303040	RSZADAAQZKIIHD-HZPDHXFCSA-N	373.453	2.017	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ncoc3-c3ccon3)C2)cc1	855225083	NRNYAKRVELPQCX-LBPRGKRZSA-N	354.366	2.347	10	10	FECE	
CCc1nnc(O)c(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1CC	855233886	OOUMOMFYBMUEDT-CYBMUJFWSA-N	370.453	2.324	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CNC[C@@H]3CCCC34CC4)CC2)cc1	863588327	KQZQVKFAMQOGQY-AZUAARDMSA-N	373.541	2.348	10	10	FECE	
COc1cc2c(cc1OC)CCN(Cc1cc3c(cc1O)OC[C@@H]3O)CC2	768442812	NZPLBUDBNBJIMP-SFHVURJKSA-N	371.433	2.436	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)N2C[C@@H]3CCC[C@]3(CO)C2)N(C)C)cc1	899097579	BUBBNBYOSLGPSV-FBBABVLZSA-N	374.529	2.159	10	10	FECE	
O=C1C[C@H](C(F)(F)F)[C@@H](C(=O)NCc2c(O)ccc3ccccc23)CN1	1304090299	DBOKEFGSVFMXTA-KBPBESRZSA-N	366.339	2.476	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C2CN(c3cc4c(cc3N)OCCO4)C2)C1	1886865139	HOFWJWWZVVXJTL-UHFFFAOYSA-N	361.442	2.343	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)OC[C@@H]2C(=O)NCC1(CN=[N+]=[N-])CC1	2124535290	LTCAMEMOWYXRFM-AGIUHOORSA-N	365.434	2.075	10	10	FECE	
COCC[C@H](CNCc1cccc(OC)c1O)NC(=O)OC(C)(C)C	1664595421	PTWFUKKZYINFSK-CQSZACIVSA-N	354.447	2.420	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C1	2126934378	TZGXVQPZWWJDJP-CXAGYDPISA-N	367.450	2.440	10	10	FECE	
CN1CCN(c2ccc(CN3C[C@H]4[C@H]5CC[C@@H](CN5)[C@H]4C3)cc2F)CC1	1351679267	LTRIJFNDIYLGAP-JRBPQWBISA-N	358.505	2.007	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)[C@@H]3C[C@@H]3[C@H]3C[C@@H]3C)CC2)cc1	1442475400	RLONYSGPXGASKC-KCUHQSDYSA-N	357.498	2.226	10	10	FECE	
CCOC(=O)C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(F)(F)F	1452952266	GGOUAPFKOQBTRF-JTQLQIEISA-N	360.292	2.463	10	10	FECE	
NC(=O)c1cc(N(Cc2ccccc2O)C[C@@H]2CCCO2)nc(Cl)n1	1612152110	SBVDQZZFFRFRJT-LBPRGKRZSA-N	362.817	2.120	10	10	FECE	
CCc1nnc(Nc2cnn(C)c2)n1Cc1ccc(N2CCOCC2)cc1	1614055381	XFFNTOZHDQXCIQ-UHFFFAOYSA-N	367.457	2.203	10	10	FECE	
COc1nccc2cc(NC(=O)/C(=C\C3=S=CC=C3)NC(C)=O)ccc12	1628000401	ZEGYBVBXLYGUDR-GZTJUZNOSA-N	367.430	2.480	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@H](c1ccccc1)N1CCCCC1=O	1652623139	ORMMMQCZUNZFNO-IBGZPJMESA-N	354.406	2.468	10	10	FECE	
CCC[C@H](CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)OC	1682640082	NQUFMONWBBQYBY-QZTJIDSGSA-N	350.507	2.470	10	10	FECE	
CCOCCN1CCN(C(=O)NCCCSc2nccs2)C[C@@H]1C	154605482	DOGYEVJROMPLIZ-AWEZNQCLSA-N	372.560	2.378	10	10	FECE	
C[C@H](N)c1ccc(N2CC[C@H]3CS(=O)(=O)C[C@@H]32)cc1Br	2151274469	LLPDLZGQDNLPLH-BHDSKKPTSA-N	359.289	2.092	10	10	FECE	
CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1	2034682953	RNKALAFZZCGMGE-LJQANCHMSA-N	359.495	2.305	10	10	FECE	
CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)Cc2ccc(N)cc2)CC1	310595869	XIGIWSCLJKLJKG-UHFFFAOYSA-N	369.487	2.041	10	10	FECE	
C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1[C@@H](CN)c1ccc(N(C)C)cc1	2194745263	QMSBVGMFUJXYEC-XPKDYRNWSA-N	372.435	2.284	10	10	FECE	
CN(C)c1ccc([C@@](C)(O)[C@@](C)(NC(=O)OC(C)(C)C)C(=O)O)cc1	2058201949	XPPQXLABEJEHJV-ZWKOTPCHSA-N	352.431	2.328	10	10	FECE	
COC1CC(C(=O)N2CC[C@H](N=[N+]=[N-])C2)(N(C)C(=O)OC(C)(C)C)C1	2060612709	JPAQKFRKZYKJNJ-FZWSLVFFSA-N	353.423	2.312	10	10	FECE	
C[C@@H](CNC(=O)c1cc(O)c(O)c(O)c1)CN(C)C(=O)OC(C)(C)C	2068619420	YUBLVYKBBRXIOK-JTQLQIEISA-N	354.403	2.036	10	10	FECE	
COC[C@H](CC(=O)N[C@H](C)c1ccccc1O)NC(=O)OC(C)(C)C	2072470287	GGQCHBVRIORUDF-OLZOCXBDSA-N	352.431	2.499	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])C1	2218743880	GYZKSCFJAQFJJQ-NWDGAFQWSA-N	353.423	2.360	10	10	FECE	
COc1cccc(C=C2SC(=S)N([C@H](C)C(=O)O)C2=O)c1OC	2296025100	LULKDCUHINDVKH-MRVPVSSYSA-N	353.421	2.378	10	10	FECE	
COc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OC)c3O)C2=O)cc1	2296562425	QLODRIAWTRRRQZ-UHFFFAOYSA-N	368.345	2.076	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1	2308002090	UQRMWUDWPUJVHZ-GOEBONIOSA-N	356.422	2.113	10	10	FECE	
COCCN(C[C@H](O)CN1CCC(C)CC1)c1ccc(OC)c(OC)c1	126354426	MZMFOACGDSEDIA-GOSISDBHSA-N	366.502	2.249	10	10	FECE	
Cc1cc(/C=C/C(=O)N2CC[C@H](CO)[C@H](O)C2)c(C)n1-c1ccccc1	192667679	OSPKYUIGDQBLHP-NREOILKTSA-N	354.450	2.309	10	10	FECE	
COC(=O)c1conc1C(C)(C)NCc1cc(OC)c(OC)cc1O	822534752	VZDFCCSGYNMGJO-UHFFFAOYSA-N	350.371	2.209	10	10	FECE	
Cn1c(C(=O)NCc2ccc(N3CCCCC3)cc2)c2n(c1=O)CCCC2	822818381	BLSWSLCOFFCJJQ-UHFFFAOYSA-N	368.481	2.443	10	10	FECE	
O=S1(=O)CCCN1CCCNCc1cc(Cl)cc(Cl)c1O	731451059	GMQDHMLQLUFERU-UHFFFAOYSA-N	353.271	2.214	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N[C@](C)(CCF)C(=O)O)C2)cc1	909133846	HRQFKUFGPACJSM-SCLBCKFNSA-N	367.421	2.024	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)cc2)C1	902758207	DSAGVYQAAHFEJH-UDBQEWARSA-N	369.509	2.291	10	10	FECE	
Cc1cc(C(=O)N2CCS(=O)(=O)[C@H]3CCC[C@@H]32)c(C)n1-c1ccccn1	837096766	OFTVEHQOXVIXEZ-IRXDYDNUSA-N	373.478	2.281	10	10	FECE	
Nc1ccc(CCNC(=O)C(=O)N2CCC[C@H]2Cc2cccc(F)c2)cc1	842238408	PPRRVFSQEFSCLA-IBGZPJMESA-N	369.440	2.300	10	10	FECE	
CO[C@H](COC(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CCCC1	849711814	BQJIDPXFYDCAMZ-OAHLLOKOSA-N	357.428	2.126	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)NC(=O)COC(C)(C)C	844396373	NTLJTIRMSUMBBF-UHFFFAOYSA-N	363.502	2.387	10	10	FECE	
COCc1cc(O)ccc1NS(=O)(=O)c1cc(OC)cc(OC)c1	840918427	SQSOWJVKISSLOO-UHFFFAOYSA-N	353.396	2.357	10	10	FECE	
COC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2cc(OC)ccc2O)cc1	751319079	SBXNOEKIEVVDAN-LLVKDONJSA-N	365.407	2.227	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H]4CN(C)CC[C@H]43)C2)cc1	854298919	KESXZKKIWBOPTG-ABSDTBQOSA-N	372.513	2.400	10	10	FECE	
C[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1nccn1C	852689984	PHXOAFAUKOGXRK-OAHLLOKOSA-N	357.458	2.159	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cnc(OCC4CC4)cn3)C2)cc1	855223154	BXMIFOZIHOIJAM-OAHLLOKOSA-N	368.437	2.283	10	10	FECE	
CCOC(=O)C[C@@H](CO)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C	854539789	NYRXQBYTKPXFMX-KRWDZBQOSA-N	358.438	2.067	10	10	FECE	
C[C@H](NCC(C)(C)CS(N)(=O)=O)c1ccc(Br)cc1O	866571248	BSMALGSDMHNITI-VIFPVBQESA-N	365.293	2.120	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@@H]1C[C@H]2CC[C@H]1O2	768532430	FURCJSGXPZDSPA-NJDAHSKKSA-N	369.509	2.402	10	10	FECE	
CN(C[C@H]1COc2ccccc2O1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	761873010	HQRYYKIXDSTEOM-NSHDSACASA-N	371.349	2.202	10	10	FECE	
COC[C@@H](C)OC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	867045007	ZXYJWUOATXUGRX-MRXNPFEDSA-N	361.486	2.480	10	10	FECE	
O=C(CC[C@@H]1CC[C@@H](C2OCCO2)O1)NCc1cc(Cl)ccc1O	898276881	GOWPJLMJZHCUPV-ZFWWWQNUSA-N	355.818	2.363	10	10	FECE	
COc1ccc([C@H](CC(=O)NCc2ccc(OC)cc2O)NC(C)=O)cc1	794389942	STWVJQGULVIPJK-SFHVURJKSA-N	372.421	2.293	10	10	FECE	
COc1ccc([C@H](C)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c(O)c1	2116262306	PYRTXVLRTVWULM-NUTKFTJISA-N	366.458	2.422	10	10	FECE	
C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO)c1ccc(O)cc1O	2116274679	QJLMIPHWQQUJOV-HEHGZKQESA-N	366.458	2.366	10	10	FECE	
Cc1nn(-c2cccnc2)nc1C(=O)NCc1ccc(N(C)C)c(F)c1	1356250702	MCCOUKKIQPWEDC-UHFFFAOYSA-N	354.389	2.106	10	10	FECE	
CN(C)c1ncc(Br)cc1C(=O)NCc1ccc(O)cc1O	1469161379	ZHOVNEBRVWNCGT-UHFFFAOYSA-N	366.215	2.251	10	10	FECE	
CN1C(=O)[C@@H](NC(=O)NCc2cc(Cl)ccc2O)Cc2ccccc21	1478956542	ZWXUYJMMWQULBL-AWEZNQCLSA-N	359.813	2.433	10	10	FECE	
NC(=O)c1cc(N2CCCCC2)ccc1NC(=O)Cc1ccc(O)c(O)c1	1545824269	RHJARRHGJUUOMW-UHFFFAOYSA-N	369.421	2.368	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)NCC1(S(N)(=O)=O)CCC1	1558388574	COCKSHUAZUFCRI-UHFFFAOYSA-N	367.496	2.097	10	10	FECE	
Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCc1ccc(O)cc1O	1630302370	ZJNSMLDRRNNLBR-UHFFFAOYSA-N	365.389	2.399	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C(=O)OC(C)(C)C)n[nH]1	1634944454	ULBYUKYFYISEDK-UHFFFAOYSA-N	366.414	2.486	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@H](CO)C[C@@H](O)c2ccccc2)cc1	1633381490	HIWOQTIMXQSJAP-JKSUJKDBSA-N	356.382	2.063	10	10	FECE	
CC(=O)Nc1ccccc1C(F)(F)C(=O)NCc1cc(O)ccc1O	1651225443	JMYQHKPSHVWYLN-UHFFFAOYSA-N	350.321	2.464	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2CNC(=O)COc1ccc(N)cc1	2138283837	RETBBCDWTJZONQ-KCXAZCMYSA-N	361.442	2.019	10	10	FECE	
CC1(C)CC[C@@H](CCNC(=O)c2cc(NS(C)(=O)=O)ccc2O)OC1	1598194662	XCFFTUVRIZMWME-ZDUSSCGKSA-N	370.471	2.089	10	10	FECE	
C[C@@H]1CCC[C@]1(O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1676653283	JZTDMMUNXHCFJN-ZTNFWEORSA-N	362.518	2.206	10	10	FECE	
COC[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1O)OC	1770764857	FFVGOHHMZLMDOW-HNNXBMFYSA-N	371.441	2.277	10	10	FECE	
COCC(C)(C)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1681680658	YUXRPCKNAMBVJB-KRWDZBQOSA-N	350.507	2.327	10	10	FECE	
C[C@@H](NCCN1CCC(N(C)C)CC1)c1ccc(N2CCC(O)CC2)cc1	160158954	UYXIFLHUEJRORR-GOSISDBHSA-N	374.573	2.324	10	10	FECE	
CN1CCC(OCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1	935033549	DLLHAILBHXPYIN-SFHVURJKSA-N	362.470	2.011	10	10	FECE	
CN(Cc1ccccc1O)C(=O)N[C@@H](COCc1ccccc1)C(=O)O	1877542061	BNAVBAWAIMZOMJ-INIZCTEOSA-N	358.394	2.204	10	10	FECE	
CN(C)c1ccc([C@H](CN)N2C[C@H]3C(NC(=O)OC(C)(C)C)[C@@H]3C2)cc1	1882174509	KJTLMYIYPIJTSP-ZACQAIPSSA-N	360.502	2.207	10	10	FECE	
CC(C)(C)OC(=O)NCC1CC(C(=O)NCCc2ccc(O)c(O)c2)C1	1963687926	FUVYZYOYJXDJKZ-UHFFFAOYSA-N	364.442	2.307	10	10	FECE	
C[C@H](N[C@H]1COCC[C@@H]1NC(=O)OC(C)(C)C)c1ccc(O)cc1O	2031531934	GMLZMKVKJIURNA-CQDKDKBSSA-N	352.431	2.431	10	10	FECE	
CNC(=O)CC1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1	382176526	KUXKOFPPKCABLP-UHFFFAOYSA-N	374.485	2.134	10	10	FECE	
CN1CCc2cc([C@H](CN)N3C[C@H]4C[C@H]3CN4C(=O)OC(C)(C)C)ccc21	2194787929	GLCJVFTYYFKAGH-SCTDSRPQSA-N	372.513	2.372	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)N2CC[C@@H](N=[N+]=[N-])C2)C1	2060639587	JSRPIURONGVALA-WBMJQRKESA-N	353.423	2.050	10	10	FECE	
CCOC1(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])CN(C(=O)OC(C)(C)C)C1	2218746253	WBUCNXFBKWRUOE-RYUDHWBXSA-N	353.423	2.360	10	10	FECE	
CN(CCn1cnc(C(=O)NCc2ccccc2O)c1)C(=O)OC(C)(C)C	2233482712	HNTOPAQROUFBNP-UHFFFAOYSA-N	374.441	2.386	10	10	FECE	
CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)N[C@@H]3CCC[C@H]3N=[N+]=[N-])(C1)C2	2254819023	TZJLHVHCNYMGLN-HOJOPBEUSA-N	351.407	2.160	10	10	FECE	
Cn1cccc1C=C1SC(=S)N(NC(=O)c2cccc(O)c2)C1=O	2296883249	PLCAFFZYJHXRGM-UHFFFAOYSA-N	359.432	2.277	10	10	FECE	
COc1ccccc1NC=C1C(=O)N(c2ccc3nnc(C)n3n2)N=C1C	2296892385	DHNWTHLAQBBXKE-UHFFFAOYSA-N	363.381	2.160	10	10	FECE	
COC(=O)CN1C(=S)N(C)C(=O)C1=Cc1ccc(N2CCCC2)cc1C	2297366374	JCWOKPRHSBFYBG-UHFFFAOYSA-N	373.478	2.168	10	10	FECE	
O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2)SC1=S	1908117	DTPSNZKCDHPUJR-MXBGMFSPSA-N	351.405	2.206	10	10	FECE	
Cc1cc(C(=O)N2CCN(Cc3cc([N+](=O)[O-])ccc3O)CC2)c(C)o1	170914001	APYLNJYPQIAPIQ-UHFFFAOYSA-N	359.382	2.468	10	10	FECE	
NCc1ccc(I)c(I)c1O	307431234	WNSCAYXTUIGVGU-UHFFFAOYSA-N	374.947	2.060	10	10	FECE	
CNC(=O)c1cccc(OCC(=O)NCc2ccc3c(c2)CCCN3C)c1	121539049	CEFXUPHJPRUQOS-UHFFFAOYSA-N	367.449	2.124	10	10	FECE	
C[C@@H](N[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccc(N2CCOCC2)cc1	90061998	FCNFFOLKHNUBLC-UKRRQHHQSA-N	371.403	2.337	10	10	FECE	
COc1cccc(CC(=O)N2CCN(Cc3ccc(OC)cc3O)CC2)c1	92536421	OJURWKKZCYBPHG-UHFFFAOYSA-N	370.449	2.296	10	10	FECE	
CN1CCN(C(=O)CC2CCN(Cc3cc(Cl)ccc3O)CC2)CC1	93142553	IRACXFBNXZJIEH-UHFFFAOYSA-N	365.905	2.422	10	10	FECE	
CC(=O)OC1CCN(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)CC1	255621880	HFUWTBMQROTMSR-DAXSKMNVSA-N	358.438	2.091	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)NCc2ccc(N3CCCC3)cc2)c1	254942573	NUPJHZXHWODLRE-TWGQIWQCSA-N	364.449	2.371	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCO[C@H](COC(C)C)C2)c([N+](=O)[O-])c1	364221386	WGQPQAAEVIIKJY-ZKKXHLJNSA-N	364.398	2.411	10	10	FECE	
C[C@@H](NC(=O)N1CCO[C@H](C(F)F)C1)c1ccc(N2CCOCC2)cc1	801001670	NRCKMPMXKNPBDN-CJNGLKHVSA-N	369.412	2.260	10	10	FECE	
Cc1ccc(C(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c(O)c1O	292154926	CMNYUDPZBHIJPF-PEXQALLHSA-N	374.359	2.324	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)c3cnn4c3CCCC4)C2)cc1	819585892	JJKFZOJIUUGSOE-HNNXBMFYSA-N	354.454	2.484	10	10	FECE	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@H]2CCNC(=O)CC2)cc1	815152993	DRUNMYUVXLCGBC-IEBWSBKVSA-N	373.497	2.177	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cc(F)ccn3)cc2)C1	824824566	KFOGZWLOPTUDLL-CQSZACIVSA-N	371.416	2.244	10	10	FECE	
COc1ccc(O)c(CNC(=O)Nc2ccc3c(c2)CCN(C)C3=O)c1	825049977	OEEOWAJEPNCEOT-UHFFFAOYSA-N	355.394	2.351	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)NC3CCC4(CC3)CC4)C2)cc1	828591908	OTEZYLTZPLONBV-MRXNPFEDSA-N	371.481	2.229	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N[C@H](C)c1cscn1	829678576	MZUQAODLTDYTTE-ZIAGYGMSSA-N	374.510	2.442	10	10	FECE	
CC[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@H](O)C(F)F	837651446	LRHGCPDYSDKRII-GJZGRUSLSA-N	373.469	2.444	10	10	FECE	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CNC(=O)N3)c2C)cc1C	732360510	LFECRJWVLCJVKW-KRWDZBQOSA-N	369.421	2.118	10	10	FECE	
N[C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2ccc(N3CCOCC3)cc2)C1	844912400	UDVVRZMSNCQHTD-GIVPXCGWSA-N	359.514	2.384	10	10	FECE	
Cc1cc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c(C)n1-c1ccccn1	742889492	KJPOFJFZYLJLHL-VMGRFDJRSA-N	352.438	2.228	10	10	FECE	
COc1c(C)cccc1CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C	848933490	CJYVLXVRVOQYNJ-UHFFFAOYSA-N	369.465	2.311	10	10	FECE	
COC1CC(CO)(NCc2cc(Cl)cc(Br)c2O)C1	1899842907	XMVHLDJLJYIGMP-UHFFFAOYSA-N	350.640	2.438	10	10	FECE	
COc1ccc(N2CCCN(c3nnc(-c4cnns4)n3C)CC2)cc1	1339839239	FODOSJACPBRUOM-UHFFFAOYSA-N	371.470	2.059	10	10	FECE	
COc1cnc(F)c(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1	856208334	CPZIOENJTHYAKG-UHFFFAOYSA-N	359.401	2.120	10	10	FECE	
CC(C)[C@@H](C)CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	852190615	MQETZXRQRMODDB-HNNXBMFYSA-N	367.515	2.013	10	10	FECE	
O=C1N[C@@H](Cc2ccccn2)C(=O)N1Cc1ccc(N2CCCC2)cc1	761094906	ZWTBBCWKDWJFCD-SFHVURJKSA-N	350.422	2.345	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3nc([C@@H]4C[C@@H]4C)no3)CC2)c(OC)c1	866128288	ZUQRFSGWLRHEOK-GXTWGEPZSA-N	372.425	2.173	10	10	FECE	
COc1ccc(N2CCC(NCc3nc(O)c4c(n3)CCOC4)CC2)cc1	865866174	GPUKRNXQDRAFFR-UHFFFAOYSA-N	370.453	2.022	10	10	FECE	
COC(=O)N1CCC[C@H]([C@H](C)NC(=O)NCc2cccc(OC)c2O)C1	776239936	NUYVJESEOQLARP-JSGCOSHPSA-N	365.430	2.067	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnn(CC(F)(F)F)c3)CC2)cc1	786688536	RDNRKASBZBOSQK-UHFFFAOYSA-N	368.359	2.416	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cncc2nc[nH]c12	895494326	FEUSNMZJTOZGJO-UHFFFAOYSA-N	351.410	2.067	10	10	FECE	
CN(C)C(=O)N(C)[C@@H]1CCN(Cc2cc(Br)cc(F)c2O)C1	895332500	KOSBMXWRDYWADH-GFCCVEGCSA-N	374.254	2.482	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(-c2nc(-c3ccn4cncc4c3)no2)c1	790512989	CRBGRMIIJMPGDA-UHFFFAOYSA-N	371.378	2.128	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC2(C(=O)NCC3CC3)CCCC2)cc1	1148379049	OHSHVGZPYDKYBP-UHFFFAOYSA-N	357.414	2.418	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2c(O)cccc2O)C1	1304053941	WWYDPQSZAHGMAK-ORAYPTAESA-N	362.426	2.361	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]12CN(Cc3cc(N)ccc3O)C[C@@H]1CCO2	2118568088	KADARRFEWKFWID-IFXJQAMLSA-N	363.458	2.090	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)N2CCC(CN=[N+]=[N-])CC2)C1	2124533483	DPKJKYQNJGPVEA-WJYNOGRTSA-N	367.450	2.201	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C1	2124507418	AACGZJPSPJHZBL-OGHNNQOOSA-N	365.434	2.314	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N1C2CCC1(CO)CC2	1335137994	ZGXCFPNAZAXHEQ-UHFFFAOYSA-N	361.511	2.439	10	10	FECE	
O=C(C(=O)N1Cc2cccc(O)c2C1)N1CCC(Cc2cccnc2)CC1	1332021100	KURKVVLGVLKTOV-UHFFFAOYSA-N	365.433	2.111	10	10	FECE	
O=C(O)c1c[nH]ccc1=NCc1ccc(N2CCN(CC3CC3)CC2)cc1	1261503172	OIRLWXCTRDHTPP-UHFFFAOYSA-N	366.465	2.346	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)NC[C@]1(C)CC1(F)F	1261718587	LTWMWSLHLYYSBP-UGSOOPFHSA-N	367.440	2.270	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1(S(C)(=O)=O)CCC1	1523554499	VZRRVHDEXINPAT-UHFFFAOYSA-N	350.484	2.213	10	10	FECE	
Cc1nnc(N2CCC(CO)CC2)n1CCCSc1nccs1	1290793275	GJTYCQHRUGYICT-UHFFFAOYSA-N	353.517	2.434	10	10	FECE	
CC(=O)N1C[C@@H](C(=O)NCc2cc(Cl)ccc2O)Oc2ccccc21	1452947147	PYCGMXMMVNWIHF-KRWDZBQOSA-N	360.797	2.476	10	10	FECE	
CN1CCc2cc(CNC[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)ccc21	1918981187	MHFSDZLCRXYLBM-FQEVSTJZSA-N	361.486	2.140	10	10	FECE	
CN(C)c1ccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)O)cc1	2136232222	FCSDAXXHPQDRQQ-HNNXBMFYSA-N	365.474	2.033	10	10	FECE	
COc1ccc(CNC(=O)c2cc(Br)cnc2O)c(O)c1	1617754063	XOVXQTXYWUBQET-UHFFFAOYSA-N	353.172	2.194	10	10	FECE	
CN(Cc1ccccc1O)C(=O)c1cc(=O)n(C)cc1Br	1545503066	LRBZPDPQXSGGTA-UHFFFAOYSA-N	351.200	2.126	10	10	FECE	
COCc1nc(NC(=O)/C=C/c2ccc(O)c(O)c2)sc1C(=O)OC	1627332962	LNEFMAUXNUOPBT-GQCTYLIASA-N	364.379	2.139	10	10	FECE	
CS(=O)(=O)c1ccc(C(=O)NCCCSc2nccs2)c(N)c1	1632806749	APDATZBYXGMWDW-UHFFFAOYSA-N	371.509	2.041	10	10	FECE	
CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NCc1c(O)cccc1O	1647268783	CEQRSYMSICCJFR-SFHVURJKSA-N	371.437	2.238	10	10	FECE	
CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1C[C@H]1C	1741640885	AJBWYXQFPAPDLW-HIFRSBDPSA-N	357.458	2.414	10	10	FECE	
CCOC1(C(=O)NCc2cccc(C)c2O)CN(C(=O)OC(C)(C)C)C1	2139758273	QJUICPNACVARFM-UHFFFAOYSA-N	364.442	2.343	10	10	FECE	
CN(C)c1ccc(/C=c2\sc3nc(Cc4cccs4)nn3c2=O)cc1	1860790272	BLVDPODDTUFJNW-GDNBJRDFSA-N	368.487	2.417	10	10	FECE	
COc1ccc(N2CCN(C(=O)CCC(=O)N3CCCCC3)CC2)cc1	1866379816	RXKGIQLDPWVSBI-UHFFFAOYSA-N	359.470	2.137	10	10	FECE	
C[C@@H](NCc1c(O)cccc1Br)C1CCS(=O)(=O)CC1	1964607899	WHUNGQUSPAWGQF-SNVBAGLBSA-N	362.289	2.458	10	10	FECE	
COc1ccc(O)c([C@H](C)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1	702794670	HZJUGUUAEKDIAG-AHIWAGSCSA-N	366.458	2.279	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]2CN(c3cc4c(cc3N)OCC(=O)N4)C[C@@H]21	2188886678	AFZKIHNPWURBSQ-NHYWBVRUSA-N	374.441	2.045	10	10	FECE	
C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)Cc1ccc(N)cc1	2044650750	QNXVVQLMUZSLQG-WFASDCNBSA-N	369.487	2.086	10	10	FECE	
C[C@@H](COCC(=O)N1CCC[C@@H](CN=[N+]=[N-])C1)NC(=O)OC(C)(C)C	2060634576	BJROYGBGLWAPJF-STQMWFEESA-N	355.439	2.465	10	10	FECE	
CN1CCC(CC(=O)N(C)CCN=[N+]=[N-])(NC(=O)OC(C)(C)C)CC1	2060612317	FGCRAYWJLFDHCF-UHFFFAOYSA-N	354.455	2.134	10	10	FECE	
CCN(C[C@H](O)COc1ccc(N)cc1)C[C@H](C)NC(=O)OC(C)(C)C	2106766781	QPCRJZULNHVNPB-HOCLYGCPSA-N	367.490	2.244	10	10	FECE	
C[C@H]1CN2CCC[C@@H]2CN1C(=O)C=Cc1ccc(N2CCOCC2)cc1	2297564651	VADBEIADBONWNZ-FXAWDEMLSA-N	355.482	2.232	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CC(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C1	2331230274	HLSZOYKJPASACG-HZSPNIEDSA-N	367.450	2.296	10	10	FECE	
CO[C@H]1C[C@H](NCCc2ccc(O)c(O)c2)CN(C(=O)OC(C)(C)C)C1	2344386021	TWDNXXUQQFTLQG-GJZGRUSLSA-N	366.458	2.254	10	10	FECE	
Cc1ccc(C(=O)N2CCC(CN3C[C@H](C)O[C@H](C)C3)CC2)c(O)c1O	177680053	SWPILIGBYUGPLD-GASCZTMLSA-N	362.470	2.368	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCCc2[nH]ncc21	136068339	OTBQRMXAEWPGFH-HNNXBMFYSA-N	372.444	2.246	10	10	FECE	
CCCN(CCC)c1ccc(CN2CCC[C@]3(C2)NC(=O)NC3=O)cc1	193471373	LDVSJSXXXHXCLF-HXUWFJFHSA-N	358.486	2.487	10	10	FECE	
CC(C)OC(=O)[C@H](C)N(C)C(=O)/C=C\c1ccc(N2CCOCC2)cc1	255391181	AIUSBJLMBWPOOC-BJIFSAINSA-N	360.454	2.335	10	10	FECE	
CN(C)c1ncncc1NC(=O)/C=C\c1ccc(N2CCOCC2)cc1	255206551	JAFRJECSMDLMMV-YVMONPNESA-N	353.426	2.031	10	10	FECE	
O[C@H](CNCCCSc1nccs1)COc1ccc2c(c1)OCO2	819063958	QNWYVWAGQRZABC-GFCCVEGCSA-N	368.480	2.384	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)N[C@@H]3CC[C@H]4C[C@@H]4C3)CC2)cc1	825795157	HNSFAXAXGTWVMK-RCCFBDPRSA-N	372.513	2.305	10	10	FECE	
CC[C@H](C)NC(=O)CN1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1	835026308	UQJNPKFHMNHTNY-MJRGOJFPSA-N	358.530	2.298	10	10	FECE	
C[C@H]1CN(CC(F)(F)F)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	837032982	XQLAZTRFJINCFZ-PYEVWLCESA-N	358.360	2.454	10	10	FECE	
CCOC(=O)/C=C\c1ccc(S(=O)(=O)NCCc2ccc(N)cc2)cc1	588617463	RVNNIOHCNPOPSZ-GHXNOFRVSA-N	374.462	2.366	10	10	FECE	
CN(C)c1ccc(/C=C\C=c2sc(=CC(=O)C(C)(C)C)[nH]c2=O)cc1	840712338	BAEAXQZZIABDHV-IHFWCDONSA-N	356.491	2.392	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCCN2C(=O)C(C)C)cc1	844854540	QPVXKWJYNBLKDO-GOSISDBHSA-N	361.486	2.237	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CCCc3c2ccc(=O)n3C)c1O	846124043	WMTAVYGTRVCVCD-ZDUSSCGKSA-N	359.382	2.175	10	10	FECE	
Cc1cc(O)c(CNCCCN2CCC[C@@H]2C(=O)N(C)C)c(Cl)c1	840888888	DMODURALJZFUJJ-MRXNPFEDSA-N	353.894	2.386	10	10	FECE	
CC(C)n1cnc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)n1	845971528	HURKPNJHARYBII-UHFFFAOYSA-N	372.212	2.126	10	10	FECE	
O=C(NCCCSc1nccs1)N1CCNC[C@@H]1c1cccnc1	841858087	SVBISOGASDBAEB-CQSZACIVSA-N	363.512	2.376	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@@H](CO)C[C@H]3C)C2)cc1	858551908	NMJLOASANFKNLX-BRWVUGGUSA-N	361.486	2.324	10	10	FECE	
C[C@H](NC[C@@H](O)c1ccnn1C)c1cc(Br)cc(F)c1O	927137525	XFPYNXVNVPBBRG-ISVAXAHUSA-N	358.211	2.412	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)CN3CCCCC3)C2)cc1	852181165	CVFYDCGTKMMBSF-DLBZAZTESA-N	360.502	2.448	10	10	FECE	
COc1ccc(N2CC[C@@H](NCc3cnc(N4CCOCC4)s3)C2)cc1	850345804	KUWXLSUJKSDIFR-OAHLLOKOSA-N	374.510	2.357	10	10	FECE	
C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1=O	750655667	BLIVYOPUMBJYFJ-ALKREAHSSA-N	370.497	2.436	10	10	FECE	
CCC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	855233083	WOXDSKUXKICJIV-MAUKXSAKSA-N	359.470	2.181	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3nccn3C(F)F)C2)cc1	852188893	QCLBZERSLOKUQE-GFCCVEGCSA-N	365.384	2.365	10	10	FECE	
COc1cccc([C@H]2CN(Cc3cc4c(cc3O)OC[C@@H]4O)CCO2)c1	768462506	MDHPGTMUJADKGM-AZUAARDMSA-N	357.406	2.400	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1C[C@@H](C)O[C@@H]1C	867223642	POSXLAXEARKVEF-JTNHKYCSSA-N	355.818	2.361	10	10	FECE	
CNc1ccc(NC(=O)C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1	861505247	AYDGQNJGMYDNNU-MRXNPFEDSA-N	368.437	2.071	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)CN3CC[C@@H](NC(N)=O)C3)c2C)c1	762924806	GIERVPFVZIVJGG-MRXNPFEDSA-N	354.454	2.328	10	10	FECE	
O=C([C@H](c1ccccc1)N1CCC(O)CC1)N1Cc2cccc(O)c2C1	871202766	FNSBGXTYSPGFOX-FQEVSTJZSA-N	352.434	2.432	10	10	FECE	
CCC1(CC)CN(Cc2cc(OC)c(OC)cc2O)CCS1(=O)=O	777579449	CALVXAIYXHJACQ-UHFFFAOYSA-N	357.472	2.199	10	10	FECE	
O[C@@H](CNc1ccccc1OC[C@H]1CCCCO1)CC1(O)CCOCC1	872210837	ONCNSKVAGWNCET-IAGOWNOFSA-N	365.470	2.339	10	10	FECE	
CNC(=O)CC(=O)OCC(=O)c1cc(C)n(-c2ccc(C)c(F)c2)c1C	789098500	OXAJOMXUWNRTGP-UHFFFAOYSA-N	360.385	2.404	10	10	FECE	
C[C@@H](CN1CCOCC1)C(=O)N(Cc1ccco1)Cc1ccccc1O	783651692	ZBBISZKBMHSVLR-INIZCTEOSA-N	358.438	2.482	10	10	FECE	
CCn1cc([C@@H]2C[S@@](=O)CCN2Cc2cc3c(cc2O)CCC3)cn1	792714707	FDZJMNBMIIYRRL-BVZFJXPGSA-N	359.495	2.403	10	10	FECE	
CN1CCCc2cc(CNC(=O)CC[C@@H]3CC[C@H](C4OCCO4)O3)ccc21	895980918	OUAUJZMEEPDTJB-PKOBYXMFSA-N	374.481	2.386	10	10	FECE	
CNC(=O)C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1	795602351	CFGKNOOGWBTRNK-HXUWFJFHSA-N	353.466	2.490	10	10	FECE	
COc1ccc(C2=NO[C@@H](CNC(=O)c3c(F)ccc(O)c3O)C2)cc1	1306831841	XOLDBMQRMUBPQX-GFCCVEGCSA-N	360.341	2.169	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCCN(C(=O)OC)CC2)c([N+](=O)[O-])c1	1318150548	JRZFPYBCGNWGGK-FNORWQNLSA-N	363.370	2.060	10	10	FECE	
Cn1ncc(I)c1CNCCCc1ccc(N)cc1	2133341385	XSTJQHYFDJFCEI-UHFFFAOYSA-N	370.238	2.329	10	10	FECE	
COc1ccc(CNC[C@]2(C)CCN(C(=O)[C@@]34COC[C@@H]3C4)C2)cc1C	1278498714	PPEFNVAIVJBSKR-YYWHXJBOSA-N	358.482	2.368	10	10	FECE	
COC(=O)c1ccc(NC(=O)/C(=C/C2=S=CC=C2)NC(C)=O)cc1C	1464865021	XAOSEWRWJOKGNS-YBEGLDIGSA-N	358.419	2.018	10	10	FECE	
C[C@@H](NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C(F)F	2136254464	XQOGQXFMPYCBKN-KOLCDFICSA-N	374.384	2.303	10	10	FECE	
CCc1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1CC(C)(C)O	1546516962	XOIDPZYBMHAJFR-UHFFFAOYSA-N	373.501	2.337	10	10	FECE	
COc1nccc2cc(NC(=O)/C(=C/C3=S=CC=C3)NC(C)=O)ccc12	1628000400	ZEGYBVBXLYGUDR-BOPFTXTBSA-N	367.430	2.480	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc2nnc(O)n2c1	1623549903	MNLYDSGUPWNBHK-UHFFFAOYSA-N	351.410	2.307	10	10	FECE	
CCOC(=O)[C@](C)(CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1	1634184709	AKSYCLHGNXKXIH-HXUWFJFHSA-N	357.406	2.278	10	10	FECE	
Cn1cnc2cncc(C(=O)NCc3cccc(Br)c3O)c21	1634725424	XKTGBLCLCKCJHA-UHFFFAOYSA-N	361.199	2.366	10	10	FECE	
Cn1cc(C(=O)NCc2c(O)cccc2O)c(-c2ccc([N+](=O)[O-])cc2)n1	1597568237	CKVSQSRFBQKCFR-UHFFFAOYSA-N	368.349	2.337	10	10	FECE	
CN(C)c1ccc([C@H](NC(=O)c2ccc(CN)cc2)c2nccn2C)cc1	1866013191	VNKPIULWZQCMPA-IBGZPJMESA-N	363.465	2.464	10	10	FECE	
C[C@H](NC(=O)[C@@H](CCN(C)C)NC(=O)OC(C)(C)C)c1ccccc1O	827959590	BTHSIYDEWKWUDZ-DZGCQCFKSA-N	365.474	2.414	10	10	FECE	
COc1ccc(Br)c(CN[C@H](C)[C@@H](CO)SC)c1O	1964050016	XTWNNBUMEHOTFM-PRHODGIISA-N	350.278	2.365	10	10	FECE	
OC[C@]1(C(F)(F)F)CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1	895837953	RZTAGJDTCRZLQP-KRWDZBQOSA-N	358.404	2.394	10	10	FECE	
C[C@H](c1cc(Br)ccc1O)N1C[C@@H]2CS(=O)(=O)C[C@H]2C1	2144164079	DJYSUAITVLBEFT-GMTAPVOTSA-N	360.273	2.192	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NCc1ccc(F)c(F)c1O	2036602094	KHWOEPHISIZXHQ-WCQYABFASA-N	358.385	2.300	10	10	FECE	
CN[C@H](C)c1ccc(N2CCCS(=O)(=O)CC2)cc1Br	300520568	ODKFLCZABVNEHP-LLVKDONJSA-N	361.305	2.354	10	10	FECE	
CC(C)[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(O)c(O)c(O)c1	2068617087	GMJHVSUSRGURMX-LLVKDONJSA-N	354.403	2.083	10	10	FECE	
CC(C)(C)OC(=O)NCCCN1CCN(Cc2cc(N)ccc2O)CC1	2226066651	WRINWCFHDYBRJT-UHFFFAOYSA-N	364.490	2.007	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](CNCc2ccccc2O)[C@H]1OC	2264762772	NSNXWTVEVHBBTR-USXIJHARSA-N	366.458	2.131	10	10	FECE	
O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(Br)o1	2293168083	ZGMBYGVZIKUKEF-UHFFFAOYSA-N	365.139	2.297	10	10	FECE	
CCN(CC)c1ccc(C=C2C(=O)NC(=O)N(C[C@H]3CCCO3)C2=O)cc1	2296732993	JMMZNRHHHLCSTO-MRXNPFEDSA-N	371.437	2.174	10	10	FECE	
COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1O	2297327227	ZDVPDIRGOFWLED-UHFFFAOYSA-N	354.387	2.232	10	10	FECE	
CCc1nsc(N2CCCN(C(=O)C=Cc3ccc(O)c(O)c3)CC2)n1	2307987725	GZIVFJGBAJJMGF-UHFFFAOYSA-N	374.466	2.264	10	10	FECE	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccccc1[N+](=O)[O-]	2313558349	YRYCOVYDMKNSOG-UHFFFAOYSA-N	355.281	2.400	10	10	FECE	
CCc1cc(CN2CC[C@H](NS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1	116869939	MVNPIMQPGSBFHI-HNNXBMFYSA-N	354.516	2.376	10	10	FECE	
CN(C)c1ccc(CNCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc1	171131201	UPRHUOPQMZSQMO-HXUWFJFHSA-N	352.438	2.097	10	10	FECE	
COc1cc(C)cc(CN2CCN(C3C[C@@H]4CC[C@H](C3)N4C)CC2)c1O	124683080	ZJWLEWLUJRVLOY-DFNIBXOVSA-N	359.514	2.452	10	10	FECE	
CCc1c(C(=O)NCCCSc2nccs2)[nH]c(C)c1C(N)=O	122748125	VMIPRVKATJOUGQ-UHFFFAOYSA-N	352.485	2.353	10	10	FECE	
CCCN1CCCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CC1=O	190995658	JKNWIUWFDGXMQM-SOFGYWHQSA-N	361.398	2.230	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3CCO[C@]4(CCCOC4)C3)ccc21	287420019	FYZKFHHODFAVSA-HXUWFJFHSA-N	359.470	2.160	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc(C(=O)OC(C)(C)C)cn1	282992136	GEVIZWUCVIGZJG-NSHDSACASA-N	373.409	2.204	10	10	FECE	
Cc1ccc(CNC(=O)[C@H](N)CC(C)(F)F)c(O)c1Br	2381146282	KQIKCDBFUWONDV-SECBINFHSA-N	351.191	2.452	10	10	FECE	
C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)CCOc1ccc(N)cc1	2162990523	XJXSABAKIQPYKO-AAEUAGOBSA-N	373.375	2.096	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1ccn(-c2ccc(N)cc2)n1	2162516657	SUMBAUNVYMMNCT-OLZOCXBDSA-N	373.457	2.486	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Nc3ncn(C(C)(C)C)n3)C2)cc1	822543767	LNNQVKMZEJSWGO-CYBMUJFWSA-N	358.446	2.442	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCC(C(=O)N3CCOCC3)CC2)cc1	835024989	FJPRUVZSQVVEMX-ARJAWSKDSA-N	357.498	2.337	10	10	FECE	
COC(=O)C1CCC(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)CC1	914014114	NOJLQQTVZPSNRG-UHFFFAOYSA-N	372.462	2.043	10	10	FECE	
C[C@H]1CN(c2ccc(CN3C(=O)N[C@@H](CCF)C3=O)cc2F)C[C@@H](C)O1	844715886	BQKMLHAKGVUAPL-ZOWXZIJZSA-N	367.396	2.219	10	10	FECE	
O=C(O)/C=C/c1ccc(N2CCC[C@H](Cn3ccnn3)C2)c([N+](=O)[O-])c1	844214506	GKBKGTBYAOPBFP-YVZNUBBCSA-N	357.370	2.201	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)NCCCNCc1cccnc1	841826300	GWZYREVVTSHFJW-UHFFFAOYSA-N	355.486	2.435	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H](C3CCC3)C2)c1	856174516	ZGJNODPIHPAALI-ZDUSSCGKSA-N	352.456	2.416	10	10	FECE	
C[C@@H]1CC2(CO1)CC(NCc1ccc(N3CCC(C(N)=O)CC3)cc1)C2	926874523	UVHANXYKDZKVBB-AZOSJMHDSA-N	357.498	2.436	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(S(C)(=O)=O)cs2)c1	767795295	NXQFJGYRMRSARA-SECBINFHSA-N	355.437	2.357	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2CN1	861590607	URVCRJAQRYWVMG-IJXRJRJASA-N	352.482	2.202	10	10	FECE	
C[C@@H](NC(=O)NCc1noc(C2CC2)n1)c1ccc(N2CCOCC2)cc1	763483853	ANWWEWKOSIHZHX-CYBMUJFWSA-N	371.441	2.344	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnc(O)cc3C)CC2)c(OC)c1	870165555	ZSGMOHCKRJYLMS-UHFFFAOYSA-N	357.410	2.075	10	10	FECE	
Cc1cccc(CNC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1O	776252713	OSBAICCQSVBUSR-VQTJNVASSA-N	365.477	2.389	10	10	FECE	
Cc1cn2c(n1)CN(C(=O)N[C@H](C)c1ccc(N3CCOCC3)cc1)CC2	782717531	UBOQYVZOTFQUJO-MRXNPFEDSA-N	369.469	2.315	10	10	FECE	
CCN(CC)c1ccc(CNS(=O)(=O)c2c(Cl)cnn2C)cc1	797443053	NTFQOARZBGCAEY-UHFFFAOYSA-N	356.879	2.398	10	10	FECE	
CCNCc1ccc(N2CCS(=O)(=O)[C@@H](C)C2)c(Br)c1	707151841	LVPGKKFHOPJKMW-NSHDSACASA-N	361.305	2.182	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NCc2cc(F)cc(F)c2O)C1	2116265936	AOTJSDIEHHRENR-ABAIWWIYSA-N	372.412	2.378	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2124541310	QZJQOVSIJJYTTI-MELADBBJSA-N	367.450	2.465	10	10	FECE	
CCc1cccc(CN=c2nc(CCNC(=O)OC(C)(C)C)[nH][nH]2)c1O	2126783419	GYSKJEXPGPBVAM-UHFFFAOYSA-N	361.446	2.174	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)N1CC(Cc2ccoc2)C1	1354471881	MGBZTNBFSSPBAT-UHFFFAOYSA-N	365.480	2.036	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c(C)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1	1510675614	SWMRJJKMDPDZGJ-SJORKVTESA-N	371.441	2.123	10	10	FECE	
Cc1cc(Cn2nnc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)c2C)no1	1537679967	PEJWFHZFSWGDED-ZDUSSCGKSA-N	368.441	2.488	10	10	FECE	
COc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)ncn1	1534309534	USZDDQFZOKUANV-STQMWFEESA-N	374.416	2.168	10	10	FECE	
Cc1ccc(C(=O)N2CCC(n3c(O)nc4cccnc43)CC2)c(O)c1O	1471822371	NOHNWERUGFYNKB-UHFFFAOYSA-N	368.393	2.334	10	10	FECE	
CN(C)C(=O)/C=C\C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	1611011821	XTFLKTQVIKNDQU-FPLPWBNLSA-N	367.396	2.017	10	10	FECE	
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2Cc3cccc(O)c3C2)c1	1471355797	VSZBUUMOBAKQLB-UHFFFAOYSA-N	353.378	2.465	10	10	FECE	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccnc(CO)c2)cc1	1631612747	XDAUVZTYDHTEFG-HXUWFJFHSA-N	369.465	2.461	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H](c2nnc(O)o2)C1	1639299164	XANUSNWNYCHBDZ-MRVPVSSYSA-N	361.379	2.421	10	10	FECE	
C[C@@H](NC(=O)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O	1642827429	INKJMJHIJOXECU-KYOSRNDESA-N	350.415	2.252	10	10	FECE	
CN(C)c1ccc(CNC(=O)Cn2cc(-c3ccccn3)ccc2=O)cc1	1652933167	JNDUJURTFCKBMB-UHFFFAOYSA-N	362.433	2.293	10	10	FECE	
Cc1cccc2c1O[C@@H](C(=O)NCc1ccc(N3CCN(C)CC3)cc1)C2	1598276961	ILSOVSVBJVYSLD-HXUWFJFHSA-N	365.477	2.367	10	10	FECE	
COc1cc(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)ccc1CO	2139685217	PCCYOLSYDHKBET-TZIWHRDSSA-N	354.450	2.277	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)c2cnccn2)N2CCCCC2)cc1	1866102329	MEHOVVIDSBGUIH-IBGZPJMESA-N	353.470	2.500	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)NCCc1ccc(O)c(O)c1)C1CC1	1962849867	AGEJBVANAKFHFX-HNNXBMFYSA-N	350.415	2.060	10	10	FECE	
COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NCc2c(C)cccc2O)C1	1967838593	CZUKZOAQXMQFKA-HJGJAMNPSA-N	364.442	2.389	10	10	FECE	
CN(Cc1ccccc1O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1O	1990868678	MLJBUOCKXAGOPT-MJGOQNOKSA-N	356.422	2.206	10	10	FECE	
O=C(OCc1ccccc1)N1C[C@H](NCc2ccc3c(c2)CCO3)[C@H](O)C1	1997819444	DQQKTTQXAKMMLB-RBUKOAKNSA-N	368.433	2.093	10	10	FECE	
OC[C@@H]1C[C@@H]1NCc1cc(Br)cc(Br)c1O	309517138	AHEMOTTXHXZGKA-XVKPBYJWSA-N	351.038	2.388	10	10	FECE	
O=S1(=O)CC[C@@]2(CCCN2Cc2cc(Br)ccc2O)C1	2158459098	XBZZJTQYOKVRLE-AWEZNQCLSA-N	360.273	2.308	10	10	FECE	
Nc1cc2c(cc1N1C[C@H]3CN(Cc4ccccc4)C[C@@H]3C1)NC(=O)CO2	705968963	SJCBOQSUKQKMPL-HZPDHXFCSA-N	364.449	2.168	10	10	FECE	
C[C@@H](N)c1ccc(N(C)C2CCS(=O)(=O)CC2)c(Br)c1	694172514	COSGRKYMQLMWHM-SNVBAGLBSA-N	361.305	2.482	10	10	FECE	
CCCS(=O)(=O)CCN(C)c1ccc(CNC)c(Br)c1	2170442778	GFFIBCLVMSCLMP-UHFFFAOYSA-N	363.321	2.430	10	10	FECE	
CC(C)(C)OC(=O)NCC1CCN(C(=O)c2ccc(O)c(O)c2)CC1	2054416214	VHQDHTNCSIBJPU-UHFFFAOYSA-N	350.415	2.475	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)C1	2060618018	UQUMULGHQQCYOF-XHBSWPGZSA-N	353.423	2.360	10	10	FECE	
CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2060610181	FIVFQIJBSXKWLV-OLZOCXBDSA-N	354.455	2.133	10	10	FECE	
CO[C@@]1(C(=O)N2CC[C@H](N=[N+]=[N-])C2)CCCN(C(=O)OC(C)(C)C)C1	2060614105	YIKQALZYKSSPMQ-LRDDRELGSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](C(=O)N1CC[C@@H](N=[N+]=[N-])C1)[C@H]1CCOC1	2060612956	LYFYUPFIRUWCFU-XQQFMLRXSA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2060611115	PGSAUPKYQCTSLR-BLLLJJGKSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C(=O)NCC2(CN=[N+]=[N-])CC2)C1	2073948550	BIKLHGOBLDRWNX-RYUDHWBXSA-N	353.423	2.265	10	10	FECE	
C[C@H]1C[C@H](CNC(=O)COc2ccc(N)cc2)CN1C(=O)OC(C)(C)C	2106264148	GSMRHCHHZFEIRA-UONOGXRCSA-N	363.458	2.409	10	10	FECE	
Nc1ccc(CCC(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1	2106701365	ONGKQWCRBZPOOM-ZDUSSCGKSA-N	357.376	2.119	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](NCc2cccc(O)c2O)C[C@]12CCOC2	2098976741	RNHNBVMHGQRNCS-KUHUBIRLSA-N	364.442	2.356	10	10	FECE	
COC[C@@]1(C(=O)NCCCCN=[N+]=[N-])C=CCN1C(=O)OC(C)(C)C	2314775419	KJXKKYKPVHNQKJ-MRXNPFEDSA-N	353.423	2.385	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)C(=O)c1ccc(Br)cc1	122642285	DWLGXBWSCWFDIJ-UHFFFAOYSA-N	364.195	2.402	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N[C@H]3CCc4ncnn4C3)cc2)CC1	112749797	ZSRUDOSSMGQKRP-KRWDZBQOSA-N	368.485	2.329	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(c2cc(C3CC3)n[nH]2)CC1	189961782	JFNJNHXYHAASGB-QHHAFSJGSA-N	354.410	2.060	10	10	FECE	
COCCN1CCCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1=O	189311457	CWKMVGARDYOWNI-UHFFFAOYSA-N	369.465	2.415	10	10	FECE	
COc1ccc(CN2CC[C@@H]2CNCc2cc3c(cc2O)OCO3)cc1	527775346	SQAVWWSIWJGBFG-MRXNPFEDSA-N	356.422	2.494	10	10	FECE	
Nc1ccc(N(C(=S)N[C@@H]2CCS(=O)(=O)C2)c2ccccc2)cc1	244169785	VCVPFISKQWUGDS-CQSZACIVSA-N	361.492	2.469	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC[C@H](Cn3cncn3)C2)c([N+](=O)[O-])c1	255037116	UVCZEUDLUGCMMK-PKYBCLHXSA-N	371.397	2.289	10	10	FECE	
CC(C)(C)C(=O)N1CCO[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1	365662285	RRJRJAOPISKDQI-GOSISDBHSA-N	374.481	2.161	10	10	FECE	
Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1Cc1cc(F)ccc1O	361065710	IANDFMORQDVDPL-GOSISDBHSA-N	354.385	2.161	10	10	FECE	
CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@]2(CCOC2)O1	365413960	YLUUMKVSTRSDMH-BEFAXECRSA-N	365.449	2.371	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H]2CC23CCSCC3)c1	817620766	JZAUSDMIIASBDN-LLVKDONJSA-N	370.496	2.027	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc2oc(O)nc12	816897210	ARNQQYSMMYCZBQ-UHFFFAOYSA-N	353.378	2.300	10	10	FECE	
CN1CCN(C[C@@H](O)COc2ccc(N3CCCCC3)c(Cl)c2)CC1	817570924	JWRKRMLWHMOSLE-MRXNPFEDSA-N	367.921	2.317	10	10	FECE	
O=S(=O)(NC1CCCC1)C1CN(Cc2cc(Cl)c(F)cc2O)C1	816567173	SHLXILCWEWUMSS-UHFFFAOYSA-N	362.854	2.231	10	10	FECE	
COC[C@@H](C)n1ccc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)n1	822811471	FUJSNRUEMIXSMI-HUUCEWRRSA-N	373.457	2.500	10	10	FECE	
COc1cccc(CNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c1O	729859213	KPKVZAUUCYXCCF-UHFFFAOYSA-N	369.826	2.144	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)N1CCC[C@@H](CCF)C1	828238240	FYMZXDUICKAIIL-LBPRGKRZSA-N	359.492	2.340	10	10	FECE	
CCOC(=O)[C@H]1Cc2cccc(F)c2N(C(=O)/C=C/c2cnn(C)c2)C1	844641125	JAWZFLAMDIRIGF-KIUWMYQTSA-N	357.385	2.341	10	10	FECE	
COCC1(CS(=O)(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCC1	849417217	LZDHKMNVFVEOAL-HNNXBMFYSA-N	368.499	2.010	10	10	FECE	
CN(C)c1ccc([C@H](N)CNS(=O)(=O)C[C@@H]2CCCC2(F)F)cc1	842785015	KKJIFZKUYGTBES-DZGCQCFKSA-N	361.458	2.107	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cccc(-n4cccn4)n3)C2)cc1	855230727	IRXOJRAGKHCXDY-HNNXBMFYSA-N	363.421	2.285	10	10	FECE	
CN1CCN(c2ccc(CNC[C@H]3CCC4(CCOCC4)O3)cc2)CC1	922810607	NZAPQOOEAYGHIP-HXUWFJFHSA-N	359.514	2.256	10	10	FECE	
CCOC(=O)[C@@H](Cc1ccccn1)NCc1cc(OC)c(OC)cc1O	763479536	KTQIDGRWLHSBPF-OAHLLOKOSA-N	360.410	2.068	10	10	FECE	
Cc1ccc(O)c(CNC(=O)c2c(Br)nc3n2CCOC3)c1	862754491	ZMRNQPXBXIFHAX-UHFFFAOYSA-N	366.215	2.120	10	10	FECE	
Cc1cc(Br)c(O)c(CNCc2nnnn2CC2CC2)c1	769935293	BSVMUDHPEXBWOD-UHFFFAOYSA-N	352.236	2.149	10	10	FECE	
COc1ccc(N2CCCN(C(=O)C3CN(CC(F)(F)F)C3)CC2)cc1	776338190	GGKKBKGRGGTJDR-UHFFFAOYSA-N	371.403	2.228	10	10	FECE	
C/C(=C/C(=O)N1CCCc2cccc(S(C)(=O)=O)c21)c1cnccn1	1121126661	RPSYXEJKZAJVLJ-QBFSEMIESA-N	357.435	2.263	10	10	FECE	
C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O	792532954	GBEOIJFZRANWFY-LDYMZIIASA-N	366.361	2.177	10	10	FECE	
CCC[C@H](CNC(=O)N1CCN(c2ccc(OC)cc2OC)CC1)OC	1228975270	WGJGBKSWAULUTC-MRXNPFEDSA-N	365.474	2.351	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)N2CC[C@H](N=[N+]=[N-])C2)OCC12CC2	2128596919	JXFSBUKRYZEEDF-QWHCGFSZSA-N	365.434	2.456	10	10	FECE	
CCOc1ccccc1[C@H](CC(=O)NCc1cc(O)ccc1O)NC(C)=O	1176747862	DATROBRFTANPGJ-KRWDZBQOSA-N	372.421	2.380	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2cc(O)ccc2O)C1	1176755272	NWAMQLPSGKWIMI-LIRRHRJNSA-N	362.426	2.361	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)c1nc(NC(=O)Cc2ccc(N)cc2)n[nH]1	2130117823	AIILGSRTLSASSC-SNVBAGLBSA-N	360.418	2.154	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2cc(O)c(O)c(O)c2)C1	2132404377	RFMWWANMVPHIRQ-NSHDSACASA-N	366.414	2.132	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1CC1(O)CCN(C(C)C)CC1	1511775289	JARLLMXYCATJTH-UHFFFAOYSA-N	373.501	2.164	10	10	FECE	
COC(=O)[C@](C)(CO)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C	1451214262	UMIJYWNKNSKGNR-SFHVURJKSA-N	364.829	2.401	10	10	FECE	
O=C(NCc1cc(Cl)ccc1O)NCc1nnnn1-c1ccccc1	1478962752	UKISNUCBZZHOHO-UHFFFAOYSA-N	358.789	2.021	10	10	FECE	
CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)Cc1ccc(O)c(O)c1	1627079341	LJAWQTZJTYJHML-UHFFFAOYSA-N	361.369	2.371	10	10	FECE	
O=C(Nc1cccc(N2CCOCC2)c1)c1ccc2c(O)ncnc2c1	1625273941	SRVRWWQDWKVJJO-UHFFFAOYSA-N	350.378	2.424	10	10	FECE	
O=C(N[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1)c1ccccc1	1565977657	CDTGJTSMJSGTCE-INIZCTEOSA-N	354.406	2.061	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)c1cccc(-n2[nH]nnc2=N)c1	1568137439	RTCHYHJJBKRXAU-UHFFFAOYSA-N	366.425	2.223	10	10	FECE	
Cc1cccc(CNC(=O)CN(CCN(C)C)C(=O)OC(C)(C)C)c1O	2139761429	YBWFOTVTGGBTBJ-UHFFFAOYSA-N	365.474	2.116	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1NC(=O)CC1(C)C	1694638322	XCTIRFIQUYLVDP-OAHLLOKOSA-N	357.458	2.097	10	10	FECE	
CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc(Cl)cc1	13654523	IWYNAQVDYDYAGD-HRYODUOUSA-N	353.831	2.041	10	10	FECE	
CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H]1NCc1ccc(O)cc1O	310808203	AYPUCVTYTAELQT-FVQBIDKESA-N	352.431	2.258	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNC(=O)c1ccn(-c2ccc(N)cc2)n1	2163220751	YVSYRUUCPGLXQG-MLGOLLRUSA-N	371.441	2.098	10	10	FECE	
[N-]=[N+]=NC[C@@H]1CCCN(S(=O)(=O)N2CC(OCc3ccccc3)C2)C1	2043673083	NBZULKWLJAUSCL-HNNXBMFYSA-N	365.459	2.155	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CC12CCC2	2049783715	ZRTVYILJUUAFTA-VLXJIEOASA-N	350.459	2.337	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)[C@H]1C(=O)NCCc1ccc(O)c(O)c1	2060369098	NOIIINFMEBDYCH-XHDPSFHLSA-N	350.415	2.012	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCC(N=[N+]=[N-])CC2)CO1	2060611519	VESNQSMBXBLFRV-AAEUAGOBSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](CO)(NCc2cc(F)ccc2O)C1	2070031098	OLXRSYJBLWIHGO-GOSISDBHSA-N	354.422	2.383	10	10	FECE	
C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(C)(C)NC(=O)OC(C)(C)C	2076558967	QNAAJXOQCVDYAD-SECBINFHSA-N	354.403	2.225	10	10	FECE	
C[C@@H](NC[C@@H]1CN(C)CCN1C(=O)OC(C)(C)C)c1ccc(O)cc1O	2098262362	DLFTXSDCYHAEEU-ZIAGYGMSSA-N	365.474	2.300	10	10	FECE	
CC(C)(C)OC(=O)NCCc1n[nH]cc1C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2227024530	JKYWNXWOMBWHQL-NSHDSACASA-N	363.422	2.392	10	10	FECE	
COc1ccc(N2C(=O)C(=Cc3ccc(C)o3)C(=O)NC2=S)c(OC)c1	2297551865	ASAOFYDUIVILKP-UHFFFAOYSA-N	372.402	2.437	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)C[C@@H]1COCC[C@H]1NC(=O)OC(C)(C)C	2315987047	MNVDZNAWOZOQOU-CHWSQXEVSA-N	355.439	2.465	10	10	FECE	
COc1ccc(N2CCN(C(=O)C[C@@H](C)NC(=O)C3CCCC3)CC2)cc1	171350582	IESHAVBYFSXPMD-MRXNPFEDSA-N	373.497	2.429	10	10	FECE	
CC[C@H]1Oc2ccc([N+](=O)[O-])nc2N(CCOc2ccc(N)cc2)C1=O	75261261	NIRCFNYZGYLCIK-CYBMUJFWSA-N	358.354	2.155	10	10	FECE	
Cc1ccccc1S(=O)(=O)N1CCN(c2ccc3c(c2)OCCO3)CC1	41380337	VQTZVSPVVJEWEG-UHFFFAOYSA-N	374.462	2.277	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)c3ccn(C)c3C)CC2)cc1	194988565	QHDPXMYKFCYXBB-UHFFFAOYSA-N	370.497	2.284	10	10	FECE	
CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1	274982673	XPCADTYSRZCMRX-GFCCVEGCSA-N	363.435	2.252	10	10	FECE	
Cn1ccnc1[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1	373055214	DWAQNQFWCSLULU-LLVKDONJSA-N	357.370	2.043	10	10	FECE	
Cc1ccc(CN=[S@](C)(=O)N2CCOCC2)c(O)c1Br	2381144035	WNBRVSPPCXFQLK-FQEVSTJZSA-N	363.277	2.308	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)[C@H]1CCCC12OCCO2	804738851	HBYORFRBWMFXLZ-GFCCVEGCSA-N	356.216	2.314	10	10	FECE	
CCO[C@@H]1CN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C[C@H]1CN	653249299	WCIMUVKUZCNYMU-YLJYHZDGSA-N	373.497	2.340	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCC[C@@H](CCF)C1	828496999	NYCVXZHUIZQVKV-KRWDZBQOSA-N	359.445	2.277	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CC(c2ccccn2)=NO1	906110782	HKLFXIHYQIOPQL-LJQANCHMSA-N	350.422	2.491	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc3c(c2)CCC3=O)c1	835120349	YIXWMMVTUGNEMI-NSHDSACASA-N	368.389	2.346	10	10	FECE	
CCC[C@H](C)N1C[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O	917515713	DHLFNUUWCHUNCV-DLBZAZTESA-N	373.497	2.381	10	10	FECE	
Cc1cc(O)c(CN2CCC(N3CCS(=O)(=O)CC3)CC2)c(Cl)c1	840939706	PNBNRGKBHAEYHZ-UHFFFAOYSA-N	372.918	2.049	10	10	FECE	
Cn1nccc1[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)OC(C)(C)C	844099238	JRAGFEXSMAUSEJ-DBWMJRBXSA-N	373.409	2.044	10	10	FECE	
C[C@@H]1C[C@H](N[C@@H]2CCN(c3ccc4nncn4n3)C2)c2c(O)ccc(F)c21	858488675	JUQZPSWVBLFHMO-BZPMIXESSA-N	368.416	2.386	10	10	FECE	
COc1ccc(N(CC(=O)O)CC(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)cc1	853010556	FRQAQCHWQLVZMH-IRXDYDNUSA-N	372.824	2.407	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CNC(=O)c3ccccc3C)C2)cc1	855228836	HHYRPXWZSKEUGY-MRXNPFEDSA-N	367.449	2.129	10	10	FECE	
CCCN1CC[C@@H](CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	852186035	APHVLJBBTJXBNV-DLBZAZTESA-N	360.502	2.305	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H]4CCC[C@]4(CO)C3)C2)cc1	875717219	YEBVTXZAFZPOLM-TWOQFEAHSA-N	359.470	2.078	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)C3(C(F)F)CCC3)cc2)CC1	1119512296	AXSCIDAVZAYKQT-UHFFFAOYSA-N	365.424	2.440	10	10	FECE	
COc1ccc([C@H](C)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(O)c1	702796629	NZPRILAYOIGMKN-OGHNNQOOSA-N	366.458	2.279	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCCNc1ccc(-c2ccccc2)nn1	1137261053	XANRLYGOIREJIV-UHFFFAOYSA-N	364.405	2.326	10	10	FECE	
CC(C)n1cc(S(=O)(=O)NCc2cc(Br)ccc2O)cn1	796191995	SRMYDGYRSLUIKZ-UHFFFAOYSA-N	374.260	2.411	10	10	FECE	
O=C(N=c1cc[nH]cc1)c1cccc(CNC(=O)c2cccc(O)c2O)c1	790719642	DTLZECWJEHGXHV-UHFFFAOYSA-N	363.373	2.097	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@H]2CN(c3ccc(F)cc3)C2=O)cc1	1154032593	ORSUYTUBZOTBDT-AWEZNQCLSA-N	355.329	2.133	10	10	FECE	
Cc1cc(C(=O)N2CCN(C)C[C@H]2CO)c(C)n1-c1cccc(Cl)c1	1168538095	NZASFCUZEPKUSI-KRWDZBQOSA-N	361.873	2.496	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC[C@H](CN=[N+]=[N-])C2)CC1	2124543784	WHIKZHRBVKUPJL-CQSZACIVSA-N	366.466	2.088	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)CO1	2124505194	IVDTUKWCHZPGKD-RDBSUJKOSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](O)(C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C1	2126934380	TZGXVQPZWWJDJP-GUYCJALGSA-N	367.450	2.440	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)Cc1ccco1	1347753216	YIXSTEBUDAKKKP-DOMZBBRYSA-N	361.394	2.160	10	10	FECE	
COC(=O)c1ccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)cc1OC	1466084010	BJBIWJJKSRBSPA-YVMONPNESA-N	357.362	2.223	10	10	FECE	
COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H](C)C3(C)CC3)CC2)cc1	1602976099	XSEAQTZCVYRZGA-HLRDLLSLSA-N	371.481	2.205	10	10	FECE	
CC[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)N1CCO[C@H](CC)C1	1624954634	KEZBCCMKZFWPFJ-IMJJTQAJSA-N	350.459	2.034	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CC(=O)NCc1ccc(O)c(O)c1)C(F)F	1635959226	GCXXCPJPEZXWBF-SNVBAGLBSA-N	360.357	2.263	10	10	FECE	
O=C(NCc1cccc(Cl)c1O)c1ncnc(O)c1Br	1637232413	SHEIHCHTAIVLPQ-UHFFFAOYSA-N	358.579	2.234	10	10	FECE	
CC1=C(C(=O)NCc2c(O)ccc3ccccc23)[C@@H](C)n2nnnc2N1C	1647791276	MXKBJICOVQGYKN-GFCCVEGCSA-N	364.409	2.133	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)[C@@H]2CNCc1ccc(O)c(O)c1O	2138791439	CGWMOYYSDNGVBM-MCIONIFRSA-N	364.442	2.396	10	10	FECE	
COCCN1CCC[C@@H]1CN[C@H](C)c1ccc(N2CCC(O)CC2)cc1	163277138	AFORNORYULNKGC-YLJYHZDGSA-N	361.530	2.409	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)c2ccnc(N3CCN(C)CC3)c2)c1	153849825	ZTISBGVOCZNCJC-AWEZNQCLSA-N	370.453	2.039	10	10	FECE	
COc1ccc(F)c(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c1	154739701	HHXGSRTVUHIHGP-UHFFFAOYSA-N	359.401	2.497	10	10	FECE	
Cc1cc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)c(C)n1-c1ccccn1	159919176	FVTADTAFQAHWFO-UHFFFAOYSA-N	361.467	2.138	10	10	FECE	
C[C@@H](N)c1ccc(N2C[C@@H]3[C@H](CCS3(=O)=O)C2)cc1Br	2145071359	GOAHZDRWWLJTIT-GPCCPHFNSA-N	359.289	2.092	10	10	FECE	
COCCOCCN(Cc1ccccc1)c1ccc2c(c1)N(C)C(=O)[C@@H]2N	2152215948	ZHLLSZRIKBOFCP-HXUWFJFHSA-N	369.465	2.332	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(Cc2c(O)cccc2F)[C@@H](C(=O)O)C1	2081046498	DMMHDQGMUYXKHI-CYBMUJFWSA-N	354.378	2.037	10	10	FECE	
C[C@@H]1CCN(CCCOc2ccc(N)cc2)C[C@@H]1NC(=O)C(F)(F)F	2106676355	ZCNKNUIJJMHSLA-DOMZBBRYSA-N	359.392	2.427	10	10	FECE	
C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)COc1ccc(N)cc1	2106778384	CRBQASGESDIJEZ-KBPBESRZSA-N	363.458	2.409	10	10	FECE	
C[C@@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)CC(=O)Nc1ccc(N)cc1	2106763332	CLEOIXWQTHOIPN-ZDUSSCGKSA-N	362.474	2.395	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](CNCc2ccc(O)c(O)c2)C[C@H]2COC[C@H]21	2097568314	UJCIYOQFGMKTSY-SOUVJXGZSA-N	364.442	2.212	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N1CCn2c(nnc2-c2ccccc2)C1	2308001708	HYOIIVZSBBBNBA-UHFFFAOYSA-N	362.389	2.412	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@]2(C(=O)NCC3(CN=[N+]=[N-])CC3)CO[C@H]1C2	2334184496	XVXWTWJIYHAOND-NVGCLXPQSA-N	365.434	2.265	10	10	FECE	
CCc1noc([C@@H](C)N2CCN(Cc3cc([N+](=O)[O-])ccc3O)CC2)n1	106137551	KPDJEUDOJFSMCJ-GFCCVEGCSA-N	361.402	2.125	10	10	FECE	
CCOc1ccc(-n2c(C)cc(C(=O)CN3C[C@@H](O)C[C@@H]3CO)c2C)cc1	184723932	JUWQCGPAPUYNMU-MSOLQXFVSA-N	372.465	2.103	10	10	FECE	
CCOC(=O)c1cc(CNCc2cc(Br)ccc2O)[nH]n1	1346044924	PDLBAIOAOVDVAA-UHFFFAOYSA-N	354.204	2.344	10	10	FECE	
COCCCNc1cc(N2CCN(c3ccc(OC)cc3)CC2)ncn1	242501828	BUKSZEZYCXQKFP-UHFFFAOYSA-N	357.458	2.260	10	10	FECE	
CCN(C(=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccccc1	242606328	CKZDBHPWNWCYAG-UHFFFAOYSA-N	367.449	2.397	10	10	FECE	
CCCC(=O)N1CCC(C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1	243891304	RQEAXHFBEAHUAL-UHFFFAOYSA-N	373.497	2.383	10	10	FECE	
NS(=O)(=O)C[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1	271208799	XEHZLTWXPMTEGY-VIFPVBQESA-N	353.271	2.200	10	10	FECE	
Cc1cc(Cl)cc(CN[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1O	809693358	UJZGBCHUMWIQKX-LLVKDONJSA-N	374.812	2.266	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@]3(C)C[C@@H]4C[C@@H]4C3)cc2)CC1	816379554	QSVUCEOUNSQBSL-RMFSNUHRSA-N	355.482	2.408	10	10	FECE	
C[C@@H](N[C@@H]1CCC(=O)N(C)C1=O)c1cc(Br)c(F)cc1O	818360738	BTNFXTMWUFLTCX-RDDDGLTNSA-N	359.195	2.092	10	10	FECE	
COC[C@@]1(C(=O)OC)CCCN1Cc1cccc(Br)c1O	827487983	BCYZOTBZUUMRSA-OAHLLOKOSA-N	358.232	2.309	10	10	FECE	
Cc1cc(CC(=O)N2CCS(=O)(=O)[C@H](C)C2)c(C)n1-c1ccccc1	828283912	MCZQCZVFPDTOND-OAHLLOKOSA-N	360.479	2.282	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NC[C@H](O)C(F)(F)F)cc1F	731404748	POGHKTWXZZTHDQ-ZDUSSCGKSA-N	351.344	2.394	10	10	FECE	
CN(C)c1ccc(CNC(=O)N[C@H]2CCCc3c2ccc(=O)n3C)cc1	844781857	LMKNXVGNBZNVFZ-KRWDZBQOSA-N	354.454	2.328	10	10	FECE	
COc1ccc(N2CC[C@@H](N[C@H](Cc3ccc(F)cc3)C(N)=O)C2)cc1	849323151	WGJNCJRXZOQXNA-VQIMIIECSA-N	357.429	2.099	10	10	FECE	
C[C@@H](NC(=O)NCCc1ccc(N)cc1)c1ncc(Br)cn1	841906967	KDFFNSGXMIPPKQ-SNVBAGLBSA-N	364.247	2.424	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@]12C[C@H]3C[C@H](C(=O)N1)[C@H]2C3	844579373	BOQPVHWKUCEPFW-LLZYXNJHSA-N	355.482	2.023	10	10	FECE	
O=C(NCC[C@]1(O)CCOC1)N(Cc1ccco1)Cc1ccccc1O	845449546	AILIKACZSGQDOV-IBGZPJMESA-N	360.410	2.239	10	10	FECE	
COc1ccc(N2CCN(CCCNCc3cc4n(n3)CCC4)CC2)cc1	850013381	AZRWPEKPGNEOCW-UHFFFAOYSA-N	369.513	2.140	10	10	FECE	
C[C@H](NC[C@H](O)c1ccnn1C)c1cc(Br)cc(F)c1O	927137527	XFPYNXVNVPBBRG-SDBXPKJASA-N	358.211	2.412	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cnn(-c4cccnc4)c3)C2)cc1	855233768	MKVHHNMJHYUROB-INIZCTEOSA-N	363.421	2.285	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc(C4CCNCC4)no3)CC2)cc1	852772845	REGWURWTCBNYSK-UHFFFAOYSA-N	370.453	2.113	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)N3CC(C)=C[C@@H](C)C3)CC2)cc1	797439859	HQBIDLCOHOEXOC-QGZVFWFLSA-N	372.513	2.425	10	10	FECE	
CC(C)(CNCc1cccc(Br)c1O)CS(C)(=O)=O	723848340	BSONDIWXORFCDF-UHFFFAOYSA-N	350.278	2.315	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C[C@@H]2OCC[C@H]21	2124503157	IDFTWZSDDAKGLN-MQYQWHSLSA-N	365.434	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C[C@@H](O)C1	2124538935	PANVMNPAEPDXBV-MELADBBJSA-N	367.450	2.296	10	10	FECE	
CCON(C(=O)COc1ccc(N)cc1)C1CN(C(=O)OC(C)(C)C)C1	2118327279	OCTDWNYAVQRSMA-UHFFFAOYSA-N	365.430	2.047	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(C(=O)N2CCC(N=[N+]=[N-])CC2)C1	2124508437	HHBANKXSBPPEJX-SJKOYZFVSA-N	365.434	2.314	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)C1=NO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1	2124506558	YVYCOWTWPCXAIZ-INIZCTEOSA-N	366.422	2.301	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CNC(=O)c3ccc(C)s3)C2)cc1	1331230847	XWROUNZDLUHGCU-CQSZACIVSA-N	373.478	2.190	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H]1COC[C@@H]1N(C)C(=O)OC(C)(C)C	2124377265	QCODCYZRURRFJQ-CABCVRRESA-N	364.442	2.233	10	10	FECE	
C[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)[C@@H](C)CN1C(=O)OC(C)(C)C	2132404366	RFDKXKZFWIODDF-QWRGUYRKSA-N	366.414	2.273	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CCS1	1341095095	URVMTIKDELUCPX-ZBFHGGJFSA-N	359.495	2.079	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)CS(=O)(=O)C(C)(C)C	1290375088	RHEOHZLWBMHJBI-UHFFFAOYSA-N	352.500	2.459	10	10	FECE	
COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@@H](C)C3(C)CC3)CC2)cc1	1602976100	XSEAQTZCVYRZGA-QWGSZXSUSA-N	371.481	2.205	10	10	FECE	
COC1CCN(c2ccc(CN3CCC(Cc4nn[nH]n4)CC3)cc2)CC1	1460718290	SGBNBHJMGDOODW-UHFFFAOYSA-N	370.501	2.270	10	10	FECE	
Cc1cc(CC(=O)NC[C@H](O)[C@@H](C)O)c(C)n1-c1ccc(Cl)cc1	1470645270	PZHDFASUGVLUJO-DYVFJYSZSA-N	350.846	2.148	10	10	FECE	
CNC(=O)[C@@H](C)CN(C)c1nnc(C)n1CCCSc1nccs1	1711295779	BCHKZAIFUBCTAZ-NSHDSACASA-N	368.532	2.044	10	10	FECE	
Cc1ccc(N(Cc2cnn(C)c2)C(=O)c2ccnc3c2CC(=O)N3)cc1	1637933375	CWGKZPSPQWCZJX-UHFFFAOYSA-N	361.405	2.465	10	10	FECE	
CC(C)OC(=O)C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)C(C)C	1646491262	DUXBWSAJJBIPSS-SFHVURJKSA-N	363.502	2.325	10	10	FECE	
COc1ccc(N2CCN(Cc3nsc(N(C)C)n3)CC2)cc1F	156750683	CUGCMCHBWNYBRH-UHFFFAOYSA-N	351.451	2.074	10	10	FECE	
C[C@@H](N)c1ccc(N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c(Br)c1	2145072517	KJXCNOGDGYVDJW-OLUVUFQESA-N	359.289	2.092	10	10	FECE	
CCOC(=O)[C@]1(NCCN=[N+]=[N-])CN(Cc2ccccc2)[C@@]2(CCOC2)C1	2156294978	DUUBRWPDALPARH-RBUKOAKNSA-N	373.457	2.253	10	10	FECE	
N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@@H](COCc2ccccc2)C1	384062000	DXOUVDZUWHRWHA-MSOLQXFVSA-N	370.449	2.033	10	10	FECE	
O=C1NC[C@]2(CCN(Cc3cc(Cl)cc(Br)c3O)C2)N1	2177680374	LXCGZCLZFCBETI-ZDUSSCGKSA-N	360.639	2.065	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NCc1ccc(F)cc1O	2084176511	RBZKRGPXANERTA-XZDPQHSOSA-N	352.406	2.302	10	10	FECE	
C[C@H](NC(=O)COc1ccc(N)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	2106268637	OIELINKYRMIPMA-UONOGXRCSA-N	363.458	2.409	10	10	FECE	
COc1ccc(O)c(CNC[C@@H]2CN(C)CCN2C(=O)OC(C)(C)C)c1	2098262976	JHRHWWMNLQHAGD-OAHLLOKOSA-N	365.474	2.042	10	10	FECE	
CN[C@H](c1ccc(N(C)C)cc1)[C@@](O)(CF)CNC(=O)OC(C)(C)C	2254002636	JYKQERXHAMQVPR-CRAIPNDOSA-N	355.454	2.238	10	10	FECE	
CC(C)CN1C(=O)C(=CN[C@H](C)c2ccc(F)c(F)c2)C(=O)NC1=S	2295113189	HSTIHVDKEGNIQQ-SNVBAGLBSA-N	367.421	2.399	10	10	FECE	
CCN1C(=O)C(=C2SC(=S)N([C@@H](C)C(=O)O)C2=O)c2ccccc21	2293308691	YOUAUWODSIYXAY-QMMMGPOBSA-N	362.432	2.098	10	10	FECE	
Oc1c([C@@H]2CNCCN2)cc(Br)c(F)c1Br	309501168	NLQUTJSSYICSAV-ZETCQYMHSA-N	354.017	2.290	10	10	FECE	
CCn1nccc1N1CCC[C@@H](N[C@@H](C)c2cc(OC)ccc2O)C1=O	188578710	XTXIKZVGKLKZKK-XJKSGUPXSA-N	358.442	2.463	10	10	FECE	
COc1cc(O)c(CN(C)C2CCN(CCn3cccn3)CC2)cc1OC	180095555	KIIGPXMMHCHHDL-UHFFFAOYSA-N	374.485	2.202	10	10	FECE	
C[S@@](=O)CCNCc1cc(Br)cc(Br)c1O	133246015	HLZDCGXJDWJJBR-INIZCTEOSA-N	371.094	2.385	10	10	FECE	
CC(C)(C)OC(=O)N1CC(c2c[nH][nH]c2=NC(=O)Nc2ccc(N)cc2)C1	2380532099	YHYXATJBSCLRAT-UHFFFAOYSA-N	372.429	2.392	10	10	FECE	
CCOCc1cc(CN[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)ccc1OC	800310192	YAKWTDWCXJKKLU-NVXWUHKLSA-N	370.515	2.039	10	10	FECE	
CC(=O)C(=O)COC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1	808533432	MJZGRQCMZZJRON-UHFFFAOYSA-N	355.268	2.491	10	10	FECE	
C[C@H]1Oc2c(cccc2C(=O)Nc2cccc(N3CCOCC3)c2)NC1=O	729328546	RJJWAQPSVCUMOH-CYBMUJFWSA-N	367.405	2.495	10	10	FECE	
Cc1cccc(CNC[C@@]2(CO)COCCN2Cc2ccccc2)c1O	827533203	TUTQJRSCNFFCKA-OAQYLSRUSA-N	356.466	2.054	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CC(C2CCOCC2)C1	823531211	WFAVTSAZFPZCCY-UHFFFAOYSA-N	373.497	2.216	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@@H](C)[C@@H]3CCCO3)cc2F)CC1	906601822	KESFPMRCLRDJDZ-KXBFYZLASA-N	363.477	2.399	10	10	FECE	
C[C@H](N)[C@@H](C)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	841843400	HEGFBLULDJGBJV-YNEHKIRRSA-N	356.417	2.292	10	10	FECE	
CCN(CC)c1ccc(CNS(=O)(=O)CC2(OC)CCOCC2)cc1	845824379	YSEVCGJXOSCCJA-UHFFFAOYSA-N	370.515	2.148	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)CC1(OC)CCOCC1	845810897	UXVCDCUVMLQNLX-UHFFFAOYSA-N	370.515	2.100	10	10	FECE	
CCCCO[C@H](C)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	742916073	BIVZMEOXFPDJCM-QGZVFWFLSA-N	363.502	2.139	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)c3c[nH]c4ncccc34)C2)cc1	849415530	BMLNBOXOAUNNTQ-ZDUSSCGKSA-N	372.450	2.129	10	10	FECE	
C[C@@H](NC(=O)NCCC1(CO)CCC1)c1ccc(N2CCOCC2)cc1	844925609	DBANHQVBCCBASW-MRXNPFEDSA-N	361.486	2.436	10	10	FECE	
O=C(C[C@H]1CCCO1)NCc1cc(NC(=O)C[C@H]2CCCO2)ccc1O	923120326	ULJLNKHQRVXWQG-HZPDHXFCSA-N	362.426	2.085	10	10	FECE	
CC1(C)CC(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1	852699525	QIIZWBAQIGRIAF-HNNXBMFYSA-N	358.486	2.376	10	10	FECE	
CN(C)c1ccc(CNC(=O)NC[C@H]2CC3(CCOCC3)CO2)cc1F	869033484	VPHYGVOHNRTLTJ-OAHLLOKOSA-N	365.449	2.277	10	10	FECE	
COc1cc(N2C[C@@H](CO)[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC	866076958	IJXCEJUXBZGOJU-DTWKUNHWSA-N	350.293	2.219	10	10	FECE	
Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N1Cc2cccc(O)c2C1	871202902	ONLABVWVHRXIHY-UHFFFAOYSA-N	372.446	2.397	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC[C@@H]1CC(C)(C)CO1	898673639	SNPHKLOHMXSMFJ-QGZVFWFLSA-N	361.486	2.032	10	10	FECE	
COc1c(C(=O)NCc2ccc(N(C)C)cc2C)cnc2c1cnn2C	784006000	VLDBIAQYWDKNTA-UHFFFAOYSA-N	353.426	2.281	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC(C)C)nn1	793034873	CHEWCIKOUDXELI-UHFFFAOYSA-N	372.425	2.347	10	10	FECE	
Cc1cc(Br)cc(CN(C)C[C@H]2CCS(=O)(=O)C2)c1O	775712821	JLLOSHXINFJEAO-LLVKDONJSA-N	362.289	2.330	10	10	FECE	
CSc1cccc(N2C[C@@H](C(=O)NCc3cc(O)ccc3O)CC2=O)c1	1153879128	GKMIUHIREVVFLW-ZDUSSCGKSA-N	372.446	2.489	10	10	FECE	
C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1O	1302532926	VAGLNNZKUXYNNK-SECBINFHSA-N	354.815	2.184	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NCc2ccc(N3CCCC3)cc2)C1	2126240093	NHYHJZOPNVMZMG-MSOLQXFVSA-N	361.486	2.357	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCC[C@@H]3N(C)C)C2)cc1	1328413279	OSBYCPICADVHRI-SNRMKQJTSA-N	360.502	2.446	10	10	FECE	
CN(Cc1nc(=NCc2cc(F)cc(F)c2O)[nH][nH]1)C(=O)OC(C)(C)C	2128842704	PGMXOMBXVBSSHF-UHFFFAOYSA-N	369.372	2.189	10	10	FECE	
CN(CCc1nc(=NCc2cccc(F)c2O)[nH][nH]1)C(=O)OC(C)(C)C	2128841853	LUILMNSMVXEFSA-UHFFFAOYSA-N	365.409	2.093	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCCN(CC(=O)N2CCC(N=[N+]=[N-])CC2)C1	2124505938	QSTLBRDIFHWCMD-CQSZACIVSA-N	366.466	2.277	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(C(=O)NCC2(CN=[N+]=[N-])CC2)C1	2124509903	PWUZBQHCNHJVJM-SJKOYZFVSA-N	365.434	2.219	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@]2(C)CC2(F)F)cc1F	1330433963	DHVDYDDOJBOBTB-QGZVFWFLSA-N	371.403	2.450	10	10	FECE	
CN1CC2(CN(Cc3cc(Cl)cc(Br)c3O)C2)OC1=O	1331548629	MGJJZYIMKDNXFZ-UHFFFAOYSA-N	361.623	2.445	10	10	FECE	
O=C(NC1CC1)[C@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1	1332035671	HPWRPJJVDQLQAU-JTQLQIEISA-N	360.435	2.443	10	10	FECE	
CC[C@@]1(NC(=O)c2cc(O)c(O)c(O)c2)CCN(C(=O)OC(C)(C)C)C1	2132391781	BXJCOWDXYLLFQR-GOSISDBHSA-N	366.414	2.323	10	10	FECE	
Cc1ccc(CC2CN(C(=O)C(=O)N(C)Cc3ccccc3O)C2)cc1	1347017407	VNNDMXLINUSQHD-UHFFFAOYSA-N	352.434	2.360	10	10	FECE	
COc1cc(N2CCC[C@H]([C@]3(C)COC(=O)N3)C2)c([N+](=O)[O-])cc1OC	1458615957	FWWHKNSOKHDYOU-GTNSWQLSSA-N	365.386	2.327	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](CO)Cc1ccncc1Cl	1618611926	FZEIXHRVNYMSQL-OHVSUOQFSA-N	362.813	2.127	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N(C)Cc3nc(=O)o[nH]3)c2C)cc1	1557205245	ZKUDYYCTTSDHBY-UHFFFAOYSA-N	356.382	2.051	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCN(c2cnccn2)CC1	1624970377	UVRWEDIALWWTIZ-UHFFFAOYSA-N	356.407	2.065	10	10	FECE	
CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCc1cc(O)ccc1O	1558174822	VHBJLYSYDDMHJI-GOSISDBHSA-N	354.406	2.250	10	10	FECE	
CC[C@@H]1C[C@H]1C(=O)N(CC)CCNC(=O)c1ccc(N=NC(N)=O)cc1	1496802609	PKSZOAMEYATUQL-IUODEOHRSA-N	359.430	2.473	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)Cc1cc(F)ccc1O	1639588256	ZZECXNCJTGKAPK-UHFFFAOYSA-N	361.369	2.371	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C(=O)NCc3c(O)cccc3O)[C@@H]2C1	1635850858	SMQRFMDDFXSLSU-GHJWDPDVSA-N	362.426	2.217	10	10	FECE	
CCc1ccccc1N1C[C@@H](C(=O)NCc2c(O)cccc2O)CC1=O	1597569874	VOFOUAWYSBVJDT-AWEZNQCLSA-N	354.406	2.330	10	10	FECE	
Cc1cccc(CNC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1O	2139741355	KQRLZANYCKYFOR-OAHLLOKOSA-N	364.442	2.343	10	10	FECE	
COc1cc(O)c(CN2CCN(C[C@H]3CCCCN3C)CC2)cc1OC	160254892	MMXDPMAOSDAFGQ-QGZVFWFLSA-N	363.502	2.011	10	10	FECE	
C[C@H](NC(=O)[C@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1O	828539753	URORJMGCRJXPMR-MJBXVCDLSA-N	364.442	2.499	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1	1963695198	RNKLEMJTHXGMEL-SFHVURJKSA-N	350.415	2.034	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NCc1cc(F)cc(F)c1O	2031532226	JDPUBIZKPHAFIT-KBPBESRZSA-N	358.385	2.442	10	10	FECE	
C[C@H](NC[C@H]1COCCN1C(=O)OC(C)(C)C)c1c(O)cccc1O	310605623	ATMLSIZZVUFILV-STQMWFEESA-N	352.431	2.384	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NC(=O)c2cccc(O)c2O)C1	2054413992	MXKAOTFTUICJKD-UXMMLNGASA-N	370.427	2.003	10	10	FECE	
CC(C)(C)OC(=O)NC1CC(F)(CNC(=O)c2cccc(O)c2O)C1	2054423275	ZNIBQADFWHVPNI-UHFFFAOYSA-N	354.378	2.223	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)NCC1(CN=[N+]=[N-])CC1)[C@H]1CCCO1	2060637932	QABGJRKWFXSDFU-NEPJUHHUSA-N	353.423	2.265	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CCC[C@H](N=[N+]=[N-])C2)CO1	2060612934	LTHFEORCXYMMJD-AGIUHOORSA-N	353.423	2.312	10	10	FECE	
CN1CCc2cc([C@H](N)[C@@H](O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)ccc21	2106849345	UUANINMSQMWEPT-NJAFHUGGSA-N	361.486	2.297	10	10	FECE	
CS(=O)(=O)[C@H]1CCC[C@@H]1NCc1cc(Br)cc(F)c1O	2205994809	CNGXLUIYALJJSC-RYUDHWBXSA-N	366.252	2.349	10	10	FECE	
CC(C)[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(O)c(O)c2)SC1=S	2296318990	XPTBCUSOMKPWCT-GFCCVEGCSA-N	353.421	2.408	10	10	FECE	
O=C(O)CN(Cc1cc(Cl)cc(Br)c1O)[C@H]1CCOC1	2288224710	GINNFOVXJKHVIK-JTQLQIEISA-N	364.623	2.484	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@H]1C[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1	2312487346	JLBWSFNENMPOEF-UPJWGTAASA-N	353.423	2.170	10	10	FECE	
Nc1ncc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1Cl	171262055	XYPBYPJWKYLFPY-UHFFFAOYSA-N	364.808	2.223	10	10	FECE	
Cc1ccc(OCC(=O)N2CCN(c3ccc4c(c3)CC(=O)N4)CC2)cc1	62575946	BGZFNNJBUGTBQA-UHFFFAOYSA-N	365.433	2.217	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N[C@H]2CCC(=O)N(C)C2)cc1F	126207789	HDFQNBLWXPEONK-AWEZNQCLSA-N	350.438	2.092	10	10	FECE	
Nc1ccc(N(C(=S)N[C@H]2CCS(=O)(=O)C2)c2ccccc2)cc1	244169784	VCVPFISKQWUGDS-AWEZNQCLSA-N	361.492	2.469	10	10	FECE	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2CCCN(c3ncccn3)C2)c1	273407026	OQMSJTNUWFQPKX-HIFRSBDPSA-N	356.426	2.288	10	10	FECE	
C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2O)[C@@H](C(=O)O)CO1	2165791576	BHOTYZWJHVOYLF-RDDDGLTNSA-N	364.623	2.482	10	10	FECE	
CN1CCc2c(NC(=O)NCCc3ccc(O)c(O)c3)cccc2C1=O	825316565	WNIYMWGGXJSPCM-UHFFFAOYSA-N	355.394	2.090	10	10	FECE	
C[C@H](NS(=O)(=O)[C@@H]1CCO[C@H](C)C1)c1ccc(N2CCOCC2)cc1	830200549	NKJBUHGJOKRTQH-RVKKMQEKSA-N	368.499	2.071	10	10	FECE	
CCc1ncsc1C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	749907065	ICHVRWYWGYCXSD-UHFFFAOYSA-N	374.510	2.266	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cnn2c1C[C@H](C)CC2	843909004	SFRZYKIVMQYAHP-CQSZACIVSA-N	371.437	2.377	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3ccc(CN)cc3)C2)cc1	851669885	WHNKRPYXSMKOJD-QGZVFWFLSA-N	354.454	2.232	10	10	FECE	
CCO[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)CN(C)C	926842664	CGTMDQRWVFAOFV-LBPRGKRZSA-N	364.273	2.465	10	10	FECE	
CN1C(=O)N(Cc2ccc(N3CCOCC3)cc2)C(=O)[C@H]1c1cccnc1	924482891	LKWKRWWAZOEZMY-GOSISDBHSA-N	366.421	2.054	10	10	FECE	
C[C@]1(C(=O)NCc2cc(NC(=O)[C@@]3(C)CCCO3)ccc2O)CCCO1	923119562	LWOZILQUHRURKA-RTBURBONSA-N	362.426	2.085	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3cccc(Cl)n3)C2)cc1	850537605	SIBATGHEXUJSIM-GFCCVEGCSA-N	374.828	2.077	10	10	FECE	
CC[C@@H](N[C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(C)cc1O	858489618	IMYHFNLJWKQEPF-GOEBONIOSA-N	352.442	2.458	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CC(=O)N[C@H]4CCCC[C@@H]43)C2)cc1	855224868	HSLCFQMWOXKPMS-PIKADFDJSA-N	371.481	2.085	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@H]1C1CCOCC1	864931474	MNFIYGGZQKTNPJ-DLBZAZTESA-N	362.445	2.341	10	10	FECE	
O=S1(=O)CCC(CCNCc2cccc(Br)c2O)CC1	768653719	WCIKIEQONVKVPT-UHFFFAOYSA-N	362.289	2.459	10	10	FECE	
COc1ccc(CNC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)c(O)c1	794389742	CUHCFJSKXDWSLK-DLBZAZTESA-N	360.454	2.446	10	10	FECE	
CNC(=O)C[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)c1ccccc1	796036105	GXIBGOITUMEYRZ-CQSZACIVSA-N	359.382	2.276	10	10	FECE	
Cc1c(NC(=O)/C=C\c2ccc(O)c(O)c2)nnn1Cc1ccncc1	1159374348	MXSHDLLBJIFONE-HYXAFXHYSA-N	351.366	2.093	10	10	FECE	
COC(=O)c1cc(OCc2nnnn2-c2ccccc2)ccc1N(C)C	1307389583	SIQLBPONFSHXSH-UHFFFAOYSA-N	353.382	2.094	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)CC(C)(C)COC(C)=O	1469229805	COGKQAZFMNIXPQ-UHFFFAOYSA-N	365.426	2.263	10	10	FECE	
O=C(C[S@@](=O)c1cncc(Br)c1)c1ccc(O)c(O)c1	1921686981	IQGVBBXSMQPCAH-HXUWFJFHSA-N	356.197	2.246	10	10	FECE	
COC(=O)[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1	1612221349	QJHQCFOCFOGUQV-GOSISDBHSA-N	358.350	2.162	10	10	FECE	
O=C(CCN1C(=O)CCc2cc(F)ccc21)NCc1cc(O)ccc1O	1633595211	MLJAREMODYOLOA-UHFFFAOYSA-N	358.369	2.223	10	10	FECE	
Cc1cccc(CNC(=O)[C@H]2COCC[C@H]2NC(=O)OC(C)(C)C)c1O	2139757712	LDTGYQJWDBLOKH-LSDHHAIUSA-N	364.442	2.247	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3sc(N(C)C)nc3C)CC2)cc1	156778268	CMAAZWDDTMPGLA-UHFFFAOYSA-N	360.483	2.489	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C(=O)NCCc2ccc(O)c(O)c2)C1	1902450326	LJPQYIXAICWIAR-DJJJIMSYSA-N	362.426	2.014	10	10	FECE	
C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1cccc(O)c1O	1965172294	KZAMWSLGYSIPKH-AAEUAGOBSA-N	350.415	2.473	10	10	FECE	
Nc1ccc(O)c(CN2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)c1	1977894710	STNQESNYMDIFHT-AYBZRNKSSA-N	353.422	2.474	10	10	FECE	
CC[C@@](NC(=O)OC(C)(C)C)(C(=O)C(=O)C[C@H]1C[C@H](N)C1)C(F)(F)F	2049781096	QJXGHVWPBDHKSL-IQMDTDKHSA-N	366.380	2.488	10	10	FECE	
CN1C(=O)C(=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21	2053510566	JEAVWYPQIONRJP-UHFFFAOYSA-N	362.432	2.099	10	10	FECE	
CS(=O)(=O)CC1(CCNCc2cccc(Br)c2O)CC1	692842475	NUVXPASFIQRUHP-UHFFFAOYSA-N	362.289	2.459	10	10	FECE	
CN(C[C@@H]1CN(Cc2cc(N)ccc2O)CCO1)C(=O)OC(C)(C)C	2044603911	ATKWACPITOEYJR-OAHLLOKOSA-N	351.447	2.042	10	10	FECE	
C[C@@H]1CC[C@H]([C@H](NC(=O)OC(C)(C)C)C(=O)N2CC[C@H](N=[N+]=[N-])C2)O1	2060635528	MSGBMBTWNFTGBO-XQHKEYJVSA-N	353.423	2.358	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(CC(=O)C(=O)C[C@H]2C[C@H](N)C2)C1	2086349841	HCPQFBXEEJAIJL-WFTHSTBKSA-N	350.459	2.289	10	10	FECE	
CC(C)N(CCNC(=O)OC(C)(C)C)CC(=O)N(C)c1ccc(N)cc1	2106749536	CRJBAGUROOHEMB-UHFFFAOYSA-N	364.490	2.467	10	10	FECE	
COc1cc(N)c(N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C)cc1OC	2106844296	QXAKIBMGQOXJJA-GXSJLCMTSA-N	361.364	2.322	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N[C@@H]3CCC[C@H]3N=[N+]=[N-])CO[C@H]1C2	2266161710	UPPSFSUWGGUPDF-QVDOCOBGSA-N	365.434	2.406	10	10	FECE	
CCC(CC)S(=O)(=O)NC(=O)C=Cc1ccc(N2CCOCC2)cc1	2297567083	NSDRTQRCQVCQPH-UHFFFAOYSA-N	366.483	2.171	10	10	FECE	
COC(=O)[C@H](O)CNC(=O)C=Cc1cc(C)n(-c2ccc(C)cc2)c1C	2305556620	XGDHJJLSTQZCHN-GOSISDBHSA-N	356.422	2.066	10	10	FECE	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc2c(c1)OCCO2	59336653	IECQAZPIEUAFBD-ZROIWOOFSA-N	368.320	2.263	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)NC[C@@H]3CN(C)CCO3)cc2)CC1	108443763	QTKFSOKDDKMRHA-LJQANCHMSA-N	360.502	2.053	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCN1CCCCC1	78989211	OYOVYBYWICFLDT-UHFFFAOYSA-N	360.502	2.151	10	10	FECE	
CN1CCCc2cc(CNC(=O)c3cnoc3-c3cnn(C)c3)ccc21	189285415	BGWOMLWNXXEREO-UHFFFAOYSA-N	351.410	2.388	10	10	FECE	
CCOCCO[C@H]1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1	269749550	SVTGZFZEOMMMMO-ZKKXHLJNSA-N	364.398	2.413	10	10	FECE	
CN1CCC([C@H]2CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C2)CC1	361191455	ODOFFBPNYOCOHM-ZDUSSCGKSA-N	360.414	2.094	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3cnn4c3CCCC4)C2)cc1	819585893	JJKFZOJIUUGSOE-OAHLLOKOSA-N	354.454	2.484	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCn2cccn2)C1	577139691	BUBJYRSWORCDMJ-UHFFFAOYSA-N	365.481	2.421	10	10	FECE	
CCOC(=O)[C@H]1CN(Cc2ccc(N3CCC(OC)CC3)cc2)CCO1	827877341	FYMADFZSMPRCMA-LJQANCHMSA-N	362.470	2.066	10	10	FECE	
C[C@@H](NC(=O)[C@@H]1CCc2nc[nH]c2C1)c1ccc(N2CCOCC2)cc1	823834664	LXZYWJRKCQHBRO-GDBMZVCRSA-N	354.454	2.229	10	10	FECE	
C[C@@H](c1cccnc1)N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	588404527	HVYXGIPZTIUULT-PKYBCLHXSA-N	353.422	2.411	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccnnc2C)cc1	839462266	KXWXLYPDLGYXFC-UHFFFAOYSA-N	355.442	2.228	10	10	FECE	
CCO[C@@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)cc2)[C@H]1n1cccn1	836220213	VDKLRGBFURODLT-RCCFBDPRSA-N	357.458	2.167	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)c3nnc(O)n3C)c2C)cc1	912010069	NROYPNOTYKNGGK-LBPRGKRZSA-N	369.425	2.428	10	10	FECE	
O=C(NCc1ccc(CN2CCNC2=O)cc1)NCc1c(O)cccc1F	923926712	LCAFATOPGPKDSZ-UHFFFAOYSA-N	372.400	2.056	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@H](C)c3nc(C)no3)C2)cc1	852449674	VTOPTWXSTUPSJP-OCCSQVGLSA-N	359.430	2.368	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCCc3cncc(C)n3)CC2)cc1F	852606689	JPXNEWYSAXJGID-UHFFFAOYSA-N	373.432	2.007	10	10	FECE	
COc1ccc(N(CC(=O)O)CC(=O)N[C@H]2C[C@H]2c2cccc(F)c2)cc1	853003622	AZYHQLJSMPQKGZ-ROUUACIJSA-N	372.396	2.398	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)NC[C@H]3COCCN3C)cc2)CC1	858204259	APOXDTQCHZWQMZ-IBGZPJMESA-N	360.502	2.053	10	10	FECE	
C[C@]12COC[C@H]1CN(C(=O)NCc1ccc(N3CCSCC3)cc1)C2	851992076	YNJVYQYHSLFJRY-APWZRJJASA-N	361.511	2.418	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](O)c3ccc(F)cc3)C2)cc1	852451192	FURJEPMKWRKOBE-APWZRJJASA-N	373.428	2.446	10	10	FECE	
CCCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	855231928	YWXPBYGQISQDFJ-CRAIPNDOSA-N	359.470	2.181	10	10	FECE	
O=C(NCCCSc1nccs1)NCC1(C2(O)CCOCC2)CC1	921446829	QYEQFOZSBSDSPO-UHFFFAOYSA-N	371.528	2.246	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3nnc(O)c4ccccc34)C2)cc1	855234715	KQZMRCXUZIQUJE-CYBMUJFWSA-N	364.405	2.353	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2Cc3ccccc3N(C)C2=O)c1	850500793	KDUVHOSFSDWXQP-BLLLJJGKSA-N	354.406	2.417	10	10	FECE	
O=C(CNC(=O)NC1CCCCC1)NCc1ccc2cccnc2c1O	862027953	KVGPDHIFNPVVNH-UHFFFAOYSA-N	356.426	2.189	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1cn(C[C@H]2CCOC2)nn1	865604467	WRPKVZABOJVBTB-IAGOWNOFSA-N	357.502	2.410	10	10	FECE	
CC(=O)N1c2ccc(S(=O)(=O)N3Cc4cccc(O)c4C3)cc2C[C@@H]1C	867690000	QGEKDEYHXHKRDJ-LBPRGKRZSA-N	372.446	2.394	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCO[C@@H]([C@@H](C)O)C1	862004566	ONEVCMHSWPJQSJ-DNVCBOLYSA-N	356.422	2.128	10	10	FECE	
CO[C@@H]1COCC[C@@H]1N(C)c1nnc(-c2sccc2O)n1CC1CC1	1123422412	AAVVXCVHNLQXAH-GXTWGEPZSA-N	364.471	2.362	10	10	FECE	
COc1cc(O)c(CNC[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)cc1OC	895819552	ASWACQNOHBQCSR-PITQQHRWSA-N	351.443	2.472	10	10	FECE	
CCOC(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	1149326316	OQYJOWWROOVFGD-DIECRNLCSA-N	371.393	2.027	10	10	FECE	
CN(C)CCN(C(=O)OC(C)(C)C)[C@H](C(N)=O)c1ccc(N(C)C)cc1	698970447	UAIWKUDVACFCNU-INIZCTEOSA-N	364.490	2.078	10	10	FECE	
CON(C)c1nnc(CC(C)C)n1Cc1ccc(N2CCOCC2)cc1	1302352592	OCTXCUHFKHMLJP-UHFFFAOYSA-N	359.474	2.359	10	10	FECE	
CC[C@H](CN(C)c1cc2c(cc1N)OCC(=O)N2)NC(=O)OC(C)(C)C	2116680323	APFKXYNZEXALIK-LLVKDONJSA-N	364.446	2.339	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	2124348659	LNKAZARSGPQXBC-JSGCOSHPSA-N	364.442	2.260	10	10	FECE	
Cn1nccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2124516930	WZTGLDNKYZUYSX-AAEUAGOBSA-N	363.422	2.145	10	10	FECE	
C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cc(O)c(O)c(O)c1	2132402040	WXEXOMBYTSHGOY-CMPLNLGQSA-N	366.414	2.321	10	10	FECE	
CO[C@]1(CNCc2ccc(N3CCN(C)CC3)c(F)c2)CCSC1	1262193925	ATQFCVAMWNATIZ-SFHVURJKSA-N	353.507	2.189	10	10	FECE	
O=C(CN1CCCC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	1294860187	RVEOBAYOZSTVNU-INIZCTEOSA-N	351.878	2.222	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)[C@H]2Cc3cccnc3C2)N(C)C)cc1	1520647809	WZYNZEHRHUIQOK-FXAWDEMLSA-N	352.482	2.282	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)c2ccnc(N(C)C)c2)N(C)C)cc1	1539236823	YXXJPBKLCWMLKV-GOSISDBHSA-N	355.486	2.246	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CCCC[C@@H]3[C@@H]3CCCO3)nc12	1473885831	XQBFPJIMGWKYOU-CVEARBPZSA-N	374.441	2.145	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(Cc2ccccn2)n1CC(C)(C)O	1617939460	CNSUIYZVDNFNHM-UHFFFAOYSA-N	367.453	2.377	10	10	FECE	
COC(=O)Cc1c(C(=O)NCc2cccc(O)c2O)[nH]c2ccccc12	1637046638	WFWDPXUUXUQARY-UHFFFAOYSA-N	354.362	2.225	10	10	FECE	
C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1(O)CCC1)c1ccccc1O	1877573203	IGKACXFIQJPJDL-IUODEOHRSA-N	364.442	2.378	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@](C)(CNCc2ccc(O)cc2O)C1	2026839822	XTTWLVWQTIGCMP-GOSISDBHSA-N	352.431	2.213	10	10	FECE	
Nc1ccc(OCC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1	390539500	GUXDSGKDMVPRAT-FQEVSTJZSA-N	369.465	2.055	10	10	FECE	
CS(=O)(=O)c1cnn(Cc2c(O)cccc2Cl)c1Br	2070222809	AIRSIUCGQZOGOO-UHFFFAOYSA-N	365.636	2.456	10	10	FECE	
COc1ccc(Cn2ncc(OC)c2I)c(O)c1	2070313477	VCZUZSXFICZXKZ-UHFFFAOYSA-N	360.151	2.259	10	10	FECE	
CCOC(=O)c1c(C2CCCCC2)nn2c(O)cc(CC(=O)OC)nc12	2080935352	MMTYYEQFYQAIBG-UHFFFAOYSA-N	361.398	2.375	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NC(=O)c2cccc(O)c2O)C1	2054413990	MXKAOTFTUICJKD-JUTIIYIPSA-N	370.427	2.003	10	10	FECE	
CN1CCc2cc([C@@H](CN)N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)ccc21	2194858692	DKRRKRLJWUGMRL-GOSISDBHSA-N	372.513	2.231	10	10	FECE	
CN1CCCc2cc([C@H](N)[C@@H](O)[C@H]3CCN3C(=O)OC(C)(C)C)ccc21	2106944182	LDHLEMMOINBCEY-SQNIBIBYSA-N	361.486	2.439	10	10	FECE	
Cn1ncc(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])c1CNC(=O)OC(C)(C)C	2225795571	OWFQGEKXCNIEGE-NWDGAFQWSA-N	363.422	2.406	10	10	FECE	
COc1ccc(N2CCN(C(=O)C=Cc3ccc(O)c(O)c3)CC2)cc1	2307987442	DUXGMVIRWLIQCU-UHFFFAOYSA-N	354.406	2.468	10	10	FECE	
[N-]=[N+]=NCCCCCNc1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O	2325739761	SDPGTOOVIBSDST-HNNXBMFYSA-N	370.413	2.340	10	10	FECE	
CN(C)c1ccc([C@@H](NC(=O)C=Cc2cncnc2)c2nccn2C)cc1	2330002297	LIZLATPOPZMOIU-LJQANCHMSA-N	362.437	2.195	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C[C@@H](O)C1(C)C	2333612915	FGKJTQKYPBJQLT-UZTWBRENSA-N	367.450	2.388	10	10	FECE	
NC(=O)Cc1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1	172592187	OGGGRSQPOUAVLW-UHFFFAOYSA-N	350.422	2.412	10	10	FECE	
CNC(=O)CC(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1	185818357	SJMULZWTIQULOC-UHFFFAOYSA-N	355.438	2.431	10	10	FECE	
CCc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(N3CCOCC3)c(F)c1)CC2	180631895	IUMPWDFSBVCSSA-GDBMZVCRSA-N	373.476	2.482	10	10	FECE	
O=C(c1ccc2c(c1)OCO2)N1CCc2cc(N3CCOCC3)ccc21	41122046	IPKMUZODKSRCDR-UHFFFAOYSA-N	352.390	2.455	10	10	FECE	
CC(C)(C)OC(=O)N1CC(n2cnc(C(=O)N3CC[C@@H](N=[N+]=[N-])C3)c2)C1	2225239517	JAOITEDJLGGEHR-LLVKDONJSA-N	361.406	2.200	10	10	FECE	
Cc1cc(/C=C\C(=O)N[C@H]2CCN(C(N)=O)C2)c(C)n1-c1ccccc1	255078124	GGLUPTGHQPXERK-JJEJIETFSA-N	352.438	2.377	10	10	FECE	
Cc1nn(C)c(Cl)c1/C=C\C(=O)N1CCCc2c(C(N)=O)cccc21	255167691	ITQQUHPBQBMDCP-HJWRWDBZSA-N	358.829	2.473	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N2C[C@@H](C)Oc3cc(F)ccc32)c1	255581638	KWOLNRXVSKSOLV-GCLPIYDQSA-N	355.369	2.408	10	10	FECE	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2ccnn2C)cc1	278095777	YKEXXAIEUCKOKX-IBGZPJMESA-N	356.470	2.236	10	10	FECE	
COc1ccc(O)c(CNC(=O)N[C@H](C)c2nnc3n2CCCCC3)c1	363540245	UGHJGHSUCQZKOS-GFCCVEGCSA-N	359.430	2.279	10	10	FECE	
COC(=O)c1cnc(SCC(=O)N2CCO[C@H]3CCCC[C@@H]32)s1	295303223	MNGIJBDIVWPUTF-QWRGUYRKSA-N	356.469	2.192	10	10	FECE	
CCN(CCNC(=O)c1ccn(-c2ccc(N)cc2)n1)C(=O)OC(C)(C)C	2162514796	COLLOORFZIWJTI-UHFFFAOYSA-N	373.457	2.441	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CNC[C@@H]1Cc2nncn2C1	2167752495	YIXJHWKNTKQUIF-QMMMGPOBSA-N	357.639	2.362	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)C3(C)C[C@@H]4C[C@H]4C3)nc12	815362100	ZBKHTASQWKJAMJ-QWRGUYRKSA-N	359.382	2.091	10	10	FECE	
Cc1cc(CC(=O)NCC2(O)CCN(C)CC2)c(C)n1-c1ccccc1	829298334	BPJNQBLRAXEIFG-UHFFFAOYSA-N	355.482	2.210	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc2c([nH]1)CCOC2	837446290	MFVRPRQMIZVUPH-UHFFFAOYSA-N	373.428	2.118	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N(C)c2ccc(OC)c(OC)c2)c1	731980400	YYPZITQGPHYBMK-YVMONPNESA-N	355.394	2.135	10	10	FECE	
Cc1ccc(N(CC(C)C)C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1	837072311	UYXRZVSBTIGZOX-DHZHZOJOSA-N	355.438	2.095	10	10	FECE	
CCOCn1nc(C)c(C[C@@H](C)C(=O)NCc2ccc(O)cc2O)c1C	910944042	JUOFYYSFWZHSFZ-GFCCVEGCSA-N	361.442	2.400	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CC[C@@H]2CCCCN21	912709907	YIEFEGPHVIQBEJ-AZUAARDMSA-N	357.498	2.281	10	10	FECE	
COc1ccc(N(C)CCN(C)c2cc(N)c([N+](=O)[O-])c(CO)c2)cc1	845671520	CAXNLHBMOBWMGO-UHFFFAOYSA-N	360.414	2.251	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCCN(C)CC(F)(F)F)C2)cc1	852094763	OPIIQSUVVSSEOO-ZDUSSCGKSA-N	374.407	2.067	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)c3cc(N)ccc3C)C2)cc1	851801107	ASMGCAIZANTRCU-HNNXBMFYSA-N	361.467	2.143	10	10	FECE	
CC[C@H](NC[C@@]1(OCCO)CCOC1)c1cc(Br)ccc1O	850507420	JJFMNQLFWIOGHA-HOCLYGCPSA-N	374.275	2.363	10	10	FECE	
OC[C@]1(CN[C@@H]2CCc3cccc(O)c32)COCCN1Cc1ccccc1	850556022	QIVBDEZWRTWIQN-DENIHFKCSA-N	368.477	2.233	10	10	FECE	
CNS(=O)(=O)C[C@@H]1CCCN(C/C=C\c2ccc(N(C)C)cc2)C1	862552309	VVBALRLWGUWDRP-XQDHMALISA-N	351.516	2.027	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCO[C@@H](CC(N)=O)C2)c1	863487450	UTZNUPIEGAHOTE-INIZCTEOSA-N	355.438	2.119	10	10	FECE	
COC(=O)[C@@H]1[C@@H](CN(Cc2ccccc2O)C[C@H]2CCCO2)C1(F)F	893879794	JKGFMNOHPDZXPP-FMKPAKJESA-N	355.381	2.428	10	10	FECE	
Oc1c(Br)cc(Br)cc1CN1C[C@H]2C[C@@]2(O)C1	895651938	DSWLAINMHGPUDK-PRHODGIISA-N	363.049	2.484	10	10	FECE	
CCN(Cc1cc(C)cc(Br)c1O)[C@H]1CCS(=O)(=O)C1	781895478	TXSUSJHJYLZCDN-LBPRGKRZSA-N	362.289	2.472	10	10	FECE	
CCOC(=O)c1cccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)c1	797819934	XKIKEQXRVVQIGD-UHFFFAOYSA-N	351.380	2.378	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)N(C)C)cc1	1158717054	LCDPOQBTBQNYAC-KRWDZBQOSA-N	372.425	2.399	10	10	FECE	
COC(=O)[C@@H]1CN(Cc2ccc(N3CCC(OC)CC3)cc2)C[C@H](C)O1	1307895307	SFOBNCRKHPDAEF-KXBFYZLASA-N	362.470	2.064	10	10	FECE	
CC(C)(C)OC(=O)N1[C@@H](CNC(=O)c2ccc(O)c(O)c2)COC1(C)C	2118182362	WOCRBLQNOLCVCG-LBPRGKRZSA-N	366.414	2.200	10	10	FECE	
Oc1cccc(CNC[C@@]23CN(Cc4ccccc4)C[C@H]2CCO3)c1O	2118580889	GXEOREXUPJEPJY-WIYYLYMNSA-N	354.450	2.479	10	10	FECE	
CN1CCN(c2ccc(CNC3(CO)Cc4ccccc4C3)cc2F)CC1	1339752713	CMGNWOIAWKULLY-UHFFFAOYSA-N	369.484	2.197	10	10	FECE	
C[C@H](NC(=O)C(=O)NC[C@@]12CCC[C@@H]1C2)c1ccc(N2CCOCC2)cc1	1340603156	MLKYRSIDBBLZAI-XPIZARPCSA-N	371.481	2.007	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1n[nH]c2ccccc12	1451905810	RQXZUWGTSREWOB-UHFFFAOYSA-N	353.378	2.474	10	10	FECE	
CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CCN(c2ccccc2F)C1=O	1627690484	ZMMSFFLTEXWNOT-HNNXBMFYSA-N	358.369	2.043	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N=c1ccn(C)c(O)n1	1628176755	PXZOBTVYJGLDBO-UHFFFAOYSA-N	350.378	2.087	10	10	FECE	
COC(=O)Cc1occ(C)c1C(=O)NCc1ccc2cccnc2c1O	1627073780	UGGBLKKGQCIQAU-UHFFFAOYSA-N	354.362	2.487	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCCNC(=O)c2ccc(F)cc2)cc1	1565615175	PQWZHJLUKCFCLB-UHFFFAOYSA-N	357.345	2.148	10	10	FECE	
Cc1cc(O)cc(=O)n1CCC(=O)NCc1c(O)ccc2ccccc12	1597736765	LRQKYHHITGREKT-UHFFFAOYSA-N	352.390	2.428	10	10	FECE	
CC[C@@](C)(O)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1O	1763375334	VBQJNXKIAFACOQ-HNAYVOBHSA-N	360.458	2.285	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCN(C)C(C)(C)CC3)C2)cc1	1687022451	BBEPLDMHCSQFHI-MRXNPFEDSA-N	360.502	2.400	10	10	FECE	
CCN(CCO)C(=O)CN1C(=O)/C(=C/c2cccc(C)c2)SC1=S	16921687	IELMAJXKZDIYDI-UVTDQMKNSA-N	364.492	2.037	10	10	FECE	
CN(C)CCN1C(=O)/C(=C\c2ccc3c(c2)OCCO3)SC1=S	1858595336	AHJIJQMTTKEDKJ-GXDHUFHOSA-N	350.465	2.221	10	10	FECE	
CC(C)(C)OC(=O)N1CC(OCCCc2ccc(N)cc2)(C(=O)O)C1	2059025393	FZAPNQXVFHRQSM-UHFFFAOYSA-N	350.415	2.292	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2060633070	JPNXYNFRFRADCK-RWMBFGLXSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1	2060633838	RXARDOGNZKSPSA-CHWSQXEVSA-N	353.423	2.171	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2060634313	YBEVJFNYQXIKMQ-JHJVBQTASA-N	353.423	2.027	10	10	FECE	
CN(C)c1ccc(CNC2(CC(=O)O)CN(C(=O)OC(C)(C)C)C2)cc1	2104183679	AMUVEFCHUPEHEX-UHFFFAOYSA-N	363.458	2.306	10	10	FECE	
CC(C)S(=O)(=O)C[C@H](C)NCc1c(O)cccc1Br	2114187836	AUXWLMXXJMPYST-JTQLQIEISA-N	350.278	2.456	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCCc3ccc(N)cc32)=C[C@@H]1O	2201006119	NXTQDAKGGDTMGU-WBVHZDCISA-N	373.453	2.132	10	10	FECE	
CN(C)CCN(CC(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-])C(=O)OC(C)(C)C	2218737480	HYRAFDWNGMMABP-CHWSQXEVSA-N	354.455	2.133	10	10	FECE	
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-]	2218745169	LJSULGGJPISWFT-LOWDOPEQSA-N	353.423	2.358	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)N2CC[C@H](N=[N+]=[N-])C2)CO1	2253765373	HBIFQTFMSNDFHW-AGIUHOORSA-N	353.423	2.218	10	10	FECE	
CNC(=O)CN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S	2296806959	IXOUHGXXOIRFLX-UHFFFAOYSA-N	371.281	2.396	10	10	FECE	
CCOc1ccc(C=C2SC(N3CCOCC3)=NC2=O)cc1[N+](=O)[O-]	2297468924	URHSLIDMVYVBDJ-UHFFFAOYSA-N	363.395	2.296	10	10	FECE	
CN1CCc2cc([C@@H](O)CNS(=O)(=O)C=Cc3ccccc3)ccc21	2297572270	MSXWTAXAUKQDLA-IBGZPJMESA-N	358.463	2.303	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)NCCCOC[C@H]1CCOC1	2297626281	UCRVXTCTEQJTKO-LJQANCHMSA-N	374.481	2.096	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CP(C)(C)=O)C(=O)N1CC[C@H](N=[N+]=[N-])C1	2299097999	AIZAWOPRKLLRAJ-QWRGUYRKSA-N	359.367	2.414	10	10	FECE	
Cc1nccn1-c1ccc(CNC(=O)C=Cc2ccc(O)c(O)c2)cn1	2307986567	IURHQKUIIRXTDV-UHFFFAOYSA-N	350.378	2.317	10	10	FECE	
COC(=O)CCN1C(=O)C(=Cc2ccc(C(=O)O)cc2)SC1=S	2314767022	CQFAIGDORPVEDT-UHFFFAOYSA-N	351.405	2.149	10	10	FECE	
CN1C(=O)Cc2cc(N3CCN(C(=O)Cc4cccs4)CC3)ccc21	62576016	LWGBQUVUUIXNKQ-UHFFFAOYSA-N	355.463	2.158	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCNC(=O)c1cccs1	186384592	KELFEJDDBHLBRI-LBPRGKRZSA-N	362.451	2.417	10	10	FECE	
COc1ccc(N2CCCN(S(=O)(=O)[C@@H](C)C(F)(F)F)CC2)cc1	184241883	ZWGBKDQNVKTOOD-LBPRGKRZSA-N	366.405	2.488	10	10	FECE	
CCN(CC)c1ccc(CNCC2CN(S(=O)(=O)CC)C2)cc1F	190292155	IPQDDXUOYYJQLC-UHFFFAOYSA-N	357.495	2.043	10	10	FECE	
Cc1cc(C(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)c(C)n1-c1ccccn1	251859087	RSBIXXYQVDLDSG-HOTGVXAUSA-N	356.470	2.016	10	10	FECE	
Cc1ccc(CN(C)C(=O)C(N)(CF)CF)c(O)c1Br	2381139649	ZMUOWMUNOVAYES-UHFFFAOYSA-N	351.191	2.058	10	10	FECE	
O[C@H](CNCc1ccc(N2CCOCC2)c(F)c1)Cc1ccc(F)cc1	818967059	RBVFWZBMWFAYSB-SFHVURJKSA-N	362.420	2.495	10	10	FECE	
C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CCN1S(C)(=O)=O	827271364	NNSLNXLNPCMYHN-SECBINFHSA-N	353.271	2.165	10	10	FECE	
COC(=O)[C@@H]1OCC[C@@H]1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	826967392	QFJDBHUZBCTCIG-WMLDXEAASA-N	363.414	2.005	10	10	FECE	
COC1CCN(c2ccc(CN3CCN4C(=O)OCC[C@H]4C3)cc2)CC1	828563705	HLNDZWFEUJURMN-SFHVURJKSA-N	359.470	2.328	10	10	FECE	
CNCc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	841005918	FRMBPDIETWLTKV-UHFFFAOYSA-N	366.465	2.261	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCOC[C@@H]1CC1CC1	923336352	JHPYEAZLQRKQAF-IBGZPJMESA-N	373.497	2.358	10	10	FECE	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1	751319022	QXWXKDDWHZIBKE-QMMMGPOBSA-N	358.397	2.410	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@]12CCC[C@H]1OCC2	869717505	WSEJVSRUGQZAAQ-XLIONFOSSA-N	360.454	2.213	10	10	FECE	
COc1nc(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)co1	860534513	GCAQIJYLHWIYED-UHFFFAOYSA-N	370.453	2.145	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)N[C@@H]1[C@H]2C[C@@H]3CO[C@@H]1[C@H]3C2	868909183	FPYCUVJSZYABSH-OADFYJJDSA-N	367.243	2.377	10	10	FECE	
O=C([C@@H]1CCCN1C(=O)OCC(F)(F)F)N1Cc2cccc(O)c2C1	871202697	LLYDZHASYRBCJZ-LBPRGKRZSA-N	358.316	2.398	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2C[C@H]2C2CCOCC2)N(C)C)cc1	896263879	AWQDQQAMOJJEJS-XUVXKRRUSA-N	374.529	2.470	10	10	FECE	
CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)NCc3cccc(Cl)c3O)[C@H]2C1	894893202	FLWGTXAZKIFGKI-OFQRWUPVSA-N	365.861	2.492	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCC[C@]12CCCO2	898466842	CYULAZQDXQJQOS-XLIONFOSSA-N	360.454	2.349	10	10	FECE	
CN(C)C(=O)COc1ccccc1C(=O)NCc1cccc(Cl)c1O	1305070134	ZDPGFBBXYDVTHW-UHFFFAOYSA-N	362.813	2.443	10	10	FECE	
COCc1nnc(-c2cccc(C(=O)NCc3c(O)cccc3O)c2)o1	1304053215	DUDREJCNNZVIBG-UHFFFAOYSA-N	355.350	2.224	10	10	FECE	
CC(C)(C)OC(=O)NC1CCN(CC(=O)NCC2(CN=[N+]=[N-])CC2)CC1	2124536765	SUVWEGJVSGBITM-UHFFFAOYSA-N	366.466	2.182	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccc(C)s1	1320397100	FEIQYBQKDYRNHR-AWEZNQCLSA-N	363.435	2.301	10	10	FECE	
O=C(NCc1cccc(O)c1O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1	1352657348	DJYQLWPXYMMRMX-OAHLLOKOSA-N	372.396	2.406	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)c(OC)c1	1454471082	RFLUSHWPMPIJLG-UHFFFAOYSA-N	372.421	2.006	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)c3nccn3C(C)C)cc2)CC1	1616251187	BFVNPBJANIRTIX-UHFFFAOYSA-N	369.469	2.063	10	10	FECE	
C[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC(=O)N1C	1925956917	RLNPOKORNHPWHD-ZDUSSCGKSA-N	374.485	2.229	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](OCC)C(C)C	1632356633	SJTVYEMDPLDAJH-WMLDXEAASA-N	367.442	2.139	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N=c2ccn(C)c(O)n2)cc1	1631755598	CQZUSKBKYLMFOB-UHFFFAOYSA-N	364.405	2.016	10	10	FECE	
COC(=O)c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)c(O)c(OC)c1	1646270576	OTUQQBCEGMTWMQ-GQCTYLIASA-N	359.334	2.251	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1CCCN1CCOC1=O	1744549158	PHOCEOBNXZFNDK-UHFFFAOYSA-N	359.430	2.025	10	10	FECE	
COc1ccc(N(C)Cc2nnc3n(C)c(=O)c4sccc4n23)cc1	1654958074	XDNVSINGJBVYHT-UHFFFAOYSA-N	355.423	2.288	10	10	FECE	
COC(=O)[C@H](C)N1C(=O)/C(=C\c2ccc(O)c(OC)c2)SC1=S	6097194	AOJUWBUNWWSWIV-OTIXFSKASA-N	353.421	2.164	10	10	FECE	
CCC(O)(CC)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1676653619	SPPFKJDURMSXBI-KRWDZBQOSA-N	350.507	2.206	10	10	FECE	
C[C@H](Nc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(=O)NCC(=O)O	207692422	OIJQFDXBEALSAT-JTQLQIEISA-N	368.349	2.297	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnc4ccnn4c3C)CC2)cc1	1873831651	ZPKPJALVFOOXQA-UHFFFAOYSA-N	351.410	2.009	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)NCCCCN=[N+]=[N-])CN(C(=O)OC(C)(C)C)C1	1964945369	WQLPIUXRVLTBLF-CHWSQXEVSA-N	355.439	2.465	10	10	FECE	
O=C1COC[C@@H](c2cc(Br)cc(Br)c2O)N1	1951871610	JMGATFUNOIRAFC-QMMMGPOBSA-N	350.994	2.105	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(c2cc3c(cc2N)OCC(=O)N3)[C@H]2CC[C@H]21	2168382815	DPCFRSIRZHOGJH-UONOGXRCSA-N	374.441	2.188	10	10	FECE	
Nc1ccc(CN2C[C@@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(C(=O)C(F)(F)F)C2)cc1	1345159841	OEYULFANUVLZGR-HNKHHVNMSA-N	353.388	2.500	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](F)CN1C(=O)Cc1ccc(N)cc1	2044640499	FDUMNOQSBRBIRL-HIFRSBDPSA-N	351.422	2.275	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CCC[C@@H]2C[C@@H]21	2049782826	NLYKZBVUHTVMEA-ZJEYORIJSA-N	350.459	2.336	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CCC(N=[N+]=[N-])CC2)CO1	2060609251	SXFPRRHEEMXXQL-YPMHNXCESA-N	353.423	2.312	10	10	FECE	
CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Nc1c(N)cccc1C(N)=O	2084783600	NTABTYXHYJYNFF-QWHCGFSZSA-N	366.487	2.131	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CNC(=O)CCOc1ccc(N)cc1)C1CC1	2106231212	PFSSLCNBGUMCMC-INIZCTEOSA-N	363.458	2.457	10	10	FECE	
CN(c1cc2c(cc1N)OCCO2)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21	2106840316	ANIZGYPKLYEQEU-DPIQGUFMSA-N	361.442	2.342	10	10	FECE	
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1ccc(CO)c(Br)c1	2114228866	SLRJSDOVDXWMHU-NXEZZACHSA-N	350.278	2.199	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(CC(=O)Nc1ccc(N)cc1)C2	2272655587	PGXILZIRSYHYMM-BFUOFWGJSA-N	360.458	2.054	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2264513572	QIURGWFVFIXUIQ-MGPQQGTHSA-N	367.450	2.438	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)c1ncn2c1CN(C(=O)OC(C)(C)C)CC2	2337779449	LSRVUNOEAGVULR-UHFFFAOYSA-N	363.422	2.406	10	10	FECE	
CC(C)c1nc2c(n1C)CCN(CC(=O)NCc1ccc(N(C)C)cc1)C2	106373249	BHSVWCASAPVISK-UHFFFAOYSA-N	369.513	2.284	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)N3CCC[C@@H]3C3CC3)C2)cc1	1325973446	HMKATYSMLYNJKU-HNAYVOBHSA-N	371.481	2.039	10	10	FECE	
CSc1cccc(-n2c(C)cc(C(=O)CN3C[C@@H](O)C[C@@H]3CO)c2C)c1	184725852	QKWIALZJRNAUSO-SJORKVTESA-N	374.506	2.426	10	10	FECE	
CN1CCC(CNC(=O)N(C)Cc2ccccc2O)(N2CCCCC2)CC1	80493427	LDNZYDFVHBDAPC-UHFFFAOYSA-N	374.529	2.484	10	10	FECE	
CC[C@@H](CCO)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92284024	CALJAECFKXDJDD-IBGZPJMESA-N	374.529	2.179	10	10	FECE	
CC(=O)N(C(=S)Nc1nc2c(s1)CN(C)CC2)c1ccc(N)cc1	243213237	KGQQJVNBUSXVBX-UHFFFAOYSA-N	361.496	2.463	10	10	FECE	
COCCNc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)nc1	243289417	LCKQYJKHPWFPQO-UHFFFAOYSA-N	370.453	2.111	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N2C[C@H](C)Oc3cc(F)ccc32)c1	255581640	KWOLNRXVSKSOLV-RYBZSIHZSA-N	355.369	2.408	10	10	FECE	
COC[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1	285768354	DXHHLPFPSIHROI-LJQANCHMSA-N	369.465	2.215	10	10	FECE	
CN1CCN(c2ccc(CNC[C@H]3CCC4(CCOCC4)[C@H]3O)cc2)CC1	801735213	NQYNMZSQXDWKOC-CTNGQTDRSA-N	373.541	2.096	10	10	FECE	
Cc1cc(CCNC(=O)NCc2cnnn2C)c(C)n1-c1ccccc1	806346124	PGHXYTKIAUICGT-UHFFFAOYSA-N	352.442	2.265	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCN(C(=O)OCC)C1	808094088	AIAVUYWTTUPEIP-ZDUSSCGKSA-N	355.431	2.363	10	10	FECE	
O=S1(=O)CCN(Cc2cc(Br)ccc2O)[C@H]2CCC[C@@H]21	825201795	NYDGLQKKIJCESW-JSGCOSHPSA-N	360.273	2.306	10	10	FECE	
O=S(=O)(Nc1cnn(CC(F)(F)F)c1)c1cc(F)cc(F)c1O	821178099	OVDLTDITRKBSQZ-UHFFFAOYSA-N	357.260	2.230	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C[C@@]2(O)CCCN(C)C2)cc1F	900636629	KZFMURXTTDTRQV-IBGZPJMESA-N	351.466	2.135	10	10	FECE	
CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)CC(C)(C)OC)cc1	840912026	XRSVZGNJGONRAJ-UHFFFAOYSA-N	364.489	2.005	10	10	FECE	
CN(Cc1ccccc1O)C(=O)NCC1CCC(S(C)(=O)=O)CC1	924274625	QHBMUMWIVKDWCJ-UHFFFAOYSA-N	354.472	2.137	10	10	FECE	
CCNC(=O)c1ccc(NCc2ccc(N3CCSCC3)cc2)nn1	756767011	KZLWWCLDSNBKTP-UHFFFAOYSA-N	357.483	2.392	10	10	FECE	
COC(=O)c1cncnc1NCc1ccc(N2CCC(CO)CC2)cc1	786576052	OYKIZPRIMXBEDB-UHFFFAOYSA-N	356.426	2.084	10	10	FECE	
COc1cccc(F)c1[C@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1	785433939	PZKCTUPXRCRATF-ZDUSSCGKSA-N	373.428	2.394	10	10	FECE	
CC[C@@H](CN(C)C[C@@H](O)COc1ccc(N)cc1)NC(=O)OC(C)(C)C	2116684295	SFDOATMAEJDDSK-JKSUJKDBSA-N	367.490	2.244	10	10	FECE	
C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)CC(F)F	1328258063	VTNGJGYXXXDWDV-ZDUSSCGKSA-N	353.413	2.311	10	10	FECE	
CCOc1cccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)c1O	2126903635	WAKNFNODOZYCQP-HUUCEWRRSA-N	366.458	2.251	10	10	FECE	
COC[C@]1(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CCN(C(=O)OC(C)(C)C)C1	2124503041	GRBJDXXPTGJYFS-GUYCJALGSA-N	367.450	2.419	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3C[C@@H]4C[C@@H]4C3)cc2)CC1	1349027029	ZIQQIWZLRDZDTI-BCDXTJNWSA-N	355.482	2.454	10	10	FECE	
CS(C)(=O)=NCC1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	1347863591	JEFKQGVAVJLTLG-GQCTYLIASA-N	352.456	2.077	10	10	FECE	
COCC(C)(C)N(Cc1ccccc1)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1	1915483509	CQASEJNZIVCTCR-KRWDZBQOSA-N	372.465	2.421	10	10	FECE	
CN(CCCNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)[C@@H]1C[C@H]1C1CC1	1283574875	DFFXMCVCEXITOL-JKSUJKDBSA-N	371.441	2.473	10	10	FECE	
CNC(=O)N[C@H]1CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1	1447481050	HNKSXIBIZQZUSD-HNNXBMFYSA-N	358.417	2.377	10	10	FECE	
C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(N2CCOCC2)cc1	1544215265	STFKSVDYMGXAMO-CQSZACIVSA-N	356.422	2.354	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(S(C)(=O)=O)c(C)o1	1556515773	LQBNOOVXCZZCDU-UHFFFAOYSA-N	358.412	2.113	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3[C@H](C)O[C@H](C)[C@H]3C)CC2)c(OC)c1	1595996457	DIHNAEOIEINJKA-CUYVQJCZSA-N	362.470	2.412	10	10	FECE	
CCN1N=C(C)/C(=C\c2ccc(OCCN3CCOCC3)c(OC)c2)C1=O	1865665755	KEOZKOBZQYZQFH-GHRIWEEISA-N	373.453	2.028	10	10	FECE	
CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccc(O)c1O	1148220229	ZWXCYIKPSXGJCK-HNNXBMFYSA-N	373.405	2.486	10	10	FECE	
C[C@H](O)c1ccc(N2CC[C@@H](CS(C)(=O)=O)C2)cc1Br	2143670638	FJALHQIXSVSFJH-WDEREUQCSA-N	362.289	2.373	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CCC[C@H](C(=O)NCc2ccccc2O)O1	1879392565	MERGTAGGGMPOHZ-GDBMZVCRSA-N	364.442	2.471	10	10	FECE	
CN(CC(=O)NCC(F)(F)F)Cc1cc(Br)ccc1O	1972604861	KVDMDPMZYIIFNT-UHFFFAOYSA-N	355.154	2.265	10	10	FECE	
Nc1ccc(OCCC(=O)N2CC(NC(=O)OCc3ccccc3)C2)cc1	1999495611	ZUUPVZWGWUQEPI-UHFFFAOYSA-N	369.421	2.175	10	10	FECE	
CC(C)(C)OC(=O)NCc1nc(=NCc2cc(Cl)ccc2O)[nH][nH]1	2011841120	ABKVUOKJLLKDOG-UHFFFAOYSA-N	353.810	2.222	10	10	FECE	
C[C@H]1[C@H](NS(=O)(=O)Cc2ccc(N)cc2)CCN1Cc1ccccc1	310685043	MAGDIUKBFQVYCI-HNAYVOBHSA-N	359.495	2.351	10	10	FECE	
CC(C)(C)OC(=O)N(CCNS(=O)(=O)Cc1ccc(N)cc1)C1CC1	2044251264	YNMOUCACKVCWDV-UHFFFAOYSA-N	369.487	2.088	10	10	FECE	
C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1[C@@H](CN)c1ccc(N(C)C)cc1	2194811690	AEQCMUBSTQMCJD-WQVCFCJDSA-N	372.435	2.284	10	10	FECE	
CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2060610862	MNEUJXFRXUHKBZ-OLZOCXBDSA-N	354.455	2.133	10	10	FECE	
CCOC1(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)CN(C(=O)OC(C)(C)C)C1	2060616021	VKXSCXLMIBPSFD-GFCCVEGCSA-N	353.423	2.314	10	10	FECE	
CCCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)N1CC(N=[N+]=[N-])C1	2060611403	SVSCWNYXKBCQRT-QWHCGFSZSA-N	353.423	2.170	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(CCOc2ccc(N)cc2)CCO1	2106668610	JOISPIISLWZMCE-WMLDXEAASA-N	365.474	2.262	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(CN1C(=O)COc1ccc(N)cc1)C2	2106700155	WAJSFYSYRFAROL-UHFFFAOYSA-N	361.442	2.163	10	10	FECE	
C[C@@H]1CN(CC(=O)Nc2ccc(N)cc2)CC[C@H]1NC(=O)OC(C)(C)C	2106753824	LCBINEHJSJIDPW-CZUORRHYSA-N	362.474	2.442	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@H](F)CN1c1cc2c(cc1N)OCCO2	2106808298	RPQIVJXDSQIZJK-NWDGAFQWSA-N	367.421	2.482	10	10	FECE	
Cc1cccc(CNC(=O)c2cn(C)c(CNC(=O)OC(C)(C)C)n2)c1O	2204604479	HHDZLYBYQUNKII-UHFFFAOYSA-N	374.441	2.389	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CO)C2)c(OC)c1	2226805631	PBFCSDIXBFVXJN-ZFWWWQNUSA-N	366.458	2.416	10	10	FECE	
Cc1ccc(-n2c(C)cc(C=CC(=O)N3CCOC[C@H]3C(N)=O)c2C)cc1	2306180743	XMLPTPWAMDWNOJ-IBGZPJMESA-N	367.449	2.128	10	10	FECE	
COc1cc(C=C2SC(N3CCCC3)=NC2=O)ccc1OCC(=O)O	2313683594	HTQCEXTXKGCJQG-UHFFFAOYSA-N	362.407	2.225	10	10	FECE	
COCCNC(=O)Cn1cc(N[C@H](C)c2cc3c(cc2O)CCCC3)cn1	186498319	FEVIVSLJKWCATD-CQSZACIVSA-N	372.469	2.403	10	10	FECE	
CCCNc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1	243226382	KKKABHHIKDXPOL-UHFFFAOYSA-N	355.442	2.270	10	10	FECE	
CN(Cc1ccccc1O)C(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1	255320124	ZEBQFFGAHRSHIP-XFXZXTDPSA-N	360.435	2.436	10	10	FECE	
O=C1NC(=O)[C@@]2(CCCN(Cc3cc(-c4ccccc4)ccc3O)C2)N1	279402849	LEDRAZPXNAFORD-FQEVSTJZSA-N	351.406	2.233	10	10	FECE	
O=C1[C@@H]2[C@@H]3CCC[C@H]3CN2C(=O)N1Cc1ccc(N2CCOCC2)c(F)c1	277426254	RLOHXNUTYIGXFS-DAYGRLMNSA-N	373.428	2.225	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)CS(=O)(=O)NC(C)(C)C	801551192	IZEXHXBKCHLTHK-UHFFFAOYSA-N	356.488	2.239	10	10	FECE	
CN1CCc2cc([C@@H](O)[C@H](NC(=O)OC(C)(C)C)c3cn(C)nn3)ccc21	2166706333	ACBUWNBQFCZBDV-IAGOWNOFSA-N	373.457	2.107	10	10	FECE	
COc1cc(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccn1	816825760	MNDITZNEBIXUQJ-UHFFFAOYSA-N	355.438	2.128	10	10	FECE	
C[C@H](N[C@@H]1CCC(=O)N(C)C1=O)c1cc(Br)cc(F)c1O	818362047	OSNLOVNVMBSFOE-WRWORJQWSA-N	359.195	2.092	10	10	FECE	
CC[C@@H]1[C@H](CO)CCN1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	824681574	LZMUPADTYDEEKY-TXPKVOOTSA-N	361.486	2.324	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)c1ccn2nccc2n1	900254418	IHPGEISZKKBDGQ-UHFFFAOYSA-N	353.451	2.213	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cn(C2CCC2)nn1	843811931	RXXAOYOZGVQYJC-UHFFFAOYSA-N	373.432	2.033	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(F)(F)C3(O)CCCC3)C2)cc1	855227058	VTDUHPWZTTZUTC-ZDUSSCGKSA-N	354.397	2.331	10	10	FECE	
CCOc1ccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)cn1	758149049	SNWMWLRLQAOXGT-UHFFFAOYSA-N	363.439	2.118	10	10	FECE	
COc1ccc(N2CC[C@@H](N[C@@H](C)C3CCS(=O)(=O)CC3)C2)cc1	850489192	RWKWMXYGHSUAEA-GOEBONIOSA-N	352.500	2.077	10	10	FECE	
COc1ccccc1[C@H](O)CNCc1ccc(N2CCOCC2)c(F)c1	853092956	WOLXEWWDZUIJMI-LJQANCHMSA-N	360.429	2.494	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3cccc(C(=O)O)c3)C2)cc1	851651162	HHNGHGVNJVIKES-MRXNPFEDSA-N	369.421	2.472	10	10	FECE	
O=C(COCc1ccnc(O)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	860348733	ZXCBSLPZDXDCSO-QGZVFWFLSA-N	372.421	2.217	10	10	FECE	
COC(C)(C)[C@@H](C)NC(=O)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	1119880671	UBBBUMFDVQWIIN-LSDHHAIUSA-N	363.502	2.038	10	10	FECE	
CCn1nc2c(cc1=O)CN(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)CC2	776245774	OANFTCMLSYIUNL-AWEZNQCLSA-N	369.469	2.158	10	10	FECE	
C[C@H](NC(=O)N1CCS(=O)(=O)C(C)(C)C1)c1ccc(N(C)C)cc1	773614644	BIDZXEZAHJJPDX-ZDUSSCGKSA-N	353.488	2.032	10	10	FECE	
Cn1ccnc1N1CCC(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1	897547013	YLYUHTNBHPXNGU-UHFFFAOYSA-N	372.450	2.445	10	10	FECE	
CN1CCCc2cc(CNC(=O)CC[C@H]3CC[C@@H](C4OCCO4)O3)ccc21	895980912	OUAUJZMEEPDTJB-MJGOQNOKSA-N	374.481	2.386	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3CC(F)(F)C[C@H]3CO)CC2)cc1	780387814	TWMINTGECNQSAY-HNNXBMFYSA-N	369.412	2.076	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1(C)C	1142722517	FOELRRUEAWBPIV-HUUCEWRRSA-N	364.442	2.448	10	10	FECE	
Cc1cc(C=O)c(O)c(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1	1176083563	OCJFYPGUCQWVJJ-UHFFFAOYSA-N	367.449	2.195	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCO[C@]2(CCSC2)C1	1328119186	KFLWJKHFVCFUEE-LJQANCHMSA-N	359.495	2.480	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1	2124540035	BXBLOBXOLFWMTN-DYVFJYSZSA-N	367.450	2.297	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NCC1(CN=[N+]=[N-])CC1	2124504240	WTELMWTZUOXQFA-GFCCVEGCSA-N	363.422	2.052	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2COCC[C@@]2(C(=O)NCCCCN=[N+]=[N-])C1	2124518557	ZKXBJQGWKVAMSO-SUMWQHHRSA-N	367.450	2.467	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCN1C1CCCCCC1	1348584338	BZLKSFSQYSXHHK-SFHVURJKSA-N	373.497	2.264	10	10	FECE	
CCCNC(=O)OC[C@@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1	1449108915	PVNDXOZFWPJEBX-AWEZNQCLSA-N	350.415	2.158	10	10	FECE	
Cn1ccnc1[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1	1463885572	JVMWJHFOYWFAOU-GOSISDBHSA-N	355.369	2.419	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)Cn1cc(C(N)=O)c2ccccc21	1467841460	YDJNXYDPEOUJAS-UHFFFAOYSA-N	372.421	2.248	10	10	FECE	
COc1ccc(N2C(=O)N=C(O)/C(=C\c3cnc(N(C)C)nc3)C2=O)cc1	1127851	ABOOJDTWLILQEL-RIYZIHGNSA-N	367.365	2.058	10	10	FECE	
CN(C)S(=O)(=O)c1ccsc1C(=O)NCc1cccc(Cl)c1O	1647830436	WROSRWXDSOMNQO-UHFFFAOYSA-N	374.871	2.287	10	10	FECE	
C[C@H](NC(=O)Cc1csc(S[C@H](C)C(N)=O)n1)c1ccccc1O	1642830911	LNAMBEJHJDYSNH-VHSXEESVSA-N	365.480	2.235	10	10	FECE	
O=C(CN1C(=O)COc2ccc(Cl)cc21)N1Cc2cccc(O)c2C1	1587928697	QWHWJRODFBPOIU-UHFFFAOYSA-N	358.781	2.313	10	10	FECE	
O=C(NCCNC(=O)c1cccc2ccccc12)c1cc(O)c(O)c(O)c1	169839022	UFEFLWGCHHZNEL-UHFFFAOYSA-N	366.373	2.116	10	10	FECE	
Nc1ccc(CCC(=O)NC2CN(C(=O)OCc3ccccc3)C2)cc1	1977673267	XTRKOAARBCHQST-UHFFFAOYSA-N	353.422	2.339	10	10	FECE	
C[C@@H](N[C@H]1COCCN(C(=O)OC(C)(C)C)C1)c1cc(O)ccc1O	2034723870	VCDLNAYPXRCWKA-CHWSQXEVSA-N	352.431	2.384	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1nnc(Cl)cc1Br	2158891514	LDIJMNWJCGMDKU-UHFFFAOYSA-N	358.579	2.485	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C	2162947648	JEERWRFSAYAXHJ-SUNKGSAMSA-N	372.391	2.127	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Nc1c(N)cccc1C(=O)O	2058685392	WGPPHJOILJQVOI-CHWSQXEVSA-N	351.403	2.013	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1	2060640703	XVQZNHWOMUOREE-OLZOCXBDSA-N	353.423	2.171	10	10	FECE	
COc1ccc(N2C[C@@H](C)OC3(CN(C(=O)OC(C)(C)C)C3)C2)c(N)c1	2272838166	VIBYLFJKLFOWQB-CYBMUJFWSA-N	363.458	2.492	10	10	FECE	
CC(C)(C)OC(=O)N1CCCN(CC(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])CC1	2225802528	ZKIFKTVJHDYTKQ-ZIAGYGMSSA-N	366.466	2.277	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@]2(COc3nnc(=N)[nH]n3)CCCC[C@@H]12	2226141048	HGXKGCJNEUVISH-SJKOYZFVSA-N	364.450	2.018	10	10	FECE	
C[C@@H]1O[C@]2(C(=O)N3CC[C@@H](N=[N+]=[N-])C3)C[C@@]1(NC(=O)OC(C)(C)C)C2	2254811209	MYAUXFLWBCVCSK-OJXGSEEGSA-N	351.407	2.112	10	10	FECE	
CCc1ccc(N2NC(=O)C(=Cc3ccc(C(=O)OC)cc3)C2=O)cc1	2297334679	ACDDCTUWRZWPIN-UHFFFAOYSA-N	350.374	2.497	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C(=O)O)[C@@H]1c1ccc(O)c(O)c1O	2308894813	MFRVZKKRFYDNSZ-GVLSTKRJSA-N	351.355	2.186	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCN(C(=O)c3cccnc3)CC2)c1O	176890358	XUZRSFHNIQOSLR-UHFFFAOYSA-N	357.385	2.087	10	10	FECE	
COc1cc(/C=C2/SC(N3CCCC3)=NC2=O)ccc1OCC(=O)O	20289297	HTQCEXTXKGCJQG-NTEUORMPSA-N	362.407	2.225	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3C[C@@H]4CCC[C@H](C3)C4O)CC2)cc1	172132323	DMCORLJWYPIJBE-NYTJIUQPSA-N	373.497	2.466	10	10	FECE	
CCn1nccc1N1CCC[C@@H](NCc2ccc3c(c2)CCN3C)C1=O	191640398	IHUMFOMZSGYXGU-QGZVFWFLSA-N	353.470	2.181	10	10	FECE	
CN1CC[C@@H]2[C@H](CCCN2C(=O)/C=C\c2ccc(N3CCOCC3)cc2)C1	255338783	SYFRBVSCXOUCRD-HYHBTBHYSA-N	369.509	2.479	10	10	FECE	
CCc1nc(CNC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cs1	803686175	YGWGUPPXZJJVES-UHFFFAOYSA-N	372.494	2.021	10	10	FECE	
O=[N+]([O-])c1cc(Br)c(O)c([C@@H](C2CC2)N2CCNCC2)c1	575272504	MPHOGSAJDCNVKM-CYBMUJFWSA-N	356.220	2.419	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)C2	819485285	ROXLGZMOVPAIKF-UNQGMJICSA-N	362.426	2.012	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(C[C@@H](NCc3cc(F)ccc3O)CO2)C1	827067325	ZXBGQSPOGLZXLU-CQSZACIVSA-N	352.406	2.399	10	10	FECE	
COC(=O)[C@@H](NCc1cc(OC)cc(C(C)(C)C)c1O)c1ccn(C)n1	825659254	WPVPOBFFVWNYDW-INIZCTEOSA-N	361.442	2.436	10	10	FECE	
C[C@@H](CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1)N1CCCCC1=O	588563483	LGOMFAHJJPLEOC-JEZWAEDTSA-N	371.481	2.054	10	10	FECE	
CC1(C)COC[C@H]1NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	838700069	DAPVYFLOHQGOFI-OAHLLOKOSA-N	369.412	2.026	10	10	FECE	
C[C@@H](N)C[C@@H](C)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	831143271	MUACKLZFNQAEJP-IAGOWNOFSA-N	373.545	2.144	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)OC[C@H]2COCCO2)CCCC1	845297865	DSOYRFHISHEMKO-OAHLLOKOSA-N	359.422	2.487	10	10	FECE	
CN=[S@@](C)(=O)CCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC	912793781	KGVDZLUBLULNGJ-VWLOTQADSA-N	365.499	2.362	10	10	FECE	
C[C@@H](NC[C@@H](O)c1ccnn1C)c1ccc(N2CCOCC2)cc1Cl	927135655	ZWTSYJRITOAZPF-FZKQIMNGSA-N	364.877	2.294	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)NC3([C@H]4CCCCO4)CC3)cc2)CC1	924008270	RSFJHVDQLLOAHM-LJQANCHMSA-N	372.513	2.339	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc3c(c2)CCOC3)c1	850366368	VZNIUYDXDHQMIM-GFCCVEGCSA-N	370.405	2.289	10	10	FECE	
CCOC(=O)CC[C@H](C)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	853919620	CCPWTZKRJKOOIW-LSDHHAIUSA-N	363.458	2.305	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CN[C@@H]3CCNC34CCCC4)cc2)C1	925484429	FFMWYTLZIMCPMP-PKOBYXMFSA-N	356.514	2.153	10	10	FECE	
COc1cc(Br)cc([C@@H](C)N[C@@H](CO)c2ccnn2C)c1O	858435616	MWFZQQWKTHEWAV-SKDRFNHKSA-N	370.247	2.281	10	10	FECE	
Cc1cc(CCNC(=O)NCc2cc(Br)ccc2O)nn1C	926380282	UWPOZOCPOISNKF-UHFFFAOYSA-N	367.247	2.239	10	10	FECE	
CN(Cc1ccccc1O)C(=O)NCC1CCN(C2CCOCC2)CC1	854269976	BGAWQJWLSOCUQH-UHFFFAOYSA-N	361.486	2.425	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1cnn(-c2ccccc2)n1	935946224	BWXLYLPLQLZSTN-UHFFFAOYSA-N	357.410	2.318	10	10	FECE	
CC(C)[C@H](C)NC(=O)C1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1	768445274	REYPJGSHOCDLFV-SCLBCKFNSA-N	362.470	2.191	10	10	FECE	
COc1cccc(-c2nnn(Cc3ccc(N4CCOCC4)cc3)n2)c1	877874291	LCJZFVDWQIIKJO-UHFFFAOYSA-N	351.410	2.234	10	10	FECE	
COc1ccc(OC)c(C2=NO[C@H](C(=O)N3Cc4cccc(O)c4C3)C2)c1	871205133	ORONXBOGGWXOSR-IBGZPJMESA-N	368.389	2.445	10	10	FECE	
Cc1ccsc1[C@@H](CO)NCC(=O)N(C)Cc1ccc(N(C)C)cc1	778157869	FHFXJZKUBMJJDI-QGZVFWFLSA-N	361.511	2.404	10	10	FECE	
Cc1cn(C(C)(C)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cn1	895786349	SVKWYWTVORWDTB-UHFFFAOYSA-N	360.433	2.219	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC(CN=[N+]=[N-])CC2)CC1	2124542306	CIHZEHJMCLPIHK-UHFFFAOYSA-N	366.466	2.088	10	10	FECE	
C[C@H]1CSCCCN1C(=O)C(=O)NCCCSc1nccs1	1332702191	ZXRYTLZIQPTISX-NSHDSACASA-N	359.542	2.096	10	10	FECE	
C[C@H](NC(=O)C(=O)NC[C@H]1CC[C@H](C2CC2)O1)c1ccc(N(C)C)cc1	1333430318	UFPVACSJUJCEKQ-MORSLUCNSA-N	359.470	2.004	10	10	FECE	
CC(C)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(O)c(O)c(O)c1	2132405652	AVQDIGOBDOQIAU-UHFFFAOYSA-N	368.430	2.426	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc(N)cc2)[C@@H]2COC[C@H]21	2132572911	XCVXMCMLWISLHA-HUUCEWRRSA-N	362.430	2.121	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CO)(NCc2ccc(N3CCCC3)cc2)C1	1918573148	XFNPCCYHLXRQAX-UHFFFAOYSA-N	361.486	2.358	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)[C@H]2COc3ccccc3O2)cc1	1538159667	BHNKOOQWWDUQQR-LJQANCHMSA-N	356.422	2.430	10	10	FECE	
O=C(NCCCc1nc[nH]n1)N(Cc1ccco1)Cc1ccccc1O	1470731577	QKIXKTTUDQXCIY-UHFFFAOYSA-N	355.398	2.448	10	10	FECE	
CS(=O)(=O)CCc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1	1472533565	IWTLOJYGYYUEAU-UHFFFAOYSA-N	353.371	2.076	10	10	FECE	
COC(C)(C)Cn1c(C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1	1769513336	LQAGMLPUTXJKIK-UHFFFAOYSA-N	373.501	2.485	10	10	FECE	
CC(C)(C)OC(=O)NCCc1n[nH]c(=N[C@H]2CCc3cccc(O)c32)o1	2138814045	XQCAHSUIBRJGMH-LBPRGKRZSA-N	360.414	2.364	10	10	FECE	
COCCOCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1866103502	LHNYVRPTAOURMF-LJQANCHMSA-N	363.502	2.059	10	10	FECE	
CC1(C)[C@@H](CNCc2cc(Br)ccc2O)CCS1(=O)=O	1967856562	ALGYQLPTEMCPND-LLVKDONJSA-N	362.289	2.458	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NCc1ccc(F)c(F)c1O	2036602093	KHWOEPHISIZXHQ-DGCLKSJQSA-N	358.385	2.300	10	10	FECE	
O=C(CNCc1cc(Br)cc(F)c1O)Nc1nccs1	2175590787	WBIHNQNULXUGFL-UHFFFAOYSA-N	360.208	2.479	10	10	FECE	
CO[C@]1(CNC(=O)OC(C)(C)C)C[C@H](C(=O)N2CC[C@H](N=[N+]=[N-])C2)C1	2060637191	IBOZVHDQDRQBTL-MQIPJXDCSA-N	353.423	2.218	10	10	FECE	
CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2060618862	FIVFQIJBSXKWLV-QWHCGFSZSA-N	354.455	2.133	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@]1(C)C(=O)NCC1(CN=[N+]=[N-])CC1	2081166357	AZVMOFBCIPQDQX-OAHLLOKOSA-N	353.423	2.219	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CN(CC(=O)Nc3ccc(N)cc3)C[C@@H]2C1	2106763468	GJWARHISTABOPE-OKILXGFUSA-N	360.458	2.006	10	10	FECE	
O=S1(=O)C[C@@H]2CCC[C@@]2(NCc2c(O)cccc2Br)C1	2201871985	KFBLRVITYPXBIO-IINYFYTJSA-N	360.273	2.212	10	10	FECE	
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-]	2218737882	LJSULGGJPISWFT-ZDEQEGDKSA-N	353.423	2.358	10	10	FECE	
CC(C)(C)OC(=O)NCc1ncc(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])cn1	2225793538	XWLAUOKIWFAFDN-NWDGAFQWSA-N	361.406	2.463	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]12C[C@H]1CN(CCC(=O)Nc1ccc(N)cc1)C2	2288265798	BGCRIKBBUHQWCS-VBKZILBWSA-N	374.485	2.444	10	10	FECE	
Cc1nn(C)c(Cl)c1C=CC(=O)N(C)c1cccc(S(C)(=O)=O)c1	2305472542	CFTMXPSAODPDQC-UHFFFAOYSA-N	367.858	2.462	10	10	FECE	
C[C@H](N[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)c1c(O)cccc1O	2330888548	YUHXTOOGVHDTCV-RSUWNVLCSA-N	364.442	2.383	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2COC[C@@]2(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2333612052	CROYMELEZWAOMA-FJZAXULXSA-N	365.434	2.218	10	10	FECE	
COC(=O)COc1ccc(N(C)Cc2cnc3ccc(C#N)cn23)cc1	183229476	QVNOIVOJZXAKLE-UHFFFAOYSA-N	350.378	2.394	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cccc(C(N)=O)c1	77606713	SJDPGFQEJXNIPM-UHFFFAOYSA-N	361.467	2.062	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)N1C[C@H](C)c2ccccc21	134611755	DZEFFXFNKQUXKU-STQMWFEESA-N	354.406	2.295	10	10	FECE	
CCCCS(=O)(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92558725	YCCJUARTLDVSPM-UHFFFAOYSA-N	365.543	2.438	10	10	FECE	
CC(C)N1[C@H]2CC[C@H]1CN(CC(=O)NCc1ccc(N(C)C)cc1)CC2	245484086	GSOSJQIICPIHNK-PMACEKPBSA-N	358.530	2.316	10	10	FECE	
CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NCc2cccc(OC)c2O)C1	247326922	YFGKZKFRWAPYJB-ICBMNTSNSA-N	354.472	2.280	10	10	FECE	
O=C1[C@@H]2[C@@H]3CCC[C@H]3CN2C(=O)N1Cc1ccc(N2CCOCC2)cc1	277450456	STWQREWGXRLOOT-JQHSSLGASA-N	355.438	2.086	10	10	FECE	
COc1ccc(CNC(=O)N[C@H](C)c2nnc3n2CCCCC3)c(O)c1	375675936	FDBFYAUKCVYIAC-GFCCVEGCSA-N	359.430	2.279	10	10	FECE	
Cc1ccnc(C2CCN(CC(=O)NCc3ccc(N(C)C)cc3)CC2)n1	371823540	RDVADZATWXKIHO-UHFFFAOYSA-N	367.497	2.347	10	10	FECE	
C[C@@H]1CC[C@]2(CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C2)C1	376873062	XEZJNYKTUMIFRU-PXAZEXFGSA-N	352.456	2.416	10	10	FECE	
COC(C)(C)CS(=O)(=O)NCc1ccc(C)c(Br)c1O	2380730925	GKDBOUNIIWXIKS-UHFFFAOYSA-N	366.277	2.308	10	10	FECE	
C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1	299094774	KTRAUGJEPFNIPD-KRWDZBQOSA-N	373.497	2.130	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)NC3C[C@@H]4C[C@H]4C3)CC2)cc1	824144472	AWNGPPWGGXUBNW-IRXDYDNUSA-N	372.513	2.305	10	10	FECE	
CN(C/C=C/c1ccc(N(C)C)cc1)CC(=O)N1CCC(C(=O)O)CC1	901626120	CAOHMVLNXQHNQF-SNAWJCMRSA-N	359.470	2.021	10	10	FECE	
CC(C)(C)OC(=O)[C@@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)C1CC1	849953571	KVWVGQRBPPYEQV-OAHLLOKOSA-N	350.367	2.192	10	10	FECE	
CN1CC[C@@H](NC(=O)C(=O)Nc2ccc(N)cc2)[C@H]1c1ccc(F)c(F)c1	841077018	WSNGSFWWFWNQRC-IAGOWNOFSA-N	374.391	2.047	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1)C1(O)CCC1	2131455974	CRWTXAHFCYXTAE-CHWSQXEVSA-N	367.450	2.486	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCC(N3CC[C@@H](O)C3)CC2)cc1	853457935	ZUARYMYIEAWSFS-HXUWFJFHSA-N	374.529	2.273	10	10	FECE	
C[C@H](NS(=O)(=O)[C@@H]1COC(C)(C)C1)c1ccc(N2CCOCC2)cc1	858917909	GIEZTEMGAXGVAT-YOEHRIQHSA-N	368.499	2.071	10	10	FECE	
C[C@@H]1CC2(CO1)CC(NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)C2	924730893	UTLXTNUUWOOZLC-KIWBJTFRSA-N	357.498	2.436	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCOC[C@H]3C)cc2)CC1	1117277728	CDDLKKZDBAGVHN-VQIMIIECSA-N	373.497	2.080	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CCC[C@H]4C[C@@H]43)nc12	1118465505	JISMJGGWMSLDOX-UHTWSYAYSA-N	359.382	2.091	10	10	FECE	
Cc1csc2nc(CC(=O)NC[C@@H](N)c3ccc(N(C)C)cc3)cn12	870932504	GSCDOEZHYBDKTH-MRXNPFEDSA-N	357.483	2.129	10	10	FECE	
CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)ccc1C	775286307	NMJXWBHDXBXTPU-UHFFFAOYSA-N	365.367	2.368	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCOC[C@@H]2c2ncon2)c1	781919949	GMVUYCQQJOPRGJ-GFCCVEGCSA-N	354.204	2.420	10	10	FECE	
COC(=O)CN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(C)c(O)c1O	780933493	XRVISBBKNNTJBA-UHFFFAOYSA-N	365.332	2.500	10	10	FECE	
O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCS(=O)(=O)C1	1162090284	GDMBJAXYPXARQO-CYBMUJFWSA-N	360.391	2.425	10	10	FECE	
Cc1cc(CC(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)c(C)n1-c1ccccc1	1176541911	FYCQUQNPWRJCLJ-LEWJYISDSA-N	367.493	2.304	10	10	FECE	
CN(C)c1ccc(CN(C(=O)N[C@@H]2CC(=O)N(CC3CC3)C2)C2CC2)cc1	1245994968	OUZYKQJQJIXCGV-QGZVFWFLSA-N	370.497	2.438	10	10	FECE	
COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1	1329340482	WAULCEOPYIXIRH-IEBWSBKVSA-N	370.449	2.019	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)NC1CCC(C)(N2CCCC2)CC1	1341876000	LVKPFDZWWYVRKA-UHFFFAOYSA-N	373.497	2.264	10	10	FECE	
Cc1nnc(N(C)CC(=O)NC(C)C)n1CCCSc1nccs1	1290712132	DNBAKSVQBSMJGI-UHFFFAOYSA-N	368.532	2.186	10	10	FECE	
CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CCO1	1465713299	SXGGRJYFPYHSQI-ZDUSSCGKSA-N	362.386	2.032	10	10	FECE	
CCOC(=O)N1CCC([C@H](C)NC(=O)Cc2ccc(O)c(O)c2)CC1	1625817677	MIAWNLFWWYUJBI-LBPRGKRZSA-N	350.415	2.014	10	10	FECE	
O=C(NCc1ccc(O)cc1O)[C@H](O)Cc1cccc(C(F)(F)F)c1	1638357538	RYVULMHGZRBRBF-OAHLLOKOSA-N	355.312	2.336	10	10	FECE	
Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1ccc2cccnc2c1O	1638573198	MVPWGHXDJOYTHB-UHFFFAOYSA-N	356.313	2.500	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCN(C)C(=O)c1ccncc1	1632681085	MRYMOQDFPIMXTD-AWEZNQCLSA-N	371.437	2.092	10	10	FECE	
Cc1cc(C)n(-c2ccc(CNC(=O)Cc3ccc(O)c(O)c3)cn2)n1	1630400468	DWUQOZXSPQALPG-UHFFFAOYSA-N	352.394	2.154	10	10	FECE	
CC(=O)OCC(C)(C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1640232253	MUCKOSYSLGCROT-SFHVURJKSA-N	363.502	2.451	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1ccc(S[C@H]2CCOC2=O)cc1	1643103826	GXDMMHWZFHJVEN-INIZCTEOSA-N	359.403	2.435	10	10	FECE	
COc1cccc(CNC(=O)CNC(=O)Nc2cccc(Cl)c2)c1O	1595799663	CYAXTBYPOUJOQW-UHFFFAOYSA-N	363.801	2.492	10	10	FECE	
C[C@H](NCC1CCN(CCO)CC1)c1ccc(N2CCOCC2)c(F)c1	151880593	FMLBHOJBYBCNKP-INIZCTEOSA-N	365.493	2.017	10	10	FECE	
CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@]1(O)[C@@H](N)c1ccc2c(c1)CCN2C	1888020799	CAMNAZJBGVHNNW-ABSDTBQOSA-N	361.486	2.439	10	10	FECE	
O=C(c1ccc(O)c(O)c1)N1C[C@@H](CNC(=O)C(F)(F)F)C2(CCC2)C1	2174804670	JEECNGBKIGWBDH-LLVKDONJSA-N	372.343	2.019	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3NC(=O)c1ccc(O)c(O)c1	2169551151	IMKVRCPXZHDHHA-HNKZQRQQSA-N	374.437	2.472	10	10	FECE	
C[C@@H](CNC(=O)CCOc1ccc(N)cc1)N(C)C(=O)OC(C)(C)C	2044204269	KABDWFCBMPXHAJ-ZDUSSCGKSA-N	351.447	2.409	10	10	FECE	
CO[C@H]1C[C@@H](CNCc2cccc(O)c2O)N(C(=O)OC(C)(C)C)C1	2052355122	JPRIRPKQPFQXES-KBPBESRZSA-N	352.431	2.212	10	10	FECE	
COCC1(CNCc2ccc(O)c(O)c2)CN(C(=O)OC(C)(C)C)C1	2057845648	DXCZJTVDJJAKPB-UHFFFAOYSA-N	352.431	2.071	10	10	FECE	
C[C@@H](NCC1(CO)CN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1O	2081950157	YHTUHZGZHXFTEH-GFCCVEGCSA-N	354.422	2.411	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)COc3ccc(N)cc3)[C@H]1C2	2106254683	CDHWAKATIMFKPE-VBNZEHGJSA-N	361.442	2.162	10	10	FECE	
Cn1ncc(CNC(=O)Cc2ccc(N)cc2)c1NC(=O)OC(C)(C)C	2106236227	YMTLTOZYSBLQLF-UHFFFAOYSA-N	359.430	2.208	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-]	2225794495	GIEFWKPNRAWPGE-UPJWGTAASA-N	363.422	2.193	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](NC(=O)COc2ccc(N)cc2)C1	2226270268	SZGPDESSPOJTQN-TZMCWYRMSA-N	367.421	2.111	10	10	FECE	
CN(C)c1ccc(CNC2CC(NC(=O)OC(C)(C)C)(C(=O)O)C2)cc1	2337171874	NPJJGCQMKWQCPT-UHFFFAOYSA-N	363.458	2.353	10	10	FECE	
CCN(CC)C(=O)c1ccc2c(c1NCCO)C(=O)c1ccccc1C2=O	4193991	IGIGMLNQAVAOOX-UHFFFAOYSA-N	366.417	2.348	10	10	FECE	
COc1ccc(N2C(=O)/C(=C/Nc3cc(C)on3)C(=O)N=C2S)cc1	102713107	GIZSMJCXDOYLEH-XYOKQWHBSA-N	358.379	2.147	10	10	FECE	
CCCOc1ccc(CN2CCN(c3nccc(OC)n3)CC2)c(O)c1	129598598	RXVUSFXWFZHMRJ-UHFFFAOYSA-N	358.442	2.302	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)NC3CCCCC3)CC2)cc1	38588841	FRTCGUKUDLHOQJ-UHFFFAOYSA-N	360.502	2.449	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1	129797239	WOUKYFPGCNKJBP-ZDUSSCGKSA-N	372.391	2.057	10	10	FECE	
C[C@H](NC(=O)/C=C\c1ccc(N2CCOCC2)cc1)C(=O)N1CCCCC1	255507535	YPRGYXIJVCYFAD-JEZWAEDTSA-N	371.481	2.054	10	10	FECE	
Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2Cc1cc2c(cc1O)OC[C@H]2O	802748708	XFZIRGSUPZNTHM-QTRNOVCWSA-N	355.438	2.462	10	10	FECE	
C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(c2cc3c(cc2N)NC(=O)CC3)C1	2163129613	ZARGSNFPBPTRGX-ONGXEEELSA-N	370.375	2.047	10	10	FECE	
COc1cccc(O)c1CN1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21	809770509	ZIVTZBBQDCDGDR-GJZGRUSLSA-N	368.433	2.410	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(C(C)(C)O)c2)c1	806886785	UGZKYQHQSRNRAG-GFCCVEGCSA-N	372.421	2.444	10	10	FECE	
O=C(CCCCN1CCOCC1)NCc1cc(Br)ccc1O	804733464	QEGYCXUOBMMUBK-UHFFFAOYSA-N	371.275	2.273	10	10	FECE	
CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(CO)c1	711744336	KTXUZKDGSPEYJZ-HXUWFJFHSA-N	371.437	2.160	10	10	FECE	
O=C(O)/C=C/c1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)co1	901944710	YBHBVODWBVHHDJ-AATRIKPKSA-N	356.378	2.144	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1	835051708	GWGXDDYVBLVWJZ-YEODSOHDSA-N	365.543	2.369	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC2(C3CCC3)CCC2)c1	837218021	WGPQUAJBTIIVGM-UHFFFAOYSA-N	352.456	2.464	10	10	FECE	
Cc1ccc2c(O)c(C(=O)NC[C@@H](N)c3ccc(N(C)C)cc3)cnc2n1	832299737	GTGWZHUHLVLAST-QGZVFWFLSA-N	365.437	2.140	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ncc2c(n1)CCOC2	845338507	FELWULLDYMUXRK-UHFFFAOYSA-N	369.469	2.347	10	10	FECE	
COc1ccc(N2CC[C@@H](CNCc3c4c(nn3C)CCOC4)C2)cc1	922195109	BFGFDWAUBPNFPX-HNNXBMFYSA-N	356.470	2.118	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@H]1CN(C2CC2)C(=O)O1	847386021	PNVUKMQSJSKIKR-KDOFPFPSSA-N	374.485	2.274	10	10	FECE	
CNCc1ccccc1CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	851669834	UUEMYTRRPCGUSH-GOSISDBHSA-N	368.481	2.493	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccc(F)cc3)C2)cc1	852451194	FURJEPMKWRKOBE-QFBILLFUSA-N	373.428	2.446	10	10	FECE	
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)c2ccc(C)c(O)c2O)C1	855331597	ZESVTSRZZZTJOT-ZJUUUORDSA-N	361.316	2.220	10	10	FECE	
COc1ccc(O)c(CNCCOCCCNC(=O)OC(C)(C)C)c1	698784785	LGUZLVBIFCOXAY-UHFFFAOYSA-N	354.447	2.422	10	10	FECE	
Cn1nccc1-c1ccnc(NCc2ccc(N3CCOCC3)cc2)n1	865460253	ITCSIBAATSUBPC-UHFFFAOYSA-N	350.426	2.326	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@H](O)[C@H]2CCCO2)cc1	862653087	FDEYEXVQSWOJJC-VQTJNVASSA-N	370.449	2.105	10	10	FECE	
COCCN(C(=O)/C=C\c1cncc(O)c1)c1ccc(OC)c(OC)c1	770498794	GJFNDSRKBLPTJV-DAXSKMNVSA-N	358.394	2.497	10	10	FECE	
Cc1cc(C(=O)COC(=O)[C@@H]2CCN(C)C2=O)c(C)n1-c1ccc(F)cc1	772535269	WOGUYQYQRDRXDR-MRXNPFEDSA-N	372.396	2.437	10	10	FECE	
CCc1cnc(N2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)s1	779526572	ZRYCDQOFWZQGFD-GQCTYLIASA-N	359.451	2.479	10	10	FECE	
CN(C[C@H]1CCCCS1(=O)=O)c1ccc(CN)cc1Br	694103565	LOLPYQQWNRSRQT-GFCCVEGCSA-N	361.305	2.311	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ccc(O)c(O)c3)CC[C@H]2C1	2118176110	OMJCMDXNUYXCHT-KBPBESRZSA-N	362.426	2.427	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2C[C@H]2c2ccccc2)cc1F	1257519729	FIWCTXXJAJFYOD-RDJZCZTQSA-N	355.413	2.180	10	10	FECE	
C[C@H](NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1ccc(O)cc1O	1918962967	LRDWYBHLOWDVII-SGTLLEGYSA-N	352.431	2.120	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)c2ccnc(N(C)C)c2)N(C)C)cc1	1539236824	YXXJPBKLCWMLKV-SFHVURJKSA-N	355.486	2.246	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@]12CCCC[C@@H]1NC(=O)C2	1470555718	HMXBLRNCQDENTQ-UQASEVPWSA-N	372.513	2.493	10	10	FECE	
CN(C)CCC(=O)Nc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1	1542376228	CCRFMBFOAPDBJY-UHFFFAOYSA-N	357.410	2.169	10	10	FECE	
C[C@@H](CC(=O)NCc1cc(O)ccc1O)S(=O)(=O)c1ccc(F)cc1	1637126127	LYUWSPGAMBPJDX-NSHDSACASA-N	367.398	2.106	10	10	FECE	
O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/c1nc2ccccc2[nH]1	2278383	HIXAWXYJYIDAFO-WYMLVPIESA-N	360.373	2.267	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)c1cccc(Nc2nn[nH]n2)c1	1638573357	SYUOXGJDSYVBAR-UHFFFAOYSA-N	361.365	2.127	10	10	FECE	
CN(C)Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1	1637004809	QFCDFRGZUYYVDV-SFHVURJKSA-N	358.486	2.440	10	10	FECE	
CO[C@H]1C[C@@H](C(=O)NCc2cccc(C)c2O)N(C(=O)OC(C)(C)C)C1	2139750962	ODOZYYBEGOBLSH-GJZGRUSLSA-N	364.442	2.341	10	10	FECE	
O=C(CC[C@H]1CCC(=O)N1)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866201820	MYPLOJYCSKLTPF-GFCCVEGCSA-N	362.385	2.459	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)Nc3cc(N)ccc3F)cc2)CC1	883571328	DCNHUKUQBMUFKP-UHFFFAOYSA-N	357.433	2.481	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)NCCc2ccc(O)c(O)c2)C1	860235679	WSHFNBRQYPWNFS-CQSZACIVSA-N	362.426	2.370	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C	1445642583	AVRUMTOTOHPBPW-HIFRSBDPSA-N	350.415	2.033	10	10	FECE	
CNCc1ccc(N2CC(N3CCSCC3)C2)c(Br)c1	2191160400	LZBYYKUNXOMZHI-UHFFFAOYSA-N	356.333	2.406	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOCC[C@@H]1C(=O)N1CC[C@@H](N=[N+]=[N-])C1	2060636831	CASGADLZDSKRAS-FRRDWIJNSA-N	353.423	2.218	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)CN1CCC[C@@H](NC(=O)OC(C)(C)C)C1	2060610093	DDVGWJKFGFTKFS-CYBMUJFWSA-N	354.455	2.134	10	10	FECE	
Cn1ncc(Br)c1S(=O)(=O)Nc1ccc(O)c(Cl)c1	2089752492	GWUQUXARLATZCG-UHFFFAOYSA-N	366.624	2.342	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C[C@@H]2CCC[C@@H]21	2260032666	KQYVPWUCQZPNEY-HLLJILBFSA-N	350.459	2.336	10	10	FECE	
CNC(=O)c1cncc(C=CC(=O)N(CCN(C)C)c2ccccc2)c1	2297521523	UMOATESQHLQPKI-UHFFFAOYSA-N	352.438	2.049	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc2c(cnn2C)c1O	179457667	BXACIARXGWBVQV-UHFFFAOYSA-N	353.426	2.402	10	10	FECE	
CC(=O)N1CC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)C1	176284015	XSFJMBNQHPXIIQ-UYAOXDASSA-N	373.497	2.129	10	10	FECE	
COc1cccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1O	78960813	CGBRLSIMMPZJTF-UHFFFAOYSA-N	360.385	2.307	10	10	FECE	
CCCCNC(=O)c1cc(N2CCN(c3ccc(OC)cc3)CC2)ncn1	244037082	SWKKQGCOOJJQNA-UHFFFAOYSA-N	369.469	2.342	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCc3ccccc3C2)c1	271179035	CBHNBMNDRNQBRD-CQSZACIVSA-N	360.435	2.051	10	10	FECE	
O=C(NCCCSc1nccs1)NC[C@@H](CO)c1cccnc1	806958764	MDEXQLXXUPOGAS-ZDUSSCGKSA-N	352.485	2.096	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)Nc3nccc(N(C)C)n3)C2)cc1	824266139	WWPJUSYTKLDUSS-AWEZNQCLSA-N	370.457	2.199	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCN(CCCCCO)CC1	913695823	SEWLCBSSQQNFNC-UHFFFAOYSA-N	364.467	2.233	10	10	FECE	
CC(C)C(=O)N1CCC[C@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	917955076	WXJNZUUNHBMINA-IBGZPJMESA-N	373.497	2.129	10	10	FECE	
Cc1c(C(=O)NCc2cccc(Br)c2O)nn2c1OCCC2	830529640	NDTYFQDOQVNNNN-UHFFFAOYSA-N	366.215	2.372	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ncn(C(C)C)n1	845959027	AJDHMYGEXPCNAQ-UHFFFAOYSA-N	359.430	2.332	10	10	FECE	
Cc1cc(C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)c(C)n1-c1ccccn1	848368413	NDYLHQDAPJHCSI-HNNXBMFYSA-N	354.410	2.202	10	10	FECE	
CN1CCN(Cc2cccc(C(=O)NCc3c(O)cccc3F)c2)CC1	928706137	RRNZBCODPKLDKD-UHFFFAOYSA-N	357.429	2.209	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3sc(C)nc3C)C2)cc1	850536668	IVFTUJVCQJLXJC-CYBMUJFWSA-N	374.466	2.102	10	10	FECE	
O=C(Nc1cccc(C(=O)N2CCOCC2)c1)N1Cc2cccc(O)c2C1	929740887	XSKWQQFQTTXGMA-UHFFFAOYSA-N	367.405	2.412	10	10	FECE	
COC(=O)c1ccc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)o1	852110024	KSQVHDVEGDLYEP-ZDUSSCGKSA-N	373.409	2.153	10	10	FECE	
COc1ccccc1OCCN(C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	757508312	CEJZMSIUIYXUFE-UHFFFAOYSA-N	373.365	2.450	10	10	FECE	
Cc1ccc(C(=O)NC[C@@H]2COCCN2C)cc1-n1c(C)cc(C=O)c1C	862967976	CLMQUPPLNQFPLC-LJQANCHMSA-N	369.465	2.275	10	10	FECE	
COC(=O)c1ccc(CC(=O)NCCCSc2nccs2)cn1	865785164	MJRCRLFWFDMDAY-UHFFFAOYSA-N	351.453	2.166	10	10	FECE	
COC(=O)CCN(Cc1ccccc1)Cc1cc2c(cc1O)OC[C@@H]2O	768443921	JCPONLJIWLJMQH-SFHVURJKSA-N	357.406	2.383	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCS(=O)(=O)CC[C@H]2C)c1	763644839	AJHUBBVICSIRBL-LLVKDONJSA-N	362.289	2.472	10	10	FECE	
C[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1cncnc1	773980475	VSUAEOSQRSYHDW-OAHLLOKOSA-N	354.454	2.105	10	10	FECE	
C[C@@H]([C@H](C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1)S(C)(=O)=O	1135800313	COQYODRHEJYRRZ-GJZGRUSLSA-N	352.500	2.314	10	10	FECE	
C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@H](C)N1CCOCC1	896186363	HTYZSHJITCYIBX-QWRGUYRKSA-N	350.440	2.152	10	10	FECE	
COC(=O)[C@@H]1[C@@H](CNCc2ccc(N3CCC(CO)CC3)cc2)C1(F)F	894203824	WCMZYMRKNBHOSV-SJORKVTESA-N	368.424	2.039	10	10	FECE	
Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CCC[C@H](N=[N+]=[N-])C2)cn1	2124535112	KSALZZRHBZMBCW-QWHCGFSZSA-N	363.422	2.287	10	10	FECE	
C[C@H]1CSCCCN1C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	1332872239	RRMUXJPFSZUZKF-HNNXBMFYSA-N	359.495	2.033	10	10	FECE	
O=C(NC1(C(=O)NCc2ccc(O)cc2O)CC1)OCc1ccccc1	1299579498	BHQLSSYZBACWRB-UHFFFAOYSA-N	356.378	2.173	10	10	FECE	
C[C@H](c1ccc(O)cc1O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O	2136357129	HRSXDUIPDLMGLJ-RISCZKNCSA-N	366.414	2.165	10	10	FECE	
COC(=O)[C@H]1CN(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)CCO1	1479101140	YGQVMHVIMDSXQT-GOSISDBHSA-N	371.437	2.178	10	10	FECE	
Cc1cc(CCNC(=O)NC[C@@H]2COCCN2C)c(C)n1-c1ccccc1	1637409834	CYQJLIWZEKAMMB-HXUWFJFHSA-N	370.497	2.266	10	10	FECE	
CCC[C@H](C(=O)OCC)n1ccc(NC(=O)Cc2ccc(O)c(O)c2)n1	1632461894	BWFJFSLETFNJJL-CYBMUJFWSA-N	361.398	2.380	10	10	FECE	
C[C@H](NC(=O)c1ccnc2[nH]cnc12)c1ccc(N2CCOCC2)cc1	1583675901	CFZGRPBKBFVUBW-ZDUSSCGKSA-N	351.410	2.286	10	10	FECE	
C[C@H](COCC1CC1)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1682488658	IOHYDLFEBQBWFE-BEFAXECRSA-N	362.518	2.470	10	10	FECE	
Cc1nccn1C[C@H]1CCCN1CC(=O)NCc1ccc(N(C)C)cc1	154577379	WYARKDZFHSPEHY-LJQANCHMSA-N	355.486	2.038	10	10	FECE	
COc1ccc(C2=NN(CCO)C(=O)/C2=C\c2cccc([N+](=O)[O-])c2)cc1	18192208	GKYLZEDMZBSAEB-ATVHPVEESA-N	367.361	2.226	10	10	FECE	
CCOC(=O)CCN(CC)C(=O)CCNCc1cc(Cl)ccc1O	1857864733	DENUPMYGZBHDNM-UHFFFAOYSA-N	356.850	2.327	10	10	FECE	
CN1CCc2cc([C@H](N)[C@H](O)[C@@H]3CCCN3C(=O)OC(C)(C)C)ccc21	1892266864	NYTULLNDCJGEHU-OKZBNKHCSA-N	361.486	2.439	10	10	FECE	
O=S1(=O)CC[C@@]2(CCCN2c2ccc(CO)c(Br)c2)C1	2158453407	JEHROZBXNNKBTA-AWEZNQCLSA-N	360.273	2.099	10	10	FECE	
CN(Cc1c(Br)nnn1C)c1cc(Cl)c(CN)cc1F	2177385020	HIMPTSJTGQDIID-UHFFFAOYSA-N	362.634	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1CCNC(=O)CCN(CCCCN=[N+]=[N-])CC1	2054256021	SJLHBYWKGMBHDO-UHFFFAOYSA-N	354.455	2.136	10	10	FECE	
COc1ccc(N2CCO[C@@H](CCNC(=O)OC(C)(C)C)C2)c(N)c1	2055861979	JOYXBDFQHIBHQQ-AWEZNQCLSA-N	351.447	2.397	10	10	FECE	
C[C@@](NC(=O)C(F)(F)F)(C(=O)N1CCC(N=[N+]=[N-])CC1)C(F)(F)F	2060638898	CDRYEPDQORLQSF-SECBINFHSA-N	361.246	2.287	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)C[C@H]1COCC[C@@H]1NC(=O)OC(C)(C)C	2060613992	XIIWCKTWNOMIQS-STQMWFEESA-N	355.439	2.465	10	10	FECE	
CN(C)CCN(CC(=O)N1CCC[C@H]1CN=[N+]=[N-])C(=O)OC(C)(C)C	2060618294	XKBFHFWLXRGFRA-ZDUSSCGKSA-N	354.455	2.086	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NCc3ccc(F)cc3O)[C@H]2C1	2084167689	DKJWZWCRGHTBNW-FMKPAKJESA-N	352.406	2.255	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)[C@H](CN(C)C)NC(=O)OC(C)(C)C	2106857437	KUPRBOBUPGRAAL-FUHWJXTLSA-N	362.518	2.394	10	10	FECE	
C[C@@H](O)c1ccc(N2CC(S(=O)(=O)C(F)F)C2)cc1Br	2206680127	DDIFZWCZZFUSIY-SSDOTTSWSA-N	370.215	2.328	10	10	FECE	
Cn1ccc(NC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1	120810713	FMXOWZKDDIEPLR-UHFFFAOYSA-N	368.485	2.274	10	10	FECE	
O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1ccc2c(c1)OCO2	41374282	YZGDUKGQSFLAPF-UHFFFAOYSA-N	362.407	2.053	10	10	FECE	
N#Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)O)cc1Cl	321848605	JMJMJBIVEQFKSZ-UHFFFAOYSA-N	352.755	2.416	10	10	FECE	
C[C@@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)N1CCCCC1=O	190345967	LGOMFAHJJPLEOC-JEJOPICUSA-N	371.481	2.054	10	10	FECE	
COc1cc(O)c(CNCCN2CCc3ccccc3C2=O)cc1OC	191684367	TZFJAKYSUIVUIK-UHFFFAOYSA-N	356.422	2.198	10	10	FECE	
Cc1nn(C)c(Cl)c1/C=C\C(=O)N(C)c1cccc(S(C)(=O)=O)c1	255908724	CFTMXPSAODPDQC-HJWRWDBZSA-N	367.858	2.462	10	10	FECE	
COc1ccsc1/C=C1\SC(=S)N(CCN2CCOCC2)C1=O	268702970	AHKMWSZLMDRAFN-RAXLEYEMSA-N	370.521	2.290	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)N[C@H]3CC[C@@H]3C)CC2)cc1	805864428	KFFZEVVWEXMOLF-LPHOPBHVSA-N	360.502	2.305	10	10	FECE	
CNC(=O)c1cccc(C(=O)NCc2cc(Br)ccc2O)c1	804738980	LHSIFKZPZYYDAG-UHFFFAOYSA-N	363.211	2.444	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2C[C@H](C(F)(F)F)OC[C@@H]2C)c1O	809696705	OZPCSCZPOKCHSM-GZMMTYOYSA-N	350.293	2.461	10	10	FECE	
Cc1cc(Cl)cc(CN[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1O	809693359	UJZGBCHUMWIQKX-NSHDSACASA-N	374.812	2.266	10	10	FECE	
O=C(c1cn(CC2CC2)nn1)N(Cc1ccccc1O)C[C@@H]1CCCO1	825775995	AEFCBXFPBXLDFZ-INIZCTEOSA-N	356.426	2.215	10	10	FECE	
COc1cc(O)c(CNC[C@H]2CS(=O)(=O)c3ccccc32)cc1OC	824514782	CIFXWGBGGBBKPV-ZDUSSCGKSA-N	363.435	2.070	10	10	FECE	
CCc1cc(N2CCC(NC(=O)/C=C\c3ccc(O)c(O)c3)CC2)ncn1	588406886	HJXCFDKWTAHQLH-XQRVVYSFSA-N	368.437	2.249	10	10	FECE	
CCC[C@@H](C)[C@@H](CO)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	823520127	UJZAFYXBMUJGPV-DNVCBOLYSA-N	363.502	2.244	10	10	FECE	
CCN1CCO[C@@H](C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)C1	746105772	FSTCCDUPUBIGSI-HXUWFJFHSA-N	355.482	2.474	10	10	FECE	
Nc1ccc(CCNC(=O)C(=O)Nc2ccnn2C2CCCCC2)cc1	841176656	VVLNCVUYHILSET-UHFFFAOYSA-N	355.442	2.268	10	10	FECE	
COc1cc(Br)cc([C@H](C)NC[C@H](CO)[C@H]2CCOC2)c1O	848549796	UNTMFTRLSUZTOS-SDDRHHMPSA-N	374.275	2.459	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2c3ccccc3CC[C@@H]2CN)cc1	852755973	NYSRWXPJIDPWNM-LJQANCHMSA-N	352.482	2.149	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N(C)[C@@H](C)c3nc(C)no3)C2)cc1	852449672	VTOPTWXSTUPSJP-GXTWGEPZSA-N	359.430	2.368	10	10	FECE	
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1	756667782	YFQPBEORQMEYCX-CYBMUJFWSA-N	373.413	2.139	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCC(CN(C)C)CC3)C2)cc1	854301434	PHSQKOOXHGCPIV-QGZVFWFLSA-N	360.502	2.257	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](NC(=O)c2ccccn2)C(C)C)c1	761973547	RHKVWTXMGUPZMP-UGSOOPFHSA-N	371.437	2.428	10	10	FECE	
CC(C)OC[C@@H](O)CNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	872199729	ASXKTVUXDGXBGZ-ZOBUZTSGSA-N	354.466	2.315	10	10	FECE	
Oc1c(F)cc(Br)cc1CN1CC[C@H](Cn2ccnn2)C1	895229440	VOWIPWOVAXHTPK-JTQLQIEISA-N	355.211	2.407	10	10	FECE	
Cn1ccnc1CNc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1	1137464717	MJXCLZJISACKGC-UHFFFAOYSA-N	366.421	2.416	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN3CC(C)=C[C@@H](C)C3)CC2)cc1	797526584	VKUUIASBTOUMML-YLJYHZDGSA-N	359.514	2.076	10	10	FECE	
CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)Cc2ccc(O)c(O)c2)n1	1147875399	UWJHUXQHULGKCP-LBPRGKRZSA-N	363.414	2.416	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)Cc3ccc(O)c(O)c3)C2)cc1	1162726669	ZNJQBQVRJJNIIQ-OAHLLOKOSA-N	356.422	2.292	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CN(c1cc3c(cc1N)NC(=O)CC3)C2	2117041659	VKSGHCUVRSEZCH-STQMWFEESA-N	358.442	2.352	10	10	FECE	
CC(C)[C@@H](C(=O)NCc1cc(O)ccc1O)S(=O)(=O)C1CCCCC1	1176748487	UCUFMKQEBKXMRW-KRWDZBQOSA-N	369.483	2.486	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)c3cccc(O)c3O)C[C@H]2C1	2118183848	GKGYTLAHBYHDKC-CLLJXQQHSA-N	362.426	2.473	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccoc1C1CC1	1321326032	PKPXMSIXKUAALW-AWEZNQCLSA-N	359.378	2.472	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](C)n1cccc1	1321367456	XBWWTQTZHRQAAS-ZFWWWQNUSA-N	360.410	2.141	10	10	FECE	
CC(C)OC(=O)[C@@H]1CCCN1Cc1ccc(N2CCN(C)CC2)c(F)c1	1254018274	GUJKBOQJLZJVFH-IBGZPJMESA-N	363.477	2.494	10	10	FECE	
CCN(C(=O)c1cc(O)c(O)c(O)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	2132405418	ZDYLGARNRYWJHA-GFCCVEGCSA-N	366.414	2.275	10	10	FECE	
CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@]1(O)CCO[C@H]1C	1509137286	JUPOGNQYQRQQQB-YWZLYKJASA-N	374.485	2.359	10	10	FECE	
CN(C)[C@H](CNC(=O)Cc1ccc(O)c(O)c1)c1c(F)cccc1F	1293627288	ZEYPNWZMVLTKBZ-CQSZACIVSA-N	350.365	2.338	10	10	FECE	
COc1ccc(N(C)C(=O)C2=C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)cc1	2136291182	VEIYUPDRBZABPB-HOTGVXAUSA-N	362.426	2.242	10	10	FECE	
O=C(Nc1ccc(F)c(-n2nnnc2C2CC2)c1)c1cccc(O)c1O	1465460595	JHHWVCSPJJFDJA-UHFFFAOYSA-N	355.329	2.342	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)NCc2ccc(O)c(O)c2)C1(F)F	1465953091	CJNSIEOSBIWJNX-ZWNOBZJWSA-N	372.368	2.120	10	10	FECE	
CCN(C)[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1	1471546287	AZLRKOYPFCSTHP-MOPGFXCFSA-N	361.534	2.091	10	10	FECE	
CN1C(=O)[C@H](NC(=O)NCc2cc(Cl)ccc2O)Cc2ccccc21	1478956544	ZWXUYJMMWQULBL-CQSZACIVSA-N	359.813	2.433	10	10	FECE	
Oc1ccccc1CN[C@@H]1[C@H]2CO[C@@H](O2)[C@@H](Sc2ccccc2)[C@H]1O	1614586033	AGUBEXLUYDPTRA-GFEQUFNTSA-N	359.447	2.127	10	10	FECE	
CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)/C=C\c1ccc(O)c(O)c1	1639667727	OROZZKUFRYLASR-SECOEOQKSA-N	366.417	2.201	10	10	FECE	
CC(C)c1nnc(NC(=O)CCC(=O)NCc2c(O)cccc2O)s1	1639292983	YRCZZIRQPHRMCU-UHFFFAOYSA-N	364.427	2.108	10	10	FECE	
COc1cccc(CNC(=O)[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)c1O	1631543931	YPKMLBXNFMSMMZ-STQMWFEESA-N	350.415	2.178	10	10	FECE	
CC(C)c1nnc(N(C)Cc2ccccc2O)n1CCN1CCOC[C@@H]1C	1760897222	XIQRNPOOOUXANS-INIZCTEOSA-N	373.501	2.464	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3CCC([C@H](C)O)CC3)CC2)cc1	158631125	DMPPAYAFIGUNJH-HNNXBMFYSA-N	361.486	2.466	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(=O)c3cccc(OC)c3)CC2)cc1	1858136307	QMXKACSPZUESES-UHFFFAOYSA-N	354.406	2.235	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc(OC)c(OC)cc3N)CC2)cc1	1866339179	KECUZVDXAUSDHQ-UHFFFAOYSA-N	371.437	2.257	10	10	FECE	
COCC1(C(=O)NCCCN=[N+]=[N-])CCN(C(=O)OC(C)(C)C)CC1	1963704783	UJAMEHLFKKGKCJ-UHFFFAOYSA-N	355.439	2.467	10	10	FECE	
C[C@H](NCc1ccc(Br)cc1O)[C@H]1CCCS(=O)(=O)C1	2146112300	LPEMQQPGEMRKLP-JQWIXIFHSA-N	362.289	2.458	10	10	FECE	
O=C(N[C@H]1C[C@@H](NC(=O)c2ccc(O)c(O)c2)C1)OCc1ccccc1	1982319370	VTXCJCGKWPQRQY-GASCZTMLSA-N	356.378	2.285	10	10	FECE	
COC(=O)[C@H](CCNCc1cccc(F)c1O)NC(=O)OC(C)(C)C	2028194486	BXUUCDLQBVHNRO-ZDUSSCGKSA-N	356.394	2.077	10	10	FECE	
CN(Cc1ccc(N)cc1)Cc1cn(C)nc1I	2031605924	BCGPFFIQWOPERL-UHFFFAOYSA-N	356.211	2.239	10	10	FECE	
C[C@@H](NC[C@@H]1COCCN1C(=O)OC(C)(C)C)c1ccc(O)cc1O	310644473	HZGDPVBULVISQE-CHWSQXEVSA-N	352.431	2.384	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)COc2ccc(N)cc2)C1	2106230780	QIDBRYIUFKWTMW-CQSZACIVSA-N	363.458	2.411	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](NC(=O)COc3ccc(N)cc3)C[C@@H]21	2106264549	HYIVJODHUFDQEJ-PMPSAXMXSA-N	361.442	2.162	10	10	FECE	
CN1CCc2cc([C@H](N)[C@@H]3[C@@H]4OCCN(C(=O)OC(C)(C)C)[C@@H]43)ccc21	2106854656	GHOQOFLUSFFVMN-FJIDUMEYSA-N	359.470	2.313	10	10	FECE	
COCC[C@H](CNCc1cc(OC)ccc1O)NC(=O)OC(C)(C)C	2218564172	BSSJOXGSYPVGCA-CQSZACIVSA-N	354.447	2.420	10	10	FECE	
CO[C@H](C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-])C1CN(C(=O)OC(C)(C)C)C1	2218740252	IJXDSKCGHQRYCG-AVGNSLFASA-N	353.423	2.216	10	10	FECE	
CC(C)(C)OC(=O)NCCn1cc(NC(=O)c2ccc(O)c(O)c2)cn1	2229393269	NFQPXMCWMGCMLJ-UHFFFAOYSA-N	362.386	2.071	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N[C@@H]1Cc2ccccc2[C@@H]1O	2302272295	HLIANXLMBBLRGR-IRLDBZIGSA-N	364.445	2.311	10	10	FECE	
C[C@@H](N[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)c1c(O)cccc1O	2330890716	YUHXTOOGVHDTCV-BRXULGCHSA-N	364.442	2.383	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NCc3ccc(O)cc3O)C[C@H]21	2342939848	NTOGMLQYQZDLDC-YSVLISHTSA-N	364.442	2.354	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@@H]1C[C@@H](N)CCO1	1952118550	GXGQUWVTZSJLOJ-ZENOOKHLSA-N	352.431	2.040	10	10	FECE	
NS(=O)(=O)c1ccc(NCc2cccc(O)c2O)c(Br)c1	41117553	BDISLOLMWJRPKI-UHFFFAOYSA-N	373.228	2.120	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1c2ccccc2C[C@H]1C	808543638	LHAHEEKHTHFDJU-XOKHGSTOSA-N	371.433	2.472	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)NCCCC3CC3)CC2)cc1	804318844	UFRBUCANDKDKMK-UHFFFAOYSA-N	359.470	2.087	10	10	FECE	
CC(=O)C(=O)COC(=O)CCc1c(C)nc2c3ccccc3nn2c1C	808498037	JVRQQXWINSWDFN-UHFFFAOYSA-N	353.378	2.133	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CN=c3cc[nH]c4cccnc34)cc2)C1	814827796	CMPWOEZGAIMXBW-MRXNPFEDSA-N	361.449	2.366	10	10	FECE	
Cc1cc(CC(=O)NC2CCS(=O)(=O)CC2)c(C)n1-c1ccccc1	822010699	JKQVZQDDSNVLKM-UHFFFAOYSA-N	360.479	2.330	10	10	FECE	
C[C@@]1(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C[C@@]1(F)Cl	846414299	WWZGLEWMBDUIJV-KGLIPLIRSA-N	364.826	2.198	10	10	FECE	
CC[C@H]1CN(c2ccccc2)CCN1C(=O)C(=O)Nc1ccc(N)cc1	841107780	LGJPGHVAKDPCPM-KRWDZBQOSA-N	352.438	2.335	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CCS1	929804260	LEVQIUWNFLCJGU-CZUORRHYSA-N	361.511	2.086	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCCN3CC(F)(F)F)C2)cc1	855223472	AJLNCDQCMFLVDR-CZUORRHYSA-N	371.403	2.417	10	10	FECE	
COc1cc(N2CCC[C@@H](C(=O)NC(C)C)C2)c([N+](=O)[O-])cc1OC	853963257	UHUHAMUFKAZUFE-GFCCVEGCSA-N	351.403	2.353	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)/C=C/c3nccs3)CC2)cc1	1346871087	CYQWJSMJKXAMOP-VOTSOKGWSA-N	372.494	2.103	10	10	FECE	
CCOC1CC2(C1)C[C@H]2C(=O)NCc1ccc(N2CCC(O)CC2)cc1	869294719	DUMJDAJUJJTDSQ-SCCNAQOGSA-N	358.482	2.469	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1	869996518	FZOXKVIQHPTUQM-RTBURBONSA-N	371.462	2.280	10	10	FECE	
COC(=O)[C@@H]1CC[C@H](C(=O)NCc2cc(C)n(-c3ccccc3)c2C)O1	863162681	VDHHBLMXNCABCZ-MSOLQXFVSA-N	356.422	2.431	10	10	FECE	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCc2nn[nH]n2)cc1	864794607	ONBYBLWQDYDYFV-UHFFFAOYSA-N	354.414	2.020	10	10	FECE	
CCOC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1	864984284	LTCLTVBVDRVIIH-DLBZAZTESA-N	360.454	2.119	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC[C@@]12CCCC[C@@H]1C2	1119818298	WANSHBFVJISALG-UTKZUKDTSA-N	353.466	2.376	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NCc1ccc(Cl)o1	775223961	CPMXQHUNSJENJO-UHFFFAOYSA-N	359.813	2.242	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@H]1[C@H]2OCCC[C@@H]21	780026611	YUSGFDJTFQQGNX-NJYVYQBISA-N	369.509	2.260	10	10	FECE	
CSCC[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)N(C)C	897778272	XUXLDURVMATYNL-JTQLQIEISA-N	368.480	2.252	10	10	FECE	
COc1cc(O)c(CNC[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)cc1OC	895819555	ASWACQNOHBQCSR-VODUFIJXSA-N	351.443	2.472	10	10	FECE	
CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(N=NC(N)=O)cc1	1136497868	YTRZTGVPOINRSK-LBPRGKRZSA-N	363.443	2.279	10	10	FECE	
C[C@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@@H](C)S(C)(=O)=O	1135800318	COQYODRHEJYRRZ-LSDHHAIUSA-N	352.500	2.314	10	10	FECE	
COc1ccc(CNC(=O)CN2C(=O)CSc3ccccc32)c(O)c1	794389244	JEVVDKQHRKBROB-UHFFFAOYSA-N	358.419	2.156	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N(C)CCN(C)CCO)c2C)cc1	1149203829	BPQDZHCWPJUECV-UHFFFAOYSA-N	359.470	2.099	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1	1304053404	KLYFMEMKBSCCAW-JTQLQIEISA-N	362.332	2.045	10	10	FECE	
O=C(CCC(=O)N1CCc2sccc2C1)NCc1c(O)cccc1O	1304050177	JTNSTRJHAPGWEK-UHFFFAOYSA-N	360.435	2.141	10	10	FECE	
CC(C)(C)OC(=O)N1CCCN(CC(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CC1	2124515004	IEHJZUAWNWUFFX-AWEZNQCLSA-N	366.466	2.088	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@@H](O)c2cnc[nH]2)cc1	1177838349	XIRPUQMUBBDGEL-LJQANCHMSA-N	366.421	2.022	10	10	FECE	
O=C(NCC[C@H]1CC1(F)F)C(=O)NCc1ccc(N2CCCC2)cc1	1328513517	TYJRRFFSMUGFIC-AWEZNQCLSA-N	351.397	2.065	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H]1CCOC[C@@H]1NC(=O)OC(C)(C)C	2124304624	GHXHVKHDQKPOEA-GJZGRUSLSA-N	364.442	2.280	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1Cc2cccnc2C1	1347964579	GDYKTXMZWFDGJU-MRXNPFEDSA-N	369.440	2.213	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)N[C@@H]3CC=CC[C@H]3C)C2)cc1	1262290915	NNKHGAGGKAXXKF-JTDSTZFVSA-N	371.481	2.109	10	10	FECE	
COc1ccc(CNC(=O)C[S@](=O)c2ccc(Cl)cc2)c(O)c1	1556354868	XGDCUZJICQJLQL-QHCPKHFHSA-N	353.827	2.478	10	10	FECE	
CSc1ccc(N2C[C@@H](C(=O)NCc3cc(O)ccc3O)CC2=O)cc1	1633595445	WDOXPPRKALSJJT-ZDUSSCGKSA-N	372.446	2.489	10	10	FECE	
CS(=O)(=O)c1ccc(OCCC(=O)NCc2c(O)cccc2F)cc1	1635360674	PUUWIPAJSFUXQC-UHFFFAOYSA-N	367.398	2.020	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2CNCc1cc2c(cc1O)OCO2	2138281892	ITQITXIZOFSCAI-RDBSUJKOSA-N	362.426	2.466	10	10	FECE	
CCOCCn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1O	1696431416	HSGPBODZEJZYAR-UHFFFAOYSA-N	354.414	2.114	10	10	FECE	
CCSc1nnc(NC(=O)CN2C(=O)[C@@H](CC)SC2=S)s1	11635695	BNOXJAGWSJKUBT-ZCFIWIBFSA-N	362.527	2.228	10	10	FECE	
C[C@@H](NC(=O)Nc1cnc(N(C)C)nc1)c1ccc(N2CCOCC2)cc1	154449679	DNKVVDLYOFJNLH-CQSZACIVSA-N	370.457	2.262	10	10	FECE	
C[C@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C)c1ccccc1O	827959625	DJFIUALPEAGIMB-ZFWWWQNUSA-N	363.458	2.121	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3cccc(O)c3O)CC[C@H]2C1	1962830731	LTVYRKPVUABOKN-YUTCNCBUSA-N	362.426	2.473	10	10	FECE	
CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccccc1O	1151885658	AWOYIYQDACNWPM-BXUZGUMPSA-N	366.414	2.026	10	10	FECE	
Oc1cc2c(cc1CNC[C@@H]1CN(Cc3ccccc3)CCO1)OCO2	238130155	ONOJCCBAJSUQIW-QGZVFWFLSA-N	356.422	2.112	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)C1	2044238435	ICMYMABKBNPJAU-OAHLLOKOSA-N	369.487	2.088	10	10	FECE	
Cc1nc(CNC(=O)OC(C)(C)C)sc1C(=O)C(=O)C[C@H]1C[C@H](N)C1	2049781887	AKSMIBPLZHKKME-XYPYZODXSA-N	367.471	2.355	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1	2060610418	HPYCSGUFDVKXMH-BLLLJJGKSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2060635695	OGLUVFXPUCLFHE-CYBMUJFWSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1)C(C)(C)O	2067739868	LGNYHHLCPUWLLO-NWDGAFQWSA-N	355.439	2.200	10	10	FECE	
COc1cccc(O)c1CN[C@@H]1[C@H](NC(=O)OC(C)(C)C)[C@@H]2CCO[C@H]21	2104431678	HHCFRBXUNWDMJM-KSHAWTQOSA-N	364.442	2.171	10	10	FECE	
COc1cc(N)c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)cc1OC	2106884026	WVGVKLMLVIQHRS-LBPRGKRZSA-N	367.446	2.016	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@]1(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])CCOC1	2218747526	XENPZPSCZVCVCI-BFQNTYOBSA-N	353.423	2.360	10	10	FECE	
Cn1nccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-]	2225791315	CKZLBHSKDBGPBG-WZRBSPASSA-N	363.422	2.334	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2(C(=O)NCC2(CN=[N+]=[N-])CC2)C1	2278990375	VYDIPPZKOYKIKN-SJCJKPOMSA-N	365.434	2.219	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)N1CCC[C@@H]1CN=[N+]=[N-])[C@@H]1CCOC1	2259890344	UKKXZCSBGQRJQG-CHWSQXEVSA-N	353.423	2.314	10	10	FECE	
CC(=O)N(C(C)=O)N1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S	2295494347	SYDOUBZNDWFWBM-UHFFFAOYSA-N	365.392	2.106	10	10	FECE	
CSCC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccncc2)SC1=S	2296882462	VWFQQYPZLQVCJJ-JTQLQIEISA-N	354.478	2.489	10	10	FECE	
COc1ccc(C=C2C(=O)NC(=O)N(C3CCCC3)C2=O)c(OC)c1OC	2297553925	LEOLGDYFNZRPQO-UHFFFAOYSA-N	374.393	2.117	10	10	FECE	
C[C@@H](NC(=O)C=Cc1ccc(N2CCOCC2)cc1)C(=O)N1CCCCC1	2297575749	YPRGYXIJVCYFAD-QGZVFWFLSA-N	371.481	2.054	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N1CCC(CCCN2CCOCC2)CC1	2308081547	LUQWQRMVKJAUPR-UHFFFAOYSA-N	374.481	2.462	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C(=O)O)[C@@H]1c1c(O)cc(O)cc1O	2308895367	IUGWMOARZBUMCP-GVLSTKRJSA-N	351.355	2.186	10	10	FECE	
COCC1CCN(c2cc3c(cc2Br)[C@H](N)C(=O)N3)CC1	118712538	IOMUDYDWJREOJH-AWEZNQCLSA-N	354.248	2.264	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccccc1OCCO	121212714	PBFIZFNGCXANBB-UHFFFAOYSA-N	357.454	2.465	10	10	FECE	
CC1(C)[C@H](NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)[C@@H]2CCO[C@H]21	247355698	ZXSHCYQVBYYEDL-LRBRDUDGSA-N	356.466	2.466	10	10	FECE	
COc1ccc(N2CCN(c3cnnc(NCc4ccco4)n3)CC2)cc1	243727988	PRVFWHYXBAQRLT-UHFFFAOYSA-N	366.425	2.412	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCCN(C)C)C1	436457314	MIJJUFQKNTWRJR-UHFFFAOYSA-N	356.514	2.476	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CC3(CCOCC3)CC[C@H]2CO)c1O	528642829	WSSUKEWFMAIBRE-INIZCTEOSA-N	351.418	2.487	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(-n2ccnc2)ccn1	271342498	UMTHOTHPTADMJA-UHFFFAOYSA-N	363.421	2.034	10	10	FECE	
CCc1cnc(CCNC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)s1	807770834	SOOHRFJEGDCWST-UHFFFAOYSA-N	374.510	2.089	10	10	FECE	
NC(=O)c1csc(C(=O)NCc2cc(Br)ccc2O)c1	804737376	HTQQGHALJLZONV-UHFFFAOYSA-N	355.213	2.245	10	10	FECE	
C[C@@H](CNC(=O)NCc1cc(Br)ccc1O)N(C)C1CC1	805186777	SREDWJWSCBGCTF-JTQLQIEISA-N	356.264	2.437	10	10	FECE	
O=S(=O)(CCO)c1ccc(CNCc2cc(Cl)c(F)cc2O)cc1	294780416	UJIGOIIVRIFDBH-UHFFFAOYSA-N	373.833	2.241	10	10	FECE	
COc1ccc(N2CCN(C(=O)COC(=O)[C@@H]3CC[C@H]4C[C@@H]4C3)CC2)cc1	817204917	XXGBVNBKPLBSFD-GVDBMIGSSA-N	372.465	2.323	10	10	FECE	
C[C@H](NC(=O)c1cn(CC2CC2)nn1)c1ccc(N2CCOCC2)cc1	825421298	QQYNNRXVRZIJFU-AWEZNQCLSA-N	355.442	2.016	10	10	FECE	
Cc1cc(C(=O)CN2CCO[C@@H]([C@@H](C)O)C2)c(C)n1-c1cccc(F)c1	839672593	SFQJJLSJPGBARV-FOIQADDNSA-N	360.429	2.498	10	10	FECE	
C[C@H]1CCCCN1C(=O)CN1CCN(Cc2cc3c(cc2O)CCC3)CC1	913062244	LZDDGDCLGBGQFX-KRWDZBQOSA-N	371.525	2.400	10	10	FECE	
CCc1ccncc1NC(=O)C(=O)N(C)CCN(C)c1ccc(OC)cc1	846099054	VSECWXDQEGBJHO-UHFFFAOYSA-N	370.453	2.186	10	10	FECE	
CC(C)Oc1cncc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1	847504684	GPDBQLSKRUNFHJ-ZDUSSCGKSA-N	371.441	2.146	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)c3cnc(C(C)C)[nH]3)C2)cc1	849415477	AMCJNZMOOTYDDN-ZDUSSCGKSA-N	364.471	2.099	10	10	FECE	
C[C@@H]1CN(Cc2cc(O)n3ncc(C(=O)O)c3n2)CC2(CCCCC2)O1	848712571	NHUZIFZHIVADEQ-GFCCVEGCSA-N	360.414	2.057	10	10	FECE	
O=C1[C@@H]2[C@H]3CCC[C@@H]3CN2C(=O)N1Cc1ccc(N2CCC(O)CC2)cc1	853090118	YGORTXYIYUIWDI-MNEFBYGVSA-N	369.465	2.210	10	10	FECE	
C[C@@]1(Br)C[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1	858724131	KFSYWEJQSDOIJJ-GOEBONIOSA-N	353.260	2.313	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3CCC[C@@](O)(C4CC4)C3)C2)cc1	854187634	OLNZNSWMYPTHOD-IERDGZPVSA-N	373.497	2.468	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCC1SCCS1	850601291	FGOMIWQXGYNVAX-UHFFFAOYSA-N	367.540	2.023	10	10	FECE	
COCC[C@H](NC(=O)Cc1cc(C)n(-c2ccccc2)c1C)C(=O)OC	854532734	BGBYQIXAJIZUBA-SFHVURJKSA-N	358.438	2.331	10	10	FECE	
Cc1ccc(O)c(CNC(=O)[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)c1	869410563	MCQALQBHPMBZLL-IBGZPJMESA-N	364.442	2.343	10	10	FECE	
CC1(C(=O)NCc2ccc(N3CCOCC3)cc2)CCC2(CC1)OCCO2	930522753	IPEWCQHZKZYJQM-UHFFFAOYSA-N	374.481	2.463	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCN3CC(F)(F)C[C@H]3C2)c([N+](=O)[O-])c1	1118185732	ITQPKFWLOKWIGO-DXTPNHAXSA-N	367.352	2.311	10	10	FECE	
COC(=O)C[C@H]1CN(Cc2cc(C)cc(Br)c2O)CCO1	781914015	VZTBFUALYFIWQT-LBPRGKRZSA-N	358.232	2.227	10	10	FECE	
CC[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@H]1CCCOC1	897865836	NJYKZEMXRDTQFR-HFTRVMKXSA-N	361.486	2.251	10	10	FECE	
Cn1cc([C@@H]2[C@@H](C(=O)NCc3ccccc3O)CC(=O)N2C(C)(C)C)cn1	795062124	RGQGHHYEHXLWJL-MAUKXSAKSA-N	370.453	2.130	10	10	FECE	
Cc1cnn(-c2cc(C(=O)NCc3cc(O)ccc3O)c(N)cc2F)c1	1303226323	AZDZUNQYGRSGIC-UHFFFAOYSA-N	356.357	2.243	10	10	FECE	
Cc1cc(=O)oc2c(CN3CCCC3=O)c(O)c(CN3CCCC3=O)cc12	1088706348	PSZKIUCIXUFQRI-UHFFFAOYSA-N	370.405	2.052	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3cccc(O)c3O)C[C@H]2C1	2118159493	GFSYZPANZXKLHJ-QWHCGFSZSA-N	362.426	2.427	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)N2CCC[C@H](N=[N+]=[N-])C2)C1	2124540767	LHRZKHYEIZSRQB-GUYCJALGSA-N	367.450	2.440	10	10	FECE	
CN(C)c1ncccc1/C=C1\OCCn2c1nc(Br)c2C=O	1334011076	SZIOLKPSQNZAGD-WQLSENKSSA-N	363.215	2.447	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1CCC2(CCC2)O1	1338451918	KXGKQTIJNAFJPH-GOSISDBHSA-N	371.481	2.121	10	10	FECE	
COc1ccc(N2CCC(NC(=O)c3cnc4c[nH]nc4c3)CC2)cc1	1546188281	UHNHIKUGTQKXLX-UHFFFAOYSA-N	351.410	2.365	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(F)ccc(O)c1O	1559035892	KSFTWVLYRVXRDJ-MWLCHTKSSA-N	354.378	2.222	10	10	FECE	
COc1ccc(CNCC[C@H]2CCN(C(=O)[C@@]34COC[C@@H]3C4)C2)cc1C	1717084124	IQVHRPAFUUEUFX-MDKPJZGXSA-N	358.482	2.368	10	10	FECE	
CC(=O)N[C@H](CC(=O)NCc1ccc(O)cc1O)c1c(F)cccc1F	1626837936	KOQIHIJJSLHVCN-OAHLLOKOSA-N	364.348	2.260	10	10	FECE	
CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1	1570809495	WWZGNGIGMUSJCX-DGCLKSJQSA-N	350.350	2.212	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNC(=O)c3ccc(O)c(O)c3)C[C@H]21	2140677564	RRDXZAWCZAFXBY-BFHYXJOUSA-N	362.426	2.473	10	10	FECE	
Nc1ccc(OCCN2CCC[C@H](NC(=O)COc3ccccc3)C2)cc1	586060814	MPFFYSPVFCZKJR-SFHVURJKSA-N	369.465	2.307	10	10	FECE	
O=C([C@H]1CCc2nncn2CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	878779903	CTFSNCMZQLVEDK-RDJZCZTQSA-N	370.453	2.144	10	10	FECE	
C[C@@H](N)c1ccc(N2C[C@H]3CCS(=O)(=O)[C@H]3C2)cc1Br	2145071364	GOAHZDRWWLJTIT-RULNRJAQSA-N	359.289	2.092	10	10	FECE	
Nc1ccc(CN2C[C@H]3[C@@H]4CC[C@@H](CN4C(=O)C(F)(F)F)[C@H]3C2)cc1	1345159846	OEYULFANUVLZGR-XZDPQHSOSA-N	353.388	2.500	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@H](NS(=O)(=O)Cc2ccc(N)cc2)C1	2044238434	ICMYMABKBNPJAU-HNNXBMFYSA-N	369.487	2.088	10	10	FECE	
CN(C)c1ccc([C@H](O)c2cn(C)nc2I)cc1	2044716715	ALKSFDICSABHJW-LBPRGKRZSA-N	357.195	2.172	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O	2060453026	WIESFADWFPLITL-YWPYICTPSA-N	352.431	2.186	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C1	2060633011	ITUNUCHGXWAYLJ-MLGOLLRUSA-N	353.423	2.050	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](CC(=O)N2CC[C@H](N=[N+]=[N-])C2)C1	2067632990	CHYWTVQUHJHZCV-FRRDWIJNSA-N	353.423	2.360	10	10	FECE	
C[C@H](NS(=O)(=O)Cc1ccc(N)cc1)C(C)(C)NC(=O)OC(C)(C)C	2076541210	CBGKHHPGJSVPLN-LBPRGKRZSA-N	371.503	2.380	10	10	FECE	
O=C(O)[C@@]1(CO)CCN(Cc2cc(Cl)cc(Br)c2O)C1	2201081989	LTHWRBPEGCICJZ-ZDUSSCGKSA-N	364.623	2.077	10	10	FECE	
O=S1(=O)C[C@H]2CCC[C@@]2(NCc2ccc(Br)cc2O)C1	2201885717	UYDQRYZRTJBQRF-BXUZGUMPSA-N	360.273	2.212	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)CCOc2ccc(N)cc2)C1	2106226311	DSCHLZLVQNKZQJ-CTYIDZIISA-N	363.458	2.457	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](CNCc2ccc(O)c(O)c2)C[C@@H]2COC[C@H]21	2097568313	UJCIYOQFGMKTSY-QLFBSQMISA-N	364.442	2.212	10	10	FECE	
O=S1(=O)C[C@@H]2CCC[C@]2(NCc2c(O)cccc2Br)C1	2201871984	KFBLRVITYPXBIO-HZMBPMFUSA-N	360.273	2.212	10	10	FECE	
C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@@H]1CCCN1C(=O)OC(C)(C)C	2271377463	FWPSVWPPIRVBGF-PWSUYJOCSA-N	366.414	2.321	10	10	FECE	
CCN1C(=O)C(=Cc2ccc(OCC(=O)O)c(OC)c2)SC1=S	2297303004	DUAWSFPBSIPYGT-UHFFFAOYSA-N	353.421	2.380	10	10	FECE	
CCOC(=O)CN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S	2297465507	PVJKPIPVLGXEPO-UHFFFAOYSA-N	352.393	2.359	10	10	FECE	
CCOc1cc(C=C2SC(=S)NC2=O)ccc1O[C@H](C)C(=O)O	2314934976	LOMLYVMLWBJSLP-MRVPVSSYSA-N	353.421	2.426	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1OC	2315988485	JDYVVOWNZDAQEE-OLZOCXBDSA-N	355.439	2.417	10	10	FECE	
C[C@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(O)c(O)cc2C1	2341198241	WKGRVCXFPOHGMZ-JEOXALJRSA-N	362.426	2.286	10	10	FECE	
CCc1ccc(N2C(=O)/C(=C/Nc3cccnc3)C(=O)NC2=S)cc1	9265464	UENRWLXJUWVIOB-RVDMUPIBSA-N	352.419	2.388	10	10	FECE	
COc1ccc(N2CCN(c3nc(C(F)(F)F)cc(=O)[nH]3)CC2)cc1	57342474	LCTRCGBKMASLPB-UHFFFAOYSA-N	354.332	2.124	10	10	FECE	
CN[C@@H]1C(=O)Nc2cc(N3CCOCC3(C)C)c(Br)cc21	118711923	IJTAUBZBPWPKHK-ZDUSSCGKSA-N	354.248	2.277	10	10	FECE	
COc1ccc(N(C)CC(=O)NCc2ccccc2[N+](=O)[O-])c(OC)c1	179004876	VOFAIQXMTIKLEP-UHFFFAOYSA-N	359.382	2.365	10	10	FECE	
Oc1c(Br)cccc1CN1CCO[C@@H](Cn2cccn2)C1	122257284	MROOLMGRXDGDHT-CYBMUJFWSA-N	352.232	2.252	10	10	FECE	
CCOC(=O)c1cn(C)nc1NC(=O)NCc1ccc(N2CC=CC2)cc1	184006752	VBODSEDDERXKRE-UHFFFAOYSA-N	369.425	2.295	10	10	FECE	
COc1cc(C2(C(=O)O)CC(NC(=O)OC(C)(C)C)C2)cc(O)c1O	1952713143	PBJIPOXJCCKAEK-UHFFFAOYSA-N	353.371	2.116	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)NCCCOC1CCOCC1	255835938	DFAORKOOWYPVES-DAXSKMNVSA-N	374.481	2.238	10	10	FECE	
COc1cc(N2CCN(Cc3nc(C)ccc3O)CC2)cc(OC)c1OC	273715564	GZVXHKKNUXIPKD-UHFFFAOYSA-N	373.453	2.444	10	10	FECE	
CCOc1ccc(O)c(CN2CCN([C@H](C(N)=O)c3ccccc3)CC2)c1	289668720	DIVCRYBNIWQJRO-FQEVSTJZSA-N	369.465	2.135	10	10	FECE	
COc1ccc(N2CCN(CCNC[C@H](O)c3ccc(F)cc3)CC2)cc1	818981985	BQBZBQJITSOMII-NRFANRHFSA-N	373.472	2.280	10	10	FECE	
CN(C)c1ccc([C@H](N)CN[C@H](c2ccc(F)cc2)c2cnn[nH]2)cc1	817943338	UOHDRDMLKPPHPI-IEBWSBKVSA-N	354.433	2.389	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC[C@@H]2CCCCN21	900269306	MQSTXSUBBMWDIG-LPHOPBHVSA-N	361.461	2.295	10	10	FECE	
C[C@H](CN(C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)C(=O)OC(C)(C)C	842043699	OQWVLCFUKHGYAK-SNVBAGLBSA-N	365.386	2.340	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)Nc2ccn(C)n2)cc1	843450645	NWQGRSMKRZJTKH-UHFFFAOYSA-N	351.410	2.196	10	10	FECE	
Fc1cc(CNC[C@@H]2CCN2C2CCOCC2)ccc1N1CCOCC1	922950506	MGDQPSGOFPJHKG-SFHVURJKSA-N	363.477	2.005	10	10	FECE	
Nc1ccc(Cc2nc(C(=O)NC[C@@H]3CN(C4CC4)C(=O)O3)cs2)cc1	848442179	AVJCMOSZCFSWEV-CQSZACIVSA-N	372.450	2.029	10	10	FECE	
CNC(=O)c1ccc(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1	854240427	SQMUZZWIWFFXDF-INIZCTEOSA-N	368.437	2.455	10	10	FECE	
COC(=O)Cc1occ(C)c1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	855226727	QVUJWPRMBDEWKP-CQSZACIVSA-N	372.421	2.321	10	10	FECE	
CN(C)c1ccc(/C=C/CNCCS(=O)(=O)CC(F)(F)F)cc1	850365525	JPCMTMHVDGGKOA-ONEGZZNKSA-N	350.406	2.333	10	10	FECE	
C[C@H](CSCCF)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	850435470	OFCSWGWEJHZMPM-CQSZACIVSA-N	360.520	2.102	10	10	FECE	
CCc1ncsc1NC(=O)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	850537210	OFPXKGABAKQVFD-GFCCVEGCSA-N	374.466	2.048	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3cc(C)cc(C)n3)C2)cc1	850536856	KJJNYYQWYIGOMS-HNNXBMFYSA-N	368.437	2.041	10	10	FECE	
C[C@@H](NCc1c2c(nn1C)CCOC2)c1ccc(N2CCOCC2)cc1	921590801	DMNGQDKDLDPOMB-OAHLLOKOSA-N	356.470	2.180	10	10	FECE	
COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1cc(F)cc(F)c1O	753014710	CRASIDKAPJZBAW-UHFFFAOYSA-N	372.349	2.438	10	10	FECE	
CCCC(=O)NCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	751403003	AZPMONYBCSPIKP-SFHVURJKSA-N	361.486	2.177	10	10	FECE	
C[C@H]1Oc2ccc(NS(=O)(=O)c3cc(F)cc(F)c3O)cc2NC1=O	753022697	ZVFCGBMHTPYBJD-SSDOTTSWSA-N	370.333	2.191	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NOC[C@H]2CCOC2)C1	768238992	JBIQIILWTBDXJM-INIZCTEOSA-N	371.481	2.492	10	10	FECE	
COC(=O)[C@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)c2ccccc21	768464605	CWJAUQRXKSFZFZ-KSSFIOAISA-N	355.390	2.485	10	10	FECE	
Cc1ncc(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)[nH]1	768913199	IFQZZDWQIHSYDV-UHFFFAOYSA-N	353.470	2.180	10	10	FECE	
C[C@H](NC(=O)C(=O)Nc1ccc(N(C)C)nc1)c1ccc(N(C)C)cc1	773846762	OHNVFAZTWHRAEV-ZDUSSCGKSA-N	355.442	2.030	10	10	FECE	
CNC(=O)Cc1nc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)cs1	775256264	WEHIGUMTZKVKTF-CQSZACIVSA-N	374.510	2.119	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\c1ccc(C)nc1	1116646485	ILSXJIKYIGHGRP-GQSKFBFOSA-N	370.405	2.105	10	10	FECE	
COC(=O)[C@H](NCc1cc(Br)cc(C)c1O)c1ccn(C)n1	787438623	RJQUZALDYXEEKM-CYBMUJFWSA-N	368.231	2.201	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2nccn2c1	784027783	MQWFOEGCUMMSJP-UHFFFAOYSA-N	352.394	2.417	10	10	FECE	
CN(Cc1cc(Br)cc(F)c1O)C1CCS(=O)(=O)CC1	715804946	SWULDBSCTNEJLR-UHFFFAOYSA-N	366.252	2.303	10	10	FECE	
COc1ccc(CNC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)c(O)c1	794369160	CZEBREKSASRHQX-INIZCTEOSA-N	372.446	2.232	10	10	FECE	
Cc1nn(C)c(C)c1N/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	1084032965	XLZSGXZUCNYORC-MDWZMJQESA-N	373.800	2.269	10	10	FECE	
CCc1c(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cnn1CC	1167762141	HQZTYMNAKHRHGL-UHFFFAOYSA-N	356.470	2.357	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)CC1	2124543783	WHIKZHRBVKUPJL-AWEZNQCLSA-N	366.466	2.088	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N[C@H]1C[C@@]2(CCOC2)Oc2ccccc21	1181749017	XTGKTSLMNGIKFR-MGPUTAFESA-N	355.390	2.439	10	10	FECE	
Cc1cnc(CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c(C)c1	1332901818	HSYJFXJUIOPXKV-UHFFFAOYSA-N	364.449	2.007	10	10	FECE	
O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1	2132404486	SFNOONYULJBXCQ-HOCLYGCPSA-N	354.406	2.150	10	10	FECE	
CN(C(=O)/C=C\c1ccc(O)c(O)c1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12	1350992818	RVGCYSVGLLSRND-JFDUVMPXSA-N	374.437	2.435	10	10	FECE	
CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1	1293692229	UWVNSBPIMRWJIJ-WDEREUQCSA-N	369.464	2.398	10	10	FECE	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cnncc1O	1546185069	GIXRJXLEGCXAOL-UHFFFAOYSA-N	364.352	2.182	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1ccc(CS(=O)(=O)C(F)F)cc1	1637125871	FRCACEVNZOHVMP-UHFFFAOYSA-N	371.361	2.165	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]([C@H](F)C(=O)NCc2c(O)cccc2O)C1	1558535837	QCOVADFJASUISB-ABAIWWIYSA-N	368.405	2.309	10	10	FECE	
O=C(CCn1sc2ccccc2c1=O)NCCc1ccc(O)c(O)c1	1631516969	QHFWNMBIWTXKIL-UHFFFAOYSA-N	358.419	2.223	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)NCc2cn(C)c(=O)nc2O)c1C	1650689058	GMJOHLWEAPRIMK-UHFFFAOYSA-N	366.421	2.132	10	10	FECE	
O=C(NCc1cccc(Br)c1O)N[C@H]1CCC2(C1)OCCO2	1679548445	YROZUNCIMWLNCB-NSHDSACASA-N	371.231	2.250	10	10	FECE	
COCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)C(C(=O)OC)=C1C	5824179	FATGUIBKMGYPLG-NTEUORMPSA-N	359.378	2.124	10	10	FECE	
O=C(O)C(=C\c1ccc(O)c(O)c1)/C(=C/c1ccc(O)c(O)c1)C(=O)O	13475482	GCLKVDNBAFNKAL-CBIKUMSCSA-N	358.302	2.145	10	10	FECE	
Cc1ccc(O)c(CNCCC(=O)Nc2ccc3c(c2)OCC(=O)N3C)c1	1860713527	FKVJZUAJQGGSEF-UHFFFAOYSA-N	369.421	2.174	10	10	FECE	
CCOC(=O)c1cc(C)sc1NC(=O)CCN1C(=O)CSC1=S	1865768927	YCJHYQSTZQYWGG-UHFFFAOYSA-N	372.493	2.422	10	10	FECE	
C[C@H](NC(=O)[C@H]1CCOC[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O	1877573384	KHUZZDGWNREHCN-AEGPPILISA-N	364.442	2.499	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NC(=O)Cc2ccc(N)cc2)C1	2044644436	OXTZEAPVDVMCGA-PWECECGKSA-N	367.471	2.103	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1	2049781060	PWRWYNHSWAOREU-SRVKXCTJSA-N	360.401	2.144	10	10	FECE	
CN(CCCCN=[N+]=[N-])CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1	2054254325	ZLGSYVSXTSMVBO-UHFFFAOYSA-N	354.455	2.088	10	10	FECE	
CC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	2060401778	NDHHKEYDILWQBZ-SFHVURJKSA-N	352.431	2.450	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)Nc3ccc(N)cc3)[C@@H]2C1	2106695397	XMTGFDLSCMQTLO-CABCVRRESA-N	362.430	2.121	10	10	FECE	
C[C@@H](CCNC(=O)OC(C)(C)C)N(C)C[C@H](O)COc1ccc(N)cc1	2106760916	STUOHDLKKHSRSF-HOCLYGCPSA-N	367.490	2.244	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)COc2ccc(N)cc2)C1	2106777204	QIRWTNOWTHTSIR-IBGZPJMESA-N	363.458	2.411	10	10	FECE	
CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(CCC(=O)Nc1ccc(N)cc1)C2	2106765724	LGZZTHRJBQQSAX-DJJJIMSYSA-N	360.458	2.196	10	10	FECE	
CN[C@@H](c1ccc(N(C)C)cc1)[C@](O)(CF)CNC(=O)OC(C)(C)C	2254002639	JYKQERXHAMQVPR-YJBOKZPZSA-N	355.454	2.238	10	10	FECE	
COc1cc(C=C2C(=O)NN(c3ccc(F)cc3)C2=O)cc(OC)c1O	2296412449	YGUGABHARSUMMV-UHFFFAOYSA-N	358.325	2.010	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1CCC[C@H](NC(=O)C(F)(F)F)CC1	2286102998	CSIIPPPCFXCBNI-AAEUAGOBSA-N	372.391	2.129	10	10	FECE	
C[C@H](O)[C@H](C(=O)O)N1C(=O)C(=Cc2ccccc2Cl)SC1=S	2323823655	CRTAVEAAMOKAPT-WRWORJQWSA-N	357.840	2.375	10	10	FECE	
CCOC(=O)CN1C(=O)/C(=C2\C(=O)Nc3ccc(C)cc32)SC1=S	1810132	UTKKZRQJMHRGKB-OUKQBFOZSA-N	362.432	2.082	10	10	FECE	
Cc1ccc(N2C(=O)/C(=C/N3CCOCC3)SC2=S)cc1[N+](=O)[O-]	59397199	SQRCJBWGBIRQIY-LCYFTJDESA-N	365.436	2.442	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCN(C(=O)C2CCCCC2)C1	181200217	FUTAIYPYZHWQGJ-MNDMWVCDSA-N	358.438	2.408	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@H]1CCNC(=O)C1	1952346500	MOJLBPMVNCBMCI-QWHCGFSZSA-N	350.415	2.060	10	10	FECE	
O=C(NCc1ccc(Cn2ccccc2=O)cc1)c1cccc(O)c1O	187010159	VLYQYTNIKISHPK-UHFFFAOYSA-N	350.374	2.238	10	10	FECE	
CCc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(N3CCOCC3)cc1)CC2	180608831	WSHZNNDNOBCRPS-RDJZCZTQSA-N	355.486	2.343	10	10	FECE	
COC(=O)[C@@H](NCCN=[N+]=[N-])c1cc(Br)c2c(c1)OCO2	90257060	NLGZRAQRIJSKLJ-JTQLQIEISA-N	357.164	2.292	10	10	FECE	
CCOc1ccc(O)c(CN(CC(=O)N2CCCC2)C[C@@H]2CCCO2)c1	93667365	MXGBLXKOYARJKQ-SFHVURJKSA-N	362.470	2.394	10	10	FECE	
COC(=O)c1ccc(C(=O)OC)c(NC(=S)NCc2cc(C)ccn2)c1	242553235	CCFIZYJKVGNUIZ-UHFFFAOYSA-N	373.434	2.450	10	10	FECE	
CCCCOC(=O)[C@H](C)NC(=O)/C=C\c1ccc(N2CCOCC2)cc1	255266910	BYYWCVKSLKHMLX-BJIFSAINSA-N	360.454	2.384	10	10	FECE	
COc1ccc(N2CCN(c3ccc4nnc(C(F)F)n4n3)CC2)cc1	269048834	GKLAQTRXIDBKBY-UHFFFAOYSA-N	360.368	2.397	10	10	FECE	
CN(C)C(=O)CCN1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1	271198922	VSIZOPHJJOGUCV-UHFFFAOYSA-N	360.285	2.295	10	10	FECE	
CCOc1ccc(O)c(CN2C[C@H](C(=O)NCCOC)CC[C@H]2C)c1	271115796	BOVLQJNXONOCGB-HUUCEWRRSA-N	350.459	2.154	10	10	FECE	
Cc1ccn2ncc(C(=O)NCc3cc(Br)ccc3O)c2n1	804739413	FSVDCZZGJOEQAS-UHFFFAOYSA-N	361.199	2.436	10	10	FECE	
CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)OCC(=O)C(C)=O	808515124	AZIAFVCNBFFBMS-GFCCVEGCSA-N	372.464	2.052	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N1CCO[C@@H](C(F)F)C1	588619969	JWYWJJUOIBCSQK-QQNRWZHASA-N	352.381	2.029	10	10	FECE	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CC2(C1)CC2(F)F	847384340	JRZKPGKOYTVRBN-UHFFFAOYSA-N	373.350	2.352	10	10	FECE	
COC/C(C)=C\C(=O)NCc1cc(NC(=O)/C=C(/C)COC)ccc1O	923118098	GISQJRGSOMVJTF-PVRNWPCDSA-N	362.426	2.132	10	10	FECE	
Cc1cc(C(=O)N[C@H]2CC[C@H](C)S(=O)(=O)C2)c(C)n1-c1ccccn1	855700421	OQKKUTBQJWXSPV-ZFWWWQNUSA-N	361.467	2.185	10	10	FECE	
C[C@H](C(=O)NCc1c(O)cccc1F)[C@H](O)CN(C)C(=O)OC(C)(C)C	928711222	KYSBSZBTEPQJNV-XHDPSFHLSA-N	370.421	2.011	10	10	FECE	
COc1ccc(CNC(=O)NCc2ccc(CNC(C)=O)cc2)c(O)c1	852441379	AMHXDDXVYJGTSG-UHFFFAOYSA-N	357.410	2.036	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](CO)c3ccccc3)C2)cc1	854298944	CEYNJNFLRGQPEJ-QZTJIDSGSA-N	369.465	2.349	10	10	FECE	
COC[C@H](CCNC(=O)NCc1ccc(N2CCSCC2)cc1)OC	851990975	AVPFTEMWNNBPCE-KRWDZBQOSA-N	367.515	2.091	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCc4c[nH]nc43)C2)cc1	852453124	GJPOVQUESDFLMD-YOEHRIQHSA-N	355.442	2.374	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CNC[C@@]3(C)C[C@@H]4C[C@@H]4C3)CC2)cc1	863581971	IKUVLPSLZDSILW-BAYUQKDNSA-N	373.541	2.204	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3c4c(nn3C)CCCC4)CC2)cc1	764526523	ANTOQJKAJGUYKP-UHFFFAOYSA-N	354.454	2.270	10	10	FECE	
C[C@@H]1O[C@H](C)C[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	866213401	QOXYMAZATZJISC-DVOMOZLQSA-N	350.434	2.217	10	10	FECE	
Cc1cc(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)c(C)n1-c1ccccn1	863837534	SLJFZDGFSNJFKU-QGZVFWFLSA-N	352.438	2.372	10	10	FECE	
Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)NCc1ccc(N(C)C)cc1	772422320	FHSLGAIRWTVKMY-SFHVURJKSA-N	371.485	2.386	10	10	FECE	
CNC(=O)c1ccc(OC)c(NC(=O)c2ccc(N=NC(N)=O)cc2)c1	1136277334	HYXLVUFTPGRCQL-UHFFFAOYSA-N	355.354	2.470	10	10	FECE	
O=C(COc1ccsc1)NCc1ccc(N2CCOCC2)c(F)c1	799906358	NXSTXZNGOUASPA-UHFFFAOYSA-N	350.415	2.419	10	10	FECE	
CN1CCc2cc([C@H](N)[C@@]3(O)CC[C@H]3CNC(=O)OC(C)(C)C)ccc21	2117892972	SDZUSHIWCHVYBQ-RIFZZMRRSA-N	361.486	2.345	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N1CC[C@]12CCOC2	1328829337	RXYHSXNSFYTWAY-OAQYLSRUSA-N	371.481	2.027	10	10	FECE	
COC[C@@H](O)CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	1354456298	OUCIKXCXJJQKKQ-INIZCTEOSA-N	356.382	2.164	10	10	FECE	
CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	1527058264	UUDAMDNIFWWXPA-GOSISDBHSA-N	362.385	2.411	10	10	FECE	
O=C(NCc1ccc(O)cc1O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	1469158882	GQOVBRNMWNCWNB-LBPRGKRZSA-N	360.797	2.421	10	10	FECE	
CN[C@H](c1ccccc1O)[C@@]1(O)[C@H](NC(=O)OC(C)(C)C)COC1(C)C	2136989593	XNFTZJQRFCOULX-CLCXKQKWSA-N	366.458	2.086	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnc4ccccn34)CC2)cc1F	1622564131	QQCALIRFPFQQFK-UHFFFAOYSA-N	354.385	2.444	10	10	FECE	
CCOCc1nnc(N(C)Cc2ccccc2O)n1CCc1ccn(C)n1	1710648640	RRVVCLFPHYNHLW-UHFFFAOYSA-N	370.457	2.133	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1cnn2c(-c3cccnc3)ccnc12	1638356767	NUKSMRQRMBVURL-UHFFFAOYSA-N	361.361	2.133	10	10	FECE	
CCO[C@H]1C[C@H](NC(=O)N2CCN(c3ccc(OC)cc3OC)CC2)C1	1636729604	CTGHLHNOVSJFQY-KOMQPUFPSA-N	363.458	2.103	10	10	FECE	
Cc1nn(C)c(C)c1[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(F)(F)F	1630408842	ZSHNKFAKCJUZRR-HNNXBMFYSA-N	357.332	2.410	10	10	FECE	
CC(C)[C@H](C(=O)NCc1cc(O)ccc1O)N1C(=O)c2ccccc2C1=O	1644752380	CYXRYNDVNSKEJD-QGZVFWFLSA-N	368.389	2.035	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H]2OCC[C@@H]2CNC(=O)OC(C)(C)C)c1O	2139743443	KVNTVUWRYRPZSU-GDBMZVCRSA-N	364.442	2.247	10	10	FECE	
C[C@@H](NCC1(N(C)C)CCOCC1)c1ccc(N2CCC(O)CC2)cc1	168260785	JLTUHCKSGBOPKY-QGZVFWFLSA-N	361.530	2.409	10	10	FECE	
CCc1nc2n(n1)C[C@@H](NC(=O)NCCCSc1nccs1)CC2	153614085	GICBMBSKJURYCQ-NSHDSACASA-N	366.516	2.093	10	10	FECE	
C[C@H](O)c1ccc(N2CC[C@H]3CS(=O)(=O)C[C@H]32)c(Br)c1	2151274888	UZIVHEMSEDDNKV-NURSFMCSSA-N	360.273	2.126	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NC(=O)c1ccn(-c2ccc(N)cc2)n1	2179364304	ZLLCPIBLAYETFE-LRDDRELGSA-N	371.441	2.098	10	10	FECE	
CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C1	2060619013	HFZSNCLLJNCWHB-LBPRGKRZSA-N	353.423	2.050	10	10	FECE	
COc1ccc([C@H](C)NCCC2(O)CN(C(=O)OC(C)(C)C)C2)c(O)c1	2087529603	CLMPSRYPTVIXGI-ZDUSSCGKSA-N	366.458	2.423	10	10	FECE	
CC(C)(C)OC(=O)NCCOCCOCCC(=O)NCCCCN=[N+]=[N-]	2268182338	LULLEJRPZDTRTG-UHFFFAOYSA-N	373.454	2.141	10	10	FECE	
Cc1c(O)cccc1C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1	179607252	YIGGJJBGKSKDGD-UHFFFAOYSA-N	360.435	2.188	10	10	FECE	
Cc1cc(C(=O)CN2CCN(CCO)[C@H](C)C2)c(C)n1-c1ccc(F)cc1	187661151	AEFWOTPNWWUAEE-MRXNPFEDSA-N	373.472	2.414	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)NCC(F)F	94001504	WHEGDQVXNALZHR-UHFFFAOYSA-N	352.429	2.283	10	10	FECE	
C[C@H](CO)[C@H](C)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92283922	UJGQWMXBZQYXKZ-SJORKVTESA-N	374.529	2.035	10	10	FECE	
COc1ccc([C@H]2[C@H](C(=O)NCCc3ccc(N)cc3)CC(=O)N2C)cc1	237383734	OZNJNMILWJMUFG-QUCCMNQESA-N	367.449	2.156	10	10	FECE	
Cc1cc(C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c(C)n1-c1ccccn1	246801935	RGPHBFODYNAFQB-CVEARBPZSA-N	356.470	2.016	10	10	FECE	
COc1ccc(N2CCN(C(=O)CC(=O)Nc3ccccc3)CC2)cc1	253435699	OZWCAPLCYQFYRD-UHFFFAOYSA-N	353.422	2.373	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl	808501568	LPUUENIOUTVPIS-CYBMUJFWSA-N	372.204	2.299	10	10	FECE	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1cc(Br)ccc1O	805035761	PMULHWYJSZOCEP-UWVGGRQHSA-N	372.263	2.257	10	10	FECE	
CC(=O)C(=O)COC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1	808514230	XAVMSJLAYUUQJZ-UHFFFAOYSA-N	356.165	2.197	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)Cc2cn3c(n2)CCCC3)cc1	846444901	HKOLIOCUDPIBCW-UHFFFAOYSA-N	356.470	2.365	10	10	FECE	
CC[C@@H]1Cc2ccccc2CN1Cc1cc(O)n2ncc(C(=O)O)c2n1	846251355	HKFHUQXLLOJOCL-OAHLLOKOSA-N	352.394	2.470	10	10	FECE	
CC(C)(C)OC(=O)C1(C(=O)NCc2c(O)cccc2F)CCOCC1	928709911	NSAJPSXJWQDNLM-UHFFFAOYSA-N	353.390	2.286	10	10	FECE	
CO[C@@H](C(=O)Nc1c(-c2ccccn2)nc2ccccn12)[C@H]1CCOC1	854513455	JZKAHZWJGYJNLT-SUMWQHHRSA-N	352.394	2.386	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC[C@H]1CCCOC1	859277525	VSEVJAADQZRBKB-QGZVFWFLSA-N	361.486	2.034	10	10	FECE	
C[C@@H]1O[C@H](C)[C@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@@H]1C	858154624	NHZZOKUNAJEMQG-KYZVSKTDSA-N	365.449	2.273	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCc2nnn(C)c2C1	927858755	TYEKFXMKZCNADC-HNNXBMFYSA-N	357.458	2.390	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc4c(c3)NC(=O)CO4)C2)cc1	855230803	YNCVXABNWZPQIO-AWEZNQCLSA-N	367.405	2.035	10	10	FECE	
COc1ccc(N2CC[C@H](Nc3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)cc1	853760617	LIKHXOQSGAAUQI-ZDUSSCGKSA-N	356.382	2.393	10	10	FECE	
C[C@H](NC(=O)[C@H]1CC=CC[C@H]1C(=O)O)c1ccc(N2CCOCC2)cc1	920866478	CXOUXAQXVBHHBX-JCGIZDLHSA-N	358.438	2.367	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(N2CCC2)nc1	856207530	IDWQLIUZLIGCKX-UHFFFAOYSA-N	366.465	2.183	10	10	FECE	
COc1ccc(F)c(NC(=O)C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1	756177590	GNKDGUYZPFTYFH-JTQLQIEISA-N	362.357	2.364	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H]4[C@@H](CCN4C)C3)C2)cc1	868762573	QFNDLSYGWVXXIB-BXWFABGCSA-N	358.486	2.010	10	10	FECE	
CN(Cc1ccc2c(c1)OCCO2)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	761874200	OWNNNUHZICUSDE-UHFFFAOYSA-N	371.349	2.333	10	10	FECE	
CCOC(=O)C1(CC(=O)NCc2ccc(N(C)C)cc2C)CCOCC1	865904683	QDDCQGDSPVMRIE-UHFFFAOYSA-N	362.470	2.427	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2	762268547	JZZDSSVQPXHNSK-HUUCEWRRSA-N	355.390	2.331	10	10	FECE	
COc1ccc(N2CC[C@H](CNS(=O)(=O)CCOC(C)(C)C)C2)cc1	867429487	ZHJRBIXDUOUYRM-OAHLLOKOSA-N	370.515	2.256	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)N1Cc2cccc(O)c2C1	871205653	JEVJBMRTNQHEDT-CJNGLKHVSA-N	362.426	2.164	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCCCNC(N)=O)C1	774091035	BDQMBINWJWAQLQ-UHFFFAOYSA-N	372.469	2.009	10	10	FECE	
CCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(O)c(OC)c1	797820254	NPMBGLWVGOEQBO-UHFFFAOYSA-N	351.380	2.462	10	10	FECE	
CCN(CCS(C)(=O)=O)c1ccc([C@@H](C)O)c(Br)c1	688509821	UOTDSPWXBFAQJG-SNVBAGLBSA-N	350.278	2.373	10	10	FECE	
COC(=O)[C@@H](CS(=O)(=O)Nc1ccc(O)c(OC)c1)c1ccccc1	795363234	VUSNDPKHKLGTIW-AWEZNQCLSA-N	365.407	2.099	10	10	FECE	
C[C@H](C(=O)NCC1(CN=[N+]=[N-])CC1)N1CCN(C(=O)OC(C)(C)C)CC1	2124513963	RXMGEBMLRAGFTM-CYBMUJFWSA-N	366.466	2.134	10	10	FECE	
CN(C)CCSc1nc(CC(=O)NCc2c(O)cccc2O)cs1	1178916954	FLPFAOOTAQRFDH-UHFFFAOYSA-N	367.496	2.067	10	10	FECE	
CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)C(=O)N1Cc2cccc(O)c2C1	1329496043	XKHUYODNSREEFO-ZDUSSCGKSA-N	356.344	2.424	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)C3(n4cccn4)CC3)cc2F)C[C@@H](C)O1	1334178199	ZFAMIZCQXDNGSM-HUUCEWRRSA-N	372.444	2.441	10	10	FECE	
COc1ccc(CN[C@@H](Cc2cncs2)C(=O)O)cc1Cn1cccn1	1330066764	RUALVIPBXGBHBX-INIZCTEOSA-N	372.450	2.182	10	10	FECE	
CC(C)(C)OC(=O)NC1(CCNC(=O)c2cc(O)c(O)c(O)c2)CCC1	2132406093	FEOPTZDWFUOEML-UHFFFAOYSA-N	366.414	2.371	10	10	FECE	
C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	1262110615	IZCINODOFSEGDH-MAAHGYRXSA-N	355.482	2.297	10	10	FECE	
COC[C@@]1(C)CN(c2nnc(-c3sccc3O)n2CC2CC2)CCO1	1345201450	IJZYIONFCCFXHT-QGZVFWFLSA-N	364.471	2.364	10	10	FECE	
Cc1cc(NCc2cccc(Br)c2O)nc(S(C)(=O)=O)n1	1612342779	HUKILAUNJHFUSV-UHFFFAOYSA-N	372.244	2.269	10	10	FECE	
CS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc3cccnc3c2O)c1	1557122796	JHQKXXRWIDMMOR-UHFFFAOYSA-N	374.393	2.413	10	10	FECE	
Cc1ccc(-c2nnc(S)n2CC(=O)NCc2cc(O)ccc2O)cc1	1558174548	NSLYFBCFETZKQZ-UHFFFAOYSA-N	370.434	2.270	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)NCc2ccc(O)cc2O)C1(F)F	1643104389	WWAQNLYKKJITQU-DGCLKSJQSA-N	372.368	2.120	10	10	FECE	
CCc1nnc(N2CCC(CO)CC2)n1Cc1ccc(N(C)C)c(F)c1	1762982759	NTDFARFVLXFORI-UHFFFAOYSA-N	361.465	2.303	10	10	FECE	
CC(C)[C@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCO1	1685681958	OKXHBIUODVKIIO-RBUKOAKNSA-N	362.518	2.422	10	10	FECE	
C[C@H](c1cc(Br)ccc1O)N1C[C@H]2CCS(=O)(=O)[C@H]2C1	2145072852	VASOITXIUCEOIR-RULNRJAQSA-N	360.273	2.335	10	10	FECE	
O=C(N[C@H]1CN(Cc2ccccc2)[C@]2(CCOC2)C1)c1ccc(O)c(O)c1	2154516407	CRSMUSRWOADERP-DYESRHJHSA-N	368.433	2.261	10	10	FECE	
C[C@H](N[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)OC(C)(C)C)c1ccc(O)cc1O	311291072	AZMWUFUFUCPWFZ-AMVRHWPSSA-N	364.442	2.429	10	10	FECE	
O=C(O)C[C@]1(O)CCN(Cc2cc(Cl)cc(Br)c2O)C1	2160855355	YTOPNFBOXRCAOE-CYBMUJFWSA-N	364.623	2.220	10	10	FECE	
CN[C@H]1C(=O)Nc2cc(N3CC(CSC)C3)c(Br)cc21	2161137614	IVMBZKPEFJSXHP-CYBMUJFWSA-N	356.289	2.461	10	10	FECE	
Nc1ccc(NC(=O)CN2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1	705885234	ADOSROUCLXETSH-HDICACEKSA-N	350.466	2.271	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(N(CCCCN=[N+]=[N-])CC(N)=O)CC1	2054253325	OJVCSGFZSDJRMA-UHFFFAOYSA-N	354.455	2.264	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2060632878	GZEAGXODTVWIMG-QWHCGFSZSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C[C@H]1CCCO1)C(=O)N1CC[C@@H](N=[N+]=[N-])C1	2060636767	BIKBTAWZBAUPFP-JHJVBQTASA-N	353.423	2.360	10	10	FECE	
CC1(CNC(=O)COc2ccc(N)cc2)CC(NC(=O)OC(C)(C)C)C1	2106255317	KEPSUVDFAUTGRV-UHFFFAOYSA-N	363.458	2.457	10	10	FECE	
CO[C@H]1[C@H](CNc2ccc(N)cc2)N(C(=O)OC(C)(C)C)C[C@H]1OC	2253666617	HMFAVALCFYEWPL-XHSDSOJGSA-N	351.447	2.330	10	10	FECE	
O=C(O)CN1C(=O)C(=Cc2ccc3c(c2)OC(F)(F)O3)SC1=S	2294821375	PKNOEMWYMZBJDD-UHFFFAOYSA-N	359.331	2.294	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)C=Cc2ccc(N3CCOCC3)cc2)CN1C1CC1	2298049923	XZFZZLIGSSMNID-AEFFLSMTSA-N	355.482	2.278	10	10	FECE	
CN(C)c1ccc(C=c2sc3nc(Cc4cccs4)nn3c2=O)cc1	2326149355	BLVDPODDTUFJNW-UHFFFAOYSA-N	368.487	2.417	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)N[C@H]3CCC[C@@H]3N=[N+]=[N-])CO[C@H]1C2	2334200682	UPPSFSUWGGUPDF-QHRNJGFCSA-N	365.434	2.406	10	10	FECE	
CCOc1ccc([C@@H]2CC(=O)NC(NC(=O)c3cccc(OC)c3)=N2)cc1	20530852	XKHGQTZBFYBKSZ-KRWDZBQOSA-N	367.405	2.441	10	10	FECE	
Cc1nn(Cc2ccc(N(C)C)cc2)c(N)c1I	43668815	PHUOGIPMOLOBFS-UHFFFAOYSA-N	356.211	2.493	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)NCc3sccc3C)C2)cc1	826845568	KGVGOVHKPXAMAU-CQSZACIVSA-N	373.478	2.076	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NC1CCN(Cc2cccnc2)CC1	588596677	XZJUBJWMMJAEKD-XQRVVYSFSA-N	353.422	2.287	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)CCc3nccs3)CC2)cc1	742916079	BQSOLKXDDYLAFM-UHFFFAOYSA-N	374.510	2.023	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CCN(C3CC3)C(=O)C2)c1O	748262979	GVAHCWZWZHBVDA-UHFFFAOYSA-N	354.406	2.139	10	10	FECE	
Cc1cc(CCNC(=O)c2cc(C(N)=O)c[nH]2)c(C)n1-c1ccccc1	749340895	RFPOACYALQIIGH-UHFFFAOYSA-N	350.422	2.494	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c1	743654061	CHUSFFVGEFXPEO-UKRRQHHQSA-N	352.456	2.462	10	10	FECE	
O=C(NCc1c(O)cccc1F)[C@H]1CCCN1C(=O)c1ccccc1O	928707132	ASEBRGMTWYWKEH-OAHLLOKOSA-N	358.369	2.158	10	10	FECE	
O=C(NCc1c(O)cccc1F)NC1CCN([C@@H]2CCCC[C@H]2O)CC1	921534200	VAWAHLIWPKDLAS-SJLPKXTDSA-N	365.449	2.098	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CCC3(O)CCC3)CC2)cc1F	929824696	XXOVFRBEYRHPPR-MRXNPFEDSA-N	352.450	2.012	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H](C)O[C@H](C4CC4)C3)C2)cc1	852452552	ZWWXMEHEXAXBJC-ALKREAHSSA-N	359.470	2.483	10	10	FECE	
CC(C)(C)N1CC[C@H]1CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	852414527	QAXBEZIOTHBZJX-SFHVURJKSA-N	374.529	2.320	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3nccn3C(F)F)C2)cc1	852188894	QCLBZERSLOKUQE-LBPRGKRZSA-N	365.384	2.365	10	10	FECE	
COC(=O)Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2C(C)=O)cc1	766048885	XLRZYGQLQCDFFF-UHFFFAOYSA-N	363.391	2.111	10	10	FECE	
CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2Cc3cccc(O)c3C2)s1	867690231	DRBJCLCVOMTVMK-JTQLQIEISA-N	366.464	2.355	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(C(=O)NC2CC2)c1	784463756	VIQSPKYDDDABSU-LBPRGKRZSA-N	354.406	2.351	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCc3nn(C)c(=O)cc3C2)c1	781910343	UNNBSNLXCVZRDX-UHFFFAOYSA-N	364.243	2.115	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C[C@@H]3NC(=O)c4ccccc43)C2)cc1	898580432	KLBQKFWYFTUIQV-KUHUBIRLSA-N	365.433	2.265	10	10	FECE	
CNS(=O)(=O)c1ccc2c(c1)CCN2Cc1ccc(N(C)C)c(F)c1	792177008	PRNSJYWMFMQYKR-UHFFFAOYSA-N	363.458	2.363	10	10	FECE	
COc1ccc(CNC(=O)C(=O)Nc2ccc3oc(C)nc3c2)c(O)c1	797390660	MBPLVZICWDEZCH-UHFFFAOYSA-N	355.350	2.105	10	10	FECE	
COc1cc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)ccc1O	797819907	VXSKRTJUSWNDLW-UHFFFAOYSA-N	362.407	2.111	10	10	FECE	
Cc1c(NC(=O)Cc2ccc(O)c(O)c2)cccc1N1C(=O)N[C@@H](C)C1=O	1141704994	GNMPOOJYDRIXQB-NSHDSACASA-N	369.377	2.032	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C	1140198591	KFZFMGDUNJAKIL-NWDGAFQWSA-N	355.431	2.407	10	10	FECE	
CC[C@@H](Sc1nc(CC(=O)NCc2ccccc2O)cs1)C(N)=O	1150537238	ZCAFAYOERPBWPR-CYBMUJFWSA-N	365.480	2.064	10	10	FECE	
CCC[C@H](C)[C@@H](CO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1251501183	NSILAUGZEAHGHI-IPELMVKDSA-N	364.534	2.452	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccnc2c1nnn2C	1264287379	UXKDBZGIONBNCQ-UHFFFAOYSA-N	350.426	2.236	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(CC(C)(C)C)n1C[C@H]1CCC(=O)N1	1503486767	CYPGCMCEBVVQCD-OAHLLOKOSA-N	371.485	2.487	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCOC2)nnc1N1CCOCC1	1361098384	TXURDGYJUKJXDT-QGZVFWFLSA-N	371.485	2.041	10	10	FECE	
CN1CCc2cc([C@@H](O)[C@@H](NC(=O)OCc3ccccc3)C(=O)O)ccc21	1917195396	SAOACJICTIAFGN-QZTJIDSGSA-N	370.405	2.092	10	10	FECE	
CNc1cc(CNC(=O)N(C)CCN(C)c2ccc(OC)cc2)ccn1	1521341910	AXAYENLBEYBLTK-UHFFFAOYSA-N	357.458	2.410	10	10	FECE	
CCO/C=C\[C@@](O)(CNC(=O)c1ccc(N=NC(N)=O)cc1)C(F)(F)F	1298586289	SDYPFCGARSOWPB-RWTFXJAFSA-N	374.319	2.422	10	10	FECE	
CN(CC(C)(C)CN1CCOCC1)C(=O)c1ccc(N=NC(N)=O)cc1	1546063102	FVSYZIZZLFJCDN-UHFFFAOYSA-N	361.446	2.279	10	10	FECE	
O=C(CCNC(=O)c1cc2cc(O)c(O)cc2s1)NCc1ccccn1	1566835416	XHXDDROGHQIZNK-UHFFFAOYSA-N	371.418	2.144	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNc3ccnc(O)c3[N+](=O)[O-])cc2)CC1	1643193759	JROIHHBIJBMLDK-UHFFFAOYSA-N	371.397	2.009	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	1597569767	SLCRDBHMKGAVEL-LLVKDONJSA-N	360.797	2.421	10	10	FECE	
CCC(CC)S(=O)(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	159518313	GKQYLATWXDRWBR-UHFFFAOYSA-N	358.479	2.395	10	10	FECE	
O=C(O)[C@@H](Cc1cnc[nH]1)N1C(=O)/C(=C\c2ccsc2)SC1=S	1858587406	ZSADCXDKBWMTKN-HHYMJXQKSA-N	365.461	2.368	10	10	FECE	
COC(=O)CCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1865957645	WQSGXGPCTPGHPG-GOSISDBHSA-N	361.486	2.349	10	10	FECE	
CCOc1cccc(CNC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1O	702798100	RZDOBKUZAHIDLD-LSDHHAIUSA-N	366.458	2.108	10	10	FECE	
CO[C@@H]1CN(Cc2cc(Cl)cc(Br)c2O)C[C@@H]1C(=O)O	708117177	XDIWRNLXYKXGQO-GXSJLCMTSA-N	364.623	2.340	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])O1	2060633530	OTHLUGVSIDBBAL-AGIUHOORSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)CCCOC1	2060618217	WRBVYZRSEDVUAE-BLLLJJGKSA-N	353.423	2.362	10	10	FECE	
CC(C)(C)OC(=O)NC1(C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)CC(O)C1	2073244630	XVXQLVHGEDCXCT-FZWSLVFFSA-N	353.423	2.096	10	10	FECE	
COCCOC[C@@H](O)CN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1	2106773841	NGGSSDWAGAQRBV-KRWDZBQOSA-N	368.474	2.171	10	10	FECE	
CCCS(=O)(=O)C[C@H](C)NCc1c(O)cccc1Br	2114188979	JURBJCKLSCSPPK-JTQLQIEISA-N	350.278	2.458	10	10	FECE	
CN1C(=O)NC(=O)C(=Cc2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C1=O	2296425903	QOGBKZSONVVVKU-UHFFFAOYSA-N	374.736	2.390	10	10	FECE	
Cc1ccc(O)c(CNC[C@H]2C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c1	2309545472	AIOLDTZEFXHVLN-FRFSOERESA-N	350.459	2.454	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)CN1CCCN(C(=O)OC(C)(C)C)CC1	2315993080	WNTGWZWSFRGSQD-UHFFFAOYSA-N	354.455	2.088	10	10	FECE	
CC(C)(C)OC(=O)NC1(C(=O)O)CC(NCc2ccc3c(c2)CCO3)C1	2337163529	VEMMBLIOXWLPQN-UHFFFAOYSA-N	362.426	2.222	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC[C@@H](Cn3cncn3)C2)c([N+](=O)[O-])c1	108847033	UVCZEUDLUGCMMK-KEDPEKRHSA-N	371.397	2.289	10	10	FECE	
CN(C)C(=O)c1cccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1	103012197	XMDISIMWXXNWQX-UHFFFAOYSA-N	353.422	2.477	10	10	FECE	
COc1ccc(N2CCN(CN3C(=O)c4ccc(F)cc4C3=O)CC2)cc1	176474591	APKUYLHXQHKPGQ-UHFFFAOYSA-N	369.396	2.210	10	10	FECE	
CCN1CCCN(Cc2c(O)c(C(=O)OC)cc3ccccc23)CC1=O	189214587	IQDOWDDIOUXZPH-UHFFFAOYSA-N	356.422	2.386	10	10	FECE	
O=C1N=C(N2CCNCC2)S/C1=C/c1cc(Br)ccc1O	20413961	MHKHXAWFWLQKCN-XYOKQWHBSA-N	368.256	2.030	10	10	FECE	
O=C1Cc2cc(N3CCN(C(=O)CCOc4ccccc4)CC3)ccc2N1	62575933	QKYPNGCSUUSGJJ-UHFFFAOYSA-N	365.433	2.299	10	10	FECE	
Cc1csc(NC(=O)CN(C)Cc2ccc(N3CCOCC3)cc2)n1	78730528	UWCXLQFXQJJRDO-UHFFFAOYSA-N	360.483	2.359	10	10	FECE	
CCc1ccc(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1F	134613389	WVGFNAKEBWENJN-LLVKDONJSA-N	360.385	2.485	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@]3(O)C[C@H]3C2)C1	618759612	QBTWXWFNMNVNAT-KSFYIVLOSA-N	367.493	2.391	10	10	FECE	
COC(=O)CCCCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	277794081	LJAICUHQACUZDP-UHFFFAOYSA-N	354.790	2.153	10	10	FECE	
CC(C)CC(=O)NCCC(=O)NCc1cc(Br)ccc1O	804739374	XWWWOEZJSMUZFW-UHFFFAOYSA-N	357.248	2.323	10	10	FECE	
CCN(Cc1cc(C(C)=O)cc(CN2CCOCC2)c1O)[C@H]1CCOC1	812297291	YWZGXFBKTRYXNI-IBGZPJMESA-N	362.470	2.038	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN[C@H]3CC4CCC3CC4)CC2)cc1	814653491	YJZZQTKAIUKFEP-WJTCQHJGSA-N	373.541	2.346	10	10	FECE	
CN(C)c1ccc(CN(C(=O)C(=O)N[C@H]2COC3(CCC3)C2)C2CC2)cc1	830085279	JLRRQJFWHVXGPA-MRXNPFEDSA-N	371.481	2.071	10	10	FECE	
COC(=O)[C@H](C)N(C(=O)/C=C\c1ccc(N2CCOCC2)cc1)C1CCC1	588583077	MQNMGKJQSUBZMI-CLOOOTJHSA-N	372.465	2.479	10	10	FECE	
CN(C)c1ccc(/C=C\CNC2CCN(S(=O)(=O)C3CC3)CC2)cc1	835044149	XEGUWHTUTMQPDX-ARJAWSKDSA-N	363.527	2.312	10	10	FECE	
COC(=O)/C(C)=C\CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	914400999	ZEDXBUWZOYNOML-OWTLUSIOSA-N	361.442	2.003	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCN(C2CC2)C(=O)C1	840479060	LKOAXGVSWXAYJP-OAHLLOKOSA-N	358.486	2.008	10	10	FECE	
NCC[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cccc3nsnc23)C1	923745246	MIKHYHYMPSUFHK-GFCCVEGCSA-N	374.491	2.408	10	10	FECE	
Cc1cc(C(=O)CN2CCN3CCOC[C@H]3C2)c(C)n1-c1cccc(F)c1	755210870	GUORTRSKAJOMNY-LJQANCHMSA-N	371.456	2.432	10	10	FECE	
Cc1ccc([C@@H](C)NCC(=O)NCC(=O)NCc2ccccc2)c(O)c1C	926964660	LOLZTTHNMJEGDI-MRXNPFEDSA-N	369.465	2.092	10	10	FECE	
C[C@@H]1CCCc2nc(S(=O)(=O)NNc3nc4cccnc4s3)cn21	857225372	KRKNRVUPDKWHAH-SECBINFHSA-N	364.456	2.091	10	10	FECE	
CO[C@@H](C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)C1CCC1	854905965	LMYPAZOSYQWEJM-QGZVFWFLSA-N	354.397	2.233	10	10	FECE	
CC[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCO1	852385018	JHPMOYIQWHATBL-APWZRJJASA-N	361.486	2.405	10	10	FECE	
CCCN1CC[C@H](NC(=O)NCc2cc(Br)ccc2O)C1	852630769	XSHXKIYSTMSUOG-ZDUSSCGKSA-N	356.264	2.438	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@H](C)c3nccn3C)CC2)cc1	852687707	AQKFJPIDIKXIKC-OAHLLOKOSA-N	357.458	2.412	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)[C@@H]3C[C@@H]4C[C@@H]4C3)CC2)cc1	854310526	USCAITVBSPVKBR-PIIMJCKOSA-N	357.498	2.370	10	10	FECE	
C[C@@H](c1ccccc1)[C@@H](NCc1ccc(N2CCOCC2)cc1)C(N)=O	930537499	BNCPRBPVRYKQHO-OXJNMPFZSA-N	353.466	2.270	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@]2(CCO)CCOC2)c1	860108355	ACKVVSYWAHDQRZ-OAQYLSRUSA-N	370.449	2.426	10	10	FECE	
CC(C)C[C@@]1(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CCNC1=O	864634677	MZIVBARZFLJMGT-NRFANRHFSA-N	373.497	2.034	10	10	FECE	
CCN(OC)C(=O)CNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1	862102994	XJHXGDNNTKFHAR-UHFFFAOYSA-N	357.410	2.046	10	10	FECE	
O=[N+]([O-])c1cc(CNC[C@@]2(CCO)CCOC2)ccc1N1CCCCC1	761974080	SGQQZKLSUUDMIC-LJQANCHMSA-N	363.458	2.464	10	10	FECE	
COC(=O)c1c(CN2CCCC[C@H]2CC(N)=O)c2cc(F)ccc2n1C	893978443	SIBIIMFFMWHLGU-ZDUSSCGKSA-N	361.417	2.334	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCCCN(C)C	1137817047	ZEAVLVOZJGFGGC-UHFFFAOYSA-N	356.850	2.279	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC[C@@H](C(=O)NC3CC3)C2)c([N+](=O)[O-])c1	1318112920	ATJOBTZMSDBMJZ-VYLZPFMQSA-N	373.409	2.276	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)C[C@H]1CO	2122353536	YSKWCFKFRWOXDL-SWLSCSKDSA-N	364.446	2.008	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC[C@@H]1CC1(Cl)Cl	1331372921	CEXBNBCKHRMZAP-CYBMUJFWSA-N	372.296	2.411	10	10	FECE	
CO[C@H]1C[C@H](CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)C1	1331851641	WXAZYDUTKUCLRY-CZIWCDLHSA-N	372.421	2.055	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CNCc1cc2c(cc1O)OCO2	1905993742	SWRBWHCJDJSBMV-IHRRRGAJSA-N	362.426	2.466	10	10	FECE	
COc1ccccc1[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1	1348606313	IWUCIVMPPZXQEG-OAHLLOKOSA-N	366.417	2.259	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)CC2)cc1	1261734741	JMQLTOGSXQLAMW-HNNXBMFYSA-N	354.454	2.262	10	10	FECE	
CCO[C@H](C(=O)N1CCN(c2ccc(OC)cc2OC)CC1)C(C)C	1438187264	ZCDFKNLCNFFCTC-SFHVURJKSA-N	350.459	2.414	10	10	FECE	
CCC[C@@H](C)C(=O)NCCn1c(C)nnc1N(C)Cc1ccccc1O	1514281875	JLTCKRMXOCVXEM-CQSZACIVSA-N	359.474	2.481	10	10	FECE	
COCCN(C)CCCC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1	1295228861	XNCXIERADZXOIZ-UHFFFAOYSA-N	364.486	2.237	10	10	FECE	
Cc1c(CCNC(=O)N2CCC[C@H]2C(N)=O)c2cccc3c2n1CCC3	1615718058	WTNNFIPEIYLYKH-KRWDZBQOSA-N	354.454	2.098	10	10	FECE	
Cc1cc(C(=O)NC2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)c(C)o1	1546254191	FTPDZOZHDNWVCJ-UHFFFAOYSA-N	372.421	2.271	10	10	FECE	
COc1ccc(CNC(=O)[C@@]2(C)Cc3ccc(C)cc3C(=O)O2)c(O)c1	1626079699	LOOAACQNOQIFPY-HXUWFJFHSA-N	355.390	2.497	10	10	FECE	
CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cc(O)ccc2O)c1	1633594998	DFYPTJMRXFNKTJ-UHFFFAOYSA-N	369.826	2.475	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CSCCN1Cc1ccccc1	1632857974	MIZHHECGHSAAKD-QGZVFWFLSA-N	372.490	2.374	10	10	FECE	
Cc1ccc(N2C[C@H](C(=O)NCc3ccc(O)c(O)c3)CC2=O)cc1C	1595596003	OMJKWOKWXPCUGI-OAHLLOKOSA-N	354.406	2.384	10	10	FECE	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2c(C)nn(C)c2Cl)c1	161174607	DFIYCHLUVJTKRG-QMMMGPOBSA-N	359.835	2.136	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1	163611080	JHWDCADOEVUPBQ-ZDUSSCGKSA-N	373.375	2.477	10	10	FECE	
COc1cccc(O)c1CNC[C@@H]1CO[C@@H](CNC(=O)OC(C)(C)C)C1	1967888939	LQWLOLNFUFZRJY-ZIAGYGMSSA-N	366.458	2.420	10	10	FECE	
C[C@@H](O)c1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Br	2151273735	QGXPYACMRWRHLC-RULNRJAQSA-N	360.273	2.126	10	10	FECE	
CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CCOCC1	2060634656	CGHGNRQECUSLMM-GFCCVEGCSA-N	353.423	2.219	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1)C(C)(C)O	2067739869	LGNYHHLCPUWLLO-RYUDHWBXSA-N	355.439	2.200	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)N3CC[C@@H](N=[N+]=[N-])C3)O2)C1	2084600145	IBWDWKDURIUROM-NEPJUHHUSA-N	351.407	2.066	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)COc3ccc(N)cc3)C[C@H]2C1	2106268547	NGXKZNMWGKSYSX-MAZHCROVSA-N	361.442	2.019	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)Nc2ccc(N)cc2)CCCO1	2106697160	WHDAUNILRWDWKP-HNNXBMFYSA-N	364.446	2.416	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNCc2ccc(N(C)C)cc2)C1	2098260958	OKMXPTOUJUZIEV-SFHVURJKSA-N	362.518	2.393	10	10	FECE	
O=S1(=O)C[C@H]2CCC[C@]2(NCc2ccc(Br)cc2O)C1	2201885719	UYDQRYZRTJBQRF-RISCZKNCSA-N	360.273	2.212	10	10	FECE	
CC(C)(C)OC(=O)NCCn1cc(NC(=O)c2cccc(O)c2O)cn1	2229393557	RHSNAEHWJYTSNE-UHFFFAOYSA-N	362.386	2.071	10	10	FECE	
O=C1NC(=S)N(C2CC2)C(=O)C1=CNNc1cccc2ccccc12	2296929614	OZFNMQQKZASEPI-UHFFFAOYSA-N	352.419	2.046	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2312334165	NRTZNACDEODRQA-UPJWGTAASA-N	353.423	2.360	10	10	FECE	
CCN(CC)CCN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	183698338	ULQSNAHHBRYKTE-UHFFFAOYSA-N	351.491	2.176	10	10	FECE	
COc1ccc(N2CCN(CC(=O)Nc3nc(C)cs3)CC2)cc1F	84866286	QFWNPSRFJMAYGT-UHFFFAOYSA-N	364.446	2.360	10	10	FECE	
COC(=O)C1=S=C(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)C=C1	433527914	JVNVNGXCMMVCJM-UHFFFAOYSA-N	369.402	2.122	10	10	FECE	
Cc1ccc(S(=O)(=O)N2CCN(c3ccc4c(c3)OCO4)CC2)s1	244280292	WTRJXVSMBLMXIH-UHFFFAOYSA-N	366.464	2.296	10	10	FECE	
CCOCCCN1CC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](C)C1	245744559	SHUKSGZBGYLOLR-LKEBIXNSSA-N	362.470	2.364	10	10	FECE	
C[C@@H](CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1)CC1(C)OCCO1	255378890	DVDHRYYGIDRAAX-CTEOGUNLSA-N	374.481	2.442	10	10	FECE	
CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1ccc(N2CCOCC2)cc1	373587390	WUECLYWNKRUJDK-RTBURBONSA-N	362.470	2.066	10	10	FECE	
CC[C@H](C(=O)NCc1cc(Br)ccc1O)N1CCCC1=O	804738398	ONEYKNPTQRRTJM-GFCCVEGCSA-N	355.232	2.172	10	10	FECE	
CCCn1cc([C@@H](C)NCCN2CCN(c3ccc(OC)cc3)CC2)nn1	902774843	MVXOKJYKYDYYLT-QGZVFWFLSA-N	372.517	2.170	10	10	FECE	
CN(C)c1ccc(CNC(=O)NCc2cn(C)nc2Br)cc1	902877066	GUUJRVDGVYHRJS-UHFFFAOYSA-N	366.263	2.248	10	10	FECE	
COc1cccc(CNC(=O)CCc2cc(OC)c(O)c(OC)c2)c1O	830541186	UMIJDVOLULLBSI-UHFFFAOYSA-N	361.394	2.373	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC([C@@H]2COC(=O)N2)CC1	919082219	XRIPACBLLUHEQP-KRWDZBQOSA-N	360.458	2.091	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)Cc3cc(C4CC4)no3)cc2)CC1	918839084	PGWXXYGXESXMDM-UHFFFAOYSA-N	354.454	2.163	10	10	FECE	
C[C@H](NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(Cl)cc1O	841749315	CILFXSNPUOHURY-PSVSLLHZSA-N	351.834	2.417	10	10	FECE	
CN(C)c1ccc(CN(C(=O)N[C@@H]2CNCCC2(F)F)C2CC2)cc1	842007295	XIDFDWUOGKHIDG-MRXNPFEDSA-N	352.429	2.424	10	10	FECE	
COc1cnc(F)c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	847304129	HBHZACCXDIODNE-UHFFFAOYSA-N	359.401	2.338	10	10	FECE	
CN(C)c1ccc([C@H](N)CNC(=O)C2(C(F)(F)F)CCOCC2)cc1	852791608	KMLRBPWYYBHUPX-CQSZACIVSA-N	359.392	2.228	10	10	FECE	
NC[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(F)cc1	852868518	HVUXXURDTRASKL-HXUWFJFHSA-N	371.456	2.146	10	10	FECE	
CO[C@@H]1CCC[C@@H]([C@@H](CO)NC(=O)NCc2ccc(N3CC=CC3)cc2)C1	852138913	WAIATKIZBKYGGB-MISYRCLQSA-N	373.497	2.428	10	10	FECE	
C[C@H]1[C@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)C[C@H]2CC[C@H]1N2	925690690	GEJXNJJLXMAIOH-AXYPVASZSA-N	351.441	2.420	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)OC[C@@H]3CCCCO3)C2)cc1	855229211	IRZOOPVWXYMOIV-GJYPPUQNSA-N	362.470	2.364	10	10	FECE	
CCOC1(CS(=O)(=O)NCc2ccc(N(C)C)cc2C)CCOCC1	858987788	DMNZFHIWBGNPNU-UHFFFAOYSA-N	370.515	2.066	10	10	FECE	
CNCCCC(=O)N1CCC(NCc2cc(Cl)cc(F)c2O)CC1	853248044	KLIDVIVDJYLUEE-UHFFFAOYSA-N	357.857	2.265	10	10	FECE	
COc1cccc(CNC(=O)N[C@@H]2CNCC[C@@H]2c2ccccc2)c1O	851671937	SPXNYRSSJLVSSB-IAGOWNOFSA-N	355.438	2.346	10	10	FECE	
CCOC(=O)CC[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1	760820149	KGSKHIDDHWLUSW-OAHLLOKOSA-N	363.458	2.054	10	10	FECE	
COC(=O)Cc1sccc1C(=O)N1CCN(c2ccc(OC)cc2)CC1	864470367	GYQSGTHVOBQYJI-UHFFFAOYSA-N	374.462	2.435	10	10	FECE	
CCO[C@H](C(=O)NCc1cc(Br)ccc1O)[C@@H]1CCOC1	868306779	BLGQCWDWYZMWEA-YGRLFVJLSA-N	358.232	2.213	10	10	FECE	
C[C@@](CO)(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(O)c1	862432546	HWQOEFPVDJRHMA-FQEVSTJZSA-N	360.429	2.365	10	10	FECE	
CCN(CC)c1ccc(CNC[C@H](O)CC2(O)CCOCC2)cc1F	872200417	IARQSSRZQCSNHJ-MRXNPFEDSA-N	354.466	2.054	10	10	FECE	
Cc1nc(CS(C)(=O)=O)sc1CC(=O)N[C@H](C)c1ccccc1O	1123868067	HNYQTJUUWYLTAG-SNVBAGLBSA-N	368.480	2.122	10	10	FECE	
Cc1ccc(NC(=S)NCc2ncccc2S(C)(=O)=O)cc1F	782428703	XGDFJOIKEXWWOG-UHFFFAOYSA-N	353.444	2.419	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1cccc(C)n1	788144714	JEYAEUGUOQPYLK-UHFFFAOYSA-N	354.454	2.121	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)CCOCC(C)C)cc2)CC1	786657095	SAKVEXKJZQQEQP-UHFFFAOYSA-N	361.486	2.034	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N1C[C@@H](O)CC(F)(F)C1	786711850	NPOUQUVWRSDSTI-HNNXBMFYSA-N	371.453	2.151	10	10	FECE	
COc1cc(O)c(CNC[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)cc1OC	895819554	ASWACQNOHBQCSR-QUHUKJRKSA-N	351.443	2.472	10	10	FECE	
CNC(=O)C[C@H](NC(=O)NCc1cccc(OC)c1O)c1ccccc1	797545530	FQWYFXBZFKZXGU-HNNXBMFYSA-N	357.410	2.077	10	10	FECE	
NS(=O)(=O)Cc1ccc(C(=O)NCc2c(O)ccc3ccccc23)cc1	1157041304	CJRORRWVZOKMKY-UHFFFAOYSA-N	370.430	2.264	10	10	FECE	
COc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c(O)c1	2116274854	RFWTZWCKVWIREN-ZBFHGGJFSA-N	366.458	2.108	10	10	FECE	
O=C(NCc1cccc(I)c1)c1cc(O)nc(O)c1	2119245259	SEDJQNLMGMJMRF-UHFFFAOYSA-N	370.146	2.027	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H]1COCC[C@H]1NC(=O)OC(C)(C)C	2124295331	NJZDDXMETIWZLZ-LSDHHAIUSA-N	364.442	2.280	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c(C2CC2)nnc1N(C)[C@@H](C)CC(N)=O	1510676999	ZHRYWAQLMFSCRS-AWEZNQCLSA-N	370.501	2.278	10	10	FECE	
CN(C)[C@@H]1CCC[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1	1454001084	AVBDAMPOFDUDPW-IEBWSBKVSA-N	359.514	2.384	10	10	FECE	
C[C@H]1CN(c2ccc(C(=O)NCc3cccc(O)c3O)cn2)C[C@@H](C)O1	1528771779	YDQQMIBKRMSPIQ-BETUJISGSA-N	357.410	2.036	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1	1472273132	VMTOKDMVEXKJMT-JOCQHMNTSA-N	350.415	2.060	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)N[C@H](CO)CC(C)(C)C)N(C)C)cc1	1471542938	FSFACBYXXBYNQN-WMZOPIPTSA-N	364.534	2.452	10	10	FECE	
CCOCc1nnc(N(C)Cc2ccccc2O)n1CCCn1cccn1	1710648429	LINIGMGOIBOBLI-UHFFFAOYSA-N	370.457	2.443	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)[C@H]1CC(c2cnn(C)c2)=NO1	1639521867	BOQBPBOLRVYRFZ-GOSISDBHSA-N	356.426	2.448	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1CCCNC(=O)C1CCC1	1693459782	VVYQXQGISIQMMT-UHFFFAOYSA-N	357.458	2.235	10	10	FECE	
CCc1noc(C)c1NC(=O)C(=O)NCCCSc1nccs1	160961543	DVUMFUMHPBXXLA-UHFFFAOYSA-N	354.457	2.239	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H](N)C4(CC4)C3)ccc(N)c2C1	1876217150	HPTNETVQCRNOLI-QGZVFWFLSA-N	358.486	2.490	10	10	FECE	
CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NCc2ccccc2O)C1	1964888679	GMZWHRBRUONHFC-QGGXVJLZSA-N	350.415	2.081	10	10	FECE	
C[C@H](NCCC1(O)CN(C(=O)OC(C)(C)C)C1)c1cc(O)ccc1O	2027289991	RGFIMWWFVSTXJG-LBPRGKRZSA-N	352.431	2.120	10	10	FECE	
Nc1ccc(CNS(=O)(=O)c2ccc(N)c(Br)c2)cc1	2191638076	PGEPFONDOHONJD-UHFFFAOYSA-N	356.245	2.092	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](CNCc2cccc(O)c2O)C[C@@H]2COC[C@@H]21	2097563960	AETORRLYIBBGIE-ILXRZTDVSA-N	364.442	2.212	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]1CC(=O)N1CCc2cc(O)c(O)cc2C1	2341194841	ZODHWHIMQDPOAW-CQSZACIVSA-N	362.426	2.382	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1	177952833	FFESYKUHQKGKKW-QKNQBKEWSA-N	370.541	2.175	10	10	FECE	
CN(CC(=O)NCc1cnn(-c2ccccc2)c1)c1ccc2c(c1)OCO2	121431932	YGNCCIKWBQINTL-UHFFFAOYSA-N	364.405	2.354	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCN1C(=O)Cc1cccs1	182540070	ZBRGWMSSJQIJNF-CQSZACIVSA-N	360.435	2.009	10	10	FECE	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H](O)c2ccccn2)cc1	279149485	FCAJFOUWKVOTDT-AZUAARDMSA-N	369.465	2.389	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1	2163041169	DQSHFHHVLCDUPN-SOUVJXGZSA-N	374.485	2.395	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)Cn3cnc4c3CCCC4)C2)cc1	819586374	OHMIQRFYZAFXRZ-INIZCTEOSA-N	368.481	2.413	10	10	FECE	
CCCC[C@H](NC(=O)NCC)C(=O)N1CCOc2cc(N(C)C)ccc21	571211536	HLFAXUOMHKYDIP-HNNXBMFYSA-N	362.474	2.356	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N(C(=O)COc1ccc(N)cc1)C2	2131207271	LVIRHXKXMCANCE-HIFRSBDPSA-N	361.442	2.115	10	10	FECE	
CN(C(=O)c1c[nH]nc1[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cn[nH]c1	829455896	JDXVJMHSPHJMMY-NSHDSACASA-N	360.418	2.134	10	10	FECE	
COc1cc(O)c(CNCc2ccc(CN3CC[C@@H](O)C3)cc2)cc1OC	826940894	HCEINWFVLDDKHR-GOSISDBHSA-N	372.465	2.266	10	10	FECE	
O=C(CNC(=O)c1ccccn1)NCc1ccc(N2CCCCC2)cc1	739711192	GXWNVVXUMWODQZ-UHFFFAOYSA-N	352.438	2.118	10	10	FECE	
Cc1cc(Cl)cc([C@@H](C)NCCS(=O)(=O)N=S(C)(C)=O)c1O	903225242	GHFYQCSWVDLDQO-SNVBAGLBSA-N	368.908	2.062	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCCN(C(=O)C3CC3)CC2)c([N+](=O)[O-])c1	588536105	OFUOIOZJNIOIPW-YWEYNIOJSA-N	373.409	2.230	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)[C@@]2(C)CCCS2(=O)=O)cc1	905457785	XGNWIQINWVSWFY-GOSISDBHSA-N	352.500	2.459	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC[C@H](N3CCCC3=O)C2)c([N+](=O)[O-])c1	732050499	CFEHAKTXCLWGFF-HEWZJLJBSA-N	373.409	2.372	10	10	FECE	
COC(=O)[C@H]1CSCCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1	840353989	IIOCIBQHULTLRU-UKRRQHHQSA-N	365.499	2.361	10	10	FECE	
NC(=O)C1CCN(c2ccc(CN[C@H]3CCCN4CCCC[C@@H]34)cc2)CC1	926872561	HBIDKYNLPMFAOB-SFTDATJTSA-N	370.541	2.495	10	10	FECE	
C[C@H](c1ccc(N2CCOCC2)cc1)N1C(=O)N2CCC[C@@H]3C[C@@]32C1=O	924534632	RPDKOFBQZQNZFE-KKVAFCGZSA-N	355.438	2.401	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCC[S@](=O)C(C)(C)C)C2)cc1	852118023	CXKXGPZUDRFADT-SXBQZSJRSA-N	367.515	2.120	10	10	FECE	
CCCOc1cncc(NC(=O)C(=O)N[C@H](C)c2cc(OC)ccc2O)c1	861738483	GTJVUJWROGHTDW-GFCCVEGCSA-N	373.409	2.401	10	10	FECE	
C[C@@H](N[C@H]1CCN(CC(C)(C)O)C1)c1ccc(N2CCOCC2)c(F)c1	866411516	OIZBVPZUENHQOC-WBVHZDCISA-N	365.493	2.158	10	10	FECE	
C[C@H]1CN(Cc2cc3c(cc2O)CCC3)CCN1c1nccn2cnnc12	771178250	YUJDOWHJDDRLAB-AWEZNQCLSA-N	364.453	2.029	10	10	FECE	
O=C1C[C@]2(CCN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2)CN1	789766842	AOAZYRWFOCTBOQ-LJQANCHMSA-N	358.442	2.297	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCN(C(C)(C)CO)CC2)c1	781908337	IESRZGWMQHMMIG-UHFFFAOYSA-N	357.292	2.352	10	10	FECE	
C[C@@H](NCc1cc(Cl)cc(Br)c1O)c1nnc(O)n1C	895172309	SKOOBCWGIAUUIG-ZCFIWIBFSA-N	361.627	2.493	10	10	FECE	
CN(C)c1ncn(-c2cccc(NC(=O)/C=C/c3ccc(O)c(O)c3)c2)n1	799722439	OOSIOHLIGAFRRV-VQHVLOKHSA-N	365.393	2.396	10	10	FECE	
CC(=O)N/C(=C\c1cccs1)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	1138153124	YPCBFJPONRJCIY-MKVLZVNKSA-N	360.435	2.384	10	10	FECE	
COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1ccc(O)c(OC)c1	797819587	NRLOXOIJCSERGX-UHFFFAOYSA-N	351.380	2.297	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H](O)c3ccccc3OC)CC2)cc1F	1150240742	RFMHPNIZWWDJHW-IBGZPJMESA-N	374.412	2.225	10	10	FECE	
C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCN1c1cnccn1	1308174379	QXDAKBJVJSGHHF-QGZVFWFLSA-N	353.470	2.024	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@@H]1CNC(=O)COc1ccc(N)cc1	1905991816	NYSUTIXKPBIIAT-MAZHCROVSA-N	361.442	2.019	10	10	FECE	
CO[C@@H]1CCC[C@H]([C@H](CO)NC(=O)NCc2ccc(N(C)C)c(F)c2)C1	1347236810	BRWFANBFHGRDQM-UXLLHSPISA-N	367.465	2.257	10	10	FECE	
[N-]=[N+]=NC[C@@H]1CCCN([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2O)C1	1912202415	GYJZWBXIZMXXKK-YESZJQIVSA-N	359.430	2.391	10	10	FECE	
Cc1cc(C)n(CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c(=O)n1	1291849147	CKIXFBDCIFNXIF-UHFFFAOYSA-N	356.470	2.363	10	10	FECE	
CCN1CC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	1465532409	BTCTYNJTMKBUDT-CZUORRHYSA-N	353.413	2.467	10	10	FECE	
Nc1c(C(=O)NCc2ccc3cccnc3c2O)cnn1-c1ccccn1	1557121757	ANDZGBYKYGBQAG-UHFFFAOYSA-N	360.377	2.033	10	10	FECE	
Cc1c(C(=O)NCc2c(O)ccc3ccccc23)nnn1-c1cnn(C)c1	1558554093	JIRFGLXTDLWDNP-UHFFFAOYSA-N	362.393	2.098	10	10	FECE	
Cc1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)c(O)c1O	1640920861	FRPVDYGRUVPXRK-STQMWFEESA-N	368.405	2.484	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(Cc2cc(F)cc(F)c2O)C1	1962852774	QAINCCNHANTJAG-QGZVFWFLSA-N	372.368	2.224	10	10	FECE	
CN(C(=O)[C@@H](N)Cc1ccc(O)c(O)c1)[C@@H]1CC[C@@H]1OCc1ccccc1	2156442547	BFDFSFLUSCHMNX-QKLQHJQFSA-N	370.449	2.174	10	10	FECE	
C[C@@H](NCc1cc2c(cc1O)OCO2)C1CN(C(=O)OC(C)(C)C)C1	686276782	XMZQUYVLGNWAID-LLVKDONJSA-N	350.415	2.466	10	10	FECE	
CCN1CCc2cc([C@](O)(CNC(=O)OC(C)(C)C)COC)ccc21	2044711273	QGCQGSCUIGHLAN-IBGZPJMESA-N	350.459	2.428	10	10	FECE	
CN(C)c1ccc([C@H](O)C2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)cc1	2046275224	BRPLYZNSXJPHPH-AWEZNQCLSA-N	350.415	2.108	10	10	FECE	
COC(=O)c1cccc(N)c1N[C@@H]1CCON(C(=O)OC(C)(C)C)C1	2046521269	KUNHUAYJASGCSW-LLVKDONJSA-N	351.403	2.408	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2060614557	DQWLBJCYMLIZTA-OLZOCXBDSA-N	355.439	2.201	10	10	FECE	
O=C(O)[C@H]1C[C@H](O)CN(Cc2cc(Cl)cc(Br)c2O)C1	2201044309	MCYLDBQVXFHWFA-WPRPVWTQSA-N	364.623	2.076	10	10	FECE	
Cc1cccc(CNC(=O)COC[C@@H](C)NC(=O)OC(C)(C)C)c1O	2084059373	RUDJIJGKYKNBMB-CYBMUJFWSA-N	352.431	2.247	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN2CCC(=O)Nc1ccc(N)cc1	2106679586	XZJXBEFKYGVNTH-CVEARBPZSA-N	360.458	2.291	10	10	FECE	
[N-]=[N+]=N[C@H]1CCN(S(=O)(=O)Cc2ncsc2Br)C1	2219000569	FOTSVPFVXSBZQF-LURJTMIESA-N	352.239	2.120	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@]2(NCc3c(O)cccc3F)CO[C@H]1C2	2255112179	AXPQAVHMNZJUTH-YEWWUXTCSA-N	352.406	2.446	10	10	FECE	
C[P@@]1(=O)C[C@@H](O)[C@H](NCc2cc(Br)cc(F)c2O)C1	2296658672	GSAWSQMBRVMOSO-BFKGZMGPSA-N	352.140	2.119	10	10	FECE	
NC(=O)c1cccc(OC(=O)C=Cc2ccc(N3CCOCC3)cc2)c1	2297505291	SBBYOXDKWSOPEO-UHFFFAOYSA-N	352.390	2.241	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)[C@H]2CCC[C@H]21	2309642393	FUFSSPXQNNYBEV-QTQYWKMLSA-N	350.459	2.191	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)c1cnc(CNC(=O)OC(C)(C)C)n1C	2315986784	IJLLKKCWSCZGSN-UHFFFAOYSA-N	351.411	2.217	10	10	FECE	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc3c(c2)OCCO3)C1=O	4739692	HKMRBLYYMGTZIK-GXDHUFHOSA-N	364.357	2.433	10	10	FECE	
CN(C)c1ccc(CNC(=O)NC2CCC(S(C)(=O)=O)CC2)cc1F	174443849	VJNQFOVXMVZTAV-UHFFFAOYSA-N	371.478	2.047	10	10	FECE	
CCOc1ccc(S(=O)(=O)NCCc2cc(O)c(O)cc2C)cc1	170271083	DWUPDKXAMLYYCQ-UHFFFAOYSA-N	351.424	2.326	10	10	FECE	
Cc1c(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)cnn1C	92012398	ASHYNKXHROKXFV-UHFFFAOYSA-N	367.497	2.191	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)N[C@H]1CCNC12CCC2	529353597	XYLMKOVQPYWKAT-ZDUSSCGKSA-N	354.248	2.239	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)NC[C@@H](O)Cc1ccccc1	255662249	KRXLRMDOVLEXJA-OMCJBDSBSA-N	366.461	2.256	10	10	FECE	
COc1ccc(N2CCCN(C(=O)[C@H]3CCCC34OCCO4)CC2)cc1	376610279	MFVSVFYOCRHIKN-GOSISDBHSA-N	360.454	2.277	10	10	FECE	
COCCO[C@H]1CCCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1	800872165	QRQPHCPNWWAOHG-VFADXPBXSA-N	364.398	2.413	10	10	FECE	
C[C@H](OC[C@@H]1CCCO1)C(=O)NCc1cc(Br)ccc1O	804733492	QUDZGRXHZSFADU-GWCFXTLKSA-N	358.232	2.355	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](O)[C@H]2C)C1	654168690	VCKCOCRLPRDRME-FOIQADDNSA-N	355.482	2.390	10	10	FECE	
C[C@@H](C[C@@H]1COCCN1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	817916192	CQNMIZSCCFTYOW-GHTZIAJQSA-N	372.557	2.075	10	10	FECE	
COc1cccc(CNC(=O)NC/C=C\CNC(=O)OC(C)(C)C)c1O	812470776	VSXRLLSMOQZKIZ-WAYWQWQTSA-N	365.430	2.281	10	10	FECE	
O=C(c1cn(CC2CC2)nn1)N(Cc1ccccc1O)C[C@H]1CCCO1	825775996	AEFCBXFPBXLDFZ-MRXNPFEDSA-N	356.426	2.215	10	10	FECE	
Cc1cn(C)nc1NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	826030385	YGPLKOTWSYXFTB-UHFFFAOYSA-N	365.384	2.165	10	10	FECE	
COC(=O)[C@@H]1CCN(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)C[C@H]1C	588576864	GKRLSJMSZLHZAW-BXOXOBTFSA-N	372.465	2.194	10	10	FECE	
Cc1cc(C(=O)CN2CC[C@@H](O)[C@H](CO)C2)c(C)n1-c1ccc(F)cc1	839665911	IYGLHHIVUKXVBD-HNAYVOBHSA-N	360.429	2.091	10	10	FECE	
CCc1ncc(S(=O)(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)s1	849416616	TXCPGYVQPFPOJH-LBPRGKRZSA-N	367.496	2.271	10	10	FECE	
CN(C)c1ccc(CN(CCn2nc3ccccn3c2=O)C2CC2)cc1	917074566	AFDCBVXGHIQLQC-UHFFFAOYSA-N	351.454	2.227	10	10	FECE	
COCCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2COC)cc1	840915190	MDQBRUYMGGXVHF-UHFFFAOYSA-N	367.423	2.365	10	10	FECE	
CCN(C)c1ccc([C@@H](C)NC[C@]2(CO)COCC3(CCC3)N2C)cc1	858465303	CHDSYVKGGJQFJU-UTKZUKDTSA-N	361.530	2.409	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2C[C@H]3C[C@]3(c3ccccc3)C2)c1	927307417	NYZVOFAZTNVRJD-AUUYWEPGSA-N	372.446	2.177	10	10	FECE	
CCN(C)Cc1cc(O[C@@H]2CCN(C(=O)c3cccc(O)c3O)C2)ccn1	856628795	ANZXOEJYBDQEHB-MRXNPFEDSA-N	371.437	2.238	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H](C)C(C)(C)OC)CC2)c(OC)c1	925524946	CIACYAYYNRRTQU-AWEZNQCLSA-N	365.474	2.349	10	10	FECE	
CC1CCN(c2ccc(CNS(=O)(=O)[C@@H]3CCCNC3)cc2)CC1	923609068	USZLRYYQMOULKK-GOSISDBHSA-N	351.516	2.094	10	10	FECE	
CC(C)[C@H]1COCC[C@H]1NCc1ccc(N2CCS(=O)(=O)CC2)cc1	925055137	LCPWFZXBLYWUCD-RTBURBONSA-N	366.527	2.072	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CCc3c(C)nn(C)c3C)C2)cc1	855229090	KBRASYIEAORXSE-INIZCTEOSA-N	356.470	2.373	10	10	FECE	
COC(=O)c1ccc(O)c([C@@H](C)NCCN2C[C@H]3CCCCN3C2=O)c1	850562832	PLPPCEPKXHURDW-UKRRQHHQSA-N	361.442	2.120	10	10	FECE	
CCOCCOCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	754547817	KDKRRGOGFSQUAF-UHFFFAOYSA-N	353.374	2.454	10	10	FECE	
CCOC(=O)C12CC(CN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-])C2	853963696	FLBSMHAXZHZKMV-FNORWQNLSA-N	360.366	2.313	10	10	FECE	
Cc1cc(CC(=O)NC[C@H]2CCN(C(N)=O)C2)c(C)n1-c1ccccc1	854433094	CLKYALWPBHHVPC-MRXNPFEDSA-N	354.454	2.153	10	10	FECE	
CCC(CC)N1C[C@@H](C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1=O	855231860	MXRWBZUZFICVEC-HOTGVXAUSA-N	373.497	2.427	10	10	FECE	
CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2COC[C@H]2c2ccccc2)cc1	852791777	MFOUPZSMPGONSX-XUVXKRRUSA-N	353.466	2.299	10	10	FECE	
C[C@H](N[C@H](CO)c1ccnn1C)c1cc(Br)cc(F)c1O	858434413	GKDWCTWRNGGTQE-QPUJVOFHSA-N	358.211	2.412	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c([N+](=O)[O-])c1	764178307	GKOKIUNALNFEMO-NEFCLYRVSA-N	373.409	2.276	10	10	FECE	
Fc1cc(CN[C@H]2CCO[C@@]3(CCOC3)C2)ccc1N1CCOCC1	770751767	BKOUBGPMABQAGO-LPHOPBHVSA-N	350.434	2.090	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cccc([S@@](C)=O)c3)CC2)cc1	770211608	GMPPLNKLKCHDPY-RUZDIDTESA-N	358.463	2.395	10	10	FECE	
CC(=O)N(c1ccc(N)cc1)c1nn2c(nc3cc4c(cc32)OCO4)[nH]1	82740995	YHGXVIQIRMOAMM-UHFFFAOYSA-N	350.338	2.206	10	10	FECE	
C[C@@H]1CN(c2ccc3c(c2)N(C)C(=O)[C@@H]3N)CCN1Cc1ccccc1	396657747	WYJRRHXWNDWRBA-FOIQADDNSA-N	350.466	2.374	10	10	FECE	
COCCOC[C@@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1	1881483165	NTDHDSWJMBCATE-QGZVFWFLSA-N	367.490	2.138	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@@H]3C[C@H]4C[C@H]3[C@H](CO)C4)CC2)cc1	898167275	XMDVWMMKNPVGBX-GIYDNNGJSA-N	373.497	2.324	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCC(F)(F)C3)CC2)cc1	795094311	GEHPDORENHAVAT-OAHLLOKOSA-N	367.440	2.369	10	10	FECE	
COc1cc(N2CCN(Cc3cc(C)ncn3)CC2)cc(OC)c1OC	794497441	PWFNWWSONQQTCV-UHFFFAOYSA-N	358.442	2.133	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)N3CCC[C@H](CN=[N+]=[N-])C3)[C@H]21	2124515081	YCVUIGWBXRIQNW-AAVRWANBSA-N	365.434	2.170	10	10	FECE	
COc1ccc([C@H](C)N(C)C(=O)C(=O)N2Cc3cccc(O)c3C2)cc1	1329339910	JYMLIZZGQZSLGD-ZDUSSCGKSA-N	354.406	2.463	10	10	FECE	
CC(C)C[C@H](NC(=O)N[C@@H](C)c1ccccc1O)C(=O)N1CCOCC1	1252252364	VLDWJIXWSKKQQM-HOCLYGCPSA-N	363.458	2.026	10	10	FECE	
CCN(CC)c1ccc(Cn2c(C)nnc2N2CCC[C@@H](C(N)=O)C2)cc1	1501835644	ZIHHGDYSKBLDIN-QGZVFWFLSA-N	370.501	2.183	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(Cc2ccccc2)c1N	1447559195	BBVWPBUPAXLCJB-ZDUSSCGKSA-N	366.421	2.286	10	10	FECE	
Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)NCc1c(O)cccc1O	1456313579	FLGANIAVWWRKAQ-UHFFFAOYSA-N	362.386	2.108	10	10	FECE	
O=C(NCc1cccc(O)c1O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1	1528771634	RXEXIUWFJQJTPP-QGZVFWFLSA-N	368.433	2.195	10	10	FECE	
O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCCN1CC[C@@H](O)C1	1458524517	YUADDVYWOGMSOE-MRXNPFEDSA-N	355.394	2.304	10	10	FECE	
COCCCCN1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C	1707267214	HSFPGIOQYRPQBG-CJNGLKHVSA-N	361.446	2.468	10	10	FECE	
COCCN(CCCNC(=O)C(F)(F)F)c1ccc(OC)c(OC)c1	1615904402	LEQFFWMCCOTHQB-UHFFFAOYSA-N	364.364	2.225	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1	1622664099	GWWBUJLUIUPPGM-UHFFFAOYSA-N	368.349	2.181	10	10	FECE	
COc1cccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1C	1633584452	JVCAMBRITJWBLD-UHFFFAOYSA-N	364.423	2.011	10	10	FECE	
COc1ccc(CN[C@@H](C)CN(C)C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1C	1734329452	GXBQCTSPGFKBOQ-USXIJHARSA-N	356.470	2.467	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(-n3nnnc3C)cc2)c1	1595806421	KBDSNBBEJXUNSM-LLVKDONJSA-N	353.382	2.176	10	10	FECE	
CS(=O)(=O)c1ccc2[nH]c(=Nc3ccc(C(=O)O)cc3O)sc2c1	1859858393	QFMLFYAWEAAULO-UHFFFAOYSA-N	364.404	2.269	10	10	FECE	
CCCCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1C	1869969530	PEQDXQHXKNKFAI-UHFFFAOYSA-N	372.473	2.279	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C(=O)NCc2ccccc2O)C1	1964888513	FSWDTQWXACWLER-UKRRQHHQSA-N	350.415	2.081	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C[C@@H](N)C(C)(C)O	1951991924	CXOSWYYLMJSWAT-SWLSCSKDSA-N	354.447	2.022	10	10	FECE	
O=S1(=O)CC[C@@]2(CCCN2c2ccc(CO)cc2Br)C1	2158452000	AKMGXAJJCWDOLN-AWEZNQCLSA-N	360.273	2.099	10	10	FECE	
O=C(O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)N(Cc1ccccc1)C1CC1	383535814	CCLQWXFWUFVZMO-INIZCTEOSA-N	370.405	2.468	10	10	FECE	
Nc1ccc(OCCN2C[C@@H](CNC(=O)C(F)(F)F)C3(CCC3)C2)cc1	2174057464	UIDWDJASFPFARY-CYBMUJFWSA-N	371.403	2.428	10	10	FECE	
CO[C@H](C)[C@H](CC(=O)N1CC[C@H](CN=[N+]=[N-])C1)NC(=O)OC(C)(C)C	2060613546	SEHFPUJRCNPPMH-UPJWGTAASA-N	355.439	2.464	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C(=O)N2CCC(N=[N+]=[N-])CC2)C1	2073948049	YCPLQHBMZBOQCK-STQMWFEESA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1CCCN(CC(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])CC1	2225802527	ZKIFKTVJHDYTKQ-UONOGXRCSA-N	366.466	2.277	10	10	FECE	
O=C1C(=CN2CCOCC2)SC(=S)N1c1ccccc1[N+](=O)[O-]	2313610351	WFWCZYDRFJGQCM-UHFFFAOYSA-N	351.409	2.133	10	10	FECE	
CC(C)(C)OC(=O)NC1(CC(=O)N2CCc3cc(O)c(O)cc3C2)CC1	2341195953	KKUDATPVUIYCBY-UHFFFAOYSA-N	362.426	2.430	10	10	FECE	
Cn1ncc(I)c1NC(=O)CCc1ccc(N)cc1	2353677775	MZLSHAFCVVJMRO-UHFFFAOYSA-N	370.194	2.178	10	10	FECE	
COc1ccc(C(=O)NCC(=O)NCc2ccc(N(C)C)cc2C)cc1	115726045	PIRFBIKQTMLDMO-UHFFFAOYSA-N	355.438	2.116	10	10	FECE	
CC[C@H](N[C@H](C)C(=O)NCCOC)c1cc(Br)ccc1O	228983487	IEQCZRPYMVXPIJ-MFKMUULPSA-N	359.264	2.347	10	10	FECE	
CCC(=O)N1CSC[C@@H]1C(=O)NCc1cccc(Br)c1O	277550777	OFTVSZLBGRBQMH-LLVKDONJSA-N	373.272	2.082	10	10	FECE	
COc1ccc(O)c(CNC(=O)N[C@H]2CCN(c3ccccc3OC)C2)c1	370405210	JEBNKQRGUOWNTD-HNNXBMFYSA-N	371.437	2.488	10	10	FECE	
COc1nnc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)s1	282953313	XYGZNRHRUFCZFJ-LBPRGKRZSA-N	364.427	2.465	10	10	FECE	
Cn1ncc2cc(C(=O)NCc3cc(Br)ccc3O)cnc21	804732933	FTEMLRSBXHJYSK-UHFFFAOYSA-N	361.199	2.366	10	10	FECE	
CN(C)C1(CNC(=O)NCc2cc(Br)ccc2O)CCC1	805318699	IZOXBGMCWVAESB-UHFFFAOYSA-N	356.264	2.438	10	10	FECE	
O=S(=O)(NC[C@@H]1CCCN(Cc2cc3c(cc2O)CCC3)C1)C1CC1	808227171	UZNGEETZUXBLNE-AWEZNQCLSA-N	364.511	2.175	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)[C@@H]3CC[C@@H]4C[C@H]4C3)CC2)cc1	817524069	NMOQLPXCVUJUTR-KURKYZTESA-N	357.498	2.370	10	10	FECE	
CN(C)c1ccc(CN(Cc2cnnn2[C@@H]2CCCNC2)C2CC2)cc1	903879740	IHRTUWJPIPOQEP-LJQANCHMSA-N	354.502	2.433	10	10	FECE	
COc1cc(CNC/C=C/c2ccc(N(C)C)cc2)ccc1OCC(N)=O	835036670	NAIQLLPAVXXOLG-SNAWJCMRSA-N	369.465	2.428	10	10	FECE	
O=C(c1ccc2c(n1)OCCO2)N(Cc1ccccc1O)C[C@@H]1CCCO1	847604073	IYRRZGPABKWUIN-HNNXBMFYSA-N	370.405	2.380	10	10	FECE	
CNC(=O)[C@@H](CNC(=O)c1cc(O)cs1)Cc1ccc(F)cc1C	844148318	ZIEQIULHXJNTQG-GFCCVEGCSA-N	350.415	2.236	10	10	FECE	
COc1ccc(N(C)CC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)cc1OC	741781761	BTVCNHLEOZHSKO-ZDUSSCGKSA-N	358.442	2.368	10	10	FECE	
CCn1nc(C)c([C@@H](C)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)n1	926874248	RPJAUWPHIKHCDE-CQSZACIVSA-N	370.501	2.159	10	10	FECE	
COc1ccc(N2CCN(CCCN[C@@H](C)c3ccnnc3)CC2)cc1	924579214	HJVCYIZQSNMQMV-KRWDZBQOSA-N	355.486	2.348	10	10	FECE	
OC1CCN(c2ccc(CNCc3cn(C4CCC4)nn3)cc2F)CC1	850072837	NONBWNKORBZGGO-UHFFFAOYSA-N	359.449	2.393	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc(C(=O)N(C)C)cc3)C2)cc1	855229044	HAWPSHCPCLXWLX-QGZVFWFLSA-N	367.449	2.406	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c([N+](=O)[O-])c1	858793449	GBQLXVYLPAFGMP-LSNYOGTMSA-N	364.423	2.271	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3ccc4cncn4c3)C2)cc1	852377354	GBWIYLZQSPXMEJ-MRXNPFEDSA-N	365.437	2.421	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3c(C)cc(C)nc3O)C2)cc1	853250366	XLHLWRMNSXBIJA-HNNXBMFYSA-N	370.453	2.491	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)COCc2ccnc(OC)c2)cc1	862128166	ALSXJZLFLGYYTH-UHFFFAOYSA-N	373.453	2.210	10	10	FECE	
C[C@@H](NCC(C)(C)CS(N)(=O)=O)c1cccc(C(F)(F)F)c1O	866572479	ORHHIXSNEWWXEA-SECBINFHSA-N	354.394	2.376	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc([N+](=O)[O-])cn1	762235826	XDOVAZLSBBWEKN-UHFFFAOYSA-N	374.372	2.020	10	10	FECE	
C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)NCc1ccco1	1136514179	XHSLASHUSXBVDA-SECBINFHSA-N	360.391	2.340	10	10	FECE	
COc1ccc(CNC(=O)C(=O)Nc2cc(C)c(OC)cc2C)c(O)c1	797389428	HKFGMQJRMLPFDV-UHFFFAOYSA-N	358.394	2.281	10	10	FECE	
COc1cc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)ccc1O	797820067	DTWFJHLRISBSIX-UHFFFAOYSA-N	354.340	2.118	10	10	FECE	
CO[C@@H](C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1)C1CN(C(=O)OC(C)(C)C)C1	2124532253	JHPBDWOZGWMXTD-GXTWGEPZSA-N	367.450	2.417	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CCC[C@H]3CN=[N+]=[N-])CO[C@H]2C1	2124536367	QUIFJJSGPXXWFV-DGAVXFQQSA-N	365.434	2.170	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@H]1C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2124507914	DBBASMWZMHJCJC-HZSPNIEDSA-N	367.450	2.465	10	10	FECE	
COc1ccc([C@@H]2CCN(C(=O)C(=O)N3Cc4cccc(O)c4C3)C2)cc1	1329795894	DOYALMGEGHCQNK-OAHLLOKOSA-N	366.417	2.259	10	10	FECE	
CN1CCN(c2ccc(CN3CC[C@@H](Nc4ncccn4)C3)cc2F)CC1	1327119901	CSXRJHGURNJQGD-QGZVFWFLSA-N	370.476	2.054	10	10	FECE	
COc1ccccc1C[C@@H](C)N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1	1261858633	XERDLXFPZOFZBU-CQSZACIVSA-N	368.433	2.333	10	10	FECE	
CC(C)[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1	1350938119	YEWVKKUNRWOQBH-HKUYNNGSSA-N	374.481	2.451	10	10	FECE	
Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)Cc1ccc(O)c(O)c1	1447322050	QXBQMPPXOBNCKO-UHFFFAOYSA-N	370.405	2.060	10	10	FECE	
C[C@H](NCC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1ccccc1O	1460635056	AMPHNRWHCVWDCQ-JTQLQIEISA-N	359.451	2.331	10	10	FECE	
Cc1ccc2c(c1)C(=O)N(CC(=O)NCc1cc(Cl)ccc1O)C2=O	1644587298	IHPJGIABUGMDPF-UHFFFAOYSA-N	358.781	2.266	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N2CCOc3c(F)cc(F)cc32)c1	1585241004	QLDKDPRINMUWRO-NSCUHMNNSA-N	359.332	2.158	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1	1683986370	MOUXKURAHCLJDP-QRQLOZEOSA-N	359.470	2.232	10	10	FECE	
C[C@@H](Cn1cncn1)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	158179444	HAOJYCBYRYTXIS-INIZCTEOSA-N	356.474	2.499	10	10	FECE	
CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](O)C1(C)C)c1ccc(N)cc1	1879117689	GDWQMTMDJVZZMC-IFXJQAMLSA-N	363.458	2.286	10	10	FECE	
COc1cccc(O)c1CN[C@H]1COCCN(C(=O)OC(C)(C)C)C1	1967732323	RYZIZCGDWKHGJD-CYBMUJFWSA-N	352.431	2.126	10	10	FECE	
C[C@@H](CNC(=O)OC(C)(C)C)N(C)[C@H](C)C(=O)Nc1ccc(N)cc1	2044609916	ASPVQWRWYPXVID-QWHCGFSZSA-N	350.463	2.441	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)Nc3ccc(N)cc3)[C@H]2C1	2106695403	XMTGFDLSCMQTLO-GJZGRUSLSA-N	362.430	2.121	10	10	FECE	
C[C@H]1[C@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)Cc1ccc(N)cc1	2106694505	IHLJOONZSOIXTA-JRPNMDOOSA-N	357.376	2.115	10	10	FECE	
COc1ccc(O)c(CNCC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1	2208902249	RGARRANTPDSQCO-LJQANCHMSA-N	366.458	2.252	10	10	FECE	
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2218737877	LJSULGGJPISWFT-QNWHQSFQSA-N	353.423	2.358	10	10	FECE	
CC(C)(C)OC(=O)N(CCCO)CCC(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-]	2319869442	AEVKSRJWBAQLIY-CHWSQXEVSA-N	355.439	2.344	10	10	FECE	
C[C@H]1C[C@@H](C(=O)N2CCc3cc(O)c(O)cc3C2)N1C(=O)OC(C)(C)C	2341194524	UYIHQCAQJCCLPR-FZMZJTMJSA-N	362.426	2.380	10	10	FECE	
CCCOc1ccc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)c(O)c1	179893687	QAPOTGGVCKGZPJ-KRWDZBQOSA-N	362.470	2.252	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCN2CCC[C@H]2C1	171902119	HJKDLHBYRNPWOC-SFHVURJKSA-N	360.527	2.229	10	10	FECE	
CC(=O)c1cc(F)cc(CN[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1O	181564949	AQVQGZVSDIHYIR-SNVBAGLBSA-N	366.414	2.232	10	10	FECE	
CC[C@@H](NC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2)C(=O)NC	457043333	IEAHOLVRITVQSC-QGZVFWFLSA-N	370.497	2.049	10	10	FECE	
CC[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@@]2(CCOC2)O1	365413963	YLUUMKVSTRSDMH-HNAYVOBHSA-N	365.449	2.371	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(N2CCC2)nc1	819698492	MHICMHYKEJYYOI-UHFFFAOYSA-N	369.421	2.203	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC[C@H](n3ccnn3)C2)c([N+](=O)[O-])c1	819946263	KCHZLSUJNBCANT-DYLGSBMWSA-N	357.370	2.214	10	10	FECE	
CN1CCCc2cc(CNS(=O)(=O)CCC[C@H]3CCOC3)ccc21	827072622	UJAQNRAOLAIXPO-HNNXBMFYSA-N	352.500	2.305	10	10	FECE	
CC(C)c1n[nH]c(CNC(=O)NCc2cc(Br)ccc2O)n1	838644210	LRLHKKJKWBJRPQ-UHFFFAOYSA-N	368.235	2.396	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CCS(=O)(=O)[C@@H]3CCC[C@H]32)c1O	832462233	BMLIUQSJBQBKHJ-HUUCEWRRSA-N	357.859	2.400	10	10	FECE	
Cn1c2c(ccc1=O)[C@@H](NCc1ccc(N3CCOCC3)cc1)CCC2	846106656	DHFXVNCOTYUVDT-IBGZPJMESA-N	353.466	2.389	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)CCC3CCOCC3)C2)cc1	849417359	PPAUAELRRHHFQA-MRXNPFEDSA-N	368.499	2.010	10	10	FECE	
COC(=O)c1cccc2c1CN(Cc1cc3c(cc1O)OC[C@H]3O)CC2	842637389	MGERCZBFCSRUKP-GOSISDBHSA-N	355.390	2.163	10	10	FECE	
COC(=O)Cc1ccnc(N2CCN(c3ccc(OC)c(F)c3)CC2)c1	853435271	JDRBZOMQKSYHMH-UHFFFAOYSA-N	359.401	2.271	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](O)c3cccc(F)c3)C2)cc1	852454693	PWZDCYQBLIBLCB-VQIMIIECSA-N	373.428	2.446	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3cn4ccccc4n3)C2)cc1	852453974	MVAUSQMSQDKVLI-HNNXBMFYSA-N	365.437	2.421	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NCC2(S(=O)(=O)CC)CC2)cc1	851988123	TWNLMSSAPLHRFZ-UHFFFAOYSA-N	367.515	2.299	10	10	FECE	
COC(=O)c1cnc([C@H]2CCCN(C(=O)c3cccc(O)c3O)C2)s1	856462245	YGTAJEJRQPOOKP-JTQLQIEISA-N	362.407	2.361	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3ncccc3OC)C2)cc1	852375844	NTEMOZVRJJOPII-AWEZNQCLSA-N	356.426	2.177	10	10	FECE	
CNS(=O)(=O)C[C@@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1	860196839	KXIWBFJCZRQOSI-GFCCVEGCSA-N	374.890	2.009	10	10	FECE	
COc1ccc(N2CCCN(S(=O)(=O)CC3(OC)CCC3)CC2)cc1	866561805	LMEDBWOXKHUSOI-UHFFFAOYSA-N	368.499	2.106	10	10	FECE	
COc1c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccnc1F	1119763199	NPPAWXFGMUZETI-UHFFFAOYSA-N	363.364	2.135	10	10	FECE	
COc1cc(O)c(CNC[C@@]2(O)[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)cc1OC	787306017	XZYMIVIMFZQQQV-KXUWGOHPSA-N	357.450	2.008	10	10	FECE	
COC1CCC(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1	788931386	FBHWMQMOTWOAKQ-UHFFFAOYSA-N	373.497	2.224	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCC[C@H]1CN=[N+]=[N-])[C@@H]1CCOC1	2124504581	AJGXIIPUUCZBDD-RDBSUJKOSA-N	367.450	2.465	10	10	FECE	
COC[C@H](F)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1O	1315822449	ULXYCNIKGNOECR-LSDHHAIUSA-N	364.421	2.109	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H](NC(=O)c1cccc(O)c1O)C2	2118187076	HHBKXIYSUZZEBD-SGMGOOAPSA-N	362.426	2.473	10	10	FECE	
Cc1ccc([C@H](C)N=c2nc(CCNC(=O)OC(C)(C)C)[nH][nH]2)c(O)c1	2126783692	LCQOABIQVNBMEC-LBPRGKRZSA-N	361.446	2.481	10	10	FECE	
CC1(CCNC(=O)c2cc(O)c(O)c(O)c2)CN(C(=O)OC(C)(C)C)C1	2132414307	VTYCQNFPZBXOGS-UHFFFAOYSA-N	366.414	2.180	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)c3cc(=O)cc[nH]3)cc2F)C[C@H](C)O1	1464311739	VMVAXCHIXFZEST-STQMWFEESA-N	359.401	2.058	10	10	FECE	
C[C@@H](NC(=O)c1cccs1)C(=O)NCc1ccc2cccnc2c1O	1638573068	IBFHLCHQTPVBOH-LLVKDONJSA-N	355.419	2.437	10	10	FECE	
O=C(NCc1nc(-c2ccccn2)n[nH]1)c1cc2cc(O)c(O)cc2s1	1569080422	QLESOWOXXMFPBR-UHFFFAOYSA-N	367.390	2.423	10	10	FECE	
CN1CCc2nc(NC(=O)CNCc3cc(Cl)ccc3O)sc2C1	1857876533	FXSMTSAMMMNXQN-UHFFFAOYSA-N	366.874	2.218	10	10	FECE	
CN(C)c1ccc(CNCCC(=O)N(CCO)Cc2ccccc2)cc1	1857863465	ZDNZKFPIVCJWCU-UHFFFAOYSA-N	355.482	2.253	10	10	FECE	
C[C@@H]1C[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)CN1C(=O)OC(C)(C)C	2044236966	KIUUXYGBASSLFE-IUODEOHRSA-N	369.487	2.086	10	10	FECE	
CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@@H](C(=O)C(=O)C[C@H]3C[C@H](N)C3)[C@@H]21	2049784448	LUFCXLWSUAYMDX-GLKFPVFTSA-N	350.459	2.288	10	10	FECE	
CN1CCc2cc([C@H](CN)N3C[C@H]4[C@H](NC(=O)OC(C)(C)C)[C@H]4C3)ccc21	2195113570	AKNVEASFGKBPOL-OGWHTMIXSA-N	372.513	2.134	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)CO1	2060608767	LTHFEORCXYMMJD-JHJVBQTASA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2060639816	MDUFCXVQJXVSBN-QWHCGFSZSA-N	353.423	2.314	10	10	FECE	
CN(c1cc2c(cc1N)OCC(=O)N2)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	2106706614	UGMWEYVTUFNOAS-LLVKDONJSA-N	362.430	2.045	10	10	FECE	
COc1ccc(N2CC[C@]3(CN(C(=O)OC(C)(C)C)CCO3)C2)c(N)c1	2106710472	XXAZXUUPSANJOP-LJQANCHMSA-N	363.458	2.494	10	10	FECE	
COc1cc(N(CCO)CCNC(=O)OC(C)(C)C)cc(OC)c1OC	2266405110	ACUVUGAPMIEVFI-UHFFFAOYSA-N	370.446	2.036	10	10	FECE	
CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1ccc(Cl)cc1	2296916414	IWYNAQVDYDYAGD-ZDUSSCGKSA-N	353.831	2.041	10	10	FECE	
Cc1nn(C)c(Cl)c1C=CC(=O)N(C)c1ccccc1S(C)(=O)=O	2298127308	NSVLNQNKYLMNGL-UHFFFAOYSA-N	367.858	2.462	10	10	FECE	
O=C(CSc1nccs1)NCCCS(=O)(=O)Cc1ccccc1	57187934	MQUQYXBZKHCEKD-UHFFFAOYSA-N	370.521	2.357	10	10	FECE	
Cc1ccccc1S(=O)(=O)N1CCN(c2ccc3c(c2)CC(=O)N3)CC1	62575982	WPQTZMTUTLCVDY-UHFFFAOYSA-N	371.462	2.001	10	10	FECE	
COCCNc1nc(C)cc(N2CCN(c3ccc(OC)cc3)CC2)n1	244061141	TYUMGTXXISJOHN-UHFFFAOYSA-N	357.458	2.179	10	10	FECE	
CN(C)c1ccc(C=c2sc3nc(Cc4ccccc4)nn3c2=O)cc1	254369218	TVCULGWQYHXYJW-UHFFFAOYSA-N	362.458	2.356	10	10	FECE	
C[C@@H](C1CC1)n1nccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O	271305246	RMMBMPXZJODVCE-JTQLQIEISA-N	364.427	2.184	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C	287638402	AEQHMSUKHJTVPP-AYHJJNSGSA-N	373.497	2.262	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1ccncc1OC	807178003	HZRNCMWQDZISLC-AWEZNQCLSA-N	371.437	2.412	10	10	FECE	
CCOC(=O)CNC(=O)C1CCN(Cc2cc(Cl)c(F)cc2O)CC1	294274315	ONSREXULCLMQLR-UHFFFAOYSA-N	372.824	2.076	10	10	FECE	
NC(=O)C[C@H]1CCCCN1C(=O)c1csc(Cc2ccc(N)cc2)n1	817927425	GIRZTHHRGFWFNC-CQSZACIVSA-N	358.467	2.186	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCO[C@H](C2CCC2)C1	823524023	NPDPITLINBUPEQ-FQEVSTJZSA-N	373.497	2.358	10	10	FECE	
COc1ccc(N2CCC(NC(=O)[C@H]3CCCN3C(=O)C(C)C)CC2)cc1	726563208	VKJHCUDMXNIPAQ-LJQANCHMSA-N	373.497	2.427	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H](C)c2ccccn2)cc1	827164327	FZBLLIREANUXKF-MRXNPFEDSA-N	368.481	2.464	10	10	FECE	
CN(C)c1ccc(/C=C/CNCCNS(=O)(=O)c2cccs2)cc1	835040198	BMNBALXUXCNECQ-HWKANZROSA-N	365.524	2.395	10	10	FECE	
COCCn1c(-c2sccc2O)nnc1N(C)CC1CCOCC1	1514772498	BWFRSEJOGIYUQB-UHFFFAOYSA-N	352.460	2.221	10	10	FECE	
COc1cc(C)c(C)cc1NC(=O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	850432360	AKAROGZLGQIYKM-CYBMUJFWSA-N	372.421	2.409	10	10	FECE	
CO[C@@H](CS(=O)(=O)NNc1nc2cccnc2s1)C1CCCC1	857224934	AGXDMOYWODIUMJ-LBPRGKRZSA-N	356.473	2.143	10	10	FECE	
COC(=O)c1cc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c(C)o1	855226274	QXUGQNPKXQLGPQ-CYBMUJFWSA-N	358.394	2.392	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)c1cn([C@@H]2CCCNCC2)nn1	852825796	VXMANGJUZLLPKB-MRXNPFEDSA-N	357.458	2.351	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@]4(CCOC4)C3)C2)cc1	852449158	QGEBJTMFLNREMB-OXJNMPFZSA-N	359.470	2.486	10	10	FECE	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@]12CCCC[C@@H]1C2	864937538	SXBAOQYXHGIDPP-APWZRJJASA-N	362.495	2.118	10	10	FECE	
CN(C)c1ccc([C@H](N)CNC(=O)c2cccn(C(C)(C)C)c2=O)cc1	870933502	NQRZMJQGZFSSQB-QGZVFWFLSA-N	356.470	2.099	10	10	FECE	
COC(=O)[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)Cc1cccc(F)c1	779516538	XXANEIUGXQZQGY-LYASGUKUSA-N	373.380	2.398	10	10	FECE	
CCOC(=O)c1n[nH]c([C@@H](C)NC2CCN(c3ccc(OC)cc3)CC2)n1	895233070	KYBNUDZYVGPJEU-CYBMUJFWSA-N	373.457	2.310	10	10	FECE	
Cc1ccc(CNC(=O)C(=O)NCc2ccc(N(C)C)cc2C)c(Cl)n1	897791004	AVQYUFBGRFYESA-UHFFFAOYSA-N	374.872	2.350	10	10	FECE	
OCCN(Cc1cc(Cl)cc(Br)c1O)C[C@@H]1CCCN1	708111896	YIVHTMNGDOLXOT-LBPRGKRZSA-N	363.683	2.354	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C1	2124532041	IFZMFJRFVBYVTG-SUMWQHHRSA-N	367.450	2.440	10	10	FECE	
CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2124505392	KYYLPRFIUVKIMR-KGLIPLIRSA-N	368.482	2.380	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2124509653	OOSTUQUMINJEGU-PBFPGSCMSA-N	365.434	2.314	10	10	FECE	
COc1ccc([C@@H](C)NC(=O)C(=O)N(C)Cc2ccccc2O)cc1F	1323453146	LMTSPMSLGVTPOF-GFCCVEGCSA-N	360.385	2.376	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1(C)C	2124330091	MOXHRDKFCBKISC-HUUCEWRRSA-N	364.442	2.306	10	10	FECE	
[N-]=[N+]=NC[C@@H]1CCCN([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2O)C1	1912202414	GYJZWBXIZMXXKK-ULQDDVLXSA-N	359.430	2.391	10	10	FECE	
CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1	1915256378	YLTZOPRYHXLJQB-ROUUACIJSA-N	372.465	2.013	10	10	FECE	
Cc1cc(C(=O)N2CCC[C@@H](Cc3nn[nH]n3)C2)c(C)n1-c1ccccn1	1520594033	HDAVPYAWROCDQF-HNNXBMFYSA-N	365.441	2.097	10	10	FECE	
CCOCc1nnc(N(C)Cc2ccccc2O)n1C[C@@](C)(O)C1CC1	1616689394	JQEKPIUHBHYOBT-LJQANCHMSA-N	360.458	2.318	10	10	FECE	
COC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)/C=C\c1cnc(C)s1	1544608947	AVMOAPSTKWSERV-XQRVVYSFSA-N	357.391	2.237	10	10	FECE	
Cc1cc(C(=O)NCc2cccc(Cl)c2O)cc(S(N)(=O)=O)c1C	1558757248	WPRJFFOWJCLTML-UHFFFAOYSA-N	368.842	2.240	10	10	FECE	
C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1ccc(N=NC(N)=O)cc1	1634183254	QVYLFYOZMCFGDE-CYBMUJFWSA-N	359.430	2.174	10	10	FECE	
CC(C)C[C@H](CO)N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1565452659	IRTZWORUWCGYKV-RTBURBONSA-N	364.534	2.404	10	10	FECE	
Cn1c(=O)n(CCC(=O)NCc2cc(Cl)ccc2O)c2ccccc21	1583816911	NYNAFSUIDIYTPW-UHFFFAOYSA-N	359.813	2.406	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)NN3C(=O)[C@@H](C)N(C)C3=O)c2C)c1	1585138864	VTHWZJNGKLZPJT-CQSZACIVSA-N	354.410	2.330	10	10	FECE	
CC(C)COC1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1	1685608355	AJCFPJYZAQFOEJ-LJQANCHMSA-N	362.518	2.422	10	10	FECE	
O=C1[C@H](O)C2(CCCCC2)N1C1CCN(Cc2cccc(F)c2O)CC1	169788251	BMRSGLSGJGXMRW-SFHVURJKSA-N	362.445	2.402	10	10	FECE	
CCOc1cccc(/C=C2/SC(=S)N(CCNC(C)=O)C2=O)c1O	1858586597	CJSNTZHWUCCFLP-UKTHLTGXSA-N	366.464	2.128	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@@H](C)c1ccccc1O	1877550249	YIMYKYCHPDZLNF-JGGQBBKZSA-N	364.442	2.451	10	10	FECE	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)nc1NCc1ccccc1	36559177	QELIGPSFLCOCEO-RRFJBIMHSA-N	356.386	2.123	10	10	FECE	
CN(C)c1ccc([C@H](CN)N2C[C@H]3[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1	1882065783	KJTLMYIYPIJTSP-XWTMOSNGSA-N	360.502	2.207	10	10	FECE	
O=C(OCc1ccccc1)N1CC(Cc2cc(O)c(O)c(O)c2)(C(=O)O)C1	1951967179	JCKGGNADCHBOHL-UHFFFAOYSA-N	373.361	2.069	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccccc1O)[C@@H]1CCCO1	1969154045	HUXKDGWPKBGWPI-LSDHHAIUSA-N	350.415	2.081	10	10	FECE	
Cc1cc(NS(=O)(=O)c2nn(C)cc2Br)cc(C)c1O	1970356676	GYVJCFJLOCEOMR-UHFFFAOYSA-N	360.233	2.306	10	10	FECE	
COC(=O)[C@@H](CCN[C@H](C)c1ccccc1O)NC(=O)OC(C)(C)C	2028194960	HBQIHHKTXYAHHY-TZMCWYRMSA-N	352.431	2.499	10	10	FECE	
CCS(=O)(=O)C[C@@H](C)N(C)c1ccc(CN)c(Br)c1F	2170565847	GFABBEZEOWUDDO-SECBINFHSA-N	367.284	2.306	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cccc(O)c1O	762574356	XXOOYYIRCZBVAD-DGCLKSJQSA-N	350.415	2.473	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](C)(NS(=O)(=O)Cc2ccc(N)cc2)C1	2044253819	WUUJXXQOPDJXAU-QGZVFWFLSA-N	369.487	2.088	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CCOc2ccc(N)cc2)CCO1	2106256359	WAOIEMOOXNHEKF-AWEZNQCLSA-N	365.430	2.095	10	10	FECE	
COc1cc(N)c(N2C[C@H](NC(=O)C(F)(F)F)CC[C@@H]2C)cc1OC	2106713940	XSTLRWGHXDNUCO-VHSXEESVSA-N	361.364	2.322	10	10	FECE	
CN1CC2(C1)CN(c1ccc(N)c3c1CCN(C(=O)OC(C)(C)C)C3)C2	2095937192	QWUJBWIAUGAIPR-UHFFFAOYSA-N	358.486	2.314	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N[C@@H]3CCC[C@@H]3N=[N+]=[N-])CO[C@H]1C2	2266161711	UPPSFSUWGGUPDF-UOSRWGBYSA-N	365.434	2.406	10	10	FECE	
O=C(O)CN1C(=O)C(=Cc2ccc(O)c(Br)c2)SC1=S	2293026454	KJRDZNXQXQNIKF-UHFFFAOYSA-N	374.237	2.441	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(C(=O)C2CCCCC2)CC1	180984411	LRCNXLMZYDCRDV-VQHVLOKHSA-N	358.438	2.362	10	10	FECE	
CC(=O)N(C(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(N)cc1	217286363	OCPHBJHWSDRARZ-KRWDZBQOSA-N	366.421	2.132	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@@H]3[C@@H]5O)CC2)cc1	249556221	LYDRUDCVENBPBG-LNARHQNUSA-N	371.481	2.075	10	10	FECE	
CC(C)NC(=O)CNC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	435606660	JPBZTHWOGATOMR-UHFFFAOYSA-N	370.497	2.049	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CCNC(=O)C[C@H]2c2ccccc2)c1O	278265439	QZEZRQYBQSTBBI-INIZCTEOSA-N	371.393	2.372	10	10	FECE	
CC[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)c1nccs1	803662379	VOXLAFJTERMHPF-ZDUSSCGKSA-N	364.446	2.232	10	10	FECE	
COC(=O)[C@H]1CCN(CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)C1	827434447	FYHIHHCDISOEPI-AWEZNQCLSA-N	359.401	2.306	10	10	FECE	
CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCCSc1nccs1	829528641	UXTGMMUJMHZBPN-OZVIIMIRSA-N	355.529	2.274	10	10	FECE	
C[C@@H]1CC[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CS1(=O)=O	821999813	FRPSUDRFEQDXOB-OCCSQVGLSA-N	366.483	2.036	10	10	FECE	
COc1ccc(N2CCC(NC(=O)/C=C(\C)CN3CCOCC3)CC2)cc1	900506965	AFIDZHAMRWHQES-BMRADRMJSA-N	373.497	2.059	10	10	FECE	
CO[C@H]1CC[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	829255987	YBNHDTXGKCUXQC-HOCLYGCPSA-N	350.434	2.218	10	10	FECE	
O=C(Nc1cccc(N2CCOCC2)c1)c1ccc2nc(CO)[nH]c2c1	900298486	YPSPQZLZBYPZCJ-UHFFFAOYSA-N	352.394	2.144	10	10	FECE	
C/C(=C/c1cccnc1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21	846793245	ZGBYHNAMZXWJCO-KAMYIIQDSA-N	371.462	2.325	10	10	FECE	
C[C@H](NC[C@H]1CN(C2CC2)C(=O)O1)c1ccc(N2CCOCC2)c(F)c1	848570456	LJBMMMUOONCKTG-BBRMVZONSA-N	363.433	2.296	10	10	FECE	
CC(C)Oc1cncc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1	847504683	GPDBQLSKRUNFHJ-CYBMUJFWSA-N	371.441	2.146	10	10	FECE	
COc1ccc(N2CC[C@H](N3C(=O)[C@H](CCSC)NC3=S)C2)cc1	849169527	FWVKUXDOKJRPBX-ZFWWWQNUSA-N	365.524	2.112	10	10	FECE	
C[C@@H](NC[C@@H](O)c1ccnn1C)c1cc(Br)cc(F)c1O	927137524	XFPYNXVNVPBBRG-AMIZOPFISA-N	358.211	2.412	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCCCN(C)C3)C2)cc1	858599217	KHKHYZXXJMMKGD-SJORKVTESA-N	360.502	2.305	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H](c3nncn3C)C(C)C)C2)cc1	852324421	STLCTFLBOYAYOU-YOEHRIQHSA-N	372.473	2.099	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@](O)(C2CC2)C1	850653840	UJOPIYFRDYMIOD-OAQYLSRUSA-N	374.481	2.284	10	10	FECE	
CO[C@@H](CS(=O)(=O)NCc1c(O)cccc1F)c1ccc(F)cc1	921450558	ASKHFAJLDUOBDU-INIZCTEOSA-N	357.378	2.478	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1C[C@H](N)CCc2ccccc21	852755444	ODFXNMXFUICUOY-LJQANCHMSA-N	366.509	2.491	10	10	FECE	
CC1(C)C[C@](C)(NC(=O)NCc2cccc(Br)c2O)C(=O)O1	1352148448	CAXIPQXQDMZHBL-HNNXBMFYSA-N	371.231	2.438	10	10	FECE	
COC[C@H](CCNC(=O)NC1CCN(c2ccc(OC)cc2)CC1)OC	852446060	DMPUPEKYXSGGSI-SFHVURJKSA-N	365.474	2.015	10	10	FECE	
CCOC(=O)c1cccc(CN(C)c2ccc(OCC(=O)OC)cc2)n1	862322410	ILCTWBZCFQGIGI-UHFFFAOYSA-N	358.394	2.447	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCN([C@H]3CCC[C@H]3O)CC2)c1	781906379	BWYZTQWEOZZSBP-JKSUJKDBSA-N	369.303	2.494	10	10	FECE	
CC[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H](C)S1(=O)=O	897760514	SSVQQLNNZRMCNC-ONGXEEELSA-N	369.464	2.350	10	10	FECE	
COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)c1cc2cc(O)c(O)cc2s1	898807562	BIKWTTOTSZUEOQ-GHMZBOCLSA-N	365.407	2.105	10	10	FECE	
CSc1ncc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)cn1	1084518445	JQEAZIGBOQGANA-JYRVWZFOSA-N	354.391	2.207	10	10	FECE	
CCOc1cccc(CN[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c1O	1918713201	DGMOPHDSBCKXQA-ZDUSSCGKSA-N	366.458	2.251	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccnc(F)c1F	1162540376	WTGXOOXQHUOTSM-UHFFFAOYSA-N	350.321	2.271	10	10	FECE	
COc1ccc(O)c(CNC[C@@H]2C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)c1	2116204440	BQJFCYSJAOHNQL-NUTKFTJISA-N	366.458	2.155	10	10	FECE	
CC(C)(C)OC(=O)Nc1cc(C(=O)NCCc2ccc(O)c(O)c2)no1	2124316410	MFXULQGFDKUNSS-UHFFFAOYSA-N	363.370	2.405	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3C[C@H](C)O[C@H]3C)CC2)cc1F	1313146682	DHOQFHGLYNVVMR-HEHGZKQESA-N	351.422	2.232	10	10	FECE	
CC1(C)CCCN1C(=O)C(=O)NCc1ccc(N2CCSCC2)cc1	1321638295	DGZUCSNWHSRGAV-UHFFFAOYSA-N	361.511	2.257	10	10	FECE	
CN[C@H](C)CCNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	1348562629	QIRYVHPDZPQATA-QGZVFWFLSA-N	373.545	2.016	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NC[C@H](O)c1ccc(OC(F)(F)F)cc1	1449546883	YRKYLKOGERPXIU-HNNXBMFYSA-N	371.311	2.389	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)C1	1292571916	BMIYXUBTMREYPO-AWEZNQCLSA-N	364.442	2.404	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1(C)C	1299424873	LXPTUMLFKLZDMK-UHFFFAOYSA-N	364.442	2.498	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@]3(O)[C@@H](N)c1ccccc1O	1920058989	GJXDPKOQTWJXQQ-CQBYXGEQSA-N	360.454	2.398	10	10	FECE	
CN(C[C@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1)C(=O)OC(C)(C)C	1620517736	ZQTHQRNELONZEX-CQSZACIVSA-N	364.442	2.498	10	10	FECE	
COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1O	1197455	ZDVPDIRGOFWLED-UKTHLTGXSA-N	354.387	2.232	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)c1cccn1CCN1CCOCC1	1565701694	KSJKJOOIBDOBGZ-UHFFFAOYSA-N	370.497	2.125	10	10	FECE	
CC[C@@H]1C[C@H]1C(=O)N(C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1	1721711662	QXQRLPVPCRPZBV-IUODEOHRSA-N	359.430	2.426	10	10	FECE	
CCN(C)[C@H]1CCN(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	1683504345	QZENXEVZUKRQQV-WMZOPIPTSA-N	360.502	2.257	10	10	FECE	
C[C@@H]([C@@H](C)NCc1cc(Br)cc(F)c1O)S(C)(=O)=O	1970409930	OXUNFXOQPYOLKW-SFYZADRCSA-N	354.241	2.205	10	10	FECE	
COc1ccc(CN[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@H]3CCO[C@H]32)c(O)c1	311309698	XIEWPKIUIWRKIZ-MWQQHZPXSA-N	364.442	2.171	10	10	FECE	
C[C@@H]1C[C@@H](CNC(=O)c2cccc(O)c2O)CN1C(=O)OC(C)(C)C	1148220119	RUYCVQWXVLYSII-NEPJUHHUSA-N	350.415	2.473	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2060633374	MWTOFYOUELRAPY-NWDGAFQWSA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2060615900	UIZHXPYWSLPXJZ-FRRDWIJNSA-N	353.423	2.048	10	10	FECE	
CN(C(=O)OC(C)(C)C)C1(C(=O)N2CCC(CN=[N+]=[N-])CC2)COC1	2060632457	BBTWFSFSHVYYHE-UHFFFAOYSA-N	353.423	2.171	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)COc2ccc(N)cc2)CN(C(=O)OC(C)(C)C)C1	2106257136	GXPNJKPNTAAQOE-HIFRSBDPSA-N	363.458	2.409	10	10	FECE	
CN(C)c1ccc([C@H](O)[C@@]2(C(=O)O)CCN(C(=O)OC(C)(C)C)C2)cc1	2108577395	AVYNMNJXBLHHAW-HNAYVOBHSA-N	364.442	2.498	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-]	2218745719	NRTZNACDEODRQA-YNEHKIRRSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NC(=O)CCOc2ccc(N)cc2)C1	2230683670	MZQZWMVEVBRBQR-YJYMSZOUSA-N	361.442	2.163	10	10	FECE	
CC(C)(C)OC(=O)NCCc1n[nH]cc1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2227024529	JKYWNXWOMBWHQL-LLVKDONJSA-N	363.422	2.392	10	10	FECE	
CCOC(=O)C1=C(C)N(CCOC)C(=O)C1=Cc1ccc(N(C)C)cc1	2294037573	UQPKUFIQGLBPFN-UHFFFAOYSA-N	358.438	2.462	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CC[C@@H](CN=[N+]=[N-])C3)CO[C@@H]1C2	2334200203	LIBDRZBDSNDHMJ-ZBYUQBLASA-N	365.434	2.218	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N3CCO[C@H](CN(C)C)C3)cc2)CC1	117047853	GDPKCKNGXDZDNQ-HXUWFJFHSA-N	374.529	2.395	10	10	FECE	
Cc1cc(C(=O)CN[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc(F)cc1	62658151	KJKSVSCEVMYSLY-HNNXBMFYSA-N	364.442	2.193	10	10	FECE	
O=C(Nc1ccc(N2CCN(Cc3ccccc3O)CC2)nc1)C1CC1	34681516	OJEMJDWAYQHQOB-UHFFFAOYSA-N	352.438	2.458	10	10	FECE	
O=C(NCCN1C(=O)CSC1=S)c1ccccc1Br	49755503	JYSDTRGTFNMGED-UHFFFAOYSA-N	359.270	2.039	10	10	FECE	
Cn1cccc1C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92010989	LJQWCHVBMBMZGM-UHFFFAOYSA-N	352.482	2.487	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N1CCC(C2OCCO2)CC1	254960014	UWWOLPCNDBLYIO-UTCJRWHESA-N	372.465	2.148	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CC[C@H](Cc3ccncc3)C2)cc1	368629810	BJEDXDCGLHAXIS-LJQANCHMSA-N	352.482	2.328	10	10	FECE	
NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C1	817929277	LUSYQIPMHHSAFZ-TZMCWYRMSA-N	358.467	2.090	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2nc[nH]n2)C1	576576332	WIVYSEKJXVVOOI-UHFFFAOYSA-N	366.469	2.185	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)cc1	732234855	FIESSZSKZMABHT-KRWDZBQOSA-N	358.486	2.297	10	10	FECE	
C[C@H]1[C@@H](NC(=O)c2c(F)ccc(O)c2O)CC(=O)N1Cc1ccccc1	831210314	GYERSQSBCSPKEI-FZMZJTMJSA-N	358.369	2.156	10	10	FECE	
CC1(C)OCC[C@H]1NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	838644101	DMWOIFGCXLDREP-OAHLLOKOSA-N	369.412	2.168	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)CCc3ccccc3)C2)cc1	849416627	UEGYZDIPQQSSRX-QGZVFWFLSA-N	360.479	2.436	10	10	FECE	
CCC[C@@H](C)[C@@H](CO)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	844898427	VPZTZXCGENNVNB-RHSMWYFYSA-N	367.465	2.259	10	10	FECE	
COC(=O)c1ccnc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	841407352	BRDGXSJYWSQELW-INIZCTEOSA-N	370.405	2.395	10	10	FECE	
Cn1ccnc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	741262961	YUHVTMXQTZXKGI-UHFFFAOYSA-N	368.359	2.206	10	10	FECE	
Cn1ccc(COC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)n1	754749324	FZELJHPODGHKMC-UHFFFAOYSA-N	361.357	2.135	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H]([C@H]4CCOC4)C3)C2)cc1	852453357	IGRGZKNXODMHGE-IKGGRYGDSA-N	359.470	2.342	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)COc3ccc(C=O)cc3)C2)cc1	855230563	PGKDBCUOEJJQLU-INIZCTEOSA-N	354.406	2.282	10	10	FECE	
Cc1cc(CNC(=O)NCC[C@@]2(O)CCOC2)c(C)n1-c1ccccc1	858584073	LGGVXBMFSYAHJJ-HXUWFJFHSA-N	357.454	2.435	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CC[C@H](Cn3ccnn3)C2)cc1	853457899	ZAKWONHOVGVLGX-KRWDZBQOSA-N	356.474	2.356	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CC(C2CS(=O)(=O)C2)C1	857276249	NGRZERYHIXSDDM-UHFFFAOYSA-N	364.492	2.272	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCO[C@@H](C(F)(F)F)C3)C2)cc1	854300599	WPZJBCXZIDYMCF-IUODEOHRSA-N	373.375	2.247	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCO[C@@H](CC(F)(F)F)C1	852742962	XYWFTSGRZUPXNP-INIZCTEOSA-N	373.419	2.364	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)NCc1ccc3cccnc3c1O)C2	862025201	OSMVAYHDJAOGGY-MAZHCROVSA-N	369.421	2.424	10	10	FECE	
CCOC(=O)c1cccc(CNCc2ccc(N3CCOCC3)cc2)n1	862273401	YMLQJBJFLJEQBD-UHFFFAOYSA-N	355.438	2.385	10	10	FECE	
CC(C)(C)OC(=O)[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1	769467304	SPXSCOBVJAEMGC-SFHVURJKSA-N	362.470	2.066	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1C[C@H]1C1CCOCC1	868132677	MMTQCCYVNNEFLO-RBUKOAKNSA-N	359.470	2.138	10	10	FECE	
COC[C@H](C)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	768272753	UJZBBJVJKIDZOY-INIZCTEOSA-N	360.502	2.053	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)N1CC(CC(F)(F)F)C1	1117373295	LOJCDWDAQGQNJZ-UHFFFAOYSA-N	367.418	2.152	10	10	FECE	
COC(=O)C(C)(C)N1CCN(Cc2cc(Cl)cc(OC)c2O)CC1	779191441	RBLKRVHBZRPAAQ-UHFFFAOYSA-N	356.850	2.123	10	10	FECE	
O=C(O)CN1C(=O)/C(=C/c2ccc(C(=O)O)cc2Cl)SC1=S	783683669	LUXIJIXAWJYRDJ-WTKPLQERSA-N	357.796	2.324	10	10	FECE	
CN(CC(C)(C)S(C)(=O)=O)C(=O)c1cc2cc(O)c(O)cc2s1	897262100	IQIBENJJJDZFKN-UHFFFAOYSA-N	357.453	2.208	10	10	FECE	
COC(=O)c1c(CN[C@@H](CO)C[C@@H]2CCCO2)c2cc(F)ccc2n1C	895748162	KBGOWSCWYZDTFM-KGLIPLIRSA-N	364.417	2.124	10	10	FECE	
COCCNC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S	1135437585	DXFIDWZIQVRSDP-JLHYYAGUSA-N	368.455	2.180	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCCc1ccc2c(c1)OC(F)(F)O2	1144316882	AOLSAQWWUGXTPK-UHFFFAOYSA-N	351.305	2.321	10	10	FECE	
O=C(N[C@H]1C[C@@H](C(=O)NCc2cccc(O)c2O)C1)OCc1ccccc1	1153798688	WASGXUNAHJIELB-IYBDPMFKSA-N	370.405	2.419	10	10	FECE	
CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1	1304264214	RTGCXLNGRCAFIH-CYBMUJFWSA-N	364.442	2.404	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)N3CC[C@H](C(C)C)C3)C2)cc1	1325939077	BXIGWPKMGPYLJA-IRXDYDNUSA-N	373.497	2.142	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1	2132413823	QPBZTINJNYZICM-CMPLNLGQSA-N	366.414	2.179	10	10	FECE	
CC(C)(C)OC(=O)N1CC=C(CNC(=O)c2cc(O)c(O)c(O)c2)CC1	2132403603	LCDAEPSQVVCAAP-UHFFFAOYSA-N	364.398	2.100	10	10	FECE	
O=C(NCCc1cnn(Cc2ccccc2)c1)c1cc(O)c(O)c(O)c1	2132410219	LHMVQKOBBYVRLW-UHFFFAOYSA-N	353.378	2.021	10	10	FECE	
CCNc1cccnc1C(=O)N1CCN(c2ccc(OC)cc2OC)CC1	1348920529	UAXDPPFIPKMHLV-UHFFFAOYSA-N	370.453	2.493	10	10	FECE	
C[C@@]1(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1(F)F	1350682692	RWCOFDSUGPUULO-KRWDZBQOSA-N	351.397	2.065	10	10	FECE	
Cc1cc(CC(=O)N2CC(CO)(CO)C2)c(C)n1-c1ccc(Cl)cc1	1455611930	UEQSKWNOUBWPCA-UHFFFAOYSA-N	362.857	2.103	10	10	FECE	
Cn1c(S)nnc1C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1	1543026508	DWLRLFSTCQXPLS-UHFFFAOYSA-N	373.442	2.286	10	10	FECE	
NC(=O)c1cc(NCc2cccc(Br)c2O)nc(Cl)n1	1612343346	UCYWHBXTXUDWKC-UHFFFAOYSA-N	357.595	2.309	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)N2CC(OCC(F)F)C2)N(C)C)cc1	1471546528	DMNCFHKYCNXBAN-MRXNPFEDSA-N	370.444	2.031	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(F)c3N)cc2)CC1	1632949804	GAPBRQCMFRGNAV-UHFFFAOYSA-N	370.428	2.006	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H](c2ccccn2)C2CC2)c1	1635492675	MGJQWZQHNUOBLN-MRXNPFEDSA-N	361.423	2.040	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H]2C[C@H]2Cc2ccccc2)c1	1648040689	YTVHVFYQHKOQTF-HUUCEWRRSA-N	374.462	2.372	10	10	FECE	
COC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)c1cc2cc(O)c(O)cc2s1	1645093020	WSIGCWIBZILXLD-QWRGUYRKSA-N	365.407	2.153	10	10	FECE	
c1cc(N2CCN(CCCNCc3ccc4c(c3)CCO4)CC2)ccn1	1661195263	OMJAJZOTMTZAGA-UHFFFAOYSA-N	352.482	2.318	10	10	FECE	
Cc1cccc(CNC(=O)[C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)c1O	2139758428	QZSRJMWOZSANGE-HUUCEWRRSA-N	364.442	2.389	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)NCc2nc(C(F)(F)F)no2)c1	1685041759	DUZFVBSTEGLAHV-ZETCQYMHSA-N	360.292	2.363	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3CCc4[nH]c(C)nc4C3)CC2)cc1	161167440	CGKDLEAJQCFYJL-HNNXBMFYSA-N	354.454	2.180	10	10	FECE	
Nc1ccc(OCCCN2CCC(NC(=O)c3cccnc3)CC2)cc1	586048232	ULYNDXAZJAURMV-UHFFFAOYSA-N	354.454	2.327	10	10	FECE	
COC(=O)C1(NC(=O)OC(C)(C)C)CC(NCc2ccc(C)cc2O)C1	1967850950	JPCQKHIJXLDBII-UHFFFAOYSA-N	364.442	2.389	10	10	FECE	
COc1ccc(O)c(CNC[C@@H]2CO[C@@H](CNC(=O)OC(C)(C)C)C2)c1	1967886634	BGATUTNAZQQXEW-CZUORRHYSA-N	366.458	2.420	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O	1968793359	WIESFADWFPLITL-ZOWXZIJZSA-N	352.431	2.186	10	10	FECE	
COc1ccc(O)c(CN=c2cc3n([nH]2)CCN(C(=O)OC(C)(C)C)C3)c1	2149119928	ZYXDTOYEVMFUKP-UHFFFAOYSA-N	374.441	2.382	10	10	FECE	
O=S1(=O)C[C@H]2C[C@@H](NCc3ccc(Br)cc3O)C[C@H]2C1	2161123431	DKGFDRKZTFMPBZ-PTEHBNRSSA-N	360.273	2.068	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNCc2cc(F)ccc2O)C[C@@H]1O	2052655382	CBLRYPFUCCMWBE-PEYYIBSZSA-N	354.422	2.285	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)N1CCC(N=[N+]=[N-])CC1	2060635067	HOZSNVBSJKWDOJ-ZDUSSCGKSA-N	353.423	2.314	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)N(C)CCCN=[N+]=[N-]	2060611529	VHDMJGOMHQKFKZ-OLZOCXBDSA-N	355.439	2.417	10	10	FECE	
O=[N+]([O-])c1cc(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)ccc1CO	2188574601	BKMPBOCDSKALIH-WOJBJXKFSA-N	369.421	2.177	10	10	FECE	
Nc1ccc(NC(=O)CN2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)cc1	2104402938	OJEKQFSHPPYQRF-PXNSSMCTSA-N	350.466	2.414	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(CCC(=O)Nc3ccc(N)cc3)C[C@@H]21	2107820806	VUBOTFIJFZCYCX-QLPKVWCKSA-N	360.458	2.052	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@H]4C[C@]4(CO)C3)ccc(N)c2C1	2090120162	VQBQDZBZLUDVKC-ZUOKHONESA-N	359.470	2.381	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](CNCc2cccc(O)c2O)C[C@@H]2OCC[C@@H]21	2090472381	GJXBCAOMSXPCRA-DZKIICNBSA-N	364.442	2.354	10	10	FECE	
CN1CCc2cc(N3CC[C@H](NC(=O)OC(C)(C)C)[C@H](CO)C3)ccc21	2226801336	BZMFGKICLHGLJC-RDJZCZTQSA-N	361.486	2.391	10	10	FECE	
CC(C)(C)OC(=O)N1CC=C[C@@H]1C(=O)N1CCc2cc(O)c(O)cc2C1	2341200247	AHDUEMXNZKMKMA-CQSZACIVSA-N	360.410	2.158	10	10	FECE	
COc1ccc(O)c(CNCc2c(C(C)C)nn(C)c2N2CCOCC2)c1	114506034	NYGBZIGHHXYXBZ-UHFFFAOYSA-N	374.485	2.384	10	10	FECE	
O=C(O)CCOc1cccc(/C=C2/SC(=S)N(CCCO)C2=O)c1	210569481	ASCFUEIULKCNKR-JLHYYAGUSA-N	367.448	2.124	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(C)OC[C@H]1C(=O)NCc1ccccc1O	1182215063	AXQZKMRUCRSICI-AWEZNQCLSA-N	364.442	2.423	10	10	FECE	
O=S(=O)(C(F)F)[C@@H]1CCN(Cc2cccc(Br)c2O)C1	2368710549	UXJJQXKPOXGKGS-SECBINFHSA-N	370.215	2.366	10	10	FECE	
O=C1COC[C@H](C[C@H]2CN(C(=O)/C=C/c3cccnc3)c3ccccc32)N1	377467339	GGWCGXQIAWNFLS-FNQZAJIHSA-N	363.417	2.130	10	10	FECE	
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1ccccc1O	383911366	FNNAWURBMBFQLJ-UHFFFAOYSA-N	352.368	2.130	10	10	FECE	
C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C1CCCC1	805804728	DIPCKQZKSBCINO-MRXNPFEDSA-N	373.497	2.177	10	10	FECE	
CCN(CC)c1ccc(CN[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1F	800308908	DSOUAGPYCKRIBH-NVXWUHKLSA-N	371.522	2.479	10	10	FECE	
Cc1ncccc1NC(=O)C(=O)NCc1cc(Br)ccc1O	807385982	YWJZYWNQZXUIFA-UHFFFAOYSA-N	364.199	2.113	10	10	FECE	
CO[C@H]1COCC[C@@H]1CC(=O)NCc1ccc(N2CCSCC2)cc1	822586631	VNRADFSKJGQPFQ-AEFFLSMTSA-N	364.511	2.298	10	10	FECE	
COCc1nc([C@@H]2COCCN2C/C=C/c2ccc(N(C)C)cc2)no1	835043958	DQCAGJXVJQURKA-BDUNBXCCSA-N	358.442	2.369	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)NCc1ccc2c(c1)CNC2	588536904	RQEGZBUYBMCZBB-YWEYNIOJSA-N	363.461	2.456	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3C[C@@H]4[C@H]5C=C[C@@H](CC5)[C@H]4C3)nc12	830854664	DZVZMKNOGMASOX-WRFANHODSA-N	368.437	2.256	10	10	FECE	
O=C(CC1(O)CCOCC1)Nc1c(-c2ccccn2)nc2ccccn12	908274908	GIGFPYJUEWKWOH-UHFFFAOYSA-N	352.394	2.266	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3CC[C@H]4C[C@H]4C3)CC2)cc1	834699171	XMSILTXNKJFVGC-YQQAZPJKSA-N	371.481	2.085	10	10	FECE	
C[C@@H](NC(=O)N1CCC[C@@]2(CCNC2)C1)c1ccc(N2CCOCC2)cc1	841739952	CPNCKKNSLPPQSV-UTKZUKDTSA-N	372.513	2.369	10	10	FECE	
CN1CCN(c2ccnc(-c3noc(Cc4ccc(N)cc4)n3)c2)CC1	843210138	VETMJPNHYOVVFU-UHFFFAOYSA-N	350.426	2.056	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCCc4n[nH]cc4C3)C2)cc1	852986776	KNPNQBNYGFALDX-OAHLLOKOSA-N	355.442	2.155	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CNC(=O)c3ccccc32)cc1	862128303	FBJBPNNPGCRSGM-LJQANCHMSA-N	367.449	2.117	10	10	FECE	
COc1ccc(N2CCN(CCCN[C@H]3CN(C4CC4)C[C@@H]3C)CC2)cc1	764682779	HVVLGXVTEDUICC-AVRDEDQJSA-N	372.557	2.280	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC[C@@]1(O)CCOC1	862128602	HOLKICKSIDZTAY-HXUWFJFHSA-N	356.422	2.178	10	10	FECE	
CCOC(=O)[C@@H](CCOC(C)(C)C)NC(=O)/C=C\c1ccc(O)c(O)c1	779544349	LITKVIGPHBTVJG-IUCKJTJTSA-N	365.426	2.364	10	10	FECE	
COc1ccc(N2CCC(NC(=O)c3ccc4ncn(C)c4n3)CC2)cc1	1136546448	IWGRILGHYBKDPD-UHFFFAOYSA-N	365.437	2.376	10	10	FECE	
CNC(=O)N[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1	1138110264	WYALEEOHZUAMFV-OAHLLOKOSA-N	370.453	2.246	10	10	FECE	
Nc1c(C(=O)OCc2ncccn2)ccc2c1C(=O)c1ccccc1C2=O	791265905	KJBUNTNBNREEJL-UHFFFAOYSA-N	359.341	2.191	10	10	FECE	
C[C@H](NC(=O)CCCn1cnc2c(N)ncnc21)c1ccc(N(C)C)cc1	1154669163	SPUUGYFHDRGYRC-ZDUSSCGKSA-N	367.457	2.132	10	10	FECE	
C[C@H](N[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)c1c(O)cccc1O	2121676444	YUHXTOOGVHDTCV-BCUIYNNISA-N	364.442	2.383	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCc2ccccc2O)OCC12CC2	2127535915	ROECHTMCOLORPP-HNNXBMFYSA-N	362.426	2.177	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C	2124351388	XVERSWYUEZXZEM-BPLDGKMQSA-N	364.442	2.451	10	10	FECE	
CN(C)C1CCN(c2ccc(NC(=O)Cc3ccc(O)c(O)c3)nc2)CC1	1445565698	GRFWBPHFWLWLRU-UHFFFAOYSA-N	370.453	2.204	10	10	FECE	
O=C(Nc1ccc(S(=O)(=O)NCC2CC2)cc1)c1cccc(O)c1O	1629069496	IEXFIHYBLRGTJN-UHFFFAOYSA-N	362.407	2.038	10	10	FECE	
COCC[C@](C)(O)Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1O	1712327822	WWCQRSKTXOTITH-FQEVSTJZSA-N	374.485	2.360	10	10	FECE	
CCO[C@H](CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)CN(C)C	1686826460	IRJMHHLWCKUTQD-VQIMIIECSA-N	364.534	2.258	10	10	FECE	
COCCCN[C@@H]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1	1691680924	MRZKKFMYFGCEAX-XJKSGUPXSA-N	361.446	2.374	10	10	FECE	
CCN(CC)CCNC(=O)c1ccc(NN=NC[C@@H](C)NC(C)=O)cc1	1860488766	JNQRGYYOVCXQMO-CQSZACIVSA-N	362.478	2.062	10	10	FECE	
C[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CC(CO)C1)c1ccccc1O	1879545020	RDRGXOPNRLTFSB-GLIABKTBSA-N	364.442	2.235	10	10	FECE	
COc1ccc(Br)c(CNCC2CC3(C2)OCCO3)c1O	1964077169	NHRKGXDGAZQFHY-UHFFFAOYSA-N	358.232	2.406	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H]3[C@H](C2)C3(F)F)N(C)C)cc1	899097842	HUZOYLKERLBDNP-XHSDSOJGSA-N	352.429	2.262	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1	269213773	PDXZAYSCEPKOCZ-CYBMUJFWSA-N	350.415	2.014	10	10	FECE	
NCc1ccc(N2CC[C@@]3(CCCS3(=O)=O)C2)c(Br)c1	709576994	XLMAVRWNKXNBTF-AWEZNQCLSA-N	359.289	2.065	10	10	FECE	
COc1cc(C)c(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC	13546914	MUIQLMHKYMTGGE-ZROIWOOFSA-N	358.394	2.417	10	10	FECE	
C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)c1c(O)cccc1O	2063347564	BEMYQBGMKQLZBS-XQQFMLRXSA-N	352.431	2.119	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COC[C@H]1CC(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2067675495	ARXHLYBESHHNHF-UPJWGTAASA-N	353.423	2.218	10	10	FECE	
CN[C@@H](c1ccc2c(c1)CCCN2C)C1(O)CN(C(=O)OC(C)(C)C)C1	2106948407	PYNVYDZAWQAMNW-KRWDZBQOSA-N	361.486	2.311	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])CC1	2218735933	SUUHXXMXYWJDKL-NWDGAFQWSA-N	353.423	2.096	10	10	FECE	
C[C@@H](NCCn1cc(CNC(=O)OC(C)(C)C)nn1)c1ccccc1O	2271502076	VHXARZZRSSBJKV-CYBMUJFWSA-N	361.446	2.359	10	10	FECE	
CC(C)(C)OC(=O)NCc1cn(CCN[C@@H]2CCc3cccc(O)c32)nn1	2287094050	LLXFCFONSPNQSL-OAHLLOKOSA-N	373.457	2.286	10	10	FECE	
COc1cc(C)c(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(OC)c1	2297335167	RKORXXRWWWDZTE-UHFFFAOYSA-N	370.361	2.267	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@](N)(c2ccc3c(c2)CCN3C)C1	2344478340	DSBVLUHPJILECB-OXJNMPFZSA-N	361.486	2.489	10	10	FECE	
COc1ccc(N2CCCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)cc1	302018208	ZNYLORWOXZHFOU-UHFFFAOYSA-N	368.397	2.363	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCCC[C@@H](N3CCN(C)CC3)C2)c1O	182894694	PGMNWRRVHLAALR-GOSISDBHSA-N	363.477	2.336	10	10	FECE	
Cc1cc(C(=O)N2CCN(CCO)[C@H](C)C2)c(C)n1-c1ccc(F)cc1	188757186	PZEMLXQTVLDEQO-OAHLLOKOSA-N	359.445	2.372	10	10	FECE	
C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCCO1	80010746	FWQCCAMVECBNIM-UGSOOPFHSA-N	365.449	2.154	10	10	FECE	
CC[C@@H]1CN(Cc2cccc(Br)c2O)CCN1C[C@H](C)O	245757040	OWWTYNKFRNWNQG-GXTWGEPZSA-N	357.292	2.432	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)N(C)[C@H]3CCOC3)cc2F)C[C@@H](C)O1	264442780	WXEDOLXWSSGXTG-LZWOXQAQSA-N	365.449	2.370	10	10	FECE	
OCC1([C@H](NCc2ccc(N3CCOCC3)cc2)[C@H]2CCCO2)CCC1	367960153	XIIOTMICVUNNHV-WOJBJXKFSA-N	360.498	2.323	10	10	FECE	
Cc1ccc(CN(C)C(=O)CSCC(=O)O)c(O)c1Br	2380808536	KZJNBTIMSAAMSF-UHFFFAOYSA-N	362.245	2.239	10	10	FECE	
C[C@H](N[C@H]1CCC(=O)N(C)C1=O)c1cc(Br)cc(F)c1O	818362044	OSNLOVNVMBSFOE-CPCISQLKSA-N	359.195	2.092	10	10	FECE	
Cn1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(Cl)n1	825492340	BKMWDCCGDPINJE-UHFFFAOYSA-N	362.861	2.212	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCC(CNS(C)(=O)=O)CC2)cc1	835052006	JRPVSYLWRDCAOB-SNAWJCMRSA-N	351.516	2.027	10	10	FECE	
COc1ccc([C@H]2[C@@H](C(=O)NCc3ccccc3O)CC(=O)N2C)cc1	734864012	ZUCUVTUIUMNWRR-LPHOPBHVSA-N	354.406	2.237	10	10	FECE	
CCOC1(C)CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1	838739074	JGDVLAMGEPNDHN-UHFFFAOYSA-N	369.412	2.122	10	10	FECE	
Cc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)oc1C(=O)O	911131349	NQGCDKDFSUPQBH-UHFFFAOYSA-N	358.394	2.395	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@]3(Cl)C[C@H]4CC[C@H]3O4)C2)cc1	912292637	NQFOJVAGLNTMGQ-YMCQQKJTSA-N	350.846	2.319	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)NCC[C@@]3(O)CCOC3)c2C)cc1	846443778	DIYMMQVMTVQFNU-HXUWFJFHSA-N	358.438	2.374	10	10	FECE	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCO[C@H]1CC1(F)F	849360049	KHRJUYUCAULVMY-LBPRGKRZSA-N	360.744	2.234	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@H]3CO[C@H](C4CC4)C3)CC2)cc1	858911618	LWNSXMPNSOUSCW-APWZRJJASA-N	359.470	2.484	10	10	FECE	
C[C@H](NC(=O)NC1C[C@@H]2CC[C@H](C1)S2(=O)=O)c1ccc(N(C)C)cc1	922053567	FHEGWFXUYWZKKG-IICXIOTHSA-N	365.499	2.221	10	10	FECE	
C[C@@H](O)[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1	853474094	GOPSSBISZAUHJR-OXQOHEQNSA-N	369.465	2.445	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c(C)nn(C)c1-n1cc(C)cn1	935947701	CCBSKJQLYGSIQR-UHFFFAOYSA-N	374.441	2.344	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CC[S@](=O)C[C@H]2c2cnn(C)c2)cc1	895381965	YLFPVSKTAAZOLB-SMNFLQMGSA-N	358.511	2.305	10	10	FECE	
Cc1ccc(C(=O)NCc2cc(F)ccc2CS(C)(=O)=O)c(O)c1O	1148850520	FYDGBBJENKXQLX-UHFFFAOYSA-N	367.398	2.020	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@H]2NC(=O)c2ccc(O)c(O)c2)C1	2118175824	LVUFWUAFMSFMAE-BFHYXJOUSA-N	362.426	2.473	10	10	FECE	
CC(C)(C)OC(=O)N1Cc2[nH]cnc2C[C@@H]1C(=O)NCCCCN=[N+]=[N-]	2124510877	CDIHBFKBGMVFKF-CYBMUJFWSA-N	363.422	2.278	10	10	FECE	
COC(=O)c1c(CNCc2ccnc(N(C)C)n2)c2cc(F)ccc2n1C	1331995625	RRGZBGWSBPSHHU-UHFFFAOYSA-N	371.416	2.250	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1c2ccccc2CC[C@H]1F	1262147038	LQJXDMYYEVODSD-SJLPKXTDSA-N	356.397	2.492	10	10	FECE	
COCCn1cc(NC(=O)NCc2cccc(Cl)c2O)ccc1=O	1340603484	SIGHHLIYAWUFJJ-UHFFFAOYSA-N	351.790	2.175	10	10	FECE	
CCCN(C(=O)c1cc(O)c(O)c(O)c1)C1CN(C(=O)OC(C)(C)C)C1	2132402828	FQGZWAYRXMADHP-UHFFFAOYSA-N	366.414	2.275	10	10	FECE	
COC1(OC)CC(CNC(=O)NCc2cc(Br)ccc2O)C1	1346360377	MTLIHZXOHRCQDT-UHFFFAOYSA-N	373.247	2.353	10	10	FECE	
Cc1ccc(OCCN(C)C(=O)C(=O)N2Cc3cccc(O)c3C2)cc1	1348574007	NKGYNGXMOJLTQK-UHFFFAOYSA-N	354.406	2.080	10	10	FECE	
C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)[C@@H]1C[C@H]1C1CC1	1502911411	LHPWCOXGVBAUGN-NZVBXONLSA-N	357.414	2.130	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)N3CCC[C@H]3C(F)F)cc2)CC1	1519622379	WJVFJDHQJKUMJA-INIZCTEOSA-N	352.429	2.378	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(=O)c2ccccc2n1C	1624954837	KZDQQISVJGBNSC-LBPRGKRZSA-N	352.390	2.311	10	10	FECE	
C[C@@H](CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cnn(C)c1	1634424069	RZVLBQCUWDFOGP-AWEZNQCLSA-N	374.460	2.330	10	10	FECE	
Cn1cc([C@H]2C[C@@H](NC(=O)c3ccc(N=NC(N)=O)cc3)CCO2)cn1	1569692049	CFIBLIDDBNVMKH-LSDHHAIUSA-N	356.386	2.233	10	10	FECE	
O=C(N[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1)c1ccccc1	1565977658	CDTGJTSMJSGTCE-MRXNPFEDSA-N	354.406	2.061	10	10	FECE	
Cc1cc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc(Cl)n1	1651106464	CUDLXRFWDHCFKD-UHFFFAOYSA-N	369.830	2.051	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCC[C@]2(CO)c2ccccc2)cc1	1655900375	WNSBMKOOGOGNMU-QFIPXVFZSA-N	367.493	2.352	10	10	FECE	
CCc1nnc(N(C)C[C@H](C)C(=O)NC)n1Cc1ccc(N(C)C)cc1C	1744537174	IQDHSVFSHNTYFG-HNNXBMFYSA-N	372.517	2.082	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c(C(=O)NC(C)C)nnc1N(C)C1CC1	1693005300	VGKULKNAEFXHLV-UHFFFAOYSA-N	370.501	2.438	10	10	FECE	
O=S1(=O)CC[C@@H]1CNCc1cc(Cl)cc(Br)c1O	1972340426	WGQJIBZENGFGOX-SECBINFHSA-N	354.653	2.085	10	10	FECE	
CC(C)(C)OC(=O)NCC(F)(F)CC(=O)NCCc1ccc(O)c(O)c1	845832604	FHAAJFROIAATOS-UHFFFAOYSA-N	374.384	2.307	10	10	FECE	
CCN(C)C[C@@H](O)CN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1	2044688239	FEHVBOXYELGSAI-QGZVFWFLSA-N	351.491	2.460	10	10	FECE	
CCN1CCc2cc([C@@H](NC)C3(O)CN(C(=O)OC(C)(C)C)C3)ccc21	2106851468	UEDPIGLLQJUWLA-QGZVFWFLSA-N	361.486	2.311	10	10	FECE	
CN(Cc1ccccc1O)C(=O)c1c[nH]nc1CNC(=O)OC(C)(C)C	2227022431	MDHJNWKYCHRPNO-UHFFFAOYSA-N	360.414	2.412	10	10	FECE	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(O)c(O)cc2C1	2318654422	KTPXTSBAXGNZIP-ZDUSSCGKSA-N	350.415	2.286	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCc2cc(O)c(O)cc2C1	2341202258	SIHVGOFQRFJKGU-AWEZNQCLSA-N	362.426	2.382	10	10	FECE	
Cc1ccc(CNN(C)S(=O)(=O)C(C)C)c(O)c1Br	2352945069	QIDZRXMTAGMHGE-UHFFFAOYSA-N	351.266	2.138	10	10	FECE	
C[C@H](NC(=O)N1CCN(C2CC2)CC1)c1ccc(N2CCOCC2)cc1	105194082	MWLZBVDSJKELHJ-INIZCTEOSA-N	358.486	2.074	10	10	FECE	
NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1	78575061	QLNCRPGMGFXRSE-JXMROGBWSA-N	351.406	2.274	10	10	FECE	
CC(C)(C)OC(=O)N1CC=C[C@@H](C(=O)N2CCc3cc(O)c(O)cc3C2)C1	2366906034	KQFDQWDNWJMSKU-CQSZACIVSA-N	374.437	2.406	10	10	FECE	
CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)NCc1ccc(N2CCCC2)cc1	284118324	TVEFYGVVILDABJ-WMZOPIPTSA-N	363.502	2.244	10	10	FECE	
CC(=O)C(=O)COC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1	808544967	LAKBZLAWBUQJFY-UHFFFAOYSA-N	367.427	2.006	10	10	FECE	
C[C@H](NC(=O)C(=O)N1CC(Cc2ccoc2)C1)c1ccc(N(C)C)cc1	1351362576	ITHJKDNUDMFWGP-AWEZNQCLSA-N	355.438	2.224	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cc(F)cc(F)c2F)cc1	815328660	CFORQMLRUUYCAZ-UHFFFAOYSA-N	351.328	2.425	10	10	FECE	
Cc1cc(C(=O)Cn2nnn(C3CC3)c2=O)c(C)n1-c1ccc(Cl)cn1	829606643	MTBZLPOGRAWIQG-UHFFFAOYSA-N	372.816	2.114	10	10	FECE	
Cc1cc(CC(=O)N2CCS(=O)(=O)[C@@H](C)C2)c(C)n1-c1ccccc1	828283911	MCZQCZVFPDTOND-HNNXBMFYSA-N	360.479	2.282	10	10	FECE	
CN(C)c1ccc(CN(Cc2cnnn2[C@H]2CCCNC2)C2CC2)cc1	903879739	IHRTUWJPIPOQEP-IBGZPJMESA-N	354.502	2.433	10	10	FECE	
C[C@H](NC[C@H]1CCCCN1CCO)c1ccc(N2CCOCC2)c(F)c1	834851192	VQBFTFGOYLRQKE-FUHWJXTLSA-N	365.493	2.160	10	10	FECE	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccnc2[nH]cnc12	837708434	KICADULSMSBIMQ-UHFFFAOYSA-N	373.363	2.003	10	10	FECE	
COC[C@@](C)(O)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	838638348	UVXYSJLCGIFSTJ-IBGZPJMESA-N	351.491	2.460	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)c1nccc2c(O)ncnc12	848643064	GWOVYCIQLMYTQU-UHFFFAOYSA-N	351.410	2.203	10	10	FECE	
CCNCc1ccccc1NC(=O)C(=O)N[C@@H](C)c1cc(OC)ccc1O	841029822	BATMZLBYNFATBZ-ZDUSSCGKSA-N	371.437	2.326	10	10	FECE	
CC(C)N1CCN(CCCC(=O)NCc2ccc3cccnc3c2O)CC1	911263270	WNOWYWDMEARVTQ-UHFFFAOYSA-N	370.497	2.363	10	10	FECE	
CCOCc1cc(CN[C@H]2CCN(C3CCOCC3)C2=O)ccc1OC	747622800	YOEXMGOIZBZDLL-SFHVURJKSA-N	362.470	2.101	10	10	FECE	
C[C@@H](NC(=O)C(=O)NCC1(N)CCCCCC1)c1ccc(N(C)C)cc1	842202733	KXSJXAAXMMPQHB-OAHLLOKOSA-N	360.502	2.098	10	10	FECE	
CN(Cc1ccccc1O)C(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1	927334531	OEPODGFYNLLRAJ-CYBMUJFWSA-N	351.403	2.085	10	10	FECE	
CC[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCO1	852385020	JHPMOYIQWHATBL-LPHOPBHVSA-N	361.486	2.405	10	10	FECE	
CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NCc1c(O)cccc1F	928708990	UTIUUHIENKKEBI-NSHDSACASA-N	356.394	2.077	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CC[C@H]3NC(=O)CC[C@H]3C2)c1O	853554480	AYNJLPKQANZNEA-KBXCAEBGSA-N	368.433	2.433	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CNCC3(C)C[C@H]4C[C@@H]4C3)CC2)cc1	863581976	IKUVLPSLZDSILW-QWFCFKBJSA-N	373.541	2.204	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N(C)[C@H]3C[C@@H](C(N)=O)C3)c2C)cc1	863360455	PVKYUQATVLQINS-FZNQNYSPSA-N	355.438	2.439	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)C3(CF)CCC3)CC2)cc1	1118271011	SLWAHUGZZYWZMV-UHFFFAOYSA-N	363.477	2.463	10	10	FECE	
COc1ccc(N2CCCN(S(=O)(=O)c3ccc(C)o3)CC2)cc1	773286665	UDSFQNCOXYVSES-UHFFFAOYSA-N	350.440	2.498	10	10	FECE	
CCn1nc(C)cc1C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O	777827948	FSRJWQAOTSVIBS-UHFFFAOYSA-N	365.817	2.386	10	10	FECE	
C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@H](O)c1ccc2c(c1)OCO2	787743962	VCQZYBXYRFYDSU-CHSJPXGHSA-N	357.362	2.078	10	10	FECE	
COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)NCc3cccc(Cl)c3O)[C@@H]2C1	897746647	QWGVNFAHQSJQHU-BYNQJWBRSA-N	352.818	2.433	10	10	FECE	
CCc1ccc(N(CC(C)C)C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)cc1	794128656	WXCXXSGMSIMPQP-XFXZXTDPSA-N	369.465	2.349	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C1(N)CCN(Cc2ccccc2)CC1	693855408	XZBXHGUGCVFWBN-UHFFFAOYSA-N	353.466	2.344	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)Cc1ccc(O)c(O)c1	1155845642	NAXBRVFHUBGCNV-TZMCWYRMSA-N	364.442	2.260	10	10	FECE	
COc1ccc(N(C)CCOCCN2C(=O)c3ccccc3C2=O)cc1	1307905316	NIFAXUSGDAPHIR-UHFFFAOYSA-N	354.406	2.444	10	10	FECE	
CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2124517722	ONSCJGNGLXDKRY-HZSPNIEDSA-N	367.450	2.417	10	10	FECE	
Cc1cccc(CN2CCO[C@H](CNC(=O)c3cccc(O)c3O)C2)c1	1171793304	KNOCERAPFOWZMQ-MRXNPFEDSA-N	356.422	2.037	10	10	FECE	
O=C1c2ccccc2C(=O)N1CCCN1CCc2cc(O)c(O)cc2C1	1902003440	LJAIFCXSCJKHOE-UHFFFAOYSA-N	352.390	2.142	10	10	FECE	
CCCN[C@H](c1ccccc1O)[C@]1(O)COC[C@@H]1NC(=O)OC(C)(C)C	1922616477	CFBXCWQSDNDTFC-FCEWJHQRSA-N	366.458	2.088	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C1CC1	1544348185	MMAYETJVTPJQMR-CYBMUJFWSA-N	350.415	2.060	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)c1ccc(I)cn1	1622643474	PLNDYVJSCQRKDH-UHFFFAOYSA-N	370.146	2.027	10	10	FECE	
CC(C)N1CCC[C@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	1630549947	DWEQJYOVGXMXMM-KRWDZBQOSA-N	363.477	2.399	10	10	FECE	
CC[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)NCc1ccc(OC)c(C)c1	1567968807	LEMGKQZXFGYZGT-UQZPWQSVSA-N	358.482	2.411	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N=[S@@](C)(=O)C2CCCCC2)c1	1645101957	WMDJKLNSOVNBPU-QHCPKHFHSA-N	374.484	2.334	10	10	FECE	
O=C(NC1CSC1)c1cc(NS(=O)(=O)c2cccs2)ccc1O	1645174183	GEQHXWVJQDMMHA-UHFFFAOYSA-N	370.477	2.100	10	10	FECE	
COc1ccc(N(CCN2C(=O)CNC2=O)Cc2ccccc2)cc1OC	1655148165	JOOKQRVSHBMSSG-UHFFFAOYSA-N	369.421	2.262	10	10	FECE	
CN1CC[C@@H]2[C@H](CCCN2C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1	157105061	SYFRBVSCXOUCRD-HHGHRULOSA-N	369.509	2.479	10	10	FECE	
C[C@@H](c1ccccn1)N1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	155781917	PCSROAPNLAZUGQ-VFADXPBXSA-N	353.422	2.411	10	10	FECE	
Cc1ccc(O)c(CNCc2c(I)cnn2C)c1	865868644	TTWOXAKJJZVFGR-UHFFFAOYSA-N	357.195	2.329	10	10	FECE	
COC(=O)C1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1	1876669779	VAHYAUORIJLDQR-UHFFFAOYSA-N	361.442	2.171	10	10	FECE	
N[C@@H]1C(=O)Nc2cc(N3CC(C(F)(F)F)C3)c(Br)cc21	2152305693	AEJUMSYJOKEBMU-JTQLQIEISA-N	350.138	2.400	10	10	FECE	
CCc1cnn(Cc2c(O)cc(O)cc2O)c1I	2070266764	RYZYQWYQWRKGRA-UHFFFAOYSA-N	360.151	2.215	10	10	FECE	
CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NC(=O)CCc1ccc(N)cc1	2044649653	CQIQRFZPYXMTFS-RUZDIDTESA-N	369.487	2.351	10	10	FECE	
COc1cc(Cl)cc(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1O	2062452870	ZKDRJEKQHHDNSP-CHWSQXEVSA-N	372.849	2.124	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)[C@H](CCO)NC(=O)OC(C)(C)C	2073136649	WQPLXAVXGYYIPQ-OCCSQVGLSA-N	352.431	2.187	10	10	FECE	
C[C@@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)Cc2ccc(N)cc2)C1	2106735360	YGLAPMGPGHENSY-BXUZGUMPSA-N	357.376	2.117	10	10	FECE	
CCN1CCc2cc([C@]3(N)COCCN(C(=O)OC(C)(C)C)C3)ccc21	2106844726	VXJPGONCJYBDPR-HXUWFJFHSA-N	361.486	2.490	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1C(=O)c1ccc(O)c(O)c1	2278884439	OBMHRCDETVFKLP-NSHDSACASA-N	372.368	2.472	10	10	FECE	
O=C(O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2cccs2)SC1=S	2296883139	OXDIHLMKSUYKGI-QMMMGPOBSA-N	357.434	2.267	10	10	FECE	
CNC(=O)c1cncc(C=CC(=O)NCc2ccc(N3CCCC3)cc2)c1	2297525381	NUPJHZXHWODLRE-UHFFFAOYSA-N	364.449	2.371	10	10	FECE	
CC[C@@H](Oc1ccc(C=C2SC(=S)NC2=O)cc1OC)C(=O)O	2314931528	GTPZYFACWNAGDJ-SECBINFHSA-N	353.421	2.426	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCc2cc(O)c(O)cc2C1	2341196462	HBWCEACYGGHCHC-ZBEGNZNMSA-N	362.426	2.238	10	10	FECE	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCOCC2)s1	102725531	HLVHMIBPZLPWJB-QINSGFPZSA-N	355.419	2.046	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3CC[C@H](N4CC=CC4)C3)CC2)cc1	174606599	WKAWYYSCRIOOFF-IBGZPJMESA-N	370.497	2.320	10	10	FECE	
CCOC1CC(CNCc2ccc3c(c2)CCN3C)(N2CCOCC2)C1	195460381	ICYGHBQLIAJDKZ-UHFFFAOYSA-N	359.514	2.038	10	10	FECE	
C[C@@H]1CN([C@H](CNC(=O)c2cccc(O)c2O)c2cccs2)CCO1	248765448	RPCUGRCLTGZIRH-TZMCWYRMSA-N	362.451	2.351	10	10	FECE	
Cc1ccc(CN(C)C2CCS(=O)(=O)CC2)c(O)c1Br	2380730599	FQHGFROBVWLIQT-UHFFFAOYSA-N	362.289	2.472	10	10	FECE	
CC(C)[C@](C)(CO)NC(=O)NCc1ccc(N2CCSCC2)cc1	812005523	HQSBGWPWOFYXDJ-SFHVURJKSA-N	351.516	2.446	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H]4C[C@H]43)cc2)C1	822936435	AWGGSFHIOKDUJM-PSBWJHGTSA-N	355.482	2.441	10	10	FECE	
CC1(C)CN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@@H]2COC[C@H]2O1	844888271	SURCOOZYVMMCAI-QZTJIDSGSA-N	359.470	2.375	10	10	FECE	
Cc1ccc(C(=O)N[C@@H](Cc2ccncc2)C(=O)OC(C)(C)C)c(O)c1O	848363735	KAAIVCKPIFWZSE-HNNXBMFYSA-N	372.421	2.484	10	10	FECE	
COC(C)(C)[C@H](C)NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	922822612	IYILRSCPCSHFAX-LBPRGKRZSA-N	371.428	2.414	10	10	FECE	
OC1CCN(c2ccc(CNC[C@H]3CCC4(CCOCC4)O3)cc2)CC1	922807074	AAEPCYQRZTXUMX-HXUWFJFHSA-N	360.498	2.466	10	10	FECE	
C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H](CC(F)(F)F)O1	852741780	KBGJLXFDKINTHO-CJNGLKHVSA-N	373.419	2.411	10	10	FECE	
CN(C)C(=O)N(C)[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1	851988513	ZXVYUAGBTHEPOT-SFHVURJKSA-N	373.501	2.184	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3nc(C(F)F)no3)C2)cc1	923185203	OGEPEELTGLQIGF-SNVBAGLBSA-N	367.356	2.094	10	10	FECE	
COc1ccc(CNC(=O)c2ccc(CNC(=O)C(F)(F)F)o2)c(O)c1	861490770	ZIZOKZHPECUCFT-UHFFFAOYSA-N	372.299	2.102	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cccn(C4CC4)c3=O)C2)cc1	869228236	FNSUVZUNDZWIEA-AWEZNQCLSA-N	353.422	2.201	10	10	FECE	
C[C@@H]1C[C@@H]1c1noc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)n1	865909100	XFJXDPBGRBZHSB-DYVFJYSZSA-N	370.453	2.332	10	10	FECE	
CC(C)(O)CCOC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O	765392928	NSZROTFGURUZFQ-UHFFFAOYSA-N	353.374	2.362	10	10	FECE	
Cc1cc(C(=O)N2[C@H]3CC[C@@H]2CC(=O)N(C)C3)c(C)n1-c1ccccn1	899842674	ILCWRGHSBNUNOA-CVEARBPZSA-N	352.438	2.324	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)OC)c1O	793643991	PDMARANIWBPMAI-QLPKVWCKSA-N	355.390	2.183	10	10	FECE	
COc1ccc(CNCCOCCN(C)C(=O)OC(C)(C)C)c(O)c1	705914100	LPEWIDMALXYYFM-UHFFFAOYSA-N	354.447	2.374	10	10	FECE	
CC(C)(NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(F)F	792045362	SHSFKFYRMDPWLX-ZDUSSCGKSA-N	368.428	2.231	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2cc(F)ccc2[nH]c1=O	1154024790	DLTDYTRGWAQNKQ-SNVBAGLBSA-N	356.353	2.439	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1CCCOC[C@@H]1CCOC1	1304794464	KHMPLYTVWANGCE-INIZCTEOSA-N	360.458	2.372	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOCC[C@H]1C(=O)NCc1ccccc1O	2124289872	RRUYEFXCVDENAA-HUUCEWRRSA-N	364.442	2.328	10	10	FECE	
C[C@H](CNC(=O)C(=O)NCCCSc1nccs1)c1ccncc1	1332601945	RXNVNTQKMYPYAC-GFCCVEGCSA-N	364.496	2.056	10	10	FECE	
CC(C)(C)OC(=O)N1CC=C[C@@H]1CNC(=O)CCOc1ccc(N)cc1	1905863625	UQAQGFDTWIXFSV-OAHLLOKOSA-N	361.442	2.329	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3cnn4c3NC[C@H](C)C4)C2)cc1	1352303768	TYGPKRXWPBRXBL-LSDHHAIUSA-N	369.469	2.210	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)c2cccc3nccn23)N(C)C)cc1	1289599799	JDQGGOQQASDWTD-GOSISDBHSA-N	351.454	2.433	10	10	FECE	
CN(C)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCCC2)cc1F	1298056959	YYDRRRSJQJIICC-HNNXBMFYSA-N	372.448	2.083	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)c2cc(N3CCOCC3)ncn2)cc1	1464302369	UTQXRXARZRQOGZ-UHFFFAOYSA-N	369.469	2.089	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)C3(CC(C)=O)CCC3)CC2)cc1	1464536840	CBYFOPZLRPYJOW-UHFFFAOYSA-N	373.497	2.083	10	10	FECE	
COc1ccnc(N2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC2)c1	1628547188	VTZYJSPBBJVHOV-UHFFFAOYSA-N	368.397	2.215	10	10	FECE	
CCCN1CCC[C@@H](C(=O)N(CC(=O)OCC)Cc2ccccc2O)C1	1557113856	ISWNIZOWDFEOHN-QGZVFWFLSA-N	362.470	2.406	10	10	FECE	
C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1	1725978881	IOPNVMVSXLQZOM-XFBWCDHKSA-N	371.441	2.472	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCc1nc2ncccn2n1	1673737548	BOKLQDYLXJTSCZ-UHFFFAOYSA-N	365.441	2.066	10	10	FECE	
Cc1cc(Br)cc(CN2CC[C@H](N3CCOCC3)C2)c1O	158028292	AXYDZZOVGANLTG-HNNXBMFYSA-N	355.276	2.370	10	10	FECE	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC(OCCCO)CC1	160034526	DIANKNYAJIHTLW-UHFFFAOYSA-N	357.410	2.254	10	10	FECE	
COc1cc([C@@H]2c3cc(O)c(O)cc3C(=O)CN2C)cc(OC)c1OC	24219173	SHFRVRFNJKKHIO-GOSISDBHSA-N	359.378	2.341	10	10	FECE	
C[C@H](NC(=O)[C@H]1C[C@@](O)(CNC(=O)OC(C)(C)C)C1)c1ccccc1O	1877567904	PTLDTZMXFBVJDC-JMERFSKESA-N	364.442	2.235	10	10	FECE	
CN[C@H](c1ccccc1O)[C@@]1(O)CC[C@H]1NC(=O)OCc1ccccc1	1977188757	RENQKXKWLKVQIU-QWFCFKBJSA-N	356.422	2.473	10	10	FECE	
C[C@H](CN(C)C(=O)OC(C)(C)C)N(C)CC(=O)Nc1ccc(N)cc1	2049135186	IZUYHSVDPMRANY-CYBMUJFWSA-N	350.463	2.395	10	10	FECE	
CCC1(CNC(=O)c2cccc(O)c2O)CN(C(=O)OC(C)(C)C)C1	2057846737	UFJIVYUYYUFMQP-UHFFFAOYSA-N	350.415	2.475	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(c2ccc3c(c2)OCCCO3)C1	2226800949	XGFJFAGOYOCDGP-ZFWWWQNUSA-N	364.442	2.312	10	10	FECE	
CC(C)(C)OC(=O)NCCc1n[nH]cc1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2227028125	YBLYLNJONJAYMQ-LLVKDONJSA-N	363.422	2.249	10	10	FECE	
CC(C)CN1C(=O)C(=CNc2cccc3ncccc23)C(=O)NC1=S	2295113249	VKQUHQQIKUHWSN-UHFFFAOYSA-N	354.435	2.430	10	10	FECE	
CC[C@H](C)N1C(=O)C(=CNc2ccc(OC)cc2OC)C(=O)NC1=S	2296157167	OVYZULXQLZEVAG-JTQLQIEISA-N	363.439	2.041	10	10	FECE	
C[C@@H](c1ccccn1)N1CCN(C(=O)C=Cc2ccc(O)c(O)c2)CC1	2309107190	PCSROAPNLAZUGQ-HNNXBMFYSA-N	353.422	2.411	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@H](CNC(=O)OC(C)(C)C)[C@H]1CCOC1	2315986946	KZYJFNXXAUFZDN-QWHCGFSZSA-N	355.439	2.323	10	10	FECE	
COC(=O)C[C@H]1CN(C(=O)c2cc(C)n(-c3ccccc3)c2C)CCO1	177756764	WRXKCTRKLABYKP-KRWDZBQOSA-N	356.422	2.498	10	10	FECE	
CC[C@@](C)(O)CNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	119121505	JQBMKGOIZVHINY-OAQYLSRUSA-N	374.529	2.179	10	10	FECE	
Cc1ncncc1C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	122735450	URYHWPODOMMNRW-UHFFFAOYSA-N	365.481	2.247	10	10	FECE	
CC(C)c1nc2n(n1)C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)CC2	120951001	ZHMPPHDJYMDOBP-OAHLLOKOSA-N	356.474	2.282	10	10	FECE	
CC[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CCN1C[C@@H](C)O	184985104	KSBBGYBKNVUVDB-APWZRJJASA-N	374.529	2.056	10	10	FECE	
CN(C)c1ccc(CNc2nc3c(c(OCC(=O)O)n2)CCCC3)cc1	73706296	MCSBKDSWPFRZLD-UHFFFAOYSA-N	356.426	2.497	10	10	FECE	
CC(C)(C)OC(=O)N1CC=C[C@H](C(=O)N2CCc3cc(O)c(O)cc3C2)C1	2366906033	KQFDQWDNWJMSKU-AWEZNQCLSA-N	374.437	2.406	10	10	FECE	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@@H](O)COC	272000322	SWNRGTCLQOLJTG-ZDUSSCGKSA-N	350.440	2.441	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN[C@H](Cc2ccccc2)C(=O)N(C)C)c1O	278884752	OSSGQILRCKLLBA-OAHLLOKOSA-N	373.409	2.098	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@H](C)C1CCCC1)c1ccc(N2CCOCC2)cc1	803297927	KFLAJBLJPBBSRH-CVEARBPZSA-N	373.497	2.395	10	10	FECE	
C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1[C@H](C)C(=O)Nc1ccc(N)cc1	2162953296	VFGWPTKQFOXGPO-MISXGVKJSA-N	372.391	2.127	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H]3C3CC3)cc2)C1	728746613	DUULDKKIVFDPIO-MJGOQNOKSA-N	370.497	2.472	10	10	FECE	
c1cc(N2CCN(CC3CC3)CC2)ccc1CN[C@@H]1CCO[C@@]12CCOC2	903131124	QNHUFGFXTAARRA-FGZHOGPDSA-N	371.525	2.256	10	10	FECE	
COc1ccc(O)c(CNC(=O)NCc2nccn2CC(F)(F)F)c1	734070169	CWMFUDMWDGPBIX-UHFFFAOYSA-N	358.320	2.159	10	10	FECE	
Cn1ncc(/C=C2\OCCn3c2nc(Br)c3C=O)c1Cl	901575186	MWDFRLZRPAZEEA-WTKPLQERSA-N	357.595	2.373	10	10	FECE	
CN(C)c1ccc(/C=C\CN[C@H](C(=O)O)[C@H](O)Cc2ccccc2)cc1	904048273	MCWBHBMPTBSJDG-WTGAGXSVSA-N	354.450	2.412	10	10	FECE	
COc1ccc(N2CC[C@H](N[C@H](Cc3ccc(F)cc3)C(N)=O)C2)cc1	849323150	WGJNCJRXZOQXNA-QFBILLFUSA-N	357.429	2.099	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)CCC[C@@H]3CCOC3)C2)cc1	849416997	GTIQIZNZADBOFG-CVEARBPZSA-N	368.499	2.010	10	10	FECE	
Cc1cc(CCNC(=O)CN2CSCC2=O)c(C)n1-c1ccccc1	746427251	UNCJDFBKZXOJCP-UHFFFAOYSA-N	357.479	2.286	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ncn(C(C)C)n2)cc1	845816228	CAZCHTHHOHGVSP-UHFFFAOYSA-N	372.473	2.302	10	10	FECE	
CO[C@@H]1CC[C@@H](C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1	854906913	ZRYKEXVYTPUKQW-ZIAGYGMSSA-N	354.397	2.233	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CCc3nnn(C)c3C2)cc1	927847160	HFSSAQNGWZEGOL-INIZCTEOSA-N	370.501	2.360	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@H]3CCN(C4CC4)C3)C2)cc1	854302337	ZEEBQBKLMOERRC-YJBOKZPZSA-N	358.486	2.152	10	10	FECE	
CC(C)C[C@H]1C(=O)N(Cc2ccc(N3CCC(O)CC3)cc2)C(=O)N1C	853089263	NDLZAXLBPNBSSK-SFHVURJKSA-N	359.470	2.456	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](NC(=O)c2ccccn2)C(C)C)c1	761973541	RHKVWTXMGUPZMP-ACJLOTCBSA-N	371.437	2.428	10	10	FECE	
CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2O)s1	867834297	LUWGBUKWVSFRSI-NSHDSACASA-N	368.480	2.172	10	10	FECE	
COC[C@@]1(C)CN(Cc2cc(Br)cc(OC)c2O)CCO1	862551759	PGZOPNPPSHJTHF-OAHLLOKOSA-N	360.248	2.401	10	10	FECE	
C[C@H](NCCC1CS(=O)(=O)C1)c1cc(Br)c(F)cc1O	786952269	UBDMHVFUIUZLIA-QMMMGPOBSA-N	366.252	2.379	10	10	FECE	
COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(O)c(OC)c2)c1	797819415	INKBVQDNTOMRKF-UHFFFAOYSA-N	355.343	2.127	10	10	FECE	
CS(=O)(=O)c1ccc(/C=C\C(=O)NCc2ccc3cccnc3c2O)o1	1142731429	YYHMDROXJDAOQG-VURMDHGXSA-N	372.402	2.267	10	10	FECE	
CN(C)c1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2CO)cc1	2116264431	FGFFUCMQRYHQHK-FUHWJXTLSA-N	363.502	2.460	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CSc2ccccc2O1	1329367700	CMBCVFVHPMQHDM-AWEZNQCLSA-N	372.446	2.020	10	10	FECE	
C[C@H](NC(=O)C(=O)NC1C[C@@H]2CC[C@H](C1)S2)c1ccc(N(C)C)cc1	1334158790	ACRFBXKNCSKKGE-IICXIOTHSA-N	361.511	2.473	10	10	FECE	
C[C@@H]1CSCCCN1C(=O)C(=O)NCc1ccc(N2CCCC2)cc1	1354414134	KXYQUILLPYLIPT-OAHLLOKOSA-N	361.511	2.257	10	10	FECE	
CCO/C=C/[C@@](O)(CNC(=O)c1ccc(N=NC(N)=O)cc1)C(F)(F)F	1298586288	SDYPFCGARSOWPB-PHWOZQQYSA-N	374.319	2.422	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2C[C@H](C(N)=O)Cc3ccccc32)cc1	1292808308	IPSNWKQLYWKTNO-CYBMUJFWSA-N	351.366	2.153	10	10	FECE	
COc1ccc(N2CCN(C(=O)NOC/C=C\Cl)CC2)c(OC)c1	1635890055	NUKFMOJWIMXEPW-UTCJRWHESA-N	355.822	2.220	10	10	FECE	
O=C(C[C@@H]1C[C@H]2CC[C@H]1O2)NCc1ccc(N2CCC(CO)CC2)cc1	1565985577	HGRUSVLAHMNVEA-DFQSSKMNSA-N	358.482	2.469	10	10	FECE	
C[C@H](NC(=O)c1nc2ncc(Br)cn2n1)c1ccccc1O	1642827391	GXRVGTAQQGGYRA-QMMMGPOBSA-N	362.187	2.083	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCc2cccnc2N2CCOCC2)cc1	1588223062	WEBLOCLZVAFHSW-UHFFFAOYSA-N	368.397	2.011	10	10	FECE	
CC(=O)Nc1ccccc1C(F)(F)C(=O)NCc1cccc(O)c1O	1651175988	VOSJGOZJQIXAPD-UHFFFAOYSA-N	350.321	2.464	10	10	FECE	
CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccc(N)cc1	160330456	WJCQJKOPBZEVSK-MRXNPFEDSA-N	365.430	2.350	10	10	FECE	
CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3cc(C)ccc3O)C2=O)cc1	6155052	OWMKQRIIOZQSOI-LFIBNONCSA-N	366.373	2.339	10	10	FECE	
COc1ccc(OCCNC(=O)CCNCc2cc(C)ccc2O)cc1	1857861640	BLVDXFAIVAYFJI-UHFFFAOYSA-N	358.438	2.384	10	10	FECE	
CC(C)(C)OC(=O)NC1CCN(CC(=O)NCCCCN=[N+]=[N-])CC1	1963733398	YVIDVDOWDJFJEY-UHFFFAOYSA-N	354.455	2.182	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H]1CCOC1	1964874341	QUZUAMPGXVCXFQ-GOEBONIOSA-N	364.442	2.280	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3NC(=O)c1cccc(O)c1O	2169553584	ZWKNJXWALVPAHL-HIOOUATESA-N	374.437	2.472	10	10	FECE	
COc1ccc(CNCCCOCCNC(=O)OC(C)(C)C)c(O)c1	2049162581	NBGPQGBWCQVQNQ-UHFFFAOYSA-N	354.447	2.422	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060638006	QUWCLNFBSVJHCP-FRRDWIJNSA-N	353.423	2.048	10	10	FECE	
COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2060634368	YUUVBETXPXTPOV-STQMWFEESA-N	355.439	2.465	10	10	FECE	
C[C@H](N=c1nc(CNC(=O)OC(C)(C)C)[nH][nH]1)c1cc(F)ccc1O	2063192657	LQXLCQPINLLNNZ-VIFPVBQESA-N	351.382	2.269	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](C2CN(CC(=O)Nc3ccc(N)cc3)C2)C1	2196638615	KEWFTLAJUDKBKG-AWEZNQCLSA-N	374.485	2.396	10	10	FECE	
CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)C(=O)Nc1ccc(N)cc1	2106700905	HZDXUQFHDUFFQL-HNNXBMFYSA-N	364.446	2.368	10	10	FECE	
C[C@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(CCOc2ccc(N)cc2)C1	2106750219	ITNFHJUKJONAAW-JSGCOSHPSA-N	359.392	2.427	10	10	FECE	
CN1CCCc2cc([C@@H](N)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)ccc21	2106948401	PXJJFXJJFNXPSA-XLIONFOSSA-N	361.486	2.441	10	10	FECE	
COc1cc(C=C2C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1O	2297352846	CJRDTIOOZAQISO-UHFFFAOYSA-N	371.422	2.073	10	10	FECE	
O=C1Nc2cc(Cl)c([N+](=O)[O-])cc2C1=CC1=S=C([N+](=O)[O-])C=C1	2308201490	REJRZFAAPQCVHU-UHFFFAOYSA-N	351.727	2.466	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NCc3ccc(O)c(O)c3O)[C@H]1C2	2308475748	DLWIQZPNBIVTRD-KGYLQXTDSA-N	350.415	2.291	10	10	FECE	
COc1cc(OC)cc(C(=O)NC2=N[C@@H](c3ccccc3F)CC(=O)N2)c1	20924611	QSSLCWXKUPYTSD-MRXNPFEDSA-N	371.368	2.190	10	10	FECE	
O=C1c2ccccc2C(=O)c2c1cccc2C(=O)N1CCN(C2CC2)CC1	175330114	JTZUFWNSFICFDG-UHFFFAOYSA-N	360.413	2.382	10	10	FECE	
C[C@@H](NCc1cccc([C@]2(C)NC(=O)NC2=O)c1)c1ccc(F)cc1O	185293961	OOVMPZJHVYNYIP-WYRIXSBYSA-N	357.385	2.437	10	10	FECE	
CCO[C@H]1CCCN(c2cc3c(cc2Br)[C@@H](N)C(=O)N3)C1	221243752	ACOMELWIRGOOAF-LKFCYVNXSA-N	354.248	2.406	10	10	FECE	
O=C1Cc2ccc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2N1	190760154	IFAQZNBEDSRWEX-UHFFFAOYSA-N	369.396	2.087	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)CC2)cc1	246195756	UEOLBQUEUVIIDS-IPMKNSEASA-N	371.481	2.484	10	10	FECE	
CSc1ccc(N2C[C@H](C(=O)NCc3ccc(O)c(O)c3)CC2=O)cc1	367884213	GAERYQFURVBUHX-CYBMUJFWSA-N	372.446	2.489	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCCOC3)cc2F)C[C@H](C)O1	288525874	HDDLXPRAHQHBPB-OFQRWUPVSA-N	365.449	2.418	10	10	FECE	
O=C1N[C@@H](CF)C(=O)N1[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	287772551	RJKFUERILJZFCG-AAEUAGOBSA-N	357.332	2.147	10	10	FECE	
O=S(=O)(C[C@H]1CCCC1(F)F)NCc1ccc(N2CCOCC2)cc1	296678015	HTJYYELSCZBNLW-OAHLLOKOSA-N	374.453	2.378	10	10	FECE	
CC(=O)C(=O)COC(=O)c1ccc(I)c(Cl)c1	808523398	MNPNLKZAHMIRCZ-UHFFFAOYSA-N	366.538	2.260	10	10	FECE	
Cn1c(-c2ccccc2)cnc1SC[C@@H]1CCN(S(C)(=O)=O)C1	806585847	MWLMDCYWRRWPRL-CYBMUJFWSA-N	351.497	2.461	10	10	FECE	
Cc1cnc(N)c(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)c1	805134674	GERYDZZQFYETAP-UHFFFAOYSA-N	362.238	2.463	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)NC2CCC(N3CCNCC3)CC2)c1	817982567	GCRILACENJSBQE-OOHWJJMZSA-N	361.486	2.046	10	10	FECE	
Cc1cc(Cl)cc(CNCC(=O)NCCN2CCCCCC2)c1O	816621062	XAKOYRYQVLCGMP-UHFFFAOYSA-N	353.894	2.436	10	10	FECE	
C[C@@H](NC(=O)[C@H]1CCc2nc[nH]c2C1)c1ccc(N2CCOCC2)cc1	823834667	LXZYWJRKCQHBRO-ZBFHGGJFSA-N	354.454	2.229	10	10	FECE	
COc1cccc(N2C[C@@H](NCc3cc4c(cc3O)OCO4)CC2=O)c1	725852780	HHIKTRAAVFPGPA-ZDUSSCGKSA-N	356.378	2.025	10	10	FECE	
CCOC(=O)C(F)(F)[C@@H](N)c1c(C(=O)O)ccc(Br)c1O	725274861	RSPMCEWGCJSWHF-VIFPVBQESA-N	368.130	2.051	10	10	FECE	
COc1cc(O)c(CNCc2nn(C)cc2Br)cc1OC	824780114	FFUDSGMKDDHJOE-UHFFFAOYSA-N	356.220	2.195	10	10	FECE	
COc1ccccc1[C@@H](O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	900387101	QNTFAICAKCOUKD-MGPUTAFESA-N	370.449	2.443	10	10	FECE	
CC[C@@H]1[C@@H](CO)CCN1C(=O)NC1CCN(c2ccc(OC)cc2)CC1	838190791	LIKCVSWWEDLSPU-DNVCBOLYSA-N	361.486	2.466	10	10	FECE	
COCCCOC1CN(Cc2cc(Br)cc(OC)c2O)C1	839133617	SAESDSWISGPQJV-UHFFFAOYSA-N	360.248	2.401	10	10	FECE	
CC[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCCCO1	848932422	ZAYVROZFHLDDMU-RBUKOAKNSA-N	373.497	2.367	10	10	FECE	
COc1ccc(CN(Cc2cc(O)n3ncc(C(=O)O)c3n2)C2CC2)cc1	846230828	BVHXVEOCFGGKKW-UHFFFAOYSA-N	368.393	2.306	10	10	FECE	
CCc1noc(C)c1NC(=O)C(=O)N(C)CCN(C)c1ccc(OC)cc1	846098694	MQODACLVCWAELT-UHFFFAOYSA-N	374.441	2.087	10	10	FECE	
COc1ccc(N2CC[C@@H](COC(=O)c3cnc4[nH]nnc4c3)C2)cc1	842874422	CUFNWPMJBXKULL-GFCCVEGCSA-N	353.382	2.045	10	10	FECE	
COc1ccc(N(C)[C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)c(OC)c1	851865122	QXUPPQWKLQZSPN-HNNXBMFYSA-N	364.442	2.083	10	10	FECE	
COCc1n[nH]c(CNC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)n1	855522174	RUQNTVVQZNMSAO-UHFFFAOYSA-N	369.425	2.297	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3CCC[C@@](O)(C4CC4)C3)C2)cc1	854187636	OLNZNSWMYPTHOD-KKSFZXQISA-N	373.497	2.468	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2C[C@]34CCCC[C@@]3(COC4)C2)cc1	852758779	FDPRDPRWZMTSPV-SFTDATJTSA-N	357.498	2.261	10	10	FECE	
C[C@@H](Nc1ccnc(N2CCOCC2)n1)c1ccc(N2CCOCC2)cc1	758847965	IYOYKKBNTMSDLY-MRXNPFEDSA-N	369.469	2.323	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NCC1CCN(C2CCOCC2)CC1	855201155	OQJFNZBAPBLEJE-RQOWECAXSA-N	360.454	2.118	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H](C)NC(=O)C3CCCC3)C2)cc1	855233317	XFIRTJLSERKXQS-HOCLYGCPSA-N	359.470	2.085	10	10	FECE	
Cc1ccn(-c2ccccc2NC(=O)C(=O)NCc2ccccc2O)n1	759504848	QXMPDBMSRJKQRI-UHFFFAOYSA-N	350.378	2.141	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H](C)OCc3ccncc3)C2)cc1	869229639	ZWFJBFDWZNDSCM-RDJZCZTQSA-N	355.438	2.390	10	10	FECE	
COC(=O)c1cc(OCc2cc(=O)n3c(C)csc3n2)ccc1N(C)C	865396330	OLSHPTCJHFXXHO-UHFFFAOYSA-N	373.434	2.496	10	10	FECE	
COc1ccc(N2CC[C@H](Nc3cc(C)ccc3S(N)(=O)=O)C2)cc1	865932723	YUVSVNIBPKOPGQ-AWEZNQCLSA-N	361.467	2.342	10	10	FECE	
C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)C(=O)NCc1ccc(N(C)C)cc1	1116976003	KYTITFPAHQXHKT-BXUZGUMPSA-N	357.376	2.168	10	10	FECE	
C[C@@H](NC(=O)C(=O)NCC1CCCCC1)c1ccc(N2CCOCC2)cc1	774496592	GPAHMTBTCNFZMG-MRXNPFEDSA-N	373.497	2.397	10	10	FECE	
CCOC(CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)OCC	788647201	NIWHCWYRTZHGEL-UHFFFAOYSA-N	368.449	2.192	10	10	FECE	
CN(CC(C)(C)S(C)(=O)=O)c1ccc(CO)c(Br)c1	713920030	UGYQZTNEYQHRCI-UHFFFAOYSA-N	350.278	2.201	10	10	FECE	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3cccc(O)c3O)c12	1303193277	JNUTXQDZKFCZAR-UHFFFAOYSA-N	352.394	2.495	10	10	FECE	
Nc1nc(NCCc2ccc(O)c(O)c2)nc(C(F)(F)C(F)(F)F)n1	1162685750	ALMJHOQCIDIDPZ-UHFFFAOYSA-N	365.262	2.174	10	10	FECE	
CC(=O)N[C@H](CC(=O)NCc1cc(O)ccc1O)c1ccc(F)cc1F	1176747829	CDHCHUWZQZZNDT-MRXNPFEDSA-N	364.348	2.260	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC1CC2(C1)CC2(F)F	1328245633	JKSUYWUTJYWOLA-UHFFFAOYSA-N	351.397	2.015	10	10	FECE	
CN(Cc1nc(=NCc2ccc(F)c(F)c2O)[nH][nH]1)C(=O)OC(C)(C)C	2128855319	QJDBSBVPLSRMPK-UHFFFAOYSA-N	369.372	2.189	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)NCc2ccccc2O)OCC1(C)C	2124317737	RYVCZSDQIFHIQK-OAHLLOKOSA-N	364.442	2.423	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](C(=O)N1CC[C@H](N=[N+]=[N-])C1)C1CCOCC1	2124504779	CZBOIZGOBGTNDR-UONOGXRCSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1c1cc2c(cc1N)OCCO2	1905538380	YBIAMWLBWILCRG-LALPHHSUSA-N	361.442	2.389	10	10	FECE	
CN(C(=O)CN1CC(CCNC(=O)OC(C)(C)C)C1)c1ccc(N)cc1	2134799650	AJJCXFUTCNREAO-UHFFFAOYSA-N	362.474	2.078	10	10	FECE	
[N-]=[N+]=NCC1CCN([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2O)CC1	1912196080	SEQVQKREGPSRHX-SJORKVTESA-N	359.430	2.391	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(CNCc2cccc(F)c2O)CC1	1918931634	UIRXAANBTUHIBS-UHFFFAOYSA-N	354.422	2.383	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(O)ncc1Br	1466791008	OMBVYWNJDHVFIN-QMMMGPOBSA-N	367.199	2.322	10	10	FECE	
Cc1cc(CCNC(=O)[C@]2(C)C[C@@H](O)CN2C)c(C)n1-c1ccccc1	1470849810	LZKVOQJNMDVLPT-CTNGQTDRSA-N	355.482	2.208	10	10	FECE	
CC1=NNC(=O)[C@H]1CCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	1615925785	OQZXNVROIGQHSF-INIZCTEOSA-N	356.401	2.475	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCCNc1ncccc1C(F)(F)F	1543164001	XXVCXCWHQCVUGI-UHFFFAOYSA-N	355.316	2.282	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(CC2CC2)n1C[C@@]1(C)COCCO1	1617941177	POFFCYPTVJZMIQ-FQEVSTJZSA-N	372.469	2.378	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)c1ccc2c(c1)nc(O)n2CC1CC1	1545639690	ZCQOYSLKAVTBKQ-UHFFFAOYSA-N	353.378	2.493	10	10	FECE	
CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1OCC(=O)NC	1626143661	GGRNTPSOESHYON-OAHLLOKOSA-N	372.421	2.033	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CC2)n1CCCn1ccnn1	1711095618	RQZFQSQRYDEIST-UHFFFAOYSA-N	353.430	2.179	10	10	FECE	
O=C(NCc1cc(O)ccc1O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1	1643879517	SSOUEHDMYOFBIW-UHFFFAOYSA-N	371.368	2.032	10	10	FECE	
Cc1cn2c(=O)c(C(=O)NCc3ccc4cccnc4c3O)cnc2s1	1570533981	ZGRVWGIIYVEPSB-UHFFFAOYSA-N	366.402	2.248	10	10	FECE	
Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCc1c(O)ccc2ccccc12	1645440680	MJTBTTOVPUGRFP-UHFFFAOYSA-N	374.418	2.333	10	10	FECE	
O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CC(=O)N(CC2CC2)C1	1687429593	MVIAQVUGNVZGGF-OAHLLOKOSA-N	357.454	2.081	10	10	FECE	
Cc1cc(=O)n(C)cc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	162255914	FTRPAHYUBRXGQH-OAHLLOKOSA-N	370.453	2.413	10	10	FECE	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1	151594442	GMLAUTHNAYPSSX-JKSUJKDBSA-N	355.394	2.270	10	10	FECE	
COc1cc(Br)cc(CN2C[C@H](C(N)=O)CC[C@@H]2C)c1O	159534319	PUTMESBZBLWACS-VHSXEESVSA-N	357.248	2.249	10	10	FECE	
CN(C)S(=O)(=O)c1ccc(C(=O)N(c2ccc(N)cc2)C2CC2)cc1	1857927002	ODYJONVJUYOKKT-UHFFFAOYSA-N	359.451	2.328	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)NCC1(CN=[N+]=[N-])CC1)[C@H](O)C(C)(C)C	1878001336	NRDFEFIUIVDAOF-NEPJUHHUSA-N	369.466	2.493	10	10	FECE	
C[C@H](C(=O)O)N1CC(NCc2cc(Cl)cc(Br)c2O)C1	2188310681	WPMDKUARGWHXJD-SSDOTTSWSA-N	363.639	2.055	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CCN2c2cc3c(cc2N)OCC(=O)N3)C1	2188888660	WJHRZUNDVUQKGB-IAQYHMDHSA-N	374.441	2.045	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@]12COC[C@@H]1CN(C(=O)OC(C)(C)C)C2	2060639924	NMVSHYFFYYBWIL-BLLLJJGKSA-N	353.423	2.029	10	10	FECE	
CC(C)(C)OC(=O)Nc1[nH]nnc1C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2060634425	ZMVOJWAJGIOXMI-SECBINFHSA-N	350.383	2.314	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1CC(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2067675497	ARXHLYBESHHNHF-XQQFMLRXSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1)C(C)(C)O	2067739061	FBKUPZIBMFGOME-VXGBXAGGSA-N	355.439	2.342	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(CNCc2c(O)cccc2F)C1	2081459077	BZWNSIYYJHXTIN-SFHVURJKSA-N	354.422	2.383	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)COc2ccc(N)cc2)C1(C)C	2106231943	ULLMQDFIPRQXEY-HUUCEWRRSA-N	363.458	2.456	10	10	FECE	
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)cc1	2294593358	MYZNEZJSXUKWQD-UHFFFAOYSA-N	355.306	2.417	10	10	FECE	
CSc1ncc(CNS(=O)(=O)c2cnc(O)c(Cl)c2)s1	2284688796	MANPRTBGYVFNLQ-UHFFFAOYSA-N	351.862	2.098	10	10	FECE	
C[C@@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccccc1O	2332172223	WEFMBYTZYNXZRM-XJKCOSOUSA-N	364.442	2.187	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccn4ccnc4c3)CC2)cc1F	119157272	JOCMXNZVYKMHHG-UHFFFAOYSA-N	354.385	2.444	10	10	FECE	
Cc1ccc(C(=O)O)cc1-n1c(C)cc(CN2CC[C@](N)(C(=O)O)C2)c1C	67841322	GMXZNFPJRGSKME-HXUWFJFHSA-N	371.437	2.089	10	10	FECE	
Cc1nc(C[C@@H]2CCCN(CC(=O)NCc3ccc(N(C)C)cc3)C2)no1	171406646	NSQLFJXTUKRUSE-KRWDZBQOSA-N	371.485	2.015	10	10	FECE	
O=C(Nc1ccc(CNC(=O)C(F)(F)F)cc1)c1cc(O)c(O)c(O)c1	216790553	CVEJVFBRAMUTDQ-UHFFFAOYSA-N	370.283	2.234	10	10	FECE	
O=S(=O)(C(F)F)[C@@H]1CCN(c2ccc(CO)c(Br)c2)C1	2368554218	RTNKZHGXVVRKNX-SNVBAGLBSA-N	370.215	2.158	10	10	FECE	
O=C(Cn1ncc(=O)c2ccccc21)NCc1ccc(N2CCCC2)cc1	41365336	OUCBTPLMMSEMPO-UHFFFAOYSA-N	362.433	2.313	10	10	FECE	
COc1ccc(N2CCN(c3nncc(NCc4ccco4)n3)CC2)cc1	244278582	WSSYZOVFLWYDIH-UHFFFAOYSA-N	366.425	2.412	10	10	FECE	
CCCCNC(=O)C1(C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1	243857722	RHIVKVPSNHTPLO-UHFFFAOYSA-N	359.470	2.040	10	10	FECE	
O=C(NCCc1nnc2n1CCC2)NCc1cc(Cl)cc(Cl)c1O	806938589	PPIRAMLFXNUDMG-UHFFFAOYSA-N	370.240	2.279	10	10	FECE	
COC(=O)[C@@H]1CN(CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CCO1	728575335	WVJSEWFIWXCZSO-IBGZPJMESA-N	374.412	2.290	10	10	FECE	
CCCn1cc([C@@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)nn1	902759452	XWEGWFFSTRFGOE-NVXWUHKLSA-N	370.501	2.241	10	10	FECE	
CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)NCCCSc1nccs1	840325404	VWOQLXDPYIOWGC-LBPRGKRZSA-N	356.517	2.324	10	10	FECE	
CC(C)Oc1ccc(F)cc1NC(=O)C(=O)NCCc1ccc(N)cc1	841175962	NSNFMNPZFZYMJI-UHFFFAOYSA-N	359.401	2.493	10	10	FECE	
COc1ccc(N(C)CCN(C)S(=O)(=O)N2CCC[C@@H](C)C2)cc1	845986956	CYWIYSQDPAQALU-OAHLLOKOSA-N	355.504	2.040	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3cnoc3C3CC3)CC2)cc1	1334434915	AUCFTUMVAZIJMV-UHFFFAOYSA-N	370.453	2.113	10	10	FECE	
CN(C)c1ccc(CN(CC(=O)NC2CCN(C3CC3)CC2)C2CC2)cc1	920781635	TXQYUJNQWJPDEX-UHFFFAOYSA-N	370.541	2.460	10	10	FECE	
CO[C@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@H]1CCOC1	854276219	KWRGVVVMRMNJEI-QFBILLFUSA-N	361.486	2.478	10	10	FECE	
COC(=O)CCNC(=O)CCN[C@H](C)c1ccc(Cl)c(Cl)c1O	858542891	ZHEXMUOSJYVJRG-SECBINFHSA-N	363.241	2.419	10	10	FECE	
Cc1cc(C)c([C@H](C)N[C@H]2CCN(c3ccc4nncn4n3)C2)c(O)c1	858490134	UNGCMBNLJGJPJD-GJZGRUSLSA-N	352.442	2.376	10	10	FECE	
C[C@@H]1C[C@H]1c1noc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)n1	865909575	VPJYXEWHQIAFAL-BXUZGUMPSA-N	374.416	2.223	10	10	FECE	
Fc1cncc(N2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)c1	930122265	YWHFVSOJOMPFGD-UHFFFAOYSA-N	356.445	2.380	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N[C@@H](C)c3ccnn3C)CC2)cc1	869178284	HFTKCRJSJHXZFW-AWEZNQCLSA-N	357.458	2.458	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)NCC[C@H]1CCc2ccccc2N1	1118332336	FSQYBMRLZLGSJD-QGZVFWFLSA-N	367.449	2.284	10	10	FECE	
COc1ccc(O)c(CNC(=O)NCC[C@@H]2COc3ccccc3O2)c1	767001825	IJBHEQONBJMDLR-OAHLLOKOSA-N	358.394	2.430	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CCN(c3ccncc3)[C@@H](C)C2)c1O	895556672	LTRVHORHTKVRSU-ZDUSSCGKSA-N	358.398	2.415	10	10	FECE	
O=C(CC(F)(F)F)NC[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	795671200	WLLRDCGIHNNAAW-NSHDSACASA-N	374.359	2.402	10	10	FECE	
Cc1cc(C)n(CC(=O)N(Cc2ccco2)Cc2ccccc2O)c(=O)n1	1149858365	XYEWJAKNSVLXLN-UHFFFAOYSA-N	367.405	2.388	10	10	FECE	
CC[C@H](CO)N(Cc1ccccc1)C(=O)C(=O)N1Cc2cccc(O)c2C1	1329932646	SVBMYIHTQRNYMP-QGZVFWFLSA-N	368.433	2.034	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CC(CC(F)(F)F)C1	1261089518	PIJRYBMQVGIVKH-UHFFFAOYSA-N	367.371	2.090	10	10	FECE	
COCC[S@](=O)Cc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1	1444160996	VOBDPZRXMIJECZ-VWLOTQADSA-N	363.435	2.174	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)c1ccccc1S(=O)(=O)C(F)F	1445941385	XNUNNIFJWATWDY-UHFFFAOYSA-N	371.361	2.067	10	10	FECE	
CCc1ccc(C(=O)N2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)cc1	1623914212	ZHMCFIFJFYQLST-UHFFFAOYSA-N	368.433	2.187	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCCNc3ccc(C)cn3)C2)cc1	1636854142	SZXTZYNTGNOKJW-INIZCTEOSA-N	369.469	2.389	10	10	FECE	
CCS(=O)(=O)CCN(C)Cc1c(Br)ccc(OC)c1O	1964574332	FEMYGTLTPOTQKB-UHFFFAOYSA-N	366.277	2.030	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccnn1C	1964089256	LBZVYLQQVVFJCM-MRXNPFEDSA-N	374.441	2.350	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1nccs1)C(=O)NCCCN=[N+]=[N-]	1964880626	RTBJXWQUUADPFU-SNVBAGLBSA-N	354.436	2.396	10	10	FECE	
NC(=O)CCN(Cc1ccccc1)c1cc2c(cc1Cl)[C@@H](O)C(=O)N2	2034745587	DIICAIWLPMIKIH-QGZVFWFLSA-N	359.813	2.208	10	10	FECE	
C[C@@H](CCNS(=O)(=O)Cc1ccc(N)cc1)N(C)C(=O)OC(C)(C)C	2044238504	IYPLGCOWPVFJLY-ZDUSSCGKSA-N	371.503	2.334	10	10	FECE	
COc1ccc(N2C[C@@H](OC)C[C@@H]2CNC(=O)OC(C)(C)C)c(N)c1	2044767995	BFJMDUURFUNZSZ-OCCSQVGLSA-N	351.447	2.396	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(=O)N2CCC(N=[N+]=[N-])CC2)CO1	2060611521	VESNQSMBXBLFRV-WCQYABFASA-N	353.423	2.218	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2060616487	BCGQTVLWCQEBEU-CHWSQXEVSA-N	353.423	2.170	10	10	FECE	
COC[C@@H](CC(=O)N[C@H](C)c1ccccc1O)NC(=O)OC(C)(C)C	2072470286	GGQCHBVRIORUDF-CHWSQXEVSA-N	352.431	2.499	10	10	FECE	
C[C@@H](NC(=O)CC[C@H](O)CNC(=O)OC(C)(C)C)c1ccccc1O	2072479538	KFNGUCSTGBVWHH-OLZOCXBDSA-N	352.431	2.235	10	10	FECE	
C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C1COC1)c1ccccc1O	2072478755	ABZUBROPVOGXJZ-XHDPSFHLSA-N	350.415	2.109	10	10	FECE	
CN(C(=O)[C@@](C)(NC(=O)OC(C)(C)C)C(C)(C)O)c1ccc(N)cc1	2080853055	TUFITLPIXSAREU-GOSISDBHSA-N	351.447	2.286	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](CNC(=O)Cc2ccc(N)cc2)COC1(C)C	2106256422	BAWDNQAQAOYZQQ-OAHLLOKOSA-N	363.458	2.300	10	10	FECE	
CN1CCc2cc([C@H](N)[C@]3(O)CCCN(C(=O)OC(C)(C)C)C3)ccc21	2106849801	AZZNGHZWUPQYAY-PXNSSMCTSA-N	361.486	2.441	10	10	FECE	
C[C@](NC(=O)C(F)(F)F)(C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-])C(F)(F)F	2218746681	XYDCJMHLABKICH-KCRUCZTKSA-N	361.246	2.334	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2218745718	NRTZNACDEODRQA-XQQFMLRXSA-N	353.423	2.360	10	10	FECE	
C[C@@H]1CC[C@@H](S(C)(=O)=O)CN1c1ccc(CO)c(Br)c1	2279400823	IBEYIOXMGKKDNX-ZWNOBZJWSA-N	362.289	2.343	10	10	FECE	
Cc1cc(N2C(=O)NC(=O)C(=CNC(C)C)C2=O)ccc1Br	2297534408	WGSLVLOMYTUXLA-UHFFFAOYSA-N	366.215	2.222	10	10	FECE	
CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C=Cc1cncc(C)c1)CC2	2302407428	XOCWZUQQOIDEOR-UHFFFAOYSA-N	371.462	2.291	10	10	FECE	
Cc1ccc2nc(C(=O)O)c(N=Nc3ccc(S(N)(=O)=O)cc3)n2c1	2320768635	IYLJQZUIFKDVAC-UHFFFAOYSA-N	359.367	2.404	10	10	FECE	
CN[C@@H](c1ccccc1O)[C@]1(O)C[C@H](OC)CN(C(=O)OC(C)(C)C)C1	2344434734	YUSFZEUBEPQLKL-AXHNFQJDSA-N	366.458	2.040	10	10	FECE	
O=C1/C(=C\c2cccc3nccnc23)SC(=S)N1N1CCOCC1	102729342	IIDYBGVMGFUABY-JLHYYAGUSA-N	358.448	2.078	10	10	FECE	
Cc1ccc(-n2c(C)cc(/C=C/C(=O)NCCC(=O)NC(N)=O)c2C)cc1	176116188	DXCJAIUGMJZGPX-RMKNXTFCSA-N	368.437	2.117	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NC[C@H](c2cnn(C)c2)N(C)C)cc1	172277708	WPYHANQXWSWKPS-LJQANCHMSA-N	372.517	2.368	10	10	FECE	
Nc1ccc(CCC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1	66153471	RUJKRQQHLNWCTR-UHFFFAOYSA-N	353.422	2.313	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(C(=O)N2CCc3cc(O)c(O)cc3C2)C1	2366907603	IABLOMVXPDRPII-VLIAUNLRSA-N	374.437	2.240	10	10	FECE	
CO[C@H]1CC[C@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	191258473	FOVILHVSILDTOI-GJZGRUSLSA-N	351.422	2.029	10	10	FECE	
CN(C)c1ccc(CNC(=O)N[C@H]2CCCCC[C@H]2C(N)=O)cc1F	131315954	CCVOBKWKTXSVLS-HIFRSBDPSA-N	350.438	2.125	10	10	FECE	
CCOC(=O)N1CCC(NC(=O)[C@@H](C)Cc2ccc(O)c(O)c2)CC1	96785378	KDBHVHVSZVIJLN-LBPRGKRZSA-N	350.415	2.014	10	10	FECE	
COc1ccc([C@@H](CC(=O)NCCc2ccc(N)cc2)NC(C)=O)cc1	237199274	ZNZRIEYXXPBMFH-LJQANCHMSA-N	355.438	2.204	10	10	FECE	
Cc1cc(C(=O)CN2CCN(CCO)[C@@H](C)C2)c(C)n1-c1cccc(F)c1	249549782	HMFAPQPTLAARQL-INIZCTEOSA-N	373.472	2.414	10	10	FECE	
Cc1ccc(CN(C)[C@H]2CS(=O)(=O)C2(C)C)c(O)c1Br	2381134384	BLEKBQMRHCXDLN-NSHDSACASA-N	362.289	2.471	10	10	FECE	
CN1CCc2cc([C@H](N)c3cc(CNC(=O)OC(C)(C)C)nn3C)ccc21	2163130442	HNODAOJZFKMXIV-SFHVURJKSA-N	371.485	2.485	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C	806820762	NXUGIMCPTKDDOQ-NVXWUHKLSA-N	351.491	2.018	10	10	FECE	
COc1ccc(N2CCCN(C(=O)Cc3cn(C)nc3Cl)CC2)cc1	814406772	KAPXQUMAUPFKTL-UHFFFAOYSA-N	362.861	2.364	10	10	FECE	
C/C(=C/C(=O)NCc1cccc(Br)c1O)CN1CCOCC1	907758763	UEZHIVAEYADVBB-XFXZXTDPSA-N	369.259	2.049	10	10	FECE	
N[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1C(F)(F)F	903982178	MLJPDJPYLVHZBS-UKRRQHHQSA-N	361.383	2.374	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)CCC(F)(F)F)C2)cc1	849415715	FTAMAGCRSFHMAN-LLVKDONJSA-N	352.378	2.146	10	10	FECE	
C[C@@H]1CN(c2ccc(CN3C(=O)N[C@@H](CCF)C3=O)cc2F)C[C@@H](C)O1	844715882	BQKMLHAKGVUAPL-JMSVASOKSA-N	367.396	2.219	10	10	FECE	
COc1ccc(N2CCC(NC(=O)c3csc(C(=O)O)n3)CC2)cc1	911335117	SRBQBKGMXQUPFP-UHFFFAOYSA-N	361.423	2.249	10	10	FECE	
CCNC(=O)CN(C)C(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	683471650	PFUNFKPTFNCVDA-UHFFFAOYSA-N	370.497	2.002	10	10	FECE	
C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1)C(C)(C)C	846725536	SEWXRHOSHHOZCQ-CQSZACIVSA-N	363.527	2.407	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cc(OC)c(O)c(OC)c3)C2)cc1	855234270	WDKKSQVMQFTNRN-CQSZACIVSA-N	372.421	2.427	10	10	FECE	
COc1ccc(N2CC[C@@H](Nc3cnc(N4CCCC4=O)cn3)C2)cc1	853761767	WJAYLYCGMBKJCY-CQSZACIVSA-N	353.426	2.303	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C[C@@H](O)Cc3ccccc3)C2)cc1	855227476	WZMLFXZPQSPQRF-HKUYNNGSSA-N	354.450	2.384	10	10	FECE	
Nc1ccc(CCNC(=O)NCC2CCN(C3CCOCC3)CC2)cc1	851663375	YHNXKBWWSAUNKS-UHFFFAOYSA-N	360.502	2.002	10	10	FECE	
CC1(C)CN(C(=O)C(=O)NCCc2ccc(N)cc2)CCc2ccccc21	851688228	TZCYZAWBPYWRPE-UHFFFAOYSA-N	365.477	2.290	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3nnc(C4CC4)o3)C2)cc1	854296077	BKDUTFSNDHVYTF-ZDUSSCGKSA-N	357.414	2.034	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)COc3cccc(OC)c3)C2)cc1	855231727	LOFRUZACQAYMPW-OAHLLOKOSA-N	356.422	2.478	10	10	FECE	
COc1cc(Cl)cc(CN2CC(S(=O)(=O)NC3CCCC3)C2)c1O	761217000	UFECYEQUIRRLHY-UHFFFAOYSA-N	374.890	2.100	10	10	FECE	
COc1cccc(-c2nc(C(=O)NCc3cccc(OC)c3O)no2)c1	769507529	JTEXZCXDBXYXCT-UHFFFAOYSA-N	355.350	2.389	10	10	FECE	
CCO[C@H](C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)[C@H]1CCOC1	865019394	SJWHHILPCMNHDD-AYBZRNKSSA-N	362.470	2.142	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)[C@H](C)c3ccncc3)CC2)cc1	865034446	RUIXUIHXGNOZML-QGZVFWFLSA-N	368.481	2.132	10	10	FECE	
Cc1cc(Br)c(O)c(CN(C)C[C@H]2CCS(=O)(=O)C2)c1	781906923	ABMKBQTZJDXXGK-LLVKDONJSA-N	362.289	2.330	10	10	FECE	
O=C(c1cncc2nc[nH]c12)N(Cc1ccccc1O)C[C@H]1CCCO1	896269156	DVLPYQHZXDZGKB-CQSZACIVSA-N	352.394	2.485	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)c2cn(C)nc2Br)c1	896163268	KVXSJSFRHRNHFK-QMMMGPOBSA-N	354.204	2.388	10	10	FECE	
CN[C@@H](C)c1ccc(N2CCS(=O)(=O)[C@H](C)C2)c(Br)c1	707162268	IXBDEMHOIQKOOH-MNOVXSKESA-N	361.305	2.353	10	10	FECE	
OC[C@H](CNCc1cc2c(cc1O)OCO2)Cc1ccc(F)c(F)c1	791004591	NKIUDAVEBZOVFW-LBPRGKRZSA-N	351.349	2.340	10	10	FECE	
CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NCc1c(O)cccc1F	1156171329	ZNOOLMJYIXIJJY-GJIAFCOMSA-N	352.431	2.405	10	10	FECE	
CO[C@@H]1C[C@@H](CNC(=O)Nc2ccc(N)cc2)N(C(=O)OC(C)(C)C)C1	2115816022	ANZBQJHMRCJOAT-LSDHHAIUSA-N	364.446	2.415	10	10	FECE	
C[C@H]1C[C@H](C(=O)NCCc2ccc(O)c(O)c2)N(C(=O)OC(C)(C)C)C1	2124308395	PNMOIZMYWONDQR-GXTWGEPZSA-N	364.442	2.402	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)NCc1c(O)cccc1O)CC1CC1	1178912624	VMHRBQGLPPGMNZ-UHFFFAOYSA-N	350.415	2.361	10	10	FECE	
COC[C@@H](F)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1O	1315822447	ULXYCNIKGNOECR-GJZGRUSLSA-N	364.421	2.109	10	10	FECE	
CC(C)(C)OC(=O)NCCn1cnc(C(=O)N2CCC[C@H]2CN=[N+]=[N-])c1	2124536763	SUBLUOGPSITLES-LBPRGKRZSA-N	363.422	2.323	10	10	FECE	
COc1ccc(N(C)CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)cc1	1171745839	DOSDLFAFUMDYDD-UHFFFAOYSA-N	372.816	2.399	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CC(Cc2ccoc2)C1	1340550376	JVFIDHHOIKPJDD-UHFFFAOYSA-N	367.449	2.197	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@]3(O)[C@H](N)c1ccccc1O	1920058990	GJXDPKOQTWJXQQ-UKSZIKKNSA-N	360.454	2.398	10	10	FECE	
CC(C)C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)Nc1nccs1	1545884182	MMPVZINCGUCSBA-LBPRGKRZSA-N	363.439	2.266	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1	1471660597	DTDVNFLFZGHBOI-GFCCVEGCSA-N	360.797	2.421	10	10	FECE	
Cc1c(NC(=O)Cc2ccc(O)c(O)c2)cccc1C(=O)N1CCOCC1	1625671885	NERHNOOPSJOVPX-UHFFFAOYSA-N	370.405	2.060	10	10	FECE	
COc1ccc(CNC[C@@H](C)N(C)C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cc1C	1482333132	NDBXMQPYSVDHBQ-AYOQOUSVSA-N	370.497	2.477	10	10	FECE	
CCc1nnc(N(C)C[C@@H](C)C(=O)NC)n1Cc1ccc(N(C)C)cc1C	1744537175	IQDHSVFSHNTYFG-OAHLLOKOSA-N	372.517	2.082	10	10	FECE	
Cc1ccc(-n2nnc(CC(=O)NCc3c(O)cccc3O)c2C)cc1	1597568124	AGSWDXQVOMWLDA-UHFFFAOYSA-N	352.394	2.154	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1C	1684228678	IESKEPVQHRMHDL-PBHICJAKSA-N	367.515	2.106	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC1CN(c2ccncn2)C1	1684848122	BDCJHSDUHWAFMJ-UHFFFAOYSA-N	366.469	2.107	10	10	FECE	
CS(=O)(=O)[C@H]1CCCN(c2ccc(CN)c(Br)c2F)C1	312858423	RKLTWDIVRFFELP-JTQLQIEISA-N	365.268	2.060	10	10	FECE	
CN(C(=O)CN1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2)c1ccc(N)cc1	2160683016	GKFQJAZNKQQCSI-RXVVDRJESA-N	364.493	2.438	10	10	FECE	
CCOc1cccc(CNCCN(C[C@@H](C)O)C(=O)OC(C)(C)C)c1O	382133450	KXWISKPAUYHOTE-CQSZACIVSA-N	368.474	2.498	10	10	FECE	
COC1(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)CN(C(=O)OC(C)(C)C)C1	2060642106	RDAGVSQWMGSEPY-GFCCVEGCSA-N	353.423	2.171	10	10	FECE	
C[C@@H](CN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1cc(O)c(O)c(O)c1	2068625352	XRFDHLGOTFWKQS-JTQLQIEISA-N	354.403	2.131	10	10	FECE	
CS(=O)(=O)[C@@H]1CCC[C@H]1NCc1cc(Br)cc(F)c1O	2205994810	CNGXLUIYALJJSC-VXGBXAGGSA-N	366.252	2.349	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)NCc1cccnc1OCC(F)F	2308006011	QRDBSIUJVCJRHK-UHFFFAOYSA-N	350.321	2.466	10	10	FECE	
O=C1NCCN(C(=O)C=Cc2ccc(O)c(O)c2)[C@@H]1c1ccccc1Cl	2308444587	UFCCBYOWDPASEF-GOSISDBHSA-N	372.808	2.464	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)COc3ccc(N)cc3)C[C@H]2C1	1892507932	JRRRUXGFRDSKBZ-DJJJIMSYSA-N	361.442	2.163	10	10	FECE	
CN[C@@H](CC(=O)NCc1ccc(C)c(Br)c1O)C(F)F	2381127692	ZTUKAHFIJMDIAA-VIFPVBQESA-N	351.191	2.323	10	10	FECE	
CC(C)COc1ccccc1NCc1nccn1S(=O)(=O)N(C)C	811469244	AGCWKNCIZPQNEZ-UHFFFAOYSA-N	352.460	2.185	10	10	FECE	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1[C@H]2COC[C@H]21	829028008	XGGSFQIOYAFTGF-FWYOQMDTSA-N	352.381	2.265	10	10	FECE	
O=[N+]([O-])c1cc(Cl)cc(CN2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1O	824653666	FCWDROYRWWKGGJ-GDLCADMTSA-N	356.806	2.316	10	10	FECE	
COc1ccc(-c2csc(NS(=O)(=O)c3ccnn3C)n2)cc1	727241991	PWNRFEUPWWUPSY-UHFFFAOYSA-N	350.425	2.353	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCN(c3ccc(C(N)=O)cn3)CC2)cc1	835024762	CKKKWMIJKJDLGP-ONEGZZNKSA-N	365.481	2.082	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](N)C(F)(F)F	830797420	KEVGWGVHLQKWPF-JTQLQIEISA-N	355.154	2.393	10	10	FECE	
CN1CCC2(CC1)CN(Cc1cccc(Br)c1O)CCO2	843432523	XYLAIIYGMROBNV-UHFFFAOYSA-N	355.276	2.451	10	10	FECE	
Cc1cc(CCNC(=O)[C@H](C)CS(C)(=O)=O)c(C)n1-c1ccccc1	746824266	DBVKKMAWSQTZEO-CQSZACIVSA-N	362.495	2.434	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H](N)c3c(F)cccc3F)C2)cc1	852843818	HVTGJFLKCZANGZ-SGTLLEGYSA-N	361.392	2.368	10	10	FECE	
CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2O)c1	751148902	AYFGMKHLRIMBEI-UHFFFAOYSA-N	368.842	2.226	10	10	FECE	
CCn1cc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)ccc1=O	853817807	NJVHQSSSPOKNJA-OAHLLOKOSA-N	356.426	2.277	10	10	FECE	
CC1(C)C[C@H](S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CO1	859001733	ZFSSSTWKNDJSEJ-CVEARBPZSA-N	369.483	2.271	10	10	FECE	
COC[C@H](CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)OC	854293945	YUZOHRBPXYDFDX-SJORKVTESA-N	366.458	2.134	10	10	FECE	
O=C1C[C@H](C(=O)NCc2ccc3cccnc3c2O)[C@H]2CCCC[C@@H]2N1	862025288	RRCULPFHTYOVSY-PMPSAXMXSA-N	353.422	2.252	10	10	FECE	
Cc1cc(CCN2C(=O)[C@H]3[C@H](O)CCCN3C2=O)c(C)n1-c1ccccc1	760969392	JEUYKAOXBVOUPQ-RTBURBONSA-N	367.449	2.424	10	10	FECE	
O=S1(=O)CCc2ccc(S(=O)(=O)Nc3ccc(O)c(Cl)c3)cc21	776748845	LEWKFYQTMOTEDY-UHFFFAOYSA-N	373.839	2.176	10	10	FECE	
CC[C@@H]1C(=O)N(CC)CCN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-]	777841675	UHSBFCZSUURPKP-RCQQVGEISA-N	361.398	2.228	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)Nc3cc(OC)nn3C)C2)cc1	881240566	QFOFIHHMLYAOKF-ZDUSSCGKSA-N	359.430	2.085	10	10	FECE	
O=C(NCc1ccccc1O)[C@@H]1CC[C@H](C(=O)O)N1Cc1ccccc1	688953946	HYGKHMYWPAWXCR-DLBZAZTESA-N	354.406	2.126	10	10	FECE	
COc1ccc(CNC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)c(O)c1	794388487	WBHDMUDTSFTNHP-SFHVURJKSA-N	370.405	2.448	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNCc1ccc(O)c(O)c1O	723833002	VHMFWODUXUGVQR-YPMHNXCESA-N	352.431	2.396	10	10	FECE	
COCCN(C)CCn1c(C(C)C)nnc1N(C)Cc1ccccc1O	1316067495	DSEAXWKOZXVVOD-UHFFFAOYSA-N	361.490	2.322	10	10	FECE	
COc1cccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c1O	2116273347	IPLVHSAGZFYMJZ-GJZGRUSLSA-N	366.458	2.108	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)C[C@@H](O)C1	2124537706	AYRVKSMEZHAPEF-HZSPNIEDSA-N	367.450	2.153	10	10	FECE	
Cc1ccc(CN(CC2CC2)C(=O)C(=O)N2Cc3cccc(O)c3C2)cn1	1332074821	QMEPCTMRBLTYMK-UHFFFAOYSA-N	365.433	2.377	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]2C[C@H]2C(F)(F)F)cc1	1333265859	XWFNJCIHEHVRPV-DZGCQCFKSA-N	371.403	2.464	10	10	FECE	
CO[C@@H](C)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1O	1503934267	DSPDOUWKOPXJMB-ZDUSSCGKSA-N	354.414	2.112	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(-c2cnn(C)c2)n1CCC(C)(C)O	1517142924	UVGYEJSCUADMKF-UHFFFAOYSA-N	370.457	2.182	10	10	FECE	
C=CCN(C)c1nnc(CC)n1Cc1ccc(N2CCOCC2)c(F)c1	1705844819	UMATUOKFJCNHPP-UHFFFAOYSA-N	359.449	2.487	10	10	FECE	
Cc1cc(CCNC(=O)NC(C)(C)CNC(N)=O)c(C)n1-c1ccccc1	1470968538	AOCIZDONYSJWGJ-UHFFFAOYSA-N	371.485	2.383	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)c1cc2nccc(C(F)(F)F)n2n1	1545639200	FXCRMGSRULHFPD-UHFFFAOYSA-N	352.272	2.089	10	10	FECE	
COc1ccc(-c2cc(C(=O)NCc3ccc(O)c(O)c3)n[nH]2)c(OC)c1	1635959247	GPDXXMSETPFOON-UHFFFAOYSA-N	369.377	2.435	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)[C@]3(CC(C)C)CCNC3=O)CC2)cc1	1632157942	JSENKSPPQHGTEX-NRFANRHFSA-N	373.497	2.286	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCC[C@@]2(CO)c2ccccc2)cc1	1655900374	WNSBMKOOGOGNMU-JOCHJYFZSA-N	367.493	2.352	10	10	FECE	
Cc1ccccc1C(=O)NC1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1	169875248	IEQONFUBSDLEAA-UHFFFAOYSA-N	370.405	2.146	10	10	FECE	
CCOc1cc(/C=C2/SC(=S)N(CCOCCO)C2=O)ccc1O	1858589309	NDPLHGVWKZUEAF-GXDHUFHOSA-N	369.464	2.001	10	10	FECE	
CN(C)CCOc1ccc(N(C)CN2C(=O)c3ccccc3C2=O)cc1	1990851627	UDPJBSBYPIXPKB-UHFFFAOYSA-N	353.422	2.317	10	10	FECE	
COC[C@@]1([C@H](N)c2ccccc2O)CN(C(=O)OC(C)(C)C)CCO1	2029560254	SNGQIHCDANVXSQ-CRAIPNDOSA-N	352.431	2.045	10	10	FECE	
Nc1ccc(OCCS(=O)(=O)N[C@@H]2CCC=C2Br)cc1	2196837280	PPJAGNXJCYRXFX-CYBMUJFWSA-N	361.261	2.008	10	10	FECE	
C[C@]1(CNCc2cc(Br)ccc2O)CCCS(=O)(=O)C1	2194276375	JXRKPWNDTHEHCK-CQSZACIVSA-N	362.289	2.459	10	10	FECE	
C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)NCc1ccccc1O	2060486528	ZWMFVORNHVJASA-IUODEOHRSA-N	350.415	2.033	10	10	FECE	
CCN1CCc2cc([C@H](N)[C@@H](O)C3(NC(=O)OC(C)(C)C)CC3)ccc21	2106854141	ZLAFLGPJHQQNHA-DLBZAZTESA-N	361.486	2.487	10	10	FECE	
C[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(O)[C@H](N)c1ccc2c(c1)CCN2C	2227162085	YMKYITZZSBZGLT-DUXSXAKTSA-N	361.486	2.439	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H](CCC(=O)N2CC[C@@H](N=[N+]=[N-])C2)C1	2263325621	LCFDBRNCVXAGIK-CHWSQXEVSA-N	353.423	2.314	10	10	FECE	
CN(CC1CC(S(C)(=O)=O)C1)c1ccc(CN)c(Br)c1	2285290049	XJEMNPDTOVHWHK-UHFFFAOYSA-N	361.305	2.167	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)C=Cc2ccc(N3CCOCC3)cc2)CN1C1CC1	2298049925	XZFZZLIGSSMNID-SJLPKXTDSA-N	355.482	2.278	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)NCc1ccnc(OCC(F)F)c1	2308009286	MCCINTGAQIQQKG-UHFFFAOYSA-N	350.321	2.466	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2312334514	YWQXAFDMBMYCSL-RNJOBUHISA-N	353.423	2.406	10	10	FECE	
C[C@H](CC(=O)N1CCc2cc(O)c(O)cc2C1)NC(=O)OC(C)(C)C	2318653249	DCCLORSQEHJUPB-LLVKDONJSA-N	350.415	2.286	10	10	FECE	
CCCS(=O)(=O)NC1CCN(Cc2cc3c(cc2O)CCC3)CC1	54514220	DDEXSHFKPQSQEH-UHFFFAOYSA-N	352.500	2.175	10	10	FECE	
CC[C@@H](C)[C@H](NC(N)=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1	66931678	LYXVBTSCMWYLHL-WBMJQRKESA-N	352.454	2.371	10	10	FECE	
CCS(=O)(=O)C[C@@H](C)N[C@H](C)c1ccc(N2CCC(O)CC2)cc1	89634517	QECMOGPSYRXGSM-HUUCEWRRSA-N	354.516	2.122	10	10	FECE	
COc1cnccc1[C@@H](C)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	807177633	CDTNSYBYULCWAD-ZIAGYGMSSA-N	370.453	2.211	10	10	FECE	
C[S@@](=O)CC1CN(c2ccc(C=CC(=O)O)c(Br)c2)C1	2166650244	JSMJLGCFXPSPCS-HXUWFJFHSA-N	358.257	2.362	10	10	FECE	
CCOc1ccc(O)c(CN2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c1	826894942	ZLRVJISJBSQZMQ-JSGCOSHPSA-N	367.389	2.198	10	10	FECE	
O=C1NCCN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@H]1c1ccccc1Cl	588432168	UFCCBYOWDPASEF-POZKEBTKSA-N	372.808	2.464	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN[C@@H](c2cnn(C)c2)C(C)(C)C)cc1	839542014	FXQHJPVPLCYSDZ-IBGZPJMESA-N	357.502	2.479	10	10	FECE	
O=C(O)/C=C/c1ccc(N2CC[C@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1	844215269	GLJQSIQYJQOCSO-KYXSCNQFSA-N	360.288	2.442	10	10	FECE	
CN(C(=O)NCCc1ccc(N)cc1)[C@@H]1CCN(c2ccccc2)C1=O	841954924	RTQYYFUXOVACKO-GOSISDBHSA-N	352.438	2.258	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@]4(CCOC4)C3)C2)cc1	852449157	QGEBJTMFLNREMB-JXFKEZNVSA-N	359.470	2.486	10	10	FECE	
C[C@@H](NC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1)c1ccc(N(C)C)cc1	852261933	WMOYIELWSPHDSN-RHSMWYFYSA-N	361.490	2.211	10	10	FECE	
COc1ccc(N(CC(=O)O)CC(=O)Nc2ccc3c(c2)CCOC3)cc1	853010739	KWVMUAANBFWAMJ-UHFFFAOYSA-N	370.405	2.298	10	10	FECE	
Cc1cn(C)nc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	850344894	AQDXYMDHMRIKOV-UHFFFAOYSA-N	369.469	2.316	10	10	FECE	
CC(=O)c1cc(F)cc(CN[C@]2(C(=O)OC(C)(C)C)CCOC2)c1O	852492351	PCOQUBSMYYYIEC-GOSISDBHSA-N	353.390	2.324	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC3CCC(N(C)C)CC3)C2)cc1	852386655	JAUUTGMQUUOOQO-CGZBRXJRSA-N	360.502	2.446	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3ccc(C)cc3F)C2)cc1	850537719	XPEJCNPGEGYEAJ-AWEZNQCLSA-N	371.412	2.476	10	10	FECE	
C[C@H](NCCCN1CCCS1(=O)=O)c1cc2c(cc1O)CCCC2	756688496	OMNOMYSJZLXTEP-AWEZNQCLSA-N	352.500	2.347	10	10	FECE	
COC(=O)[C@@H](C[C@@H]1CCCOC1)NCc1cc(F)c(N(C)C)cc1F	862515759	BPSACWFXKJBLPD-BLLLJJGKSA-N	356.413	2.479	10	10	FECE	
Cc1cc(CCN2C(=O)N[C@@]3(CCOC3)C2=O)c(C)n1-c1ccccc1	760969563	LFBWXRUNXOZEQJ-HXUWFJFHSA-N	353.422	2.348	10	10	FECE	
Cc1cccc2c1C[C@H](N1C(=O)CN(Cc3ccccc3O)C1=O)CO2	863520133	KCYVWFFGVSGHOH-HNNXBMFYSA-N	352.390	2.469	10	10	FECE	
Cc1cc(C(=O)NC2COC2)c(C)n1-c1ccc(Br)cn1	870872075	ZIQDORKATBXOJK-UHFFFAOYSA-N	350.216	2.380	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cnn(CC(=O)NC2CCCC2)c1	779504615	CJDPJSJYSAJKCM-SOFGYWHQSA-N	370.409	2.005	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cn1cnc2c1CCCC2	777795964	PEJDHMKFTDGLAP-UHFFFAOYSA-N	368.481	2.257	10	10	FECE	
CS(=O)(=O)c1cccnc1CNC(=S)Nc1ccc2c(c1)CCC2	782428735	ZBPSQZLSXNSZOP-UHFFFAOYSA-N	361.492	2.460	10	10	FECE	
CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(CC(=O)OC)cc1	790408677	GFBFPKCBXHTQLC-UHFFFAOYSA-N	365.407	2.307	10	10	FECE	
COC(=O)c1c(CNCCC(=O)NC(C)(C)C)c2cc(F)ccc2n1C	894249803	XKBBVSSJNOTYOE-UHFFFAOYSA-N	363.433	2.498	10	10	FECE	
COC(=O)[C@H]1[C@@H](CNCc2ccc(N3CCSCC3)cc2)C1(F)F	894191963	SYKIMPYQHOJNCO-HUUCEWRRSA-N	356.438	2.384	10	10	FECE	
C[C@H](N)c1ccc(N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1O	711806255	ZOIMBVFTRRBLPQ-KKSFZXQISA-N	355.482	2.485	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@@H](O)c1cccc(Br)c1	1304054038	BEWOKESTLSEUMM-AWEZNQCLSA-N	352.184	2.210	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cccc(O)c3O)C[C@H]2C1	2118159492	GFSYZPANZXKLHJ-CHWSQXEVSA-N	362.426	2.427	10	10	FECE	
COc1ccc(N2CCN(C(=O)CSCc3ccn(C)n3)CC2)cc1	1327500628	ZPDBMUDKDFERNW-UHFFFAOYSA-N	360.483	2.011	10	10	FECE	
C[C@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C[C@@H](C)N1C	1256237012	OSLAKXNPHFZMTH-FCEWJHQRSA-N	361.534	2.089	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1ccccc1CN1CCC(O)CC1	1466571490	VCOJIXUHERLTBV-UHFFFAOYSA-N	356.422	2.236	10	10	FECE	
Cc1cc(CN2CCC[C@H]3OCCNC(=O)[C@@H]32)ccc1N1CCCCC1	1460677032	NJKYGCXHHIFJDO-WOJBJXKFSA-N	357.498	2.465	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1CN(C2CCOCC2)C1	1623550288	WVNQJAOUEBKSOU-UHFFFAOYSA-N	357.498	2.356	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCC(=O)N2CCc3ccccc32)cc1	1631909512	OJDIWSBFYHKVOI-UHFFFAOYSA-N	351.366	2.168	10	10	FECE	
C/C=C(/C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1	1573167208	WVJAMZYSMVYOTQ-GEWSYHLHSA-N	361.442	2.080	10	10	FECE	
Cc1ccc(O)c(CNC(=O)[C@]2(O)CCCN(Cc3ccccc3)C2)c1	1584983938	VPUPLJYUNUPDLN-NRFANRHFSA-N	354.450	2.344	10	10	FECE	
CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(\C)NN1CCN(C)CC1	18246728	HVSFCHCYJQMHRG-XDJHFCHBSA-N	371.485	2.224	10	10	FECE	
CC(C)(C)OC(=O)NCC12COC(C(=O)NCc3ccccc3O)(C1)C2	2142251825	IJPXEUNDFODKAS-UHFFFAOYSA-N	362.426	2.082	10	10	FECE	
COc1cccc(CNCc2c(I)cnn2C)c1O	865867466	CAHJZKUPOPGVEF-UHFFFAOYSA-N	373.194	2.029	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4C[C@H](C3)C4N)ccc(N)c2C1	1876400181	YLJDQYPHYIEJAJ-NCNPBXTDSA-N	358.486	2.345	10	10	FECE	
CCNC(=O)C[C@@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1	1881482249	GRRQHNXUJVBUDZ-INIZCTEOSA-N	364.490	2.001	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(Cc2ccccc2O)C1	1972299960	FHZIDBHJSKOWHG-KBPBESRZSA-N	350.415	2.335	10	10	FECE	
O=S1(=O)CCC[C@]12CCN(Cc1c(O)cccc1Br)C2	708638694	AGIKXYVJMAKPKS-CQSZACIVSA-N	360.273	2.308	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@H](NC(=O)OC(C)(C)C)c1cnn(C)c1	2060634744	DCAYGTVTPGTUTB-LBPRGKRZSA-N	351.411	2.145	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1nccs1)C(=O)N1CC[C@H](N=[N+]=[N-])C1	2060635789	PHJFOPJUZPVACY-QWRGUYRKSA-N	366.447	2.490	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)CCOc1ccc(N)cc1	2106232150	ISGQEIDDXFPIQR-CJNGLKHVSA-N	363.458	2.409	10	10	FECE	
Cc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2CO)c(O)c1	2084071469	FDNSSEKUVKDGQP-JKSUJKDBSA-N	350.459	2.408	10	10	FECE	
COc1ccc([N+](=O)[O-])cc1C=C1C(=O)NN(c2ccc(C)cc2)C1=O	2297321494	XAJDIYBQHCHMJW-UHFFFAOYSA-N	353.334	2.373	10	10	FECE	
COc1ccc(N2CCN(C(=O)C=Cc3cnn(C)c3C)CC2)cc1F	2304185206	XVWKNXIUSDQZBC-UHFFFAOYSA-N	358.417	2.238	10	10	FECE	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)C(=CN2CCOCC2)SC1=S	2313610193	UOSXSVKINHYTMR-UHFFFAOYSA-N	365.436	2.442	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2331230367	KUEPENIRMSBLQU-MGPQQGTHSA-N	367.450	2.438	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)C(C)(C)N1CCN(C(=O)OC(C)(C)C)CC1	2337777494	TVMWEPXSBIKMGP-UHFFFAOYSA-N	368.482	2.477	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)COc3ccc(N)cc3)C[C@@H]2C1	1892507934	JRRRUXGFRDSKBZ-YJYMSZOUSA-N	361.442	2.163	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3CCC[C@H](N(C)C)C3)CC2)cc1	176636275	OJPMDVWPBUVZIU-AEFFLSMTSA-N	360.502	2.400	10	10	FECE	
CCOC(=O)[C@]12O[C@]1(c1ccc(OC)cc1)C(=O)c1ccccc1C2=O	101000011	QFGXRKONTYOFON-UXHICEINSA-N	352.342	2.302	10	10	FECE	
C[C@@H](O)CN(CCN[C@H](C)c1cc(O)ccc1O)C(=O)OC(C)(C)C	302114833	QWRLSFKLXPUHOD-CHWSQXEVSA-N	354.447	2.366	10	10	FECE	
CCc1nc2n(n1)C[C@H](NC(=O)NCc1c(O)ccc3c1CCCC3)CC2	174969743	YCBLYOGRZCGHDP-CQSZACIVSA-N	369.469	2.239	10	10	FECE	
CCOCCCN1CC[C@H](NC(=O)c2ccc(C)c(O)c2O)[C@@H](C)C1	245594529	IAKXLEZDMKQBFD-HOCLYGCPSA-N	350.459	2.273	10	10	FECE	
COC(=O)[C@@H](CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1)CC(C)C	255718973	GVTPEUOVKPLNEP-OTIVFRFGSA-N	374.481	2.488	10	10	FECE	
CC(=O)N1CC[C@@](C)(C(=O)NCc2cc(Br)ccc2O)C1	804736155	PBFFKDVUDLFUBR-OAHLLOKOSA-N	355.232	2.029	10	10	FECE	
COc1ccc(O)c(CN2CCOC3(C2)CN(C(=O)OC(C)(C)C)C3)c1	293772160	BGEAHHLMTBQVDK-UHFFFAOYSA-N	364.442	2.223	10	10	FECE	
COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)OCC(=O)C(C)=O)cc1	808512374	JCDKYBMKRFPTJZ-UHFFFAOYSA-N	373.336	2.402	10	10	FECE	
CC(=O)C(=O)COC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1	808503241	ISJCPQFHBDNLTJ-UHFFFAOYSA-N	350.758	2.414	10	10	FECE	
C[C@H](NC[C@H](CO)c1cccnc1)c1ccc(N2CCOCC2)c(F)c1	806180062	ZISCJDLGFMTFFL-MAUKXSAKSA-N	359.445	2.484	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CC[C@@H](OC(=O)N(C)C)C2)c([N+](=O)[O-])c1	294855636	BOHDLCXPDLDCGU-VUDGCMKMSA-N	363.370	2.058	10	10	FECE	
C[C@@H](NC(=O)N[C@H]1CCc2nc[nH]c2C1)c1ccc(N2CCOCC2)cc1	811867628	PWGZRWNMUPTRKV-ZBFHGGJFSA-N	369.469	2.164	10	10	FECE	
CCN(CC)CC1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1	728570778	OTZYZBMNRLKCKK-UHFFFAOYSA-N	360.546	2.423	10	10	FECE	
COc1ccc(O)c(CNC(=O)CCc2cc(OC)c(O)c(OC)c2)c1	830543665	AYEYLTZXYWCSNH-UHFFFAOYSA-N	361.394	2.373	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)cc2)C1	738983561	GPFOPKOHOHQKOP-IMBTUZDBSA-N	370.497	2.376	10	10	FECE	
COc1cccc(CNC(=O)NCc2nccn2CC(F)(F)F)c1O	745798562	HEZPJQLRMPCKKD-UHFFFAOYSA-N	358.320	2.159	10	10	FECE	
CC[C@H]1C(=O)N(Cc2ccc(N3CCN(C)CC3)cc2)C(=O)N1C1CC1	925081401	ZHHGORDCXHBAGT-SFHVURJKSA-N	356.470	2.144	10	10	FECE	
C[C@@H](NC(=O)NCC1CCC(S(C)(=O)=O)CC1)c1ccccc1O	924289632	VWSYWXUXDAVLTM-IYXRBSQSSA-N	354.472	2.356	10	10	FECE	
C[C@H]1CS(=O)(=O)CCCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	922053110	CAGAVAYRRFPLAC-UONOGXRCSA-N	353.488	2.032	10	10	FECE	
Cc1ccc([C@H](C)NCC(=O)NCC(=O)N(C)Cc2ccccc2)c(O)c1	926963060	CGZBSJBDECAUJN-INIZCTEOSA-N	369.465	2.126	10	10	FECE	
C[C@@H](N[C@@H](CO)c1ccnn1C)c1ccc(N2CCOCC2)cc1Cl	858434864	RKEGXKAHIOBWPI-DYVFJYSZSA-N	364.877	2.294	10	10	FECE	
O=C(NCCO[C@@H]1CC1(F)F)NCc1cccc(Br)c1O	852528249	RVNBONKOTYWOBO-SNVBAGLBSA-N	365.174	2.378	10	10	FECE	
COC(=O)c1ccc(S(=O)(=O)NCc2ccccc2O)cc1Cl	751151007	NHPGPTWIZHLLJI-UHFFFAOYSA-N	355.799	2.311	10	10	FECE	
Cc1nc(C2(NCC(=O)N(C)Cc3ccc(N(C)C)cc3)CCCC2)no1	750544481	FIEJGBBQHJVBCQ-UHFFFAOYSA-N	371.485	2.462	10	10	FECE	
Cc1cc(C(=O)N2CC[C@@H](Cn3ccnn3)C2)c(C)n1-c1ccccn1	855240397	PUQMSKQBUBWQMP-MRXNPFEDSA-N	350.426	2.243	10	10	FECE	
O=C1CCCc2cc(S(=O)(=O)N3Cc4cccc(O)c4C3)ccc2N1	867690783	UHGAKVVRVHYYHR-UHFFFAOYSA-N	358.419	2.372	10	10	FECE	
CO[C@@H](C)c1cccc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1	785304585	QGXQQTKUGPELMN-STQMWFEESA-N	372.421	2.491	10	10	FECE	
COC(=O)c1c(CNCCNC(=O)c2ccco2)c2cc(F)ccc2n1C	894163001	DTOKXWCZTQVYTP-UHFFFAOYSA-N	373.384	2.217	10	10	FECE	
C[C@H](NC[C@@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1cc(O)ccc1O	2116205945	OVVGOXRQMLYESA-ZILJWTLNSA-N	366.458	2.413	10	10	FECE	
COc1ccc(CNC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)cc1C	1251462529	BMBVKUOISMPPPF-LJQANCHMSA-N	350.459	2.465	10	10	FECE	
COCC1(C(=O)N(C)Cc2ccccc2O)CN(C(=O)OC(C)(C)C)C1	2124160957	SZWDGMDUVAXTID-UHFFFAOYSA-N	364.442	2.234	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CC[C@H]2[C@H](C1)C2(F)F	1233603188	BHGCGUJHJFECAM-IRXDYDNUSA-N	365.424	2.444	10	10	FECE	
CSc1cccc(N2C[C@H](C(=O)NCc3cccc(O)c3O)CC2=O)c1	1348036543	RXVNPGKQJYEBFA-CYBMUJFWSA-N	372.446	2.489	10	10	FECE	
Nc1ccc(NC(=O)CN2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1	2132352636	HHYUPVMZVZROMS-PXNSSMCTSA-N	350.466	2.414	10	10	FECE	
CO[C@]1(c2nnc(N(C)Cc3ccccc3O)n2CC2CC2)CCOC1	1348038475	FTCXGCMGFLJAIJ-LJQANCHMSA-N	358.442	2.292	10	10	FECE	
CC[C@](C)(O)CN(Cc1ccccc1)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1	1915188125	WFMQGBJRURLEIX-UWJYYQICSA-N	372.465	2.157	10	10	FECE	
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(O)cc1O	1299575423	ZWVGSRBDCJLRCC-CYBMUJFWSA-N	370.471	2.360	10	10	FECE	
CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O	1293284651	QUCWNGVSMPACGF-LLVKDONJSA-N	371.319	2.084	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](CO)[C@H]2CCOC2)c1	1546304409	ILINUMKAJMSJHW-LPHOPBHVSA-N	356.422	2.034	10	10	FECE	
O=C(CNC(=O)Cc1cccc(F)c1)NCc1ccc2cccnc2c1O	1570531911	SKYWZMNPHJIMTH-UHFFFAOYSA-N	367.380	2.055	10	10	FECE	
CCc1c(C(=O)NCc2ccc(O)cc2O)nnn1Cc1ccccc1	1570462032	ARTNDZGDIMLHCN-UHFFFAOYSA-N	352.394	2.230	10	10	FECE	
Cc1ccc(O)c(CNC(=O)c2sc(S(N)(=O)=O)c(C)c2Cl)c1	1584983085	BYHRZCAGCTZSQF-UHFFFAOYSA-N	374.871	2.301	10	10	FECE	
Cc1nnc(N(C)[C@@H]2CCOC2)n1Cc1ccc(N2CCSCC2)cc1	1762507531	IEPQPKWEWRWWQB-GOSISDBHSA-N	373.526	2.413	10	10	FECE	
CN(CCN(C)C(=O)c1cccc(O)c1O)C(=O)OCc1ccccc1	1982314480	PYMFOQGPNKLAFD-UHFFFAOYSA-N	358.394	2.438	10	10	FECE	
COc1cc(N)c(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)cc1OC	2153992110	DXDOZQGXLSQSAM-RXVVDRJESA-N	369.465	2.376	10	10	FECE	
CC(C)(C)OC(=O)N1CCCO[C@@H](CNCc2ccc(O)cc2O)C1	389890742	KEWCOQMGQNSRQE-HNNXBMFYSA-N	352.431	2.213	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2c2ccc(N)cc2)CC1	2163115795	KNQLJSCQRPEBHR-KRWDZBQOSA-N	374.485	2.317	10	10	FECE	
CN1CCc2cc([C@H](CNS(=O)(=O)Cc3ccccc3)N(C)C)ccc21	8800839	GWSSKBNNJOEVQU-FQEVSTJZSA-N	373.522	2.401	10	10	FECE	
C[C@H](CCN(C)C(=O)OC(C)(C)C)NC(=O)COc1ccc(N)cc1	2049139012	WWIZHACNRVOECG-CYBMUJFWSA-N	351.447	2.409	10	10	FECE	
Cc1cccc(O)c1CNC[C@@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1	2052663856	RAKUHRPRBZXJQF-YSVLISHTSA-N	350.459	2.454	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCC(CN=[N+]=[N-])CC2)C1	2060632873	GYNYQXAVXFFJFI-ZDUSSCGKSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC[C@H]2CN=[N+]=[N-])CCCOC1	2060617410	NDKMHQKYUYYMJI-BLLLJJGKSA-N	353.423	2.362	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060636667	ALQKFMMRGRTBHY-RWMBFGLXSA-N	353.423	2.218	10	10	FECE	
Cc1cccc(CNC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCOC2)c1O	2084062293	DCJAKHWFJAWTNU-GOSISDBHSA-N	350.415	2.001	10	10	FECE	
NC(=O)C1(NCc2c(O)cccc2F)CCN(Cc2ccccc2)CC1	2104477905	NXRAVPLETJJBID-UHFFFAOYSA-N	357.429	2.141	10	10	FECE	
CN(c1cc2c(cc1N)OCC(=O)N2)C(C)(C)CNC(=O)OC(C)(C)C	2106714597	PAGXMDNMAHENSS-UHFFFAOYSA-N	364.446	2.339	10	10	FECE	
CC(C)(C)OC(=O)NCC12COC(C(=O)N[C@H]3CCC[C@@H]3N=[N+]=[N-])(C1)C2	2225791398	CYOOAGZTFNWUJO-MQAIEQDTSA-N	365.434	2.408	10	10	FECE	
COc1ccc(O)c(CNc2cnn(C)c2I)c1	2254181777	AYFILLJGYSVOMS-UHFFFAOYSA-N	359.167	2.351	10	10	FECE	
CC(C)(C)OC(=O)N1CC(N2CCC[C@H]2C(=O)NCCCCN=[N+]=[N-])C1	2271807794	CIURZVPHIQFGQU-AWEZNQCLSA-N	366.466	2.277	10	10	FECE	
CSCC[C@@H](C(=O)O)N1C(=O)C(=Cc2cccn2C)SC1=S	2296882988	HPHYVEJFFVYTJV-JTQLQIEISA-N	356.494	2.433	10	10	FECE	
CN(C)c1ccc(C=CCN2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1	2297519273	QLDRRUFIMOGVEJ-FQEVSTJZSA-N	356.470	2.076	10	10	FECE	
COC(=O)CCCCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	69245931	JCVOMWYVWWADSR-INIZCTEOSA-N	364.442	2.426	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCC[S@@](=O)C(C)(C)C)CC2)cc1	172076301	OQJPRQNZWFOYCL-RUZDIDTESA-N	367.515	2.074	10	10	FECE	
COc1cccc(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)n1	185689237	TXTCUSHNBVQRQT-UHFFFAOYSA-N	369.465	2.158	10	10	FECE	
O=C(Cn1cnc2ccccc2c1=O)NCc1c(O)ccc2c1CCCC2	75159509	RQGBKAUNLMOZQH-UHFFFAOYSA-N	363.417	2.297	10	10	FECE	
CCCC[C@@H](NC(=O)NCC)C(=O)NCc1ccc(N(C)C)c(F)c1	137438218	RXHQOKCPVIUGPU-OAHLLOKOSA-N	352.454	2.386	10	10	FECE	
C[C@H]1CN(Cc2ccccc2)CCN1CC(=O)N(C)c1ccc(N)cc1	382671960	ZREAJKCXDOTJHF-KRWDZBQOSA-N	352.482	2.438	10	10	FECE	
COc1ccc(N2CCN(C(=O)CCN(C(C)=O)C(C)(C)C)CC2)cc1	243530161	OCWRHVJLRDARLU-UHFFFAOYSA-N	361.486	2.381	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)C3(CCF)CC3)CC2)cc1	289345172	JWJZEJLPMLJXJD-UHFFFAOYSA-N	363.477	2.463	10	10	FECE	
CC(=O)N(C)C1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1	2381869581	UTTIMBRWAIAQCE-UHFFFAOYSA-N	374.485	2.229	10	10	FECE	
O[C@@H](CNCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(F)cn1	819358526	KAFMXWQEPPMWIP-KRWDZBQOSA-N	367.371	2.159	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(C)cc(O)n1	815952176	CIPSCMIMDLCKKM-UHFFFAOYSA-N	364.785	2.270	10	10	FECE	
CCN(CC)c1ccc(CN(C)c2nnc(-c3cn(C)nn3)n2C)cc1	828248938	PBHGYLMQMPZBPD-UHFFFAOYSA-N	354.462	2.093	10	10	FECE	
CC1(C)OC[C@@H]2C[C@]21C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	829264363	PPJGJOZFBCCDMJ-VBKZILBWSA-N	362.445	2.218	10	10	FECE	
C[C@@H](NC(=O)NCc1cc(Br)ccc1O)c1ccn(C)n1	838772596	FNRBJSVVHHSBFZ-SECBINFHSA-N	353.220	2.449	10	10	FECE	
CN(C(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccn(C)n1	832368581	BKLCBRSPWLUZPM-GFCCVEGCSA-N	374.445	2.144	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3CC[C@@H]4C[C@H]4C3)CC2)cc1	834699170	XMSILTXNKJFVGC-HLLBOEOZSA-N	371.481	2.085	10	10	FECE	
CN1CCCc2cc(CNC(=O)NCc3noc4c3COCC4)ccc21	915391335	ZPWZPDPVFSEQLK-UHFFFAOYSA-N	356.426	2.129	10	10	FECE	
C[C@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)C[C@H](c2ccc(F)cc2)O1	841049898	XMDAVZAAJJKSIV-YVEFUNNKSA-N	357.385	2.335	10	10	FECE	
COC1(C[C@H]2NC(=O)N(Cc3ccc4c(c3)CCCN4C)C2=O)CCC1	844720357	MLGBFIPQWADZHP-MRXNPFEDSA-N	357.454	2.449	10	10	FECE	
C[C@@H](NC[C@]1(CO)COCCN1Cc1ccccc1)c1cc(F)ccc1O	850555169	MRPBKTJRRLRPIU-IERDGZPVSA-N	374.456	2.445	10	10	FECE	
Fc1cc(CNC2(c3ncccn3)CCOCC2)ccc1N1CCOCC1	923010336	ZVLJTFAUZOCMLU-UHFFFAOYSA-N	372.444	2.248	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn([C@@H]2CCCNCC2)nn1	852882950	TXWVQPOZZHHVSC-GOSISDBHSA-N	370.501	2.321	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc(Br)n[nH]3)CC2)cc1	854198674	NUHKWMDTOLQSDU-UHFFFAOYSA-N	365.231	2.143	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)COc3cccc([N+](=O)[O-])c3)C2)cc1	855232364	QNEWOVRTUIDSHU-CQSZACIVSA-N	371.393	2.377	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3[nH]nnc3-c3ccccc3)C2)cc1	855225935	MICHNQIRTMPHEC-HNNXBMFYSA-N	363.421	2.489	10	10	FECE	
C[C@@H]1C[C@@H]1c1noc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n1	865894486	MVBYFAWOINCOTK-CJNGLKHVSA-N	356.426	2.302	10	10	FECE	
COC(=O)c1ccc(CC(=O)NCc2ccc(N3CCCC3)cc2)cn1	864863076	NHUDREAZGQRFSJ-UHFFFAOYSA-N	353.422	2.327	10	10	FECE	
COc1ccc(N2CCCN(C(=O)Nc3cc(OC)nn3C)CC2)cc1	881252134	WHHNTQBICZEQFZ-UHFFFAOYSA-N	359.430	2.182	10	10	FECE	
CC[C@H](Cn1cncn1)NCc1ccc(N2CCN(CC)CC2)c(F)c1	788596296	YOFIKMPYSBTNAN-QGZVFWFLSA-N	360.481	2.128	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)c3ccc(F)cc3N)cc2)CC1	1155603476	BDJOQKKLDKTJKH-UHFFFAOYSA-N	370.428	2.040	10	10	FECE	
C[C@@H](NC(=O)C(=O)NC1CC2(C1)CC2(F)F)c1ccc(N(C)C)cc1	1328034940	GQDVCBOLFMGXQV-FFLHNBHYSA-N	351.397	2.234	10	10	FECE	
C[C@@H]1CSCCCN1C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	1332872240	RRMUXJPFSZUZKF-OAHLLOKOSA-N	359.495	2.033	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)CC1	2132411056	RURDMIUMONDCAF-LBPRGKRZSA-N	366.414	2.323	10	10	FECE	
C[C@H](NC(=O)C(=O)N1CC[C@@]2(C1)CC2(F)F)c1ccc(N(C)C)cc1	1261536995	FEJZSQBLTSYTEF-SJCJKPOMSA-N	351.397	2.188	10	10	FECE	
CCN1CCOC[C@@H]1C(=O)NCCc1cc(C)n(-c2ccccc2)c1C	1438178837	OZMKPWBBNUOKRX-HXUWFJFHSA-N	355.482	2.474	10	10	FECE	
CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(N=NC(N)=O)cc1	1464917946	LGFDGFLANYOWKE-INIZCTEOSA-N	367.409	2.278	10	10	FECE	
CNc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)nc1	1465423475	VNBMZAWIKZNPJB-UHFFFAOYSA-N	358.417	2.154	10	10	FECE	
Nc1cc(F)c(F)cc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	1630550502	PKOMYRLVHQJEJS-UHFFFAOYSA-N	365.355	2.453	10	10	FECE	
Cc1nnc(N2CCO[C@H](C)C2)n1Cc1ccc(N2CCSCC2)cc1	1492945836	YGCUIDNFOCPBCE-OAHLLOKOSA-N	373.526	2.413	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)N3CC(N[C@@H]4CCOC4)C3)ccc21	1639364758	GLSIJHUQNXKFSO-QGZVFWFLSA-N	371.481	2.107	10	10	FECE	
CC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1	1746619950	FAGPFYORWLPCBA-YWPYICTPSA-N	359.430	2.377	10	10	FECE	
CC(C)N(CCN(C)C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1676653021	GAMGANZCXHKBBP-IBGZPJMESA-N	363.550	2.337	10	10	FECE	
CCC[C@@H](CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)OC	1682640084	NQUFMONWBBQYBY-ZWKOTPCHSA-N	350.507	2.470	10	10	FECE	
Nc1ccc(-n2nnc(C(=O)NCc3cccc(C(F)(F)F)c3)n2)cc1	1857879102	UXYSCVBCOZFXQD-UHFFFAOYSA-N	362.315	2.193	10	10	FECE	
C[C@H](NC(=O)[C@@]1(CO)CCCN1C(=O)OC(C)(C)C)c1ccccc1O	1877573444	KXCXSZVMGZSSDE-DJJJIMSYSA-N	364.442	2.331	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CCO)(CNCc2ccc3c(c2)CCO3)C1	1972800128	JWKMTEBNPJEVQI-UHFFFAOYSA-N	362.470	2.331	10	10	FECE	
C[C@H](c1cc(Br)ccc1O)N1CC[C@H]2CS(=O)(=O)C[C@H]21	2151233282	RTVBNTYAYYDKQB-GBIKHYSHSA-N	360.273	2.335	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCc1cccc(O)c1O	2030121934	DOTBVTPOWMDJGJ-UKRRQHHQSA-N	352.431	2.212	10	10	FECE	
CC(C)(C)OC(=O)NCCO[C@H]1CCN(Cc2cc(N)ccc2O)C1	2049894422	XDIJHKHHIFGLGA-HNNXBMFYSA-N	351.447	2.090	10	10	FECE	
CC(C)(C)OC(=O)N1CC([C@@H](F)CNC(=O)c2ccc(O)c(O)c2)C1	2054397118	BENAOIVDRWZNRS-LBPRGKRZSA-N	354.378	2.033	10	10	FECE	
N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCC[C@@H](OCc2ccccc2)C1	2186375233	XDZWETDPACIYNO-MSOLQXFVSA-N	370.449	2.175	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)c1c(CNC(=O)OC(C)(C)C)cnn1C	2060620338	YYTNVDDFLGUTRN-UHFFFAOYSA-N	351.411	2.217	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060610014	CJNUYXQGQQIJLF-XQQFMLRXSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N[C@@](C)(C(=O)N1CCC[C@H](N=[N+]=[N-])C1)C(C)(C)O	2060639055	DNXAXVIYLBPCDS-ZBEGNZNMSA-N	355.439	2.342	10	10	FECE	
C[C@@H]1OC2(CNC(=O)OC(C)(C)C)CC1(NCc1cccc(O)c1O)C2	2100615127	DCGXTRJMUYICAV-RMEHTXHKSA-N	364.442	2.402	10	10	FECE	
CCOC(=O)C[C@H](O)CN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1	2106580218	SYVJNSBNFYHKNK-INIZCTEOSA-N	366.458	2.462	10	10	FECE	
C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCN1c1cc2c(cc1N)OCC(=O)N2	2106713890	XLQQGRBSRGILDG-CMPLNLGQSA-N	362.430	2.092	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]1(O)[C@@H](N)c1ccc2c(c1)CCN2C	2106857462	LEIGWNGGYVAFBT-ASUYLVSUSA-N	361.486	2.297	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@H]1C[C@H](OC)CN(C(=O)OC(C)(C)C)C1	2315988771	LRMAWFKNMXBWOC-STQMWFEESA-N	355.439	2.417	10	10	FECE	
COc1ccc(OC)c([C@H]2CC(=O)NC(NC(=O)c3ccc(C)cc3)=N2)c1	6868800	KVTCCRNSIFPFKE-MRXNPFEDSA-N	367.405	2.359	10	10	FECE	
O=C1C[C@H](c2ccc(Cl)cc2)N=C(NC(=O)c2ccc3c(c2)OCO3)N1	20924506	MRMULFNFCBEDRU-CYBMUJFWSA-N	371.780	2.416	10	10	FECE	
COc1ccc(N2CCCN(C(=O)NCCN3CCCCC3)CC2)cc1	56813718	KIVUKIAOCIEJPH-UHFFFAOYSA-N	360.502	2.403	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCN(c3ccccc3)CC2)cc1	58018747	AMRGDWRPYDFGTK-UHFFFAOYSA-N	352.482	2.191	10	10	FECE	
CN(C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@@H]1CCOC1	119121621	VUTBWEQUXIODCX-HXUWFJFHSA-N	372.513	2.149	10	10	FECE	
C[C@]1(C(=O)NCCc2ccc(O)c(O)c2)CCCN1C(=O)c1ccccc1	122182291	LPQNCRHYPAPSKC-OAQYLSRUSA-N	368.433	2.451	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H](C)Cc3cc(C)[nH]n3)CC2)cc1	177889703	BBLYFCOYAKQYOK-CQSZACIVSA-N	357.458	2.190	10	10	FECE	
CCn1cc(CN2CCCN(Cc3cc4c(cc3O)OCO4)CC2)cn1	121645854	VBIRCFINCOBSOF-UHFFFAOYSA-N	358.442	2.045	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cc1	211001890	QLDRRUFIMOGVEJ-BBIZLLLXSA-N	356.470	2.076	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](O)(CNCc2ccc3c(c2)CCO3)C1	1251334573	LNHZIXWZWUELKW-HXUWFJFHSA-N	362.470	2.473	10	10	FECE	
Cc1ccc(CN=[S@@](C)(=O)N2CCOCC2)c(O)c1Br	2381144036	WNBRVSPPCXFQLK-HXUWFJFHSA-N	363.277	2.308	10	10	FECE	
O=C(CC(F)(F)F)NC[C@@H]1CCCN(C(=O)c2cc(O)cs2)C1	807668746	GJDHGPMOTPEKEB-VIFPVBQESA-N	350.362	2.375	10	10	FECE	
CC1(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C[C@@H]2C[C@H]2C1	815074332	PDEWRASGVDJTNU-ULQDDVLXSA-N	355.482	2.441	10	10	FECE	
C[C@H]1CN(c2ccc(CNC[C@H](O)C(F)(F)F)cc2F)C[C@@H](C)O1	818967642	XPPOXUVPWKPYOU-RWSFTLGLSA-N	350.356	2.452	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H](O)C1CCC1	825294104	GXBZCLFPSIHQFK-INIZCTEOSA-N	372.387	2.319	10	10	FECE	
CCc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)no1	740491924	PWXGBJVJXURDGW-UHFFFAOYSA-N	356.426	2.433	10	10	FECE	
C[C@@H](NCC(C)(C)[C@@]1(O)CCOC1)c1ccc(N2CCOCC2)c(F)c1	842919194	JMUBTLKHYOEYEM-FOIQADDNSA-N	366.477	2.491	10	10	FECE	
CC(=O)N(C)CC(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	914921301	JPXSPUYBJKIGHH-UHFFFAOYSA-N	360.385	2.437	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)NC3([C@@H]4CCCCO4)CC3)cc2)CC1	924008265	RSFJHVDQLLOAHM-IBGZPJMESA-N	372.513	2.339	10	10	FECE	
C[C@@H](C(=O)NCc1ccccc1O)c1ccc(S(=O)(=O)N(C)C)cc1	752794724	BJHNCLBGYLEIFS-CYBMUJFWSA-N	362.451	2.062	10	10	FECE	
CC12CC(CN1C(=O)NCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)C2	853463094	FYLBRHZFDLQDJH-LFDOHDQPSA-N	356.470	2.082	10	10	FECE	
C[C@H](NC(=O)N1C2CCC1(C(=O)O)CC2)c1ccc(N2CCOCC2)cc1	864520789	GMLRMZSNJAPMHY-JTOQLSFASA-N	373.453	2.375	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccnc1N1CCC(CO)CC1	862263257	UDZCZGRBDHKADI-GQCTYLIASA-N	369.421	2.353	10	10	FECE	
CC1CCN(c2ccc(CN3C(=O)N[C@@H](c4ccn(C)n4)C3=O)cc2)CC1	761273208	AIQQAIALCSRZKL-SFHVURJKSA-N	367.453	2.450	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CN3CCCN2CC3)cc1	774276297	SSCFBYVKQBODSQ-HXUWFJFHSA-N	352.482	2.214	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)c3cncc(Cl)c3)cc2)CC1	894591543	DVLFVSYBJKQLIL-UHFFFAOYSA-N	372.856	2.367	10	10	FECE	
O=S1(=O)CC(C2CN(Cc3ccc(OCc4ccccc4)cc3O)C2)C1	895426815	BUFOMTKSGQVDFF-UHFFFAOYSA-N	373.474	2.448	10	10	FECE	
CN1C(=O)[C@H](O)c2ccc(N3C[C@@H]4CN(Cc5ccccc5)C[C@H]4C3)cc21	705959769	QTAUGNGJRXZKRV-XGHQBKJUSA-N	363.461	2.265	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NCc1cc(F)cc(F)c1O	708535999	SKDLIKSVDRTGCW-ADSMDIBLSA-N	370.396	2.441	10	10	FECE	
O=S(=O)(C[C@@H]1CCCOC1)NCc1cc(Br)ccc1O	796190533	IMOGLYRSDBGNFN-SNVBAGLBSA-N	364.261	2.001	10	10	FECE	
COCC(=O)N1CCc2c(NC(=O)/C=C\c3ccc(O)c(O)c3)cccc21	1153878085	WPPTYISHRGTSMJ-VURMDHGXSA-N	368.389	2.285	10	10	FECE	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@@H]2CNC(=O)C2)cc1	1312869191	XGSLOAVLMAPERJ-INIZCTEOSA-N	370.453	2.194	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)N3CCCC3(C)C)C2)cc1	1325941220	YRERDRPGUDFEGX-OAHLLOKOSA-N	359.470	2.039	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc[n+]([O-])c3)cc2F)C[C@@H](C)O1	1346582785	CABZKCNBFWQOMX-OKILXGFUSA-N	374.416	2.394	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)NC[C@]34CCCC[C@@H]3C4)C2)cc1	1351571522	SOIRIQRONZANAY-VWKPWSFCSA-N	371.481	2.087	10	10	FECE	
CN1CCN(c2ccc(CN3CC[C@H]4CC[C@@H](C3)[S@]4=O)cc2F)CC1	1351626868	CNPHWMNVWAKZJE-YPBQGGFRSA-N	365.518	2.063	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)c1ccc2c(c1[N+](=O)[O-])OCCCO2	1294868992	ITXNVRNSRRHBPV-UHFFFAOYSA-N	360.322	2.097	10	10	FECE	
COc1nn(C)cc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	1527058814	ZOEGHAIPZGYJOG-UHFFFAOYSA-N	361.357	2.456	10	10	FECE	
CCOCCN(C)c1nnc(CC)n1Cc1ccc(N2CCOCC2)cc1	1617145580	ZXERAPOAVWUTGR-UHFFFAOYSA-N	373.501	2.198	10	10	FECE	
CC(C)n1ccnc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	1544630531	PHVNCDWNFSFLQB-UHFFFAOYSA-N	360.433	2.494	10	10	FECE	
CC(C)(C)OC(=O)NC[C@](C)(NC(=O)Cc1ccc(O)c(O)c1)C1CC1	1627203407	JWMAIEDONLCZPM-IBGZPJMESA-N	364.442	2.450	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3snc(O)c3Cl)CC2)cc1	1622438249	MKGVIKZHINYRFA-UHFFFAOYSA-N	353.831	2.473	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CCS1(=O)=O	1558517648	LDAZYFIRKGFPHN-PSASIEDQSA-N	355.437	2.008	10	10	FECE	
CO[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)C12CCC2	1636006220	MGVKMGYHLIWWAC-MOPGFXCFSA-N	372.513	2.195	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(Br)nc1O	1567467100	AUULJJMOKZNVIS-QMMMGPOBSA-N	367.199	2.322	10	10	FECE	
Cc1nn(Cc2ccccc2)c(N)c1C(=O)NCc1ccc(O)cc1O	1570462094	DEILXIYWPOBWLJ-UHFFFAOYSA-N	352.394	2.163	10	10	FECE	
CCN1CCN(c2nnc(C)n2Cc2ccc(N(C)C)c(F)c2)C[C@@H]1C	1695894365	ZCAAZIBLRQJNFK-AWEZNQCLSA-N	360.481	2.370	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](CO)[C@H](N(C)C)C2)cc1	169786461	PBYUYVDKLCMBQL-UYAOXDASSA-N	355.482	2.479	10	10	FECE	
COC(=O)[C@H](O)CNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C	155370220	FRDKYNHZBULMCK-OAHLLOKOSA-N	350.802	2.011	10	10	FECE	
C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCc1ccccc1O	286881118	ZWMFVORNHVJASA-DOMZBBRYSA-N	350.415	2.033	10	10	FECE	
COc1ccc(C=C2SC(=S)N(CCN3CCOCC3)C2=O)cc1	2040489648	OHGQDVGQJLCPMW-UHFFFAOYSA-N	364.492	2.229	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])CO1	2060610379	HEVRUBPMKLBTKL-YNEHKIRRSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)C1	2060611853	ZBHLUUCKYCHQLD-LRDDRELGSA-N	353.423	2.314	10	10	FECE	
CO[C@@]1(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)CCN(C(=O)OC(C)(C)C)C1	2060616687	DPSIMNPEYIQOCF-WBMJQRKESA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)CC1	2063391911	VJAXMOUBCKNTMQ-GFCCVEGCSA-N	353.423	2.050	10	10	FECE	
COC[C@@H](CC(=O)N[C@@H](C)c1ccccc1O)NC(=O)OC(C)(C)C	2072470288	GGQCHBVRIORUDF-QWHCGFSZSA-N	352.431	2.499	10	10	FECE	
CN(C(=O)CN1C[C@@H]2C[C@H]2[C@H]1CNC(=O)OC(C)(C)C)c1ccc(N)cc1	2198986171	ZYXYWSSLPVYPFO-IAOVAPTHSA-N	374.485	2.077	10	10	FECE	
CN(C(=O)CN(C)C(C)(C)CNC(=O)OC(C)(C)C)c1ccc(N)cc1	2106690034	IZOHHUOKGITQMO-UHFFFAOYSA-N	364.490	2.467	10	10	FECE	
COc1cc(N)c(N2C[C@H](C)C[C@@H](NC(=O)C(F)(F)F)C2)cc1OC	2106843261	HJNFVICURQTAHZ-NXEZZACHSA-N	361.364	2.179	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2218738506	PQYZCAAHIOQGKY-XQHKEYJVSA-N	353.423	2.358	10	10	FECE	
COc1cc(OC)c(N(Cc2ccccc2)CC2(O)CNC2)cc1OC	2273714585	NADWGWPEZGWZMB-UHFFFAOYSA-N	358.438	2.053	10	10	FECE	
CN(C[C@]1(O)CCCN(Cc2ccccc2)C1)C(=O)c1cccc(O)c1O	2286348380	JCASENBPXUORNP-OAQYLSRUSA-N	370.449	2.197	10	10	FECE	
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1O	2297219037	GGKLMKDQQJJQTQ-UHFFFAOYSA-N	352.346	2.457	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCC(c3ccnn3CCO)CC2)c1O	175619832	GDOFKXPAJOFFOC-UHFFFAOYSA-N	361.417	2.302	10	10	FECE	
NC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccc(N2CCSCC2)cc1	301068871	GMXFTFKHUNTADO-UHFFFAOYSA-N	373.438	2.254	10	10	FECE	
O=C(CCN1C(=O)CCc2cc(F)ccc21)NCCc1ccc(O)c(O)c1	122078593	ANAUFYRMLNWSTG-UHFFFAOYSA-N	372.396	2.265	10	10	FECE	
COc1ccc(N2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)cc1F	301906872	AHNHPWUBLULICZ-UHFFFAOYSA-N	372.360	2.112	10	10	FECE	
CC(C)CN1C(=O)/C(=C\N[C@H](C)c2ccc(F)c(F)c2)C(=O)NC1=S	72680457	HSTIHVDKEGNIQQ-VPMLRQHESA-N	367.421	2.399	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)c1ccccc1	194330493	JZGANNODUGDXSA-UHFFFAOYSA-N	352.434	2.394	10	10	FECE	
Cc1ccc(NC[C@H](O)[C@@H](O)[C@@H](O)CO)c(N=Nc2ccccc2)c1C	253960896	BVMBLTCSAVCYFW-JENIJYKNSA-N	359.426	2.206	10	10	FECE	
CCC(CC)S(=O)(=O)NC(=O)/C=C\c1ccc(N2CCOCC2)cc1	255625242	NSDRTQRCQVCQPH-YFHOEESVSA-N	366.483	2.171	10	10	FECE	
Cc1ccc(CN(C)S(=O)(=O)N2CCCC2)c(O)c1Br	2381127785	KMOGDMJQKFLTTD-UHFFFAOYSA-N	363.277	2.236	10	10	FECE	
O=C(COC(=O)c1ncsc1Br)c1ccc(O)c(O)c1	805710468	QFFADCXWCOFGBA-UHFFFAOYSA-N	358.169	2.357	10	10	FECE	
CO[C@@H](CS(=O)(=O)NCc1cc(Br)ccc1O)C(C)C	827611881	GXHHXBFMBVAQBI-ZDUSSCGKSA-N	366.277	2.245	10	10	FECE	
O=S(=O)(c1cscn1)N(Cc1ccccc1O)C[C@@H]1CCCO1	827183359	FQKDRPVPMFFMEC-ZDUSSCGKSA-N	354.453	2.219	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N3CCN(CCO)C[C@@H]3C)cc2)CC1	838375206	DLWHOCFLLWMIKO-SFHVURJKSA-N	374.529	2.131	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@H]3CCn4ccnc43)CC2)cc1	836515448	FMAHTSZUMYAFIF-KRWDZBQOSA-N	355.442	2.258	10	10	FECE	
O=C1N=C(N2CCOCC2)S/C1=C\c1c(Cl)nc2sccn12	747148450	YGMIFOZADNYSGF-CLFYSBASSA-N	354.844	2.352	10	10	FECE	
COCCn1c([C@@H]2C[C@H]3CC[C@H]2O3)nnc1N(C)Cc1ccccc1O	846322243	WFEFCQJFTSVMBB-BFYDXBDKSA-N	358.442	2.301	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C(=O)O)C2)cc1	849182160	BRFBZQMPRHRABQ-ZZGLYJMHSA-N	370.449	2.303	10	10	FECE	
O=S1(=O)CCN(c2ccc(CNCc3ccnn3C3CCC3)cc2)CC1	921738317	QNXJBTOZHCSBSP-UHFFFAOYSA-N	374.510	2.133	10	10	FECE	
COc1ccc(O)c(CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)c1	850762275	WQQXJRCKRRHYMN-SFHVURJKSA-N	357.410	2.383	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)NCCO[C@@H]2CC2(F)F)cc1	852527038	APPSJLSYDHRPQS-OAHLLOKOSA-N	357.401	2.197	10	10	FECE	
C[C@@H]1O[C@H](C)C[C@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	868896849	KBCQEUJLTTZNEC-ZRGWGRIASA-N	361.486	2.260	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)c3cc(C)ns3)C2)cc1	867496572	FQOMTXGUHZLPQY-GFCCVEGCSA-N	353.469	2.017	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3nc([C@H]4C[C@@H]4C)no3)CC2)cc1F	865952404	SMEVRIGNSBIORT-AAEUAGOBSA-N	360.389	2.303	10	10	FECE	
CCn1nc(C)cc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2	861760595	JUMDYSPWUJNZIR-UHFFFAOYSA-N	356.426	2.051	10	10	FECE	
CCC[C@H]1C(=O)NCCN1Cc1c(O)c(C(=O)OC)cc2ccccc12	765716322	FSSOPYVSXBDGAO-KRWDZBQOSA-N	356.422	2.433	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCN(C)c2ncccc2C1	872317391	QTTGGMKCTPEYMH-UHFFFAOYSA-N	367.497	2.058	10	10	FECE	
O=C(CCC(=O)Nc1c(F)cccc1F)NCCc1ccc(O)c(O)c1	1137464773	PAEJFLJKAISOLI-UHFFFAOYSA-N	364.348	2.454	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@H]1C(=O)NCCc1ccc(O)c(O)c1	2124195629	SZXWKWQTBDCXSS-ZENOOKHLSA-N	362.426	2.012	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCC(N=[N+]=[N-])CC2)C[C@@H]2OCC[C@@H]21	2124503474	LMFIWXZDCXJHOD-IHRRRGAJSA-N	365.434	2.455	10	10	FECE	
C[C@@H](NC(=O)C(=O)NC[C@@]12CCC[C@@H]1C2)c1ccc(N2CCOCC2)cc1	1340603155	MLKYRSIDBBLZAI-CEQIKUNHSA-N	371.481	2.007	10	10	FECE	
COc1ccc(CN[C@@H](C)CN(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1C	1283650642	ZAXDTXNSPZEAJX-HEHWYMARSA-N	358.482	2.364	10	10	FECE	
O=C(NCCCSc1nccs1)[C@H]1COCCN1CC(F)(F)F	1443489541	LOEXNVYQDIOMRQ-SNVBAGLBSA-N	369.434	2.005	10	10	FECE	
Cc1cc(=O)c(C(=O)NCc2cc(O)ccc2O)nn1-c1ccccc1F	1455355581	DBGNKNFOCBSDFY-UHFFFAOYSA-N	369.352	2.021	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)CC1(CS(C)(=O)=O)CC1	1525113630	MLDAAJMJFKLZQJ-UHFFFAOYSA-N	364.511	2.460	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3C3CC3)CC2)cc1	1535495344	MAVVETVIVKZTFO-LSDHHAIUSA-N	369.425	2.274	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCC3(OC)CCC3)CC2)c(OC)c1	1478819608	MTXHEYBMVPUFDT-UHFFFAOYSA-N	363.458	2.105	10	10	FECE	
Cn1cc([C@@H]2C[C@@H](NC(=O)c3ccc(N=NC(N)=O)cc3)CCO2)cn1	1569692047	CFIBLIDDBNVMKH-GJZGRUSLSA-N	356.386	2.233	10	10	FECE	
COC(=O)COc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1Cl	1632117822	WKMPFOAMRMFLSL-UHFFFAOYSA-N	365.769	2.484	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)N2CCN(C)C(C)(C)C2)N(C)C)cc1	1565452630	IGTPCRQKMWIOIT-SFHVURJKSA-N	361.534	2.091	10	10	FECE	
C[C@H](NC(=O)NCc1c(O)cccc1F)c1ccc(S(C)(=O)=O)cc1	1679696037	LIKKYAZJSBNKIK-NSHDSACASA-N	366.414	2.495	10	10	FECE	
CNC(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccccc1O	1767793879	KNXJMAABFKXYED-UHFFFAOYSA-N	369.425	2.325	10	10	FECE	
Cc1cccc(CNC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCCOC2)c1O	2139758008	OAQSIFQVOMGJOP-LJQANCHMSA-N	364.442	2.391	10	10	FECE	
C[C@@H](NCC1CCN(CCO)CC1)c1ccc(N2CCC(O)CC2)cc1	151791821	OMABNXCMBQGGBP-QGZVFWFLSA-N	361.530	2.003	10	10	FECE	
COc1cccc(O)c1CN[C@@H]1COCCN(C(=O)OC(C)(C)C)C1	1967732324	RYZIZCGDWKHGJD-ZDUSSCGKSA-N	352.431	2.126	10	10	FECE	
CS(=O)(=O)C[C@H]1CCCN(c2ccc(CN)cc2Br)C1	312863394	SFSSLLCAXMFPCM-LBPRGKRZSA-N	361.305	2.169	10	10	FECE	
CN(CC(=O)NCC(F)(F)F)c1ccc(CO)cc1Br	2172132200	VXHLAVIUWSTEBC-UHFFFAOYSA-N	355.154	2.056	10	10	FECE	
CC(C)(C)OC(=O)N1CCCCN1C[C@H](O)COc1ccc(N)cc1	2044604289	DRQFAPNGUYMJTI-HNNXBMFYSA-N	351.447	2.256	10	10	FECE	
COc1ccc(N(C)C[C@H]2COCCN2C(=O)OC(C)(C)C)c(N)c1	2044751064	WKTLNEDDNPFLDO-ZDUSSCGKSA-N	351.447	2.350	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]1(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)CCCO1	2060636046	STCNNMGKOKHVAW-MLGOLLRUSA-N	353.423	2.362	10	10	FECE	
CN(C(=O)CN1CC[C@](C)(NC(=O)OC(C)(C)C)C1)c1ccc(N)cc1	2106691012	RFKIDPFMEKEGRI-IBGZPJMESA-N	362.474	2.221	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CCCN(CC(=O)Nc2ccc(N)cc2)C1	2106759379	GLUUUJGTRIPDOY-CQSZACIVSA-N	362.474	2.444	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H]1C(F)F	2106732190	NKUVEXZLRMLQII-ZIAGYGMSSA-N	369.412	2.428	10	10	FECE	
CN(Cc1ccccc1)[C@@]1(CNC(=O)c2cccc(O)c2O)CCOC1	2098893060	JNVGKNOXNUVSSR-HXUWFJFHSA-N	356.422	2.119	10	10	FECE	
Cc1ccc(NC(=O)CN2C(=O)NC(=Cc3cc(C)n(C)c3C)C2=O)cc1	2294143534	JVSZDKSXTNPEED-UHFFFAOYSA-N	366.421	2.482	10	10	FECE	
CCOc1ccc(C=C2SC(=S)N([C@H](C(=O)O)[C@H](C)O)C2=O)cc1	2318683889	KNLLQGNCXQHKRS-ZANVPECISA-N	367.448	2.121	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1OC	2315988484	JDYVVOWNZDAQEE-CHWSQXEVSA-N	355.439	2.417	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H]3CC[C@H](OC)C3)CC2)cc1F	188007878	MTQWZYUTIIVKKU-ZFWWWQNUSA-N	351.422	2.233	10	10	FECE	
COCCc1cc(NC(=O)N2CCOc3cc(N(C)C)ccc32)n(C)n1	183241696	UBSCEUNJTPDUTR-UHFFFAOYSA-N	359.430	2.106	10	10	FECE	
CCOC(=O)c1csc(CCNCc2cc([N+](=O)[O-])ccc2O)n1	190339218	YACCFKGKZLZDFF-UHFFFAOYSA-N	351.384	2.266	10	10	FECE	
O=C(c1cccc(O)c1O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1	366150504	DRWKFOBDRQAOMC-OAHLLOKOSA-N	358.438	2.353	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CN(c2cc3c(cc2N)OCC(=O)N3)CC12CC2	2163082714	IDDKTRDGBHKTLH-HNNXBMFYSA-N	374.441	2.093	10	10	FECE	
C[C@@H](NC(=O)C(=O)N1CCC[C@@]2(CCCOC2)C1)c1ccc(N(C)C)cc1	807677759	SLHUYQKVMDGCQM-IIBYNOLFSA-N	373.497	2.349	10	10	FECE	
C[C@@H]1CN(CC(=O)N(C)c2ccc(N)cc2)CCN1Cc1ccccc1	396480078	KVVFWPBRHCZRED-QGZVFWFLSA-N	352.482	2.438	10	10	FECE	
CCN(Cc1cc(C(C)=O)cc(CN2CCOCC2)c1O)[C@@H]1CCOC1	812297295	YWZGXFBKTRYXNI-LJQANCHMSA-N	362.470	2.038	10	10	FECE	
C[C@H](CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@H]1CCCO1	822937736	LZLUPWNTUPYMKM-SZVBFZGTSA-N	373.497	2.210	10	10	FECE	
CN(C)C(=O)N(C)[C@@H]1CCN(Cc2cccc(Br)c2O)C1	827544833	LQGVPOCEAFJJAK-GFCCVEGCSA-N	356.264	2.342	10	10	FECE	
C[C@@H]1[C@@H](O)CCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	838193251	XNZSOBHMPAKTQT-WBMJQRKESA-N	369.412	2.422	10	10	FECE	
COC1(C[C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C(=O)O)CCC1	844294858	NLGCNBYULWXEGC-CQSZACIVSA-N	367.421	2.103	10	10	FECE	
COC(=O)/C(C)=C\CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	925034393	BTHKIUWAWHIKEH-MBSJSRAVSA-N	362.426	2.202	10	10	FECE	
CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NCc1c(O)cccc1F	928708989	UTIUUHIENKKEBI-LLVKDONJSA-N	356.394	2.077	10	10	FECE	
COc1ccc(N(CC(=O)O)CC(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)cc1	853003620	AZYHQLJSMPQKGZ-MSOLQXFVSA-N	372.396	2.398	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC2C[C@@H]3CC[C@H](C2)S3)c1	927397244	QYYGVCUNQYYWAZ-VGPLMAKISA-N	370.496	2.168	10	10	FECE	
CC[C@@H](C)N1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	854296107	BSLHGYINFVZCCK-IAGOWNOFSA-N	360.502	2.400	10	10	FECE	
C[C@@H](NC[C@@]1(CO)COCCN1Cc1ccccc1)c1ccc(F)cc1O	850555580	OWOHBSHWCAJSNA-IIBYNOLFSA-N	374.456	2.445	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)/C=C\c1ccc(O)c(O)c1	862063305	FBSARKNWZVMWPO-CANBAQTASA-N	360.410	2.235	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)CC(F)(F)F	1123687810	TXQINJIHDCUMEG-KOLCDFICSA-N	363.332	2.277	10	10	FECE	
O=C1C[C@@H](Cc2ccc(NC(=O)N3Cc4cccc(O)c4C3)cc2)C(=O)N1	1333010876	VBXNIWAMDZJTFI-CQSZACIVSA-N	365.389	2.145	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)c2cncs2)cc1	1340551627	RSSVHWOQBLNEOD-CYBMUJFWSA-N	360.483	2.483	10	10	FECE	
CCc1nc(O)c(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1C	1442233899	MYQVXKRUYORAHJ-UHFFFAOYSA-N	355.438	2.425	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)Nc3n[nH]cc3C(N)=O)c2C)cc1	1472371284	MJXXRKPVWKMUMI-UHFFFAOYSA-N	353.382	2.177	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](NCc3cccc(O)c3O)CO2)C1	2137110762	JQIAHPSIECIJSG-LIRRHRJNSA-N	364.442	2.356	10	10	FECE	
CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)c2cccc(O)c2O)c1	1635569392	PVDFIZPPPXECDK-NSHDSACASA-N	364.423	2.427	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1	1634905115	WHJCAMFVISCMET-GFCCVEGCSA-N	374.359	2.090	10	10	FECE	
O=C(CN1C(=O)CCOc2ccccc21)NCc1cccc(Cl)c1O	1640402157	MXOVALQVPKPDKE-UHFFFAOYSA-N	360.797	2.478	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1cc([N+](=O)[O-])ccc1SCCO	1643103601	BICNYTSAPHAUBB-UHFFFAOYSA-N	364.379	2.020	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@@H](C(N)=O)c2ccc(Cl)cc2)cc1	1648022898	NYZPLGZHKBBUJB-CYBMUJFWSA-N	359.773	2.459	10	10	FECE	
O=C(Cc1nc(C2CC2)n[nH]1)N(Cc1ccccc1O)C[C@@H]1CCCO1	1597089989	MINDSHKSTZAKEL-HNNXBMFYSA-N	356.426	2.138	10	10	FECE	
Nc1ccc(NC(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	1866024022	NCFPLGKUUSUQJL-UHFFFAOYSA-N	368.349	2.192	10	10	FECE	
Nc1ccc(CCC(=O)NC[C@@H]2COCCN2Cc2ccccc2)cc1	1880809852	IUMVTQYTOPAQSE-HXUWFJFHSA-N	353.466	2.219	10	10	FECE	
CN[C@@H](C)c1ccc(N(C)[C@H]2CCS(=O)(=O)C2)c(Br)c1	251230098	AUZVTGQYEQODCB-JQWIXIFHSA-N	361.305	2.353	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)C2C(=O)C(=O)C[C@H]1C[C@H](N)C1	2049787126	UJELEBZCZOZWIK-XFQXOYCESA-N	350.459	2.145	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)CCCOC1	2060618219	WRBVYZRSEDVUAE-MLGOLLRUSA-N	353.423	2.362	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)CCc3ccc(N)cc3)[C@H]2C1	2106227943	HIADYQJHGSCCTG-OSYLJGHBSA-N	359.470	2.431	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Nc2ccc(N)cc2)[C@@H]2COC[C@@H]12	2106698841	DQPAODNKJVMKNR-RRFJBIMHSA-N	362.430	2.025	10	10	FECE	
Cc1nn(C)cc1[C@H](C)NC(=O)C=Cc1ccc(N2CCOCC2)cc1	2297505721	VAIQYWMYDNREOA-HNNXBMFYSA-N	354.454	2.456	10	10	FECE	
NC(=O)c1ccc(N=NN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1	2330154788	KVNRUFITEVTZPB-UHFFFAOYSA-N	367.409	2.331	10	10	FECE	
CN[C@H](c1ccccc1O)[C@H](O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1	2344660474	QWKCGELPBJENMG-IAOVAPTHSA-N	366.458	2.040	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](NCc2ccc3c(c2)CCO3)(C(=O)O)C1	2346061760	ROMMZOBBYMWQIU-LJQANCHMSA-N	362.426	2.175	10	10	FECE	
COc1cccc(CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)c1O	73794016	PKERAGHZIQMAPS-KRWDZBQOSA-N	357.454	2.373	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cnn2c1CCCC2	126329463	ZAPKGFNFUWRZNA-UHFFFAOYSA-N	358.417	2.125	10	10	FECE	
O=C1CN(Cc2ccc(N3CCOCC3)cc2)CCN1c1cccs1	185672875	SADSETXZRXEVNB-UHFFFAOYSA-N	357.479	2.434	10	10	FECE	
CO[C@@H]([C@@H](N)Cc1ccc(O)c(O)c1)C1(NC(=O)OC(C)(C)C)CC1	1953053841	QXGISFABLXMXQX-WFASDCNBSA-N	352.431	2.040	10	10	FECE	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccn(C)c2=O)cc1	265083814	YCPFCEUKLPDDKI-SFHVURJKSA-N	369.465	2.273	10	10	FECE	
COc1cc(N2CCN(c3ccnc(C)n3)CC2)c([N+](=O)[O-])cc1OC	273442413	BVKMBTOJUXJMKB-UHFFFAOYSA-N	359.386	2.037	10	10	FECE	
C[C@H](CN(C)C(=O)c1ccn(-c2ccc(N)cc2)n1)NC(=O)OC(C)(C)C	2163008127	CTCUFICWVMNBJU-CYBMUJFWSA-N	373.457	2.440	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN1CC(F)(F)F	292322511	MMKDSYYREFKXIQ-INIZCTEOSA-N	371.403	2.166	10	10	FECE	
CN(C)c1ccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cn1	804218642	ZGZMKTKARNLYER-UHFFFAOYSA-N	360.801	2.475	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N[C@H]3CCc4nc[nH]c4C3)CC2)cc1	811951403	DZEAVTSKGNBRTL-HNNXBMFYSA-N	369.469	2.244	10	10	FECE	
COc1cc(CN2CCC[C@@H](CS(N)(=O)=O)C2)c(O)c(C(C)(C)C)c1	824776213	FQMHXIPYFFVMQL-CYBMUJFWSA-N	370.515	2.199	10	10	FECE	
CCc1nsc(N2CCCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)n1	588405657	GZIVFJGBAJJMGF-ALCCZGGFSA-N	374.466	2.264	10	10	FECE	
CCc1onc(C)c1CNC(=O)NCc1ccc(N2CCOCC2)cc1	914335956	VGBIOEJRDXOSCL-UHFFFAOYSA-N	358.442	2.381	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CCCC[C@@H]2[C@H]2C[C@@H](N)CCO2)c1O	844912627	UXNPSPJDJOOHAM-SQWLQELKSA-N	365.430	2.170	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cncc2c1CCCC2	850432642	CQTDQJKXDNKREJ-GFCCVEGCSA-N	369.421	2.058	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H](C)Cn2cncn2)cc1	858558232	LEKQUGRQCXLXAP-CQSZACIVSA-N	365.437	2.246	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CNC(=O)CC3CCCCC3)C2)cc1	855231603	WWKRMZASBQRVMA-KRWDZBQOSA-N	373.497	2.477	10	10	FECE	
Nc1ccc(CNC(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)cc1	868062783	VZFILQIJXPFAIP-UHFFFAOYSA-N	373.478	2.058	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)Cn2c(C)cc(C)nc2=O)cc1	1135946149	HKCVIIIFYIMTPN-UHFFFAOYSA-N	356.470	2.365	10	10	FECE	
COc1ccc(CNC[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C2CC2)cc1C	1323036266	RLXZLHPQJIBGLD-TYIKBYNUSA-N	370.493	2.411	10	10	FECE	
COc1ccc(O)c([C@H](C)N=c2nc(CNC(=O)OC(C)(C)C)[nH][nH]2)c1	2126785509	MGIYFJHSCCQTPX-JTQLQIEISA-N	363.418	2.139	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC1C[C@@H]2CC[C@H](C1)S2	1334070703	OCJHHRSARNGWQZ-ZNXRZULTSA-N	371.506	2.222	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCc3ccccc3[C@H]2C(N)=O)cc1	1444174341	UQJIOUGOINUQMS-HNNXBMFYSA-N	351.366	2.074	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1cn(-c2cccc(Cl)c2F)nn1	1558175165	GNMXCAQQXDRVHO-UHFFFAOYSA-N	362.748	2.401	10	10	FECE	
CCN(C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1)CC(F)(F)F	1635213480	DKZXAWLAXJLJQX-ZDUSSCGKSA-N	360.376	2.373	10	10	FECE	
COC1CCN(c2ccc(CN3CCC(N4CCNC4=O)CC3)cc2)CC1	1657023665	LFNYEFGLMPCWNJ-UHFFFAOYSA-N	372.513	2.291	10	10	FECE	
CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NCc1cc(O)ccc1O	1651222855	QRBCBEWYUKHTCV-SFHVURJKSA-N	371.437	2.238	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](C)c3ncccc3C)nc12	1656488728	HOGZVSVZHLOCQC-LBPRGKRZSA-N	355.398	2.166	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H]3COC(C)(C)C3)CC2)c(OC)c1	1687791465	WSDCQWKOXWLIQY-CQSZACIVSA-N	363.458	2.103	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C[C@@H](O)C1(C)C	1879106970	NBYWCUCMPWOETP-PSTGCABASA-N	367.450	2.342	10	10	FECE	
O=S1(=O)CCC[C@H]2CN(Cc3cc(Br)ccc3O)C[C@@H]21	2145073531	ORDIDCWHFUKULV-HZMBPMFUSA-N	360.273	2.164	10	10	FECE	
Nc1ccc(CC(=O)N[C@H]2CC[C@@H]2NC(=O)OCc2ccccc2)cc1	1977680350	PTGIWLSJRYZQDI-ROUUACIJSA-N	353.422	2.385	10	10	FECE	
CN1C(=O)[C@H](O)c2ccc(N3C[C@H]4C[C@H]3CN(Cc3ccccc3)C4)cc21	2160692403	ZYHLHEJZXCGNHD-DJPFJPOOSA-N	363.461	2.407	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NCc1ccc(F)c(F)c1O	700733674	WOBCVRFCBWNDCL-TXKWRHDYSA-N	370.396	2.441	10	10	FECE	
CC[C@H](NC1[C@H]2CS(=O)(=O)C[C@H]12)c1cc(Br)ccc1O	2174644320	QCHVAYPXWNOGKT-SRVKXCTJSA-N	360.273	2.238	10	10	FECE	
C[C@H](CNS(=O)(=O)Cc1ccc(N)cc1)CN(C)C(=O)OC(C)(C)C	2044251410	QEWQDYFRZQAUAA-CYBMUJFWSA-N	371.503	2.191	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@@H](C)CNS(=O)(=O)Cc1ccc(N)cc1	2044245837	OBZGMEKKSJMCFI-ZDUSSCGKSA-N	371.503	2.334	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2060615264	MOHBVYNKWOGTFB-WCQYABFASA-N	353.423	2.218	10	10	FECE	
COCC1(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)CN(C(=O)OC(C)(C)C)C1	2060619410	MRHSTWYOYUGSNE-GFCCVEGCSA-N	353.423	2.171	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)COc1ccc(N)cc1	2106233533	PIRCRZQWVYENPX-CJNGLKHVSA-N	363.458	2.409	10	10	FECE	
CN1CCc2cc([C@H](O)[C@@H]3[C@@H]4OCCN(C(=O)OC(C)(C)C)[C@@H]43)ccc21	2106789299	XMPSVVJWRUXQET-BDXSIMOUSA-N	360.454	2.347	10	10	FECE	
COc1ccc(N(CCO)CCCNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1	2266402039	ZCFZALFJUPUPIM-UHFFFAOYSA-N	369.418	2.317	10	10	FECE	
O=C(NN1C(=O)C(=Cc2cccc(O)c2)SC1=S)c1ccncc1	2293175932	RDUPKLFOXJQQJS-UHFFFAOYSA-N	357.416	2.333	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC[C@@H](N=[N+]=[N-])C2)C[C@@H]2OCC[C@@H]21	2310283762	SEEQSDPFCASNBA-VOAKCMCISA-N	351.407	2.065	10	10	FECE	
COc1ccc(N2CCC(NC(=O)c3cn4cccnc4n3)CC2)cc1	102382523	FEISCYFNUTWGCZ-UHFFFAOYSA-N	351.410	2.137	10	10	FECE	
CCOC1CCN(c2cc3c(cc2Br)[C@@H](N)C(=O)N3)CC1	92775364	NEZXEHMYSJVJAX-CQSZACIVSA-N	354.248	2.406	10	10	FECE	
C[C@H]1CO[C@H](C)CN1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1	246194408	OEKCGLOTPZFXAR-LSDHHAIUSA-N	368.499	2.491	10	10	FECE	
COc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)c(O)c1	373659355	JWXYHDSZJPUSNX-INIZCTEOSA-N	370.405	2.027	10	10	FECE	
CCc1nc(CNC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cs1	805194506	RGXIEIWBIKUDLZ-GFCCVEGCSA-N	360.483	2.265	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnn4c3C[C@H](C)CC4)CC2)cc1	843518280	XJIZSUVFYLNFMM-OAHLLOKOSA-N	354.454	2.436	10	10	FECE	
C[C@@H]1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c2ncnn21	849359912	VWSCLRFEXLSIQX-SKDRFNHKSA-N	361.789	2.107	10	10	FECE	
C[C@H](N)[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	841710374	SLJDSXWJCRAYJI-RYUDHWBXSA-N	374.407	2.077	10	10	FECE	
Nc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)cc1	841030330	FEAMFOBYRHJZMV-HNNXBMFYSA-N	353.378	2.300	10	10	FECE	
CN(C)c1ccc([C@H](N)CNC(=O)c2nscc2Br)cc1	846663781	OGWTZXBJYWBDEZ-GFCCVEGCSA-N	369.288	2.401	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)NCc3cncc(O)c3)C2)cc1	922950263	GSRONLVXYMPGTM-CQSZACIVSA-N	356.426	2.122	10	10	FECE	
C[C@@H](CN(C)CCCN(C)C)NC(=O)NCc1ccc(N2CC=CC2)cc1	853776830	WLQJAFOAPOQEJB-SFHVURJKSA-N	373.545	2.134	10	10	FECE	
COC(=O)[C@@H]1OCC[C@@H]1NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C	855448393	MSTUNQXJFLCYPK-ZWKOTPCHSA-N	372.421	2.163	10	10	FECE	
COCCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2O)cc1	867834323	MEZVTIIWWOFMKQ-ZDUSSCGKSA-N	351.424	2.457	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CNC[C@@H]2c3ccccc3C(=O)N2C)c1O	862517077	DMJYCRJRBFYCAA-OAHLLOKOSA-N	357.366	2.226	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC[C@]12CCCC[C@H]1C2	1119818294	WANSHBFVJISALG-LAUBAEHRSA-N	353.466	2.376	10	10	FECE	
Cc1cc(CCNC(=O)NCC(=O)NCC2CC2)c(C)n1-c1ccccc1	778766307	KHYYXZCEXLFYCH-UHFFFAOYSA-N	368.481	2.462	10	10	FECE	
O=C([C@@H]1CCCN1C(=O)Cc1ccccc1)N1Cc2cccc(O)c2C1	871200390	BNBSEQROWFWLNR-SFHVURJKSA-N	350.418	2.468	10	10	FECE	
C[C@H]1Oc2ccccc2N(CCC(=O)N2Cc3cccc(O)c3C2)C1=O	871198656	MGQXHKLCIFQYSD-CYBMUJFWSA-N	352.390	2.439	10	10	FECE	
O=C(NCc1ncn(Cc2cccc(F)c2)n1)NCc1ccccc1O	780362705	IUWBAGNRVOXYMY-UHFFFAOYSA-N	355.373	2.171	10	10	FECE	
Cc1ncccc1/C=C/C(=O)NCc1ccc(N2CCN(C)CC2)cc1	893607605	IAGMHZZJBGXQEF-JXMROGBWSA-N	350.466	2.471	10	10	FECE	
C[C@@H](NC(=O)N1CCN2CCC1CC2)c1ccc(N2CCOCC2)cc1	790689745	KIKZJSIGDMDVBQ-MRXNPFEDSA-N	358.486	2.074	10	10	FECE	
COc1ccc(CNC(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)c(O)c1	793015691	DUVVTWHUWCMUQB-QGZVFWFLSA-N	369.421	2.396	10	10	FECE	
CC(C)(C)OC(=O)NCCN1CCC(NCc2ccc(O)c(O)c2)CC1	1918405397	MRIQZJXGBSJGLD-UHFFFAOYSA-N	365.474	2.177	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2C[C@@](C)(CO)Oc3ccccc32)cc1	1307981153	DLVWRQJAYAGMNU-NRFANRHFSA-N	369.465	2.019	10	10	FECE	
CN1CCc2cc(CN[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)ccc21	2116261185	ITXPEVTUPYTVIS-FUHWJXTLSA-N	361.486	2.139	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3C[C@@H]4CCC[C@H](C3)C4O)C2)cc1	1325947938	KXLBJYHDSGGMHS-NFYOSOMSSA-N	373.497	2.324	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1CCC2(CCC2)O1	1338451921	KXGKQTIJNAFJPH-SFHVURJKSA-N	371.481	2.121	10	10	FECE	
C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)NCc3ccc(O)c(O)c3)c2N1	1294868323	CXAMMRYXICNPIW-LDYMZIIASA-N	352.341	2.235	10	10	FECE	
CC(=O)N[C@H](CC(=O)NCc1cc(O)ccc1O)c1c(F)cccc1F	1558174413	MJUCXEUIJFEZPR-OAHLLOKOSA-N	364.348	2.260	10	10	FECE	
O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)NCc1c(O)cccc1F	1564658943	XKJKZOMAQQTJBH-UHFFFAOYSA-N	359.317	2.315	10	10	FECE	
CC(C)(C)OC(=O)CC1(NC(=O)Cc2ccc(O)c(O)c2)CCOCC1	1638578808	IETBOSPQIGMXPR-UHFFFAOYSA-N	365.426	2.038	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@H](n2ccc(C(=O)NCCN=[N+]=[N-])n2)C1	2140410713	WHOFEMAZDQALMK-LBPRGKRZSA-N	363.422	2.495	10	10	FECE	
C[C@@H](N)c1ccc(N2CC[C@H](CS(C)(=O)=O)C2)c(Br)c1	2143668212	PPBJEEJMAVVTDU-MNOVXSKESA-N	361.305	2.340	10	10	FECE	
CCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1O	1963695031	OPURLSOMGGOXIZ-CQSZACIVSA-N	352.431	2.280	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NC(=O)c1ccn(-c2ccc(N)cc2)n1	2179364306	ZLLCPIBLAYETFE-WBMJQRKESA-N	371.441	2.098	10	10	FECE	
CN1CCc2cc([C@H](N)[C@]3(O)C[C@H]4C[C@H]3N(C(=O)OC(C)(C)C)C4)ccc21	2163143672	IXFPRWIMSMEBKZ-ZMRAYBQVSA-N	373.497	2.439	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CNCc2cc3c(cc2O)OCO3)C1	393365400	BOVJEQWKVZTTDR-GFCCVEGCSA-N	350.415	2.468	10	10	FECE	
CN1CCc2cc([C@@H](N)C3(O)CC4(CN(C(=O)OC(C)(C)C)C4)C3)ccc21	2183288558	CXRYBXSUAKHDDW-QGZVFWFLSA-N	373.497	2.441	10	10	FECE	
C[C@@H](CNC(=O)OC(C)(C)C)N(C)[C@@H](C)C(=O)Nc1ccc(N)cc1	2044609917	ASPVQWRWYPXVID-STQMWFEESA-N	350.463	2.441	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2060639790	LVCOSKOTLCRWCR-FRRDWIJNSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@]12CC[C@H]1CN(C(=O)COc1ccc(N)cc1)C2	2106696903	MKEJVVBMYHZGKU-DJJJIMSYSA-N	361.442	2.163	10	10	FECE	
CN1CCc2cc(CN[C@@H]3COCCN(C(=O)OC(C)(C)C)C3)ccc21	2095847263	IXYRLMWOHCBKQZ-KRWDZBQOSA-N	361.486	2.404	10	10	FECE	
C[C@@H](NC[C@H]1CN(C)CCN1C(=O)OC(C)(C)C)c1cc(O)ccc1O	2098264517	YTIIVRGZUAJCCL-KGLIPLIRSA-N	365.474	2.300	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ccc4c(c3)COCC4)C[C@H]2[C@H]1CO	2235546201	HGKNNRPZYPYLBI-QXAKKESOSA-N	374.481	2.423	10	10	FECE	
CN(c1ccc(N)cc1)S(=O)(=O)Cc1ncsc1Br	2226098021	YZFLLBWACDIJOL-UHFFFAOYSA-N	362.274	2.454	10	10	FECE	
C[C@H](CNCc1ccc(O)c(O)c1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1	2230090718	CNUBOPIKZBQNEY-BFUOFWGJSA-N	366.458	2.195	10	10	FECE	
CC(C)(C)OC(=O)N(CCCO)CCC(=O)NCc1ccccc1O	2319774581	MRTRZYDZABESEH-UHFFFAOYSA-N	352.431	2.018	10	10	FECE	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc(N)cc3)CC2)cc1	217313709	KDGTXHKUKUVRPZ-UHFFFAOYSA-N	374.466	2.116	10	10	FECE	
COC(=O)CCN1C(=O)/C(=C2/C(=O)Nc3ccc(C)cc32)SC1=S	40937855	OKWMBEDCMUZXMK-SEYXRHQNSA-N	362.432	2.082	10	10	FECE	
COc1ccc(N2CCC(NC(=O)Cc3ccccc3C(N)=O)CC2)cc1	192037681	IEQJVFYCAPGSPT-UHFFFAOYSA-N	367.449	2.122	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCO[C@@H](C(F)F)C1	194162348	JWYWJJUOIBCSQK-WUTVXBCWSA-N	352.381	2.029	10	10	FECE	
CN1CCN(c2ccc(CNC[C@@H]3CCC4(CCOCC4)[C@H]3O)cc2)CC1	801735214	NQYNMZSQXDWKOC-FPOVZHCZSA-N	373.541	2.096	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C	2131394275	NRFPLRODFDVGHM-CABCVRRESA-N	364.442	2.280	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@@H](C)c1cscn1	829678573	MZUQAODLTDYTTE-KBPBESRZSA-N	374.510	2.442	10	10	FECE	
C[C@@H](Cc1ccco1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	822936352	AIHLMBURZSGYTA-DOTOQJQBSA-N	369.465	2.476	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)=C[C@H]1O	2131475714	KAPFQSVDORYNHI-MRVWCRGKSA-N	365.434	2.120	10	10	FECE	
COC(=O)c1ccnc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	822507682	FVCFQYJDAAFEGL-CQSZACIVSA-N	370.409	2.277	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCCN(c2ccccc2)C1=O	588404822	UMWLBIXTXYEDAM-SLWQEBJJSA-N	352.390	2.423	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)C[C@@H](C)n3cccc3)nc12	735139707	KDGLFNWOJCGYHK-GFCCVEGCSA-N	372.381	2.108	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC[C@@]1(O)CCOC1	845451400	YJGBTMNEWLDIPW-HXUWFJFHSA-N	361.486	2.360	10	10	FECE	
CNC(=O)[C@@H](CNC(=O)Nc1ccc(N)cc1)Cc1ccc(OC)c(F)c1	843043205	KEKAEFLQKIFXKH-CYBMUJFWSA-N	374.416	2.143	10	10	FECE	
COc1cc(Br)cc([C@H](C)NCC(=O)NCC2CC2)c1O	848544342	QFRMUCPTILCBRP-VIFPVBQESA-N	357.248	2.340	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)CN(C)CCCN(C)C	853748760	IOWOYMSKDHLCBO-KRWDZBQOSA-N	363.550	2.132	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3cc(C(C)C)on3)C2)cc1	850536125	CPIHZUZSYVPYFY-ZDUSSCGKSA-N	372.425	2.140	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NC[C@@]2(OCCO)CCOC2)c1	855405405	IBTZFUQROISPOP-NRFANRHFSA-N	372.465	2.300	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCCCn3ccnc3C)C2)cc1	851978521	MZWQSCXGYSHLPU-INIZCTEOSA-N	357.458	2.168	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN3CCCC4(CC3)CC4)CC2)cc1	860072732	GDGQNQRNBAQHHJ-FQEVSTJZSA-N	373.541	2.444	10	10	FECE	
COc1cc(F)ccc1N1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1	768445297	GCPONDVJSDPYFI-SFHVURJKSA-N	374.412	2.288	10	10	FECE	
COC(=O)[C@@H]1CO[C@H](CCC(=O)NCc2ccc3c(c2)CCCN3C)C1	874251141	GJBRQHXBYVBFPM-DLBZAZTESA-N	360.454	2.044	10	10	FECE	
CCN(CC(=O)O)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	780599389	KNHCPGYJFIDTIF-LBPRGKRZSA-N	371.384	2.373	10	10	FECE	
COC[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C1CCOCC1	898583781	ZYTKPOCKGOULRK-GFCCVEGCSA-N	351.424	2.484	10	10	FECE	
CC(C)c1nn(C)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	797021722	SJLLIDVCOUJYFB-ZDUSSCGKSA-N	357.458	2.425	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCC2(N3CCCC3)CCOCC2)cc1	1136701854	NREUIBLQEFKTCO-UHFFFAOYSA-N	359.430	2.224	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCOCC1CC1	1152402364	XPMNVVLOGDHTIK-UHFFFAOYSA-N	355.818	2.364	10	10	FECE	
C[C@@H]1[C@H](C(=O)NCc2c(O)cccc2O)CCN1C(=O)OC(C)(C)C	1178912271	RJHUMQFCXIUVGK-VXGBXAGGSA-N	350.415	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@H](F)[C@@H](CO)C3)ccc(N)c2C1	2120625365	CYQPVTAMXGGPRA-DOMZBBRYSA-N	365.449	2.329	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCC(N=[N+]=[N-])CC2)OCC12CC2	2127543551	MNXKJFVUIBNBDK-CYBMUJFWSA-N	365.434	2.456	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@@]3(C2)CC3(F)F)cc1	1328912301	YLGWCRHQSPJNAT-KRWDZBQOSA-N	351.397	2.017	10	10	FECE	
Oc1ccccc1CN(Cc1ccco1)c1nnnn1C[C@@H]1CCCO1	1335350794	CLRSAEACMYUEJL-INIZCTEOSA-N	355.398	2.358	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1nc(Cl)cs1	1344084411	YRCRRWRANRNRCL-VIFPVBQESA-N	370.814	2.112	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@]2(C1)CC2(F)F	1349593141	WUIRDWZMYHKHKD-QGZVFWFLSA-N	352.381	2.389	10	10	FECE	
COc1cccc([C@H](C)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1O	1349574514	WINNDQQYNBWQKQ-FKIZINRSSA-N	369.421	2.306	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ncc(Br)cc1O	1447565297	SXWSEVZPLIVLFU-QMMMGPOBSA-N	367.199	2.322	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N2C[C@H](CO)OC[C@H]2C)CCCC1	1446085158	KHQPFOGNSHZNRO-GDBMZVCRSA-N	372.465	2.137	10	10	FECE	
COc1cccc(CNC(=O)Cn2cc(C=O)c(-c3ccccc3)n2)c1O	1465991374	CQYQERGFZXLDJJ-UHFFFAOYSA-N	365.389	2.393	10	10	FECE	
CC(C)COC(=O)N1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1	1546188227	RLBSNCYBRXWMQK-UHFFFAOYSA-N	361.402	2.399	10	10	FECE	
CCc1nc(C)ncc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1618643005	JGNXKGYFDIRFFN-IBGZPJMESA-N	355.486	2.446	10	10	FECE	
COCCOC(=O)Nc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1	1543687941	DSPOQLBQTRCMJK-UHFFFAOYSA-N	360.366	2.474	10	10	FECE	
COC(=O)C[C@@]1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCCOC1	1639042735	TWXGRFXEFVLKSK-KRWDZBQOSA-N	365.407	2.155	10	10	FECE	
C[C@](O)(CSc1cccc(F)c1)C(=O)NCc1cc(O)ccc1O	1644754210	RTNJWMKHKAMRAV-KRWDZBQOSA-N	351.399	2.396	10	10	FECE	
CN(C)C(=O)Cn1c(CC2CCCC2)nnc1N(C)Cc1ccccc1O	1747543335	KFBHANOWWIHLAA-UHFFFAOYSA-N	371.485	2.441	10	10	FECE	
CCc1noc([C@@H]2CC[C@@H](NC(=O)NCc3ccc(OC)cc3O)C2)n1	1684437194	QAPNWLCBWNVYBJ-DGCLKSJQSA-N	360.414	2.482	10	10	FECE	
CN(C)c1ccc(CNC(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)cc1	205722787	OABHGQGVQVYVAC-JYRVWZFOSA-N	373.478	2.454	10	10	FECE	
CC[C@H](NCCS(=O)(=O)N1CCSCC1)c1ccc(N(C)C)cc1	155775913	YQJGQVCHLKYXEB-KRWDZBQOSA-N	371.572	2.172	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@]1(C)CCN(C)C1=O	820885824	KXYZFNWTSKYWHP-INIZCTEOSA-N	369.259	2.372	10	10	FECE	
Cc1cc(=O)c(OCC(=O)Nc2ccccn2)cn1Cc1ccc(N)cc1	1857915218	LRAFWQZXDABHFF-UHFFFAOYSA-N	364.405	2.200	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H](C(=O)NCc2ccccc2O)O1	1879392566	MERGTAGGGMPOHZ-GOEBONIOSA-N	364.442	2.471	10	10	FECE	
COc1cccc(O)c1CNC[C@@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1	1967888936	LQWLOLNFUFZRJY-KGLIPLIRSA-N	366.458	2.420	10	10	FECE	
C[C@H](O)c1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)c(Br)c1	2148779855	ACCXTOHBBMVDSI-QWRGUYRKSA-N	362.289	2.373	10	10	FECE	
COC(=O)C=Cc1ccc(N2CC[C@@H](C)[S@@](=O)CC2)c([N+](=O)[O-])c1	2054096830	MXAPSEHZAQSUQD-YYUOZPCZSA-N	352.412	2.128	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2060613172	OMEKQWSPDDPEBG-JHJVBQTASA-N	353.423	2.312	10	10	FECE	
CN(C(=O)CN1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)c1ccc(N)cc1	2106648741	IAEZDLFJPAGGHR-INIZCTEOSA-N	362.474	2.173	10	10	FECE	
Oc1cccc2c1[C@@H](NCCn1cnc(I)c1)CC2	2228809529	BRKLESYXHNTSSG-NSHDSACASA-N	369.206	2.470	10	10	FECE	
O=C(NN1C(=O)C(=Cc2cccnc2)SC1=S)c1ccccc1O	2314926535	LGJGTDSESBTCTG-UHFFFAOYSA-N	357.416	2.333	10	10	FECE	
COc1cccc(O)c1CN[C@]12CO[C@H](C1)[C@H](NC(=O)OC(C)(C)C)C2	2334239519	QPVVUIZUIBLAME-NRXGSXMXSA-N	364.442	2.315	10	10	FECE	
C/C(NCCO)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	100095631	SKBACEYMBXBSQR-DHZHZOJOSA-N	370.356	2.417	10	10	FECE	
CN1CCN(C(=O)c2cccc(NC(=O)CCc3ccc(N)cc3)c2)CC1	66153520	FKQDHTOXCOPRKW-UHFFFAOYSA-N	366.465	2.228	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)c1	68467090	BRPZZVXVALBTFO-DOOHLRMFSA-N	364.467	2.414	10	10	FECE	
COc1ccc(N(CCO)CCCNC(=O)OC(C)(C)C)c(OC)c1	2255088630	DXLGXKUIBAVBGJ-UHFFFAOYSA-N	354.447	2.417	10	10	FECE	
COC[C@@H](O)CNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	283719661	BAPJPDKIJKOXFA-HIFRSBDPSA-N	369.893	2.383	10	10	FECE	
O=C(CNC(=O)c1cccs1)NCc1cc(Br)ccc1O	804738837	GPPDPQQGPPZTBO-UHFFFAOYSA-N	369.240	2.262	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CN(c3cc4c(cc3N)NC(=O)CC4)C[C@@H]2C1	2163166181	AVHISNJNMDZCJO-ZIAGYGMSSA-N	372.469	2.457	10	10	FECE	
NC1CCC(OCC(=O)NCc2ccc(N3CCSCC3)cc2)CC1	827320112	FFCJSZQCGRVXTB-UHFFFAOYSA-N	363.527	2.143	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCC([C@]3(C)COC(=O)N3)CC2)cc1	902910045	CEMILNCYLNNNPT-IBGZPJMESA-N	360.458	2.173	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N(C)Cc2ccc(N(C)C)cc2)c1	732053723	BBFOUCYRRPTKGE-JXMROGBWSA-N	352.438	2.179	10	10	FECE	
CC(C)[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)C1(CO)CC=CC1	830525990	HSAMJLHKBDBNGH-FQEVSTJZSA-N	359.514	2.312	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N[C@@H](CO)c3ccnn3C)c2C)cc1	838061272	RHFGTZQIPZBDOS-SFHVURJKSA-N	368.437	2.300	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N[C@H]3C[C@H]4CC[C@H]3C4)cc2)C1	738983558	GPFOPKOHOHQKOP-DWRORGKVSA-N	370.497	2.376	10	10	FECE	
COc1ccc(O[C@@H](C)C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)cc1	832293196	RDPRVHHJZJLRAP-LIRRHRJNSA-N	357.454	2.345	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CC[C@@H](OC)C1	831706169	BCGGBZRURHPNJF-SMDDNHRTSA-N	355.818	2.362	10	10	FECE	
Cc1cc(O)c(CN2CCC[C@H](CNC(=O)[C@H]3CCCN3)C2)c(Cl)c1	843058793	YJUVUDDPEKTRSV-RHSMWYFYSA-N	365.905	2.434	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)[C@]23C[C@H]4C[C@@H](C(=O)N2)[C@H]3C4)cc1	844304599	LLPSAKFJPYCCDD-NWUWZPLHSA-N	355.482	2.406	10	10	FECE	
COc1cc(Br)cc([C@@H](C)N[C@@H](C)C(=O)NCCF)c1O	848548914	MCZHKJIETGHDQJ-BDAKNGLRSA-N	363.227	2.288	10	10	FECE	
O=S1(=O)CC[C@@]2(CN(Cc3ccc(N4CCCCC4)cc3)CCO2)C1	843425515	BEGNDLKCDSWLBS-LJQANCHMSA-N	364.511	2.066	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCOC[C@@H]3C3CCC3)C2)cc1	854296231	HVJNTTMGEXDQHX-QFBILLFUSA-N	359.470	2.484	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCC3([C@@H](O)C(C)C)CC3)C2)cc1	852452569	BLVFIKLVFUJTBV-YJBOKZPZSA-N	361.486	2.370	10	10	FECE	
C[C@H](N[C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(N(C)C)cc1	858489226	WSILTNCTKFZBRC-HOCLYGCPSA-N	351.458	2.120	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Cn3ccc(C(F)F)n3)C2)cc1	862158835	LZFHLUPAPGZVEP-LBPRGKRZSA-N	350.369	2.224	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2C[C@H]3C[C@]3(CO)C2)C1	768241283	KTIMQXVPBOUSNA-OPAMFIHVSA-N	367.493	2.249	10	10	FECE	
Oc1cc2c(cc1CN1CCC(c3nnc4ccccn34)CC1)[C@H](O)CO2	768443177	ZWPUWKQRCMOETM-QGZVFWFLSA-N	366.421	2.240	10	10	FECE	
CCN1CC(=O)N(Cc2ccc(N3CCN(CC4CC4)CC3)cc2)C1=O	777673988	UFHILUXSDLMXQB-UHFFFAOYSA-N	356.470	2.003	10	10	FECE	
CCN(Cc1cn(C)nn1)Cc1cc(Br)cc(OC)c1O	781931484	VQKTWSGUPBSHHA-UHFFFAOYSA-N	355.236	2.314	10	10	FECE	
Cc1cc(C(=O)NCCc2nc(=O)o[nH]2)c(C)n1-c1cccc(Cl)c1	790080477	YPMKCIJJIYVJHV-UHFFFAOYSA-N	360.801	2.396	10	10	FECE	
CN(C)CCN(CC(=O)N1CCC[C@H](N=[N+]=[N-])CC1)C(=O)OC(C)(C)C	2124515358	ZOQHPGPXGRWTOX-AWEZNQCLSA-N	368.482	2.477	10	10	FECE	
CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NCc2cccc(Cl)c2O)C1	1180410199	LVSVTMRBQNMXLA-GFCCVEGCSA-N	354.790	2.148	10	10	FECE	
C[C@H]1OCC[C@]1(O)Cn1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C	1291325097	DXDYTUUSDTXGKQ-VLIAUNLRSA-N	374.485	2.458	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@H]([C@H]2CCCO2)C2(CO)CCC2)cc1	1452435885	HRAVEJZGDLNAMM-HUUCEWRRSA-N	360.414	2.289	10	10	FECE	
O=C(Nc1c(Cl)ccc2nonc12)[C@@H]1OCCO[C@@H]1C(F)(F)F	1459790004	UFCLROJMAYMJMX-ZJUUUORDSA-N	351.668	2.161	10	10	FECE	
C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(N2CCCNC2=O)cc1	1625261813	ANCXTTDYGCQPQW-CYBMUJFWSA-N	369.421	2.437	10	10	FECE	
COC(=O)c1ccn(CC(=O)N(Cc2ccco2)Cc2ccccc2O)n1	1629943601	HXSNPKORZPHOFP-UHFFFAOYSA-N	369.377	2.197	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)NCC(C)(C)CS(N)(=O)=O	1637705853	OXTIBYYVUNMJHP-UHFFFAOYSA-N	371.503	2.019	10	10	FECE	
C[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccccc1O	1648892148	NSKFRFWLONCJMH-NSHDSACASA-N	353.338	2.372	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2c(OC)ccnc2OC)cc1	1583621464	HTWYCMLTSMRVSF-UHFFFAOYSA-N	359.426	2.316	10	10	FECE	
O=C(NCc1cc(Cl)cc(Cl)c1O)NCc1nnc(O)n1C1CC1	1675468941	DFRBCUIIYXVBTE-UHFFFAOYSA-N	372.212	2.330	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@H]2CCCO2)n1CC1(O)CCC1	1696700333	ADCOIJCULVNCBG-MRXNPFEDSA-N	358.442	2.387	10	10	FECE	
C[C@@H](CCNC(=O)NCc1ccc(N2CCSCC2)cc1)[S@](C)=O	163630570	MWLORQYGOYMSDU-LFPIHBKWSA-N	369.556	2.196	10	10	FECE	
CSc1ccc(/C=C2/SC(=S)N([C@H](CO)C(=O)O)C2=O)cc1	1858595768	HVTZMNHJBRXRJD-VUUNSECVSA-N	355.462	2.055	10	10	FECE	
CC(C)NCc1ccc(N(C)C2CS(=O)(=O)C2)cc1Br	2152231641	WKXHKVQUUVQPQN-UHFFFAOYSA-N	361.305	2.180	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1	934705160	SFKADLDGGHYKGD-CABCVRRESA-N	364.442	2.280	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](NS(=O)(=O)Cc2ccc(N)cc2)C1	2044251967	XKGOYEQUZHCHOS-CABCVRRESA-N	369.487	2.134	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N(C)[C@H](C)c1ccccc1O	2060430270	MYHKAXYRCNOUIH-ZOWXZIJZSA-N	352.431	2.186	10	10	FECE	
C[C@@H]1COC[C@@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])N1C(=O)OC(C)(C)C	2060618548	AKSVWDDBPABUFE-AGIUHOORSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC[C@@H](CN=[N+]=[N-])C2)COC1	2060639795	LWVJMQRILXZGHC-LBPRGKRZSA-N	353.423	2.219	10	10	FECE	
CC(C)(C)OC(=O)NCc1ncc(NC(=O)COc2ccc(N)cc2)cn1	2199649837	YWZSBFLTJFJTMX-UHFFFAOYSA-N	373.413	2.101	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21	2106764578	JEZAPJPACZJXFK-UHOFOFEASA-N	360.458	2.289	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@@]2(C(=O)NCc2ccccc2O)C1	2278929696	JCIRXDSPKIWTOH-HNAYVOBHSA-N	362.426	2.034	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@@H](NCc3ccc(O)c(O)c3)CO2)C1	2337257730	IXZVMGDMFNOCDH-CQSZACIVSA-N	364.442	2.356	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1C(=O)N1CCc2cc(O)c(O)cc2C1	2341196822	ODHHKSFJHQDBNR-OCCSQVGLSA-N	362.426	2.143	10	10	FECE	
COc1cccc(C(=O)NC2=N[C@@H](c3ccc(N(C)C)cc3)CC(=O)N2)c1	6785135	ZBEUKKCPBCSEKX-QGZVFWFLSA-N	366.421	2.108	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@@](C)(O)C(C)(C)N	1952209058	PYJPROXFDNDQDG-RDTXWAMCSA-N	354.447	2.022	10	10	FECE	
COc1cc(N/C=C2/C(=O)NC(=O)N(CCCC(C)C)C2=O)ccc1O	100299259	PQJMBRKEFQLOKA-RAXLEYEMSA-N	361.398	2.211	10	10	FECE	
CC[C@@H](Nc1cnn(CC(=O)NCCOC)c1)c1ccc(N(C)C)cc1	180103970	UZVFQDNLKKTVJR-GOSISDBHSA-N	359.474	2.275	10	10	FECE	
O=S(=O)(Nc1cccc(-c2ncn[nH]2)c1)c1cccc2nsnc12	74049793	MCECHXBKBMZXEY-UHFFFAOYSA-N	358.408	2.277	10	10	FECE	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H](C(C)C)N1CCOCC1	41870860	ZDKFVHGGHZWDPM-QGZVFWFLSA-N	370.453	2.337	10	10	FECE	
CN(C)CC1CCC(NC(=O)NCc2ccc(N3CCOCC3)cc2)CC1	138254830	OROLXHXQZULLFG-UHFFFAOYSA-N	374.529	2.443	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(C=O)cc3)cc2)CC1	190232420	BTAVPMWOKIAFMP-UHFFFAOYSA-N	365.433	2.098	10	10	FECE	
C[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCN1C	283028042	KJIPPLNADHJHAH-LPHOPBHVSA-N	359.514	2.242	10	10	FECE	
C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C1(S(C)(=O)=O)CC1	804966503	AZLDISUZSRRUIH-CQSZACIVSA-N	365.499	2.052	10	10	FECE	
O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1COc2ccc(F)cc2C1	819170085	UOXKTNQZHSWELW-HNNXBMFYSA-N	356.353	2.299	10	10	FECE	
O=S(=O)(c1ccc(Cl)c2nonc12)N1CCOc2ccccc21	814378993	ZGLONHBQFOEHAR-UHFFFAOYSA-N	351.771	2.464	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H]1CCN2CCO[C@H]1C2	824494600	HHXSGRBOMRKLAM-QUCCMNQESA-N	374.485	2.490	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C[C@H]3CCOC[C@H]3OC)CC2)cc1	823004784	XURQDCOWVIPUQF-DNVCBOLYSA-N	362.470	2.222	10	10	FECE	
CCCn1cc([C@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)nn1	902759451	XWEGWFFSTRFGOE-DOTOQJQBSA-N	370.501	2.241	10	10	FECE	
Cc1cc(C(=O)COC(=O)C2(C(N)=O)CC2)c(C)n1-c1ccc(F)cc1	731728350	QCZIAELBTVHEJH-UHFFFAOYSA-N	358.369	2.225	10	10	FECE	
CN(C)c1ccc(CNC(=O)Nc2cccc(O[C@H]3CC(=O)N3)c2)cc1	840931467	WOGIBXWTEOLDDW-SFHVURJKSA-N	354.410	2.299	10	10	FECE	
CCON(C)C(=O)CNC(=O)N(C)Cc1ccc(N(CC)CC)cc1	845568872	NJFFUWSPJTUDNB-UHFFFAOYSA-N	350.463	2.084	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3CC[C@@]4(CCCNC4)C3)CC2)cc1	841779737	XZXAOSLOTIYCMM-OAQYLSRUSA-N	372.513	2.449	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)c2c[nH]nc2[C@@H]2CCNC2)cc1F	852805452	ZOTWHQSHYKHPPH-CQSZACIVSA-N	359.449	2.402	10	10	FECE	
Cc1nn(C2CCOCC2)c(C)c1C(=O)OCC(=O)c1ccc(O)c(O)c1	850334655	QOTYQCZXDFAEDY-UHFFFAOYSA-N	374.393	2.302	10	10	FECE	
C[C@H](NC(=O)N1C[C@@H]2COC[C@@]2(C)C1)c1ccc(N2CCOCC2)cc1	852012345	JBZJTFIBFWBIKI-XAUMDUMWSA-N	359.470	2.262	10	10	FECE	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CO[C@@H](C2CC2)C1	863532770	SBWSHTCYTARLRI-DZGCQCFKSA-N	350.802	2.377	10	10	FECE	
C[C@@H](NC[C@]12COCCN1C(=O)OC2)c1ccc(Br)cc1O	866521070	KQVMLQSPOXOTEL-MEBBXXQBSA-N	371.231	2.027	10	10	FECE	
CC(=O)C(=O)COC(=O)c1ccc(OC(F)F)c(Br)c1	884693808	POYFUORTFICLAM-UHFFFAOYSA-N	351.099	2.365	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCc3cccnc3F)CC2)cc1F	793200085	ZXIXILXRRNGKEK-UHFFFAOYSA-N	362.380	2.400	10	10	FECE	
CN(C(=O)/C=C\c1ccc(O)c(O)c1)C1CCN(c2cnccn2)CC1	790213155	UOAPSWUKSRXCPQ-HYXAFXHYSA-N	354.410	2.028	10	10	FECE	
CNC(=O)N1CCN(Cc2cc(Cl)cc(Br)c2O)CC1	722187411	AOWBIHBXSGUZER-UHFFFAOYSA-N	362.655	2.265	10	10	FECE	
COc1ccc(CNCCOCCCNC(=O)OC(C)(C)C)c(O)c1	698776276	FJYVFVMJTVNYFV-UHFFFAOYSA-N	354.447	2.422	10	10	FECE	
COc1ccc(O)c(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2CO)c1	2116268514	VLJJJXPPBQVKSZ-CZUORRHYSA-N	366.458	2.108	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2ccccc2O)C[C@@H]2OCC[C@@H]21	934936646	WAYXXQPIKVVGGF-DZKIICNBSA-N	362.426	2.175	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(N)c([N+](=O)[O-])c1	1162539835	MYSUAMTXRZATIW-UHFFFAOYSA-N	373.365	2.088	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)N2CCC[C@H](N=[N+]=[N-])C2)C1	2124540768	LHRZKHYEIZSRQB-SUMWQHHRSA-N	367.450	2.440	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2CCOC[C@@H]2C)cc1	1323319277	LPFGKMQSNOJUBP-MAUKXSAKSA-N	361.486	2.032	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H]2CC[C@H]3C[C@H]2CO3)cc1	1262228122	VONCTSMLAWTPSB-AOIWGVFYSA-N	373.497	2.080	10	10	FECE	
C[C@@H](NC(=O)C(=O)NCCCSc1nccs1)c1cncs1	1262252681	XVEXTXYTVQIJRJ-SECBINFHSA-N	356.498	2.075	10	10	FECE	
O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cccc(F)c1O	1355936193	LCTZKLAPKLJNQX-UHFFFAOYSA-N	364.398	2.018	10	10	FECE	
C[C@@H]1CC[C@@H]1NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136261866	OVJRSEVEMQURQC-XBFCOCLRSA-N	364.442	2.448	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](CO)CC1OCCO1	1471652336	VSGLIROSBZBBIC-CYBMUJFWSA-N	350.440	2.009	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCO[C@H](c3nccn3C)C2)c1	1470477969	BWLJTDZEQLMQDF-AHIWAGSCSA-N	374.441	2.415	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCCN43)CC2)c(OC)c1	1634886382	IFLLNUYCQGVTSQ-LPHOPBHVSA-N	373.497	2.369	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC(N[C@H]2CCOC2)C1	1639364585	CKGCYKUWRIQYJP-KRWDZBQOSA-N	367.449	2.110	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)c3ccnc(CO)c3)cc2F)C[C@H](C)O1	1630554896	HZNGGYYKUOAKKV-KBPBESRZSA-N	373.428	2.257	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC[C@@]2(CO)CCc3ccccc32)cc1	1631914596	KOSQEZCCMZLHKD-LJQANCHMSA-N	352.394	2.455	10	10	FECE	
COC(=O)c1cc(C2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)no1	1644224724	YCDYCDRXJXKZBT-UHFFFAOYSA-N	360.366	2.201	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)NC[C@@H]2CCCC[C@H]2O)N(C)C)cc1	1676653820	YINNOMDPSHBXGM-YTQUADARSA-N	362.518	2.206	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3CCS[C@H]3C)CC2)c(OC)c1	1682466450	MXKNRSKGACRNBN-DZGCQCFKSA-N	365.499	2.429	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]2COC[C@@H](C1)N2Cc1cc(N)ccc1O	2139775932	RQPBEJOAGONTOH-JKSUJKDBSA-N	363.458	2.185	10	10	FECE	
CCN1CCc2cc([C@H](N)[C@]3(O)CN(C(=O)OC(C)(C)C)[C@H]3C)ccc21	1887683342	IHXVGQPVDBCMIS-ROOHIHILSA-N	361.486	2.439	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)N1C2CCCC1CCC2	1322141941	DZWVYLFBTAJGOP-UHFFFAOYSA-N	371.481	2.073	10	10	FECE	
NC(=O)CCN(Cc1ccccc1)c1cc2c(cc1Cl)[C@@H](N)C(=O)N2	2034756286	RCMNIISFYUVODE-QGZVFWFLSA-N	358.829	2.174	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NCc2ccc(O)c(O)c2)CCO1	2036666044	GFGRWNLMMLZJMG-KGLIPLIRSA-N	352.431	2.260	10	10	FECE	
C[C@@H](O)CN(CCNCc1ccc2c(c1)CCN2C)C(=O)OC(C)(C)C	394223923	UMULKTDAPRZUJU-OAHLLOKOSA-N	363.502	2.386	10	10	FECE	
N[C@@H](Cc1ccc(O)c(O)c1)c1nc(CCOCc2ccccc2)no1	395563617	NNRWGCGJELOFRP-HNNXBMFYSA-N	355.394	2.483	10	10	FECE	
CCN(Cc1ccccc1)C(=O)Cn1cc(COc2ccc(N)cc2)nn1	880975108	XISZMXHVOKWNMH-UHFFFAOYSA-N	365.437	2.488	10	10	FECE	
CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2060638811	BEHBZEJRZUNNPV-NEPJUHHUSA-N	355.439	2.342	10	10	FECE	
CN(c1ccc(N)cc1)S(=O)(=O)c1ccc(Br)c(N)c1	2191764108	QMQQBCACTZEVJF-UHFFFAOYSA-N	356.245	2.439	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CC(N=[N+]=[N-])C2)OC(C)(C)C1	2073952155	ZLBWRVSOGRUYTD-CMPLNLGQSA-N	353.423	2.358	10	10	FECE	
CN[C@H](CN1CC(CNC(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	2113003902	TWUNDHCPVLTPOD-GOSISDBHSA-N	362.518	2.470	10	10	FECE	
COC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])C1	2218742634	RKDASPJGLZVTKS-YZUGKSJVSA-N	353.423	2.406	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-]	2225794494	GIEFWKPNRAWPGE-RWMBFGLXSA-N	363.422	2.193	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@H](Cc1ncns1)NC(=O)OC(C)(C)C	2315987963	CEPOHUKELIZLMU-JTQLQIEISA-N	369.451	2.133	10	10	FECE	
CCOC(=O)CNC(=O)NCc1cc(C)n(-c2ccccc2OC)c1C	9228898	AXDCKMQGRUVMNY-UHFFFAOYSA-N	359.426	2.465	10	10	FECE	
CN(C)c1ccc(CNC(=O)/C=C/c2ccc(OCC(N)=O)cc2)cc1F	58973931	AHZRRMGZPDFVQA-UXBLZVDNSA-N	371.412	2.085	10	10	FECE	
C[C@@H](O)CCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	114828314	LCZCULKDIYZSJA-GFCCVEGCSA-N	357.401	2.327	10	10	FECE	
CCCN[C@@H]1C(=O)Nc2cc(N3CC[C@@H](O)C3)c(Br)cc21	221246581	HJDFGWQHIRCYAV-OTYXRUKQSA-N	354.248	2.013	10	10	FECE	
Cc1cc(O)ccc1C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1	134157689	XKJMWRFRUNEKMP-UHFFFAOYSA-N	360.435	2.188	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](COC)c3ccccc3)nc12	271844362	VFKMPMCSIWJJDE-MRXNPFEDSA-N	370.409	2.089	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCCCc1c(C)noc1C	806485490	UAYYUHWXLHFXRH-UHFFFAOYSA-N	373.453	2.485	10	10	FECE	
O=C(CCCn1ccccc1=O)NCc1cc(Br)ccc1O	804735724	DOIZVQIJEKDTOU-UHFFFAOYSA-N	365.227	2.413	10	10	FECE	
CCN(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCOC1	813042337	JBSLQSPVOFGEGG-OAHLLOKOSA-N	365.449	2.107	10	10	FECE	
COC(=O)C1CC2(C1)CN(Cc1cccc(Cl)c1O)C[C@@H]2C(=O)O	903694913	JMDOAYIBOPDURR-VMBJYNEYSA-N	353.802	2.131	10	10	FECE	
C[C@H](C(=O)NC1CC1)N1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1	835026358	VPRNQUXJIMUZKQ-LAQIPUCWSA-N	356.514	2.051	10	10	FECE	
C[C@H]1C[C@H](S(=O)(=O)NCc2cccc(Br)c2O)CCO1	831286446	BBAUNERCVDEMCI-GXSJLCMTSA-N	364.261	2.142	10	10	FECE	
COc1cc(O)c(CN2CCCC[C@@H]2[C@@H]2C[C@@H](N)CCO2)cc1OC	844911567	PAWCCOQVKJTRJY-UXLLHSPISA-N	350.459	2.270	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NC[C@@H](C)S(C)(=O)=O)c1O	848535216	BMCDMGPMYQQERV-RKDXNWHRSA-N	366.277	2.247	10	10	FECE	
O=C(CN1CCN(Cc2ccccc2)CC1)NCc1cc(Cl)ccc1O	846473743	WEHMNARNGALTNF-UHFFFAOYSA-N	373.884	2.480	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@H](C4CC4)N3)cc2F)CC1	846673767	FCFIHMQDHMPCHZ-MOPGFXCFSA-N	374.504	2.114	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CCCn3ccccc3=O)C2)cc1	855231806	OHLROEPVMXBTTA-INIZCTEOSA-N	355.438	2.032	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C[C@@H]3CCOC3)C3CC3)C2)cc1	854301522	QBCCBWBAJHFVAH-HOTGVXAUSA-N	359.470	2.484	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H](N)c3ccc(F)cc3F)C2)cc1	852900475	MQDHXBVCOLONFY-ACJLOTCBSA-N	361.392	2.368	10	10	FECE	
Cc1cc(CC(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)c(C)n1-c1ccccc1	853933941	LTSMQKQYCBTBMU-GOSISDBHSA-N	371.437	2.399	10	10	FECE	
CC(C)n1ncc2cc(/C=C\C(=O)N3CCOc4ccncc43)c(=O)[nH]c21	750139054	VQTOYXADQGVZAO-ARJAWSKDSA-N	365.393	2.139	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)OCc3ccncc3)C2)cc1	869229640	ZWFJBFDWZNDSCM-WBVHZDCISA-N	355.438	2.390	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C(C)(C)C)CC3)C2)cc1	1118584157	ROJCAYNBPPPAMW-INIZCTEOSA-N	360.502	2.400	10	10	FECE	
CN(C)CCN(C)CCCN(C)C(=O)c1cc2cc(O)c(O)cc2s1	897781758	GMXQKJVUUIAUKS-UHFFFAOYSA-N	365.499	2.268	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNCc2cc(Cl)ccc2O)C1	702817520	GIMCJNBNJQIENN-IUODEOHRSA-N	356.850	2.363	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCC=C(Br)C2)cc1	799327843	DVIVUKAEZWXPDZ-UHFFFAOYSA-N	352.276	2.353	10	10	FECE	
NC(=O)N1CCC(NCc2cc(Cl)cc(Br)c2O)CC1	708196763	JKQLUNASADNQLN-UHFFFAOYSA-N	362.655	2.441	10	10	FECE	
CC1(C)CC(=O)c2cc(C(=O)NCc3c(O)cccc3O)c(O)nc2C1	1304053457	LMFFTKOSPCRNEC-UHFFFAOYSA-N	356.378	2.284	10	10	FECE	
O=C(NCc1ccc(-c2nncnn2)cc1)NCc1cc(Cl)ccc1O	1312953483	KAVDIPHDAGJHQO-UHFFFAOYSA-N	370.800	2.292	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]12CC[C@@](C(=O)N3CC[C@@H](N=[N+]=[N-])C3)(CO1)C2	2124541137	OYIQUWPTMHXQDK-DQYPLSBCSA-N	365.434	2.362	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)c3cc(C(=O)OC)ccn3)CC2)cc1	1328695413	WMHJSVSYLKMGTI-UHFFFAOYSA-N	369.421	2.229	10	10	FECE	
C[C@]1(c2cccc(CN[C@H]3CCc4cccc(O)c43)c2)NC(=O)NC1=O	1324600375	BMEXNBSPOAMOHL-MGPUTAFESA-N	351.406	2.224	10	10	FECE	
CCOc1ccc(N2CCN(S(=O)(=O)c3ccc(C)o3)CC2)cc1	1324859450	LMBWUNJLTNQKMU-UHFFFAOYSA-N	350.440	2.498	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN3C[C@H]4CCCC[C@H]43)CC2)cc1	1195833643	GJAQDZZYGSFBFN-YFVAEKQCSA-N	359.514	2.053	10	10	FECE	
O=C(NC[C@@H](CO)CC1CCOCC1)c1cc2cc(O)c(O)cc2s1	1331664509	GMELRIHSFCFGJD-LBPRGKRZSA-N	365.451	2.468	10	10	FECE	
CO[C@H]1CCN(c2nnc(-c3sccc3O)n2Cc2cc(C)on2)C1	1352089961	GYFITYIJINQCNX-LBPRGKRZSA-N	361.427	2.282	10	10	FECE	
COC(=O)c1ccc2c(c1)CCN(C(=O)/C=C\c1ccc(O)c(O)c1)C2	1455281536	CNAGLHUADBSRAK-CLTKARDFSA-N	353.374	2.483	10	10	FECE	
C[C@@H]1CCN(C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1	2136262982	YVDOSKXJFGJUIF-OCCSQVGLSA-N	364.442	2.402	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCOC[C@@H]3CC3CC3)C2)cc1	1478957841	SSWYOHGSRYNBJK-AEFFLSMTSA-N	359.470	2.484	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCCc3ccnc(OC)c3)C2)cc1	1470772784	MTNAVSGRBQKQKB-MRXNPFEDSA-N	370.453	2.219	10	10	FECE	
Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccc2cccnc2c1O	1557123597	ROWVYHKILDCZSI-UHFFFAOYSA-N	355.354	2.060	10	10	FECE	
COCCNc1nc(CC(=O)N(C)Cc2ccc(N(C)C)cc2)cs1	1623387271	WCSMKKUOUVERSX-UHFFFAOYSA-N	362.499	2.469	10	10	FECE	
CNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	1634434576	DVRZKDVVJHMSKE-BEFAXECRSA-N	368.481	2.470	10	10	FECE	
CC(C)S(=O)(=O)c1ccc(CC(=O)NCc2c(O)cccc2O)cc1	1652626187	RHTRXTNZKHFREW-UHFFFAOYSA-N	363.435	2.139	10	10	FECE	
COC(=O)c1cc(OCC(=O)NCc2ccc(F)cc2)ccc1N(C)C	1652164891	FAMWQICKPMPZSS-UHFFFAOYSA-N	360.385	2.374	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cccc(F)c3N)cc2)C1	1597004765	WEWUJCHXLZKMTL-AWEZNQCLSA-N	370.428	2.040	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc(=O)n(CC(C)C)c3)CC2)cc1	1861867480	ILZDJOVXOBWPHH-UHFFFAOYSA-N	369.465	2.475	10	10	FECE	
COc1ccc(C2=NN(CCO)C(=O)/C2=C\c2ccc(N(C)C)cc2)cc1	18193132	JCSIUMMVPINDTH-RGEXLXHISA-N	365.433	2.383	10	10	FECE	
C[C@H](NC(=O)[C@@H]1CO[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1O	828539751	URORJMGCRJXPMR-MELADBBJSA-N	364.442	2.499	10	10	FECE	
CN1CCc2cc(CNC[C@@H]3COCCN3C(=O)OC(C)(C)C)ccc21	311296980	FAZUWPKFBYKKTK-QGZVFWFLSA-N	361.486	2.404	10	10	FECE	
Nc1ccc(NC(=O)CCN2CC3(C2)CN(Cc2ccccc2)C3)cc1	706198289	LEUORVSMUJIBGS-UHFFFAOYSA-N	350.466	2.415	10	10	FECE	
C[C@H](CCNC(=O)c1ccn(-c2ccc(N)cc2)n1)NC(=O)OC(C)(C)C	2162521213	KNJZFQKIWKPQGF-CYBMUJFWSA-N	373.457	2.488	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@H](CN=[N+]=[N-])C1)[C@H]1CCOC1	2060621954	UBRGOVUGZGVREM-AVGNSLFASA-N	353.423	2.075	10	10	FECE	
CN(Cc1nc(=NCc2c(O)cccc2F)[nH][nH]1)C(=O)OC(C)(C)C	2065558043	MIPVOJZOYKFOKF-UHFFFAOYSA-N	351.382	2.050	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-]	2218735783	RQMVEUGZWBYTMG-RVMXOQNASA-N	353.423	2.264	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-])[C@@H]1CCOC1	2218739331	FNGGLGQJNGSPAE-NDBYEHHHSA-N	353.423	2.264	10	10	FECE	
COc1ccc(N2C[C@@H](O)C[C@H]2CNC(=O)OC(C)(C)C)cc1OC	2219641901	YENOXOYEVNQEHS-KBPBESRZSA-N	352.431	2.168	10	10	FECE	
C[C@@H](NCCn1cnc(I)c1)c1ccc(O)cc1O	2228829838	HQBVVLGBOJLYFC-SECBINFHSA-N	373.194	2.250	10	10	FECE	
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)c1cccc(O)c1O)C2)OCc1ccccc1	2296839201	QNAZTOPEWRBGSV-JLJPHGGASA-N	368.389	2.237	10	10	FECE	
COC(=O)[C@]1(C)CCCN1C(=O)C=Cc1ccc(N2CCOCC2)cc1	2310218285	WFFFZFUKDXPNHP-FQEVSTJZSA-N	358.438	2.091	10	10	FECE	
C[C@H]1N(C(=O)OC(C)(C)C)C[C@]1(C(=O)O)N(C)Cc1ccccc1O	2323714749	MTBHCBUSJJLRIU-XIKOKIGWSA-N	350.415	2.287	10	10	FECE	
CN[C@@H](c1ccc(N(C)C)cc1)c1cc(I)nn1C	2335905174	NJPKUXJWGJIOSC-AWEZNQCLSA-N	370.238	2.400	10	10	FECE	
CCOCCS(=O)(=O)NC(=O)c1cc(C)n(-c2ccccc2)c1C	111982110	KUUXSSBLYFZDHR-UHFFFAOYSA-N	350.440	2.190	10	10	FECE	
C[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H](C)N1C(=O)OC(C)(C)C	1148587267	GGBVCONSMRPLQF-QWRGUYRKSA-N	366.414	2.273	10	10	FECE	
CN(C)CCNC(=O)C1CCN(Cc2c(O)ccc3ccccc23)CC1	92615619	GVPZTRSMTSZZKB-UHFFFAOYSA-N	355.482	2.435	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1	248332088	FFESYKUHQKGKKW-ZJOUEHCJSA-N	370.541	2.175	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CCN(c3cc4c(cc3N)OCC(=O)N4)C2)C1	2163085891	UJJRMBZPXLISFU-UHFFFAOYSA-N	374.441	2.047	10	10	FECE	
CCOC(=O)CN1C(=O)/C(=C/c2cc(C(=O)OC)n(C)c2)c2ccccc21	811693373	MBYFFQMNGGHXIP-OQLLNIDSSA-N	368.389	2.262	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cnc(C2CC2)nc1	819698387	LVPLRSXAEWNMMP-UHFFFAOYSA-N	355.394	2.265	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@@H](C(=O)N1CCOc3cc(N(C)C)ccc31)C2	819335420	WAVYGKNZULCOHP-BPUTZDHNSA-N	373.453	2.345	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc2c(c1)CCC2=O	835129911	ATUAFQSTAXGLDS-UHFFFAOYSA-N	365.433	2.445	10	10	FECE	
CCS(=O)(=O)C[C@@H](C)N(C)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-]	733192588	IAYANHCWVPFCIO-YPUOHESYSA-N	370.427	2.040	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](CC)[C@H]3CCCCO3)nc12	847080606	PKVGTDPUZISFNL-LSDHHAIUSA-N	362.430	2.049	10	10	FECE	
COC(=O)[C@@H](F)CNC(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2	846257910	NZROASYJIFDBMH-HNNXBMFYSA-N	362.401	2.156	10	10	FECE	
C[C@H]1[C@H](NC(=O)NCCc2ccc(N)cc2)CC(=O)N1Cc1ccccc1	841897143	VVLYLAMTBUFWCM-HNAYVOBHSA-N	366.465	2.300	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NC[C@@H](O)CN2CCCC2)c1O	848524851	XWMXCMJKXQDCES-DGCLKSJQSA-N	373.291	2.271	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@](C)(O)Cc3ccccc3)C2)cc1	855232261	RVJLZHBUHJBUHI-DYESRHJHSA-N	354.450	2.384	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)NC3CC(C)(C)C3)CC2)cc1	852024017	RNSBUYMZRIKCLD-UHFFFAOYSA-N	360.502	2.305	10	10	FECE	
COC(=O)[C@@H]1OCC[C@@H]1NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	855448843	WZDYBBQNMUDWLD-DLBZAZTESA-N	360.385	2.294	10	10	FECE	
CCCN1CC[C@@H](NC(=O)NCc2cc(Br)ccc2O)C1	852630768	XSHXKIYSTMSUOG-CYBMUJFWSA-N	356.264	2.438	10	10	FECE	
Cc1ccc(C(=O)N2CCO[C@@H]([C@@H](C)O)C2)cc1-n1c(C)cc(C=O)c1C	862005184	UWVLIUJGGGMENA-OXQOHEQNSA-N	370.449	2.437	10	10	FECE	
CCO[C@H](C(=O)NCc1cccc(Br)c1O)[C@@H]1CCOC1	867831418	YJXRBXPJPVGWLH-RISCZKNCSA-N	358.232	2.213	10	10	FECE	
Cc1cc(CCNC(=O)Cn2cc([C@H](C)O)nn2)c(C)n1-c1ccccc1	763024310	DMZNNCCAQNCBJX-INIZCTEOSA-N	367.453	2.098	10	10	FECE	
CCO[C@@H]1COCC[C@@H]1CC(=O)N1CCN(c2ccc(OC)cc2)CC1	864471045	WCSOUGJHOATBBG-VQIMIIECSA-N	362.470	2.176	10	10	FECE	
COc1cc(N2CCN(c3ccc([C@H](C)O)cn3)CC2)cc(OC)c1OC	865677665	GZRFRFKZNIKZMW-AWEZNQCLSA-N	373.453	2.487	10	10	FECE	
Nc1ccc(NC(=O)C(=O)N2CCC(Oc3ccccc3F)CC2)cc1	868263823	WZJFYMMGIFAUNM-UHFFFAOYSA-N	357.385	2.416	10	10	FECE	
CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)N1Cc3cccc(O)c3C1)C2=O	871204376	ZPWQKTWFTFAHJJ-HXUWFJFHSA-N	371.437	2.125	10	10	FECE	
COC(=O)c1c(CN2CCC3(CC2)CNC(=O)C3)c2cc(F)ccc2n1C	894032700	RZMICJPAFVEEID-UHFFFAOYSA-N	373.428	2.206	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)N2CC[C@@H](N=[N+]=[N-])C2)OCC12CC2	2128596917	JXFSBUKRYZEEDF-CHWSQXEVSA-N	365.434	2.456	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@](CO)(C(C)C)C3)C2)cc1	1261662569	RENACKXHEZHIRK-OXQOHEQNSA-N	361.486	2.324	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)c1cc2nccc(C(F)(F)F)n2n1	1465981099	ASTOJORORUAHMW-UHFFFAOYSA-N	366.299	2.132	10	10	FECE	
C[C@@H](c1cc(O)ccc1O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O	2136357303	JHYKRKAWMSAZIA-SMDDNHRTSA-N	366.414	2.165	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1ccc(CS(=O)(=O)C(F)F)cc1	1472063045	DKBDMCBHPOSTSB-UHFFFAOYSA-N	371.361	2.165	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H]2[C@@H](C)OCCN2C(=O)OC(C)(C)C)c1O	2139740692	BVQALGOPFLXYGV-HIFRSBDPSA-N	364.442	2.341	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cc(C3CCC3)nn2C)cc1	155137493	BWBRXGZYWDMMSL-UHFFFAOYSA-N	355.442	2.009	10	10	FECE	
Nc1ccc(NC(=O)NC[C@@]2(O)CCCN(Cc3ccccc3)C2)cc1	1876152525	HGOGQRRTPNLZCP-FQEVSTJZSA-N	354.454	2.417	10	10	FECE	
COc1ccc(O)c(CNC[C@H]2COCCN(C(=O)OC(C)(C)C)C2)c1	1964582542	IGYBPHLWIUJBRJ-CQSZACIVSA-N	366.458	2.374	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(Cc2ccccc2O)C1	1972299962	FHZIDBHJSKOWHG-UONOGXRCSA-N	350.415	2.335	10	10	FECE	
Nc1ccc(-n2ccc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)n2)cc1	312272846	IOJLVVPILGEZGZ-GOSISDBHSA-N	361.449	2.459	10	10	FECE	
CN(C(C)(C)CNC(=O)OC(C)(C)C)S(=O)(=O)Cc1ccc(N)cc1	2044602755	QABHWOPEPHBOJZ-UHFFFAOYSA-N	371.503	2.334	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CCF)C(=O)NCCc1ccc(O)c(O)c1	2060487877	MEDXUBBIAMPBJP-GFCCVEGCSA-N	356.394	2.009	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2060640650	XEEGEKBYEYMQIT-STQMWFEESA-N	353.423	2.314	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@]12CN(C(=O)OC(C)(C)C)C[C@H]1CCO2	2060614634	FJLRPRSEBXCFFH-WBMJQRKESA-N	353.423	2.171	10	10	FECE	
COC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)C1	2060638155	SVOQRIRTEPTKDA-FZWSLVFFSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC(N=[N+]=[N-])CC1)[C@@H]1CCOC1	2060620521	BIXSAKOZAUAYMF-DGCLKSJQSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CC[C@H](O)c3ccccc32)=C[C@H]1O	2188063099	FHXNJCFSXIILGK-HYVNUMGLSA-N	374.437	2.041	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@]2(NCc3cccc(O)c3O)CO[C@H]1C2	2255112293	CCFDBRDGWAWLDG-YEWDVWPNSA-N	350.415	2.012	10	10	FECE	
CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@@H]1CNCc1ccccc1O	2264762770	NSNXWTVEVHBBTR-OIISXLGYSA-N	366.458	2.131	10	10	FECE	
COC(=O)[C@H](C)NC(=O)NCc1cc(C)n(-c2ccc(OC)cc2)c1C	9228679	XEGOPXJHYGFLPV-ZDUSSCGKSA-N	359.426	2.463	10	10	FECE	
CCCCN(C(=O)[C@H](C)Sc1nccs1)[C@H]1CCS(=O)(=O)C1	64661809	NDRFZEBLQSWHRX-RYUDHWBXSA-N	362.542	2.440	10	10	FECE	
CN1C(=O)Cc2cc(N3CCN(C(=O)c4ccc(F)c(F)c4)CC3)ccc21	62576035	RADAAUHPAJWXIF-UHFFFAOYSA-N	371.387	2.446	10	10	FECE	
O=C(Cc1ccc(F)cc1)N1CCN(c2ccc3c(c2)OCCO3)CC1	41380071	ONWLJBWACBRKDC-UHFFFAOYSA-N	356.397	2.488	10	10	FECE	
O=[N+]([O-])c1cc(O)ccc1NS(=O)(=O)c1cncc(Br)c1	44244939	XACDULSUZLUXHC-UHFFFAOYSA-N	374.172	2.259	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3CC(=O)N(C)[C@H](C)C3)c2C)cc1	800650896	HPJUUUBRCZNIFM-CQSZACIVSA-N	355.438	2.405	10	10	FECE	
CCn1ncc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1	815258147	QDVQEHTYILVEQU-UHFFFAOYSA-N	365.384	2.298	10	10	FECE	
C[C@H](CC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)NC(N)=O	847324824	HSFMRFPTZKMSCJ-CQSZACIVSA-N	358.442	2.321	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1	849546594	CBBGQQLGDKHCTJ-VQTJNVASSA-N	369.513	2.146	10	10	FECE	
O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	842519203	XVJBLMWCLBCTSU-VDHUWJSZSA-N	372.465	2.205	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)cs3)C2)C1	926867826	UTKLMWRXKGZMCW-QGZVFWFLSA-N	368.455	2.306	10	10	FECE	
COC(=O)C[C@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1	852602689	IEBROJDNIZBLAO-CQSZACIVSA-N	351.422	2.280	10	10	FECE	
CCN1CCC(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	852187330	PRJAWSYXLMAXMO-KRWDZBQOSA-N	360.502	2.305	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CCCn3ccccc3=O)C2)cc1	855231809	OHLROEPVMXBTTA-MRXNPFEDSA-N	355.438	2.032	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N(C)[C@@H]3CC(C)(C)OC3=O)C2)cc1	854298239	YQHSSZRGXZGIRG-CZUORRHYSA-N	361.442	2.009	10	10	FECE	
O=C1CN(C(=O)/C=C\c2cnccn2)c2cc(Br)ccc2N1	756687624	KBIITAWAYDZISU-RQOWECAXSA-N	359.183	2.238	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H](CO)c1ccsc1	770349103	HPGBHCIUYRWGKW-QGZVFWFLSA-N	361.467	2.118	10	10	FECE	
CC1=C(C)C(=O)N(CCC(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1=O	1135800675	LGLILRAVRKEWIH-UHFFFAOYSA-N	369.465	2.341	10	10	FECE	
COc1cc(OC)c(CNC(=O)c2c(F)ccc(O)c2O)c(OC)c1	790069126	KILXNMSTZNSTLL-UHFFFAOYSA-N	351.330	2.193	10	10	FECE	
C[C@H](O)c1ccc(N(C)CCCS(C)(=O)=O)c(Br)c1	694159003	FXSVAGFFAYZINI-JTQLQIEISA-N	350.278	2.373	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](CNCc2ccc(O)cc2O)OCC12CC2	2129224181	ZBXZNOLJGGABRM-HNNXBMFYSA-N	364.442	2.356	10	10	FECE	
COc1cccc(CN[C@@H]2CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1O	2121675349	UXIUQHKBYXYYOM-LZWOXQAQSA-N	364.442	2.125	10	10	FECE	
Cc1cc(CCNC(=O)C(=O)NC2CCOCC2)c(C)n1-c1ccccc1	1332444122	NQSWJWFBNHNAMT-UHFFFAOYSA-N	369.465	2.048	10	10	FECE	
COC/C(C)=C\CN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	1334069209	GBAKQJQJYLBEKP-UUASQNMZSA-N	350.459	2.427	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2CN(c3cc4c(cc3N)OCCO4)C[C@@H]21	2132356332	KYCLPZMWAMNJAI-DOMZBBRYSA-N	361.442	2.486	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NCc2cccc(O)c2O)C1	1348047974	QKJSDTCLWVAVMP-LBPRGKRZSA-N	350.415	2.361	10	10	FECE	
CN(C)c1ccc(CN(C(=O)CCC(=O)N2CCC(O)CC2)C2CC2)cc1	1543501272	FUBVCIJCCCWQEA-UHFFFAOYSA-N	373.497	2.007	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(CO)nc3)cc2F)C[C@@H](C)O1	1630555386	LRQZNMVKZVWPHO-ZIAGYGMSSA-N	373.428	2.257	10	10	FECE	
CS(=O)(=O)c1cccc(Cl)c1C(=O)NCCc1ccc(O)c(O)c1	1631510436	OJNZRQUOQMZKSY-UHFFFAOYSA-N	369.826	2.127	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1[C@H](C)C(=O)N[C@@H](C)[C@H]1C	1673744438	LZVLYZJHRZYMDF-CAOSSQGBSA-N	360.502	2.299	10	10	FECE	
CN1C(=O)/C(=C2/SC(=S)NC2=O)c2cc(Br)ccc21	1228126	OTHVAOWPNZSTPT-CMDGGOBGSA-N	355.238	2.285	10	10	FECE	
COc1cc(C)cc(CN(C)CCN2C(=O)c3ccccc3C2=O)c1O	164607965	YYRYLDJRRARBND-UHFFFAOYSA-N	354.406	2.437	10	10	FECE	
CCN(CC)C(=O)COc1cn(CCOc2ccc(N)cc2)c(C)cc1=O	1857916885	QWJIJLGYNPXIRK-UHFFFAOYSA-N	373.453	2.065	10	10	FECE	
C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN(C(=O)OC(C)(C)C)C1)c1ccccc1O	1877573901	QEMGEXRHFRJLJL-BFHYXJOUSA-N	364.442	2.187	10	10	FECE	
Oc1cc2c(cc1CNC[C@@H]1COCCN1Cc1ccccc1)OCO2	1880836492	ZUJXJXXUJBLSDW-QGZVFWFLSA-N	356.422	2.112	10	10	FECE	
CN1CCc2cc([C@H](CN)N(C)C3CN(C(=O)OC(C)(C)C)C3)ccc21	1881825065	UNGBMQICPFQZQB-SFHVURJKSA-N	360.502	2.230	10	10	FECE	
O=C1COC[C@H](c2cc(Br)cc(Br)c2O)N1	1951871607	JMGATFUNOIRAFC-MRVPVSSYSA-N	350.994	2.105	10	10	FECE	
C[C@H]1CN(Cc2cc(Cl)cc(Br)c2O)[C@H](C(=O)O)CO1	1968204856	BHOTYZWJHVOYLF-CPCISQLKSA-N	364.623	2.482	10	10	FECE	
Cc1cccc(CNC[C@H](CC2OCCO2)NC(=O)OC(C)(C)C)c1O	1994449392	DZOLQEHNZDRROR-HNNXBMFYSA-N	366.458	2.447	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@H](F)[C@H](O)C3)ccc(N)c2C1	2031869458	FSZVQKCEBXKTBF-XJKSGUPXSA-N	351.422	2.081	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@@H](CNCc2ccc(O)c(O)c2)CO1	2041186664	IPXPMRXBTJEAAI-UONOGXRCSA-N	352.431	2.117	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C	2163144123	LLDJOPYJHWNOHL-RBUKOAKNSA-N	374.529	2.491	10	10	FECE	
C[C@@H](CNC(=O)CCOc1ccc(N)cc1)CNC(=O)OC(C)(C)C	2044209741	GZFGIPVHZZCEHL-ZDUSSCGKSA-N	351.447	2.315	10	10	FECE	
Nc1ccc(S(=O)(=O)NCc2ccccc2O)c(Br)c1	2191707801	PNVZVSGIMITAKH-UHFFFAOYSA-N	357.229	2.215	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@]2(C(=O)C(=O)C[C@H]3C[C@H](N)C3)C[C@H]2C1	2049784310	JOCDSOYHOMTQOB-WFTHSTBKSA-N	350.459	2.289	10	10	FECE	
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)C(=O)C[C@H]1C[C@H](N)C1	2049782507	JSOPFJGFVIXUEF-MGPQQGTHSA-N	350.459	2.289	10	10	FECE	
CO[C@H]1C[C@@H](C(=O)N2CCC[C@H](N=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060615745	RWTPECYGXDWXKT-AVGNSLFASA-N	353.423	2.312	10	10	FECE	
C[C@H](CN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1cc(O)c(O)c(O)c1	2068625353	XRFDHLGOTFWKQS-SNVBAGLBSA-N	354.403	2.131	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)COc2ccc(N)cc2)[C@@H]2CC[C@@H]21	2112100959	IMMWGKBTDQWBLY-CVEARBPZSA-N	361.442	2.258	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)NCCCNC(=O)c1cccc(F)c1	2308001312	VPMVBGBUFWFGNO-UHFFFAOYSA-N	358.369	2.186	10	10	FECE	
O=c1ccc2c(-c3c(O)c(O)cc4ccc(=O)oc34)c(O)c(O)cc2o1	14559664	MCLQXBHUUFURBK-UHFFFAOYSA-N	354.270	2.389	10	10	FECE	biogenic,in-vitro
CSc1ccc(C=C2SC(=S)N([C@@H](CO)C(=O)O)C2=O)cc1	2323832071	HVTZMNHJBRXRJD-JTQLQIEISA-N	355.462	2.055	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2312333810	BGTKFRMIPRVGOW-NDBYEHHHSA-N	353.423	2.094	10	10	FECE	
C[C@H](NCCOC1CN(C(=O)OC(C)(C)C)C1)c1cc(O)ccc1O	2315421925	IPYVGMYMJLOVCZ-LBPRGKRZSA-N	352.431	2.384	10	10	FECE	
CCCN[C@H](c1ccccc1O)[C@H](O)[C@H](CNC(=O)OC(C)(C)C)OC	2352119292	HKJOBLUFZRQLPL-GVDBMIGSSA-N	368.474	2.334	10	10	FECE	
Cc1cc(C(=O)NCC2(C(N)=O)CCOCC2)c(C)n1-c1ccccc1	57009555	VMGDCAHHJXKDQL-UHFFFAOYSA-N	355.438	2.106	10	10	FECE	
Cc1cc(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)c(C)n1-c1ccccc1	171035176	LEUDMPWXZUGRFJ-KRWDZBQOSA-N	351.406	2.114	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN[C@H](C)c3nc(C)cs3)CC2)cc1	184214162	CHHVHDLLDJIFAE-OAHLLOKOSA-N	374.510	2.460	10	10	FECE	
CCOc1ccc(O)c(CN2CCN(c3nccc(OCC)n3)CC2)c1	121516694	HWHOUCMCJWKZBQ-UHFFFAOYSA-N	358.442	2.302	10	10	FECE	
CCOc1ccc(/C=C/C(=O)NCCN2C(=O)CSC2=S)cc1	71500731	PJUQVUYCNPQNIK-VMPITWQZSA-N	350.465	2.075	10	10	FECE	
COC(=O)CCCCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	187348048	OVKNOIQSNNRINT-UHFFFAOYSA-N	352.406	2.012	10	10	FECE	
Cc1cc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1F	44723724	HKBZIUSIEHATTN-AWEZNQCLSA-N	364.442	2.398	10	10	FECE	
NC(=O)c1ccccc1COC(=O)/C=C\c1ccc(N2CCOCC2)cc1	255459430	JXBMPVWXCADGTL-YFHOEESVSA-N	366.417	2.379	10	10	FECE	
CCn1nccc1/C=C\C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	255223556	NRBSUGUJIMZADS-ALCCZGGFSA-N	358.417	2.413	10	10	FECE	
C[C@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C1CCCC1	805804725	DIPCKQZKSBCINO-INIZCTEOSA-N	373.497	2.177	10	10	FECE	
C[C@H](NC(=O)C(=O)NCc1ccc(Cl)cn1)c1ccc(N(C)C)cc1	806721494	GKPCGKONHVBRJG-LBPRGKRZSA-N	360.845	2.295	10	10	FECE	
C[C@H](NC(=O)C(=O)N1C[C@H](C)CC[C@@H]1C)c1ccc(N2CCOCC2)cc1	803302344	MIXZAACGBQUVFR-IKGGRYGDSA-N	373.497	2.347	10	10	FECE	
COc1ccc(N2CCN(CCCNCC3(O)CCCCC3)CC2)cc1	818943378	RLHXYYWQKKSWIS-UHFFFAOYSA-N	361.530	2.492	10	10	FECE	
O=C(/C=C\c1cncc(O)c1)NCc1ccc(N2CCOCC2)c(F)c1	588409194	KSAFBYYWFUHADF-RQOWECAXSA-N	357.385	2.093	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3CCn4ccnc43)CC2)cc1F	836516474	JYDDGUMFRUIZCE-OAHLLOKOSA-N	359.405	2.007	10	10	FECE	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)C12CCN(CC1)C2	907763999	PUGUIGQAEPHHBY-UHFFFAOYSA-N	373.497	2.471	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCN([C@H]3CCNC(=O)CC3)CC2)cc1	835053888	FUWYRDGJPKYCRA-WUUFJKRQSA-N	356.514	2.052	10	10	FECE	
COc1ccccc1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(N)cc1	841025243	VGSLNTDRAWRWNI-KRWDZBQOSA-N	353.422	2.450	10	10	FECE	
COc1ccc(N2CC[C@@H](N3C(=O)N[C@@H](c4cccc(O)c4)C3=O)C2)cc1	849356936	ICRFOXQPUMFDGS-QAPCUYQASA-N	367.405	2.273	10	10	FECE	
CCOC(=O)[C@H]1Cc2cccc(F)c2N(C(=O)/C=C\c2cnccn2)C1	844640793	GUJPTGSPTGPANZ-AFNCTOJWSA-N	355.369	2.398	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC[C@]2(O)CCOC2)C1	842379000	ITIXIUYYFHPMJC-NRFANRHFSA-N	372.465	2.102	10	10	FECE	
C[C@H]1CCCc2nc(S(=O)(=O)NCc3ccc(N(C)C)c(F)c3)cn21	841480392	IMQUGNUHKNIQAR-LBPRGKRZSA-N	366.462	2.464	10	10	FECE	
COC(=O)N1CCC([C@@H](C)NC(=O)NCc2c(O)cccc2F)CC1	922070630	SRCAHUUKLPFNOG-LLVKDONJSA-N	353.394	2.197	10	10	FECE	
CCc1noc([C@H]2CC[C@H](N3C(=O)CN(Cc4ccccc4O)C3=O)C2)n1	925257807	BQZNTFHJWIONFK-JSGCOSHPSA-N	370.409	2.438	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCCN2CCOC2=O)c1	859169657	OHNKUXWLIPJKGI-UHFFFAOYSA-N	369.421	2.479	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc4nnc(C)n4c3)C2)cc1	855233713	LFGBHXXWFLAPPW-OAHLLOKOSA-N	351.410	2.055	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)c2cn(C[C@@H]3CCOC3)nn2)cc1	858201696	TVPYCMNZIJZTGY-KRWDZBQOSA-N	371.485	2.433	10	10	FECE	
CO[C@@H](C(=O)NCc1cc(NC(=O)[C@H](OC)C(C)C)ccc1O)C(C)C	923120309	PLXMLPVBDWMYNN-IAGOWNOFSA-N	366.458	2.289	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3c[nH]nc3-c3ccncc3)C2)cc1	855229905	CSQIMVGNVCEIEY-OAHLLOKOSA-N	363.421	2.489	10	10	FECE	
CO[C@@H]1CCC[C@H]([C@H](CO)NC(=O)NCCCSc2nccs2)C1	853854574	BUEUQIUDGMLJNP-MJBXVCDLSA-N	373.544	2.491	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CNC(=O)c1ccc(F)cc1F	935947724	CTTNRPXIZRTPOU-UHFFFAOYSA-N	369.364	2.202	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@]1(C)Br	862039880	SGYFGVZLWAUKGF-BLLLJJGKSA-N	370.243	2.457	10	10	FECE	
COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2Cc2ccc(N3CCOCC3)cc2)O1	930351320	OQODEWFVGSBEIQ-LDTOTXGLSA-N	374.481	2.207	10	10	FECE	
CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)NCc1ccc(N(C)C)cc1	775447164	LHERMBWBMGHOHY-SJORKVTESA-N	363.458	2.005	10	10	FECE	
COC(=O)c1cc(F)c(C)c(S(=O)(=O)N(C)Cc2ccccc2O)c1	770251678	DDDVZTYSVFYKJG-UHFFFAOYSA-N	367.398	2.447	10	10	FECE	
CC[C@H]1C(=O)N(CC)CCN1c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-]	777841673	UHSBFCZSUURPKP-LEJCZOIISA-N	361.398	2.228	10	10	FECE	
COCCOc1cc2c(cc1CNCc1ccc(OC)cc1O)OCO2	793387450	DRDRUPYQKABFCO-UHFFFAOYSA-N	361.394	2.445	10	10	FECE	
COc1ccc(O)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1	1304768572	NIKVNNYDQLYFFJ-GOSISDBHSA-N	357.454	2.500	10	10	FECE	
C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@H](c2ccccc2)O1	1329788892	XGSWNTOHSCCSNO-AUUYWEPGSA-N	366.417	2.223	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCCN(CC(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1	2124505387	KXWNDWNTWMBYJG-UONOGXRCSA-N	366.466	2.134	10	10	FECE	
CC(C)(C)OC(=O)N1CCn2ncc(C(=O)NCC3(CN=[N+]=[N-])CC3)c21	2124513120	AEIJKHOCCVTCMZ-UHFFFAOYSA-N	361.406	2.459	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COC[C@]1(C)C(=O)N1CCC(CN=[N+]=[N-])CC1	2124532650	LKABNBPJNCLKFO-GUYCJALGSA-N	367.450	2.465	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1F	1257519730	FIWCTXXJAJFYOD-WBVHZDCISA-N	355.413	2.180	10	10	FECE	
CC(C)(C)N1CCC[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1=O	1338309328	LGYCPVAOBMGWDJ-GOSISDBHSA-N	373.497	2.177	10	10	FECE	
Nc1ccc(CS(=O)(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1	2132364587	MXQULQHHBCMOHC-AZUAARDMSA-N	371.506	2.305	10	10	FECE	
CC(=O)Nc1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)nc1	1264822515	UGORYWNZPXUIHT-CQSZACIVSA-N	368.437	2.368	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)N1Cc2cccc(O)c2C1	1261857911	YYKAJEUSHBPJKM-UHFFFAOYSA-N	354.406	2.379	10	10	FECE	
CO[C@@]1(c2nnc(N(C)Cc3ccccc3O)n2CC2CC2)CCOC1	1348038474	FTCXGCMGFLJAIJ-IBGZPJMESA-N	358.442	2.292	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1	1455560493	SZTKPUVVCKFPCB-HLIPFELVSA-N	368.433	2.440	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)C(=O)c1ccc(F)cc1	1627014579	ZYFKFOWBIMCCRN-UHFFFAOYSA-N	359.353	2.306	10	10	FECE	
COc1ccc(CNC[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1C	1715233059	FUOORVNIYKQPBJ-IAOVAPTHSA-N	356.470	2.372	10	10	FECE	
CC[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1	1759898359	KOHAHFVLUUWUOQ-BXUZGUMPSA-N	357.414	2.274	10	10	FECE	
O=C(NCc1c(O)cccc1F)N[C@H]1CS(=O)(=O)Cc2ccccc21	1682929366	FWDATEXQGYKCFM-HNNXBMFYSA-N	364.398	2.000	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)N3CCC[C@H](N=[N+]=[N-])C3)O2)C1	2140445966	OZUKNAYXVAOPEL-STQMWFEESA-N	365.434	2.456	10	10	FECE	
Cc1sc(CN2CCOCC2)nc1-c1cn(-c2ccc(N)cc2)nn1	887475434	GZVJGEPUDLJLHV-UHFFFAOYSA-N	356.455	2.114	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NCc3ccc(O)c(O)c3O)[C@H]2C1	2033980726	BZYBLNFFRRKCGE-AVGNSLFASA-N	350.415	2.148	10	10	FECE	
CC(C)(C)OC(=O)N1CC2CCC1(C(=O)C(=O)C[C@H]1C[C@H](N)C1)CC2	2049783387	VPGSGPJYFPWJGU-DNPRYDFPSA-N	350.459	2.432	10	10	FECE	
CN(C[C@H]1CCN1C(=O)OC(C)(C)C)S(=O)(=O)Cc1ccc(N)cc1	2044596936	AHEXNDBGXXDCLA-OAHLLOKOSA-N	369.487	2.040	10	10	FECE	
CN(C)c1ccc(CN=c2cc(I)nc[nH]2)cc1	2052866104	SPYHNVYNMZTUHS-UHFFFAOYSA-N	354.195	2.181	10	10	FECE	
C[C@@H](N=c1[nH]ccnc1I)c1c(O)cccc1O	2057936388	AHZHZLLCJUUDKE-SSDOTTSWSA-N	357.151	2.087	10	10	FECE	
COCC1(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)CC(NC(=O)OC(C)(C)C)C1	2218238373	FIHZENBYIALJSN-OPGSHWCFSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)C1	2278886761	HWAMXHSXHFPNMF-DCGLDWPTSA-N	365.434	2.314	10	10	FECE	
CCOC(=O)C[C@H](C)N(C)C(=O)C=Cc1ccc(N2CCOCC2)cc1	2308336919	COFVJBXOLPLMNI-INIZCTEOSA-N	360.454	2.337	10	10	FECE	
COc1ccc(N2CCN(CCCNCc3nc(C)ccc3O)CC2)cc1	103341194	FXMBTIHTNBMIEX-UHFFFAOYSA-N	370.497	2.406	10	10	FECE	
Nc1ccc(NC(=O)CS(=O)(=O)c2cccc(Br)c2)cc1	55308196	FSDZRJQXWVXQJM-UHFFFAOYSA-N	369.240	2.444	10	10	FECE	
COC(=O)[C@@H]1C[C@H](C)N(C(=O)c2cc(O)c(O)c(O)c2)c2ccccc21	170190730	LMQCWYAQHVBEDU-GXFFZTMASA-N	357.362	2.499	10	10	FECE	
COc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C3	170190612	ZXQVFJLJUZLNHT-JTQLQIEISA-N	354.362	2.191	10	10	FECE	
C[C@@H](O)CN1CCC(CN(C)Cc2ccc(N3CCOCC3)cc2)CC1	121108487	XAKDWVHIDRRDBT-GOSISDBHSA-N	361.530	2.048	10	10	FECE	
CS(=O)(=O)CCCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	71530061	ULWFOCALMXRNPR-UHFFFAOYSA-N	371.414	2.225	10	10	FECE	
CN(C)c1ccc(CNC(=O)N[C@H]2CCCCC[C@@H]2C(N)=O)cc1F	131315531	CCVOBKWKTXSVLS-ZFWWWQNUSA-N	350.438	2.125	10	10	FECE	
COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccc(N)cc2)cc1	237313599	ASVBURDZISGWFP-SFHVURJKSA-N	353.422	2.450	10	10	FECE	
CCNC(=O)[C@@H](C)NC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	435621184	JOHLWISIWBDUEN-OAHLLOKOSA-N	370.497	2.049	10	10	FECE	
O=C(CNC(=O)NCc1cc(Br)ccc1O)NC1CCCC1	805022774	DAAQOIOAVHZZIY-UHFFFAOYSA-N	370.247	2.013	10	10	FECE	
CN1CCCc2cc(CNC(=O)[C@H]3CC(c4ccccn4)=NO3)ccc21	906454913	JSOJXVMCUVHRRO-LJQANCHMSA-N	350.422	2.273	10	10	FECE	
CCS[C@H]1CCCCN(Cc2cc(O)n3ncc(C(=O)O)c3n2)C1	737893255	BVXZICSWLCJOQD-LBPRGKRZSA-N	350.444	2.241	10	10	FECE	
COc1ccc(O)c(CNC(=O)c2c[nH]c3cc(OC)ccc3c2=O)c1	734015269	DWMWQMWEZBSNLA-UHFFFAOYSA-N	354.362	2.181	10	10	FECE	
COc1cccc(CNC(=O)[C@H](C[C@@H]2COCCO2)C(F)(F)F)c1O	830539837	AGUCKBGMHMCOLP-NEPJUHHUSA-N	363.332	2.001	10	10	FECE	
COC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)c1cc2cc(O)c(O)cc2s1	913437145	OXONOFHEHGNBCQ-BTDLBPIBSA-N	365.407	2.105	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N(C)C[C@H]2CCS(=O)(=O)C2)cc1	740906985	KVMAITQPMAPTBI-MRXNPFEDSA-N	367.515	2.109	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NCC[C@]2(O)CCOC2)cc1F	844963571	IZIZGLLFKOHLLL-SFHVURJKSA-N	353.438	2.013	10	10	FECE	
COc1ccc(N(C)CCN(C)c2nnc(Cc3ccccn3)n2C)cc1	846295004	WMLGXBAJCPJVOM-UHFFFAOYSA-N	366.469	2.382	10	10	FECE	
O=C(NCc1c(O)cccc1F)NC1CCN(c2nccs2)CC1	922337793	JQIDFYWNQCOHQY-UHFFFAOYSA-N	350.419	2.456	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CCO)c3ccco3)C2)cc1	854298379	BVLJUQNPZTUIBL-WMLDXEAASA-N	359.426	2.290	10	10	FECE	
CCN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CCN(C)C1	853434712	CQLZPAFFGISJFN-SFHVURJKSA-N	362.543	2.475	10	10	FECE	
Cc1cc(CNC(=O)NCC[C@]2(O)CCOC2)c(C)n1-c1ccccc1	858584072	LGGVXBMFSYAHJJ-FQEVSTJZSA-N	357.454	2.435	10	10	FECE	
Fc1cc(CN[C@@H]2CCO[C@]3(CCOC3)C2)ccc1N1CCOCC1	770751770	BKOUBGPMABQAGO-VQIMIIECSA-N	350.434	2.090	10	10	FECE	
COc1ccc(CNC(=O)c2coc3c2C(=O)NCC(C)(C)C3)c(O)c1	1139032712	PCSSQRKLYHYKFY-UHFFFAOYSA-N	358.394	2.236	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CC[C@@H]1CC[C@H](C2OCCO2)O1	895485170	LRCLSKQFYIUEEC-ZWKOTPCHSA-N	362.470	2.412	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)OCC(=O)N2	797617109	KSGQREBQZPTJBC-SNVBAGLBSA-N	357.366	2.181	10	10	FECE	
COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(-n2c(C)ccc2C)cc1	1152001082	BDMJKLUIGXTYNA-SJLPKXTDSA-N	356.422	2.402	10	10	FECE	
CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(CCCCN=[N+]=[N-])C1	2117995062	ILJHTCYFLHHKHZ-AWEZNQCLSA-N	368.482	2.430	10	10	FECE	
CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2124540125	DEJZPTAFVOOFKF-NEPJUHHUSA-N	369.422	2.134	10	10	FECE	
CC1(C)C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CCS1(=O)=O	1456566400	ZFFZJUDRDSMHME-JTQLQIEISA-N	369.464	2.398	10	10	FECE	
CN(CCC(=O)NCc1cccc(O)c1O)C(=O)OCc1ccccc1	1521852223	SNTVLMIMKNIFCN-UHFFFAOYSA-N	358.394	2.373	10	10	FECE	
Cc1c(C(=O)NCc2c(O)cccc2F)nnn1-c1cccc([N+](=O)[O-])c1	1456090345	JZUWOIDGJZUKDI-UHFFFAOYSA-N	371.328	2.259	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)CC(=O)NCC(F)(F)F	1539467859	GKEJVSWXRWLQDA-UHFFFAOYSA-N	357.376	2.314	10	10	FECE	
CCCN1CCC[C@H](C(=O)N(CC(=O)OCC)Cc2ccccc2O)C1	1557113855	ISWNIZOWDFEOHN-KRWDZBQOSA-N	362.470	2.406	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cccc(CNC(C)=O)c3)C2)cc1	1587113988	PNJFJGLRKKUYGF-GOSISDBHSA-N	367.449	2.340	10	10	FECE	
O=C(CCC(=O)Nc1c(F)cccc1F)NCc1cccc(O)c1O	1651175589	DPITYNPMCQLLNK-UHFFFAOYSA-N	350.321	2.411	10	10	FECE	
CN1C[C@@H](CCNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC1=O	1676117623	JJZFGYXRWXJDMC-KRWDZBQOSA-N	358.486	2.297	10	10	FECE	
CCOC(=O)c1ccccc1NC(=O)CN1C(=O)[C@@H](C)SC1=S	11635530	IXNJSLLRYVGLRQ-SECBINFHSA-N	352.437	2.051	10	10	FECE	
COCC1=CCN(c2cc3c(cc2Br)[C@@H](N)C(=O)N3)CC1	167794022	BOPRUAGOSHNPSU-CQSZACIVSA-N	352.232	2.184	10	10	FECE	
O=C(N[C@@H]1CC[C@@H]1NC(=O)c1ccc(O)c(O)c1)OCc1ccccc1	1982317813	WBEMNWOPLWXKEM-LSDHHAIUSA-N	356.378	2.285	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NCc1cc(F)cc(F)c1O	2036602428	MXMFALAOTWWBDL-SMDDNHRTSA-N	358.385	2.300	10	10	FECE	
CN(Cc1cncs1)c1cc2c(cc1Br)[C@H](N)C(=O)N2	400110752	KJLGUXMQOHQKPS-LBPRGKRZSA-N	353.245	2.494	10	10	FECE	
CO[C@@H]1C[C@H](CNCc2cccc(O)c2O)N(C(=O)OC(C)(C)C)C1	2052355125	JPRIRPKQPFQXES-ZIAGYGMSSA-N	352.431	2.212	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1ccc(O)c(O)c1	2054397759	LTQVKGRPLNZWKS-WCQYABFASA-N	350.415	2.473	10	10	FECE	
COC1(C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)CN(C(=O)OC(C)(C)C)C1	2060642581	ZDDAFJPKXUZVRU-GFCCVEGCSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(C)C(=O)NCC1(CN=[N+]=[N-])CC1	2060632483	BMHXOMXIFMUFEA-IAQYHMDHSA-N	353.423	2.123	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(N=[N+]=[N-])CC1)[C@H]1CCCO1	2060638651	ZNKYHBBCYZWDNF-OLZOCXBDSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)N2CC[C@@H](N=[N+]=[N-])C2)C1	2060640617	WVLOIYOTHBGOKC-OLZOCXBDSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)NC1CC2(C1)[C@@H](C(=O)N1CC(N=[N+]=[N-])C1)C2(F)F	2086048314	UZXZGVXSNQAMKY-MHMQJKDYSA-N	357.361	2.446	10	10	FECE	
CC(C)(C)OC(=O)N[C@](C)(C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-])C(C)(C)O	2218746635	RHDVJMKUMPALHH-XMZIXOGTSA-N	355.439	2.388	10	10	FECE	
CN(C)c1ccc([C@H](O)[C@]2(C(=O)O)C=CCN2C(=O)OC(C)(C)C)cc1	2228868636	OMOAVEULBSAPMX-KXBFYZLASA-N	362.426	2.416	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2253549379	ZYMJOPWRUWRNFN-FVCCEPFGSA-N	353.423	2.094	10	10	FECE	
C[C@H]1CN2CCC[C@H]2CN1C(=O)C=Cc1ccc(N2CCOCC2)cc1	2297564652	VADBEIADBONWNZ-PXNSSMCTSA-N	355.482	2.232	10	10	FECE	
CSC1(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CN(C(=O)OC(C)(C)C)C1	2300114407	AXVXKILDGYIARC-LLVKDONJSA-N	355.464	2.498	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])O1	2312333853	CTEHUBHYIQHUHT-NDBYEHHHSA-N	353.423	2.406	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[C@H]1C(=O)NCCc1ccc(O)c(O)c1	2331196810	ZDYOWVGBQHFPIA-KWCYVHTRSA-N	364.442	2.306	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCc2cc(O)c(O)cc2C1)C1CC1	2341197708	SJEVVYZZEPERKG-MRXNPFEDSA-N	362.426	2.286	10	10	FECE	
CCN[C@H]1C(=O)Nc2cc(N(CCO)C(C)C)c(Br)cc21	118712106	HIMRKNZVYVMSDI-CQSZACIVSA-N	356.264	2.259	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N[C@H](C)c1c(O)cccc1O	305891014	JKVBAIBZKXNPMW-XUJVJEKNSA-N	352.431	2.383	10	10	FECE	
Cc1cccc(OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1	181803863	BSXPYOANLKYYPP-UHFFFAOYSA-N	359.401	2.061	10	10	FECE	
O=C(NCC1CCN(C[C@H](O)c2ccccc2)CC1)c1cccc(O)c1O	193126904	IQVAENIIKGGHQC-IBGZPJMESA-N	370.449	2.273	10	10	FECE	
COc1cc(O)c(CN2CCC[C@@H](c3nc(N(C)C)no3)C2)cc1OC	194924046	RBARZDZCTKWKNW-GFCCVEGCSA-N	362.430	2.238	10	10	FECE	
COCCOC[C@H]1CCN(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)C1	255503731	TZVUYSCQLJRJED-OCTSTCLRSA-N	374.481	2.048	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCCc1ccccn1	807106127	KEUUUQNUWGSQMG-UHFFFAOYSA-N	368.481	2.245	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CNC(=O)NC1CCCCC1	808093072	HHGBINCRHNYPFL-UHFFFAOYSA-N	354.447	2.126	10	10	FECE	
COCCn1cc(C(=O)NCc2cc(Br)ccc2O)c(C)n1	804735171	NUXVTQWXSAIPNG-UHFFFAOYSA-N	368.231	2.236	10	10	FECE	
C[C@@H]1CN(c2cc3c(cc2N)NC(=O)CC3)CC[C@H]1NC(=O)C(F)(F)F	2163123589	NBODOZBEEHUDBS-BXKDBHETSA-N	370.375	2.047	10	10	FECE	
CC(C)(C)OC(=O)NC1[C@H]2CN(CCCC(=O)Nc3ccc(N)cc3)C[C@H]12	2164057393	URVRJSIQZOVONP-HOTGVXAUSA-N	374.485	2.442	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cc3noc([C@H]4CC45CC5)n3)CC2)cc1	817394922	DIGOHSVAUJYFFA-MRXNPFEDSA-N	368.437	2.237	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)NCC3CCCCC3)C2)cc1	824916923	IVOCDLYIYOJCLF-QGZVFWFLSA-N	373.497	2.334	10	10	FECE	
CCO[C@H]1[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)[C@H]1C	906859429	RNSYMKLKZTXHIV-OCBCSQNSSA-N	350.434	2.074	10	10	FECE	
CN(c1cccnn1)C1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	588404828	UUVASHXVAAQLNR-ALCCZGGFSA-N	354.410	2.028	10	10	FECE	
C[C@H]1CN(CC(F)(F)F)CCN(C(=O)NCCc2ccc(N)cc2)C1	841955439	CAYYBZHFRPEZKH-ZDUSSCGKSA-N	358.408	2.337	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N2CCOc3c(C)cc(C)cc32)c1	844895682	CWRQIWSLJDEBKL-PLNGDYQASA-N	351.406	2.497	10	10	FECE	
CCON(C)C(=O)CNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C	846501000	MCYRBFMLSPJPLD-UHFFFAOYSA-N	359.426	2.242	10	10	FECE	
C[C@@H](NCCCN1CCCS1(=O)=O)c1cc2c(cc1O)CCCC2	756688498	OMNOMYSJZLXTEP-CQSZACIVSA-N	352.500	2.347	10	10	FECE	
CN(C)C(=O)N(C)[C@H]1CCN(C(=O)NCCCSc2nccs2)C1	853859790	YCYYJBCSGLWKGV-LBPRGKRZSA-N	371.532	2.023	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](CO)Cc3ccco3)C2)cc1	854303041	RSZADAAQZKIIHD-JKSUJKDBSA-N	373.453	2.017	10	10	FECE	
CCN1CCC[C@@H](CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	852456595	ZEMGRLSOTXDXOM-DLBZAZTESA-N	360.502	2.305	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cnn(-c4ccccc4)n3)C2)cc1	855230919	ZYHSWFAVPHNOBQ-OAHLLOKOSA-N	363.421	2.285	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C)C3CCC(CO)CC3)C2)cc1	854300533	VIFRQHNAIBFWEV-CGZBRXJRSA-N	361.486	2.466	10	10	FECE	
NC1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC2(CCC2)C1	852860191	MVKJOVCOIANFMU-UHFFFAOYSA-N	357.498	2.173	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCO[C@H]([C@@H](C)O)C2)c1	862002901	FSXDXHHAIACKHK-BEFAXECRSA-N	356.422	2.128	10	10	FECE	
O=C(NCc1ccccc1O)C(=O)Nc1csc(-c2ccccn2)n1	762643634	BJAJQQNKINGGHP-UHFFFAOYSA-N	354.391	2.166	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCc2cn(C)nn2)C1	766892807	AGPDEQIGBCPSHQ-UHFFFAOYSA-N	367.453	2.280	10	10	FECE	
C[C@H]1C[C@H](c2cccnc2)N(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1	1118941368	BGGYGSMVHOVUFH-SUMWQHHRSA-N	351.406	2.239	10	10	FECE	
COc1ccc(CN(C)c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)cc1O	786796904	MAFHZHIJMPPIDV-UHFFFAOYSA-N	359.338	2.276	10	10	FECE	
O=C(NCCc1csc(N2CCCC2)n1)c1c(F)ccc(O)c1O	789978840	OISULJACCXCEAI-UHFFFAOYSA-N	351.403	2.266	10	10	FECE	
O=C(NCc1cc(Cl)ccc1O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	1146233601	XSVBTIDYBBMNOX-UHFFFAOYSA-N	373.756	2.465	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)NC[C@@]3(O)CCN(C)C3)c2C)c1	1313133859	XDLCCNUSJBSROP-NRFANRHFSA-N	370.497	2.268	10	10	FECE	
Cc1cncc([C@H]2CCCN2C(=O)C(=O)N(C)Cc2ccccc2O)c1	1329931012	CFDXAKXMARRUTO-QGZVFWFLSA-N	353.422	2.418	10	10	FECE	
C[C@H](NC(=O)C(=O)NC[C@]1(C)CC1(C)C)c1ccc(N2CCOCC2)cc1	1353742084	PLRVCXNKOPVQHM-BTYIYWSLSA-N	373.497	2.253	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](CO)(NC(=O)Nc2ccc(N)cc2)C1	2133756615	YFWXXVKRDGEVFH-GOSISDBHSA-N	364.446	2.152	10	10	FECE	
CC(=O)NCc1cccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1	1359872263	JBBBDMLQFSZZJR-UHFFFAOYSA-N	353.422	2.412	10	10	FECE	
CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NCc1c(O)cccc1F	1558454690	JUPLEQIXGKKTNW-UHFFFAOYSA-N	365.292	2.467	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)Cc1ccc(O)c(O)c1	1633830599	YQPUJHSMIOCKBU-CYBMUJFWSA-N	350.415	2.156	10	10	FECE	
Nc1c(F)cccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	1634423991	PZYWRPDJOWGQJI-UHFFFAOYSA-N	361.392	2.438	10	10	FECE	
COc1cccc(CNC(=O)NCc2ccnc(-c3ccccn3)n2)c1O	1675585517	RQDDAYYRVTXYKE-UHFFFAOYSA-N	365.393	2.252	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)N[C@H](CO)C3CCCCC3)cc2)CC1	1684873454	HNXSSXSTBCAOOC-HXUWFJFHSA-N	374.529	2.179	10	10	FECE	
CCOC(=O)CCN(CC)C(=O)CNCc1ccc(N(CC)CC)cc1	1857866630	ULUQLZCZVPJRHX-UHFFFAOYSA-N	363.502	2.424	10	10	FECE	
CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1	1884989083	OKTZHOJDSRWIBT-GFCCVEGCSA-N	366.414	2.323	10	10	FECE	
C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1ccn(-c2ccc(N)cc2)n1	2162976466	LGEICTIHIKUDON-ZDUSSCGKSA-N	373.457	2.440	10	10	FECE	
CNCc1ccc(N(C)C[C@@H]2CCCS2(=O)=O)c(Br)c1	694111438	DOSFMGUFQHPUKD-LBPRGKRZSA-N	361.305	2.182	10	10	FECE	
COc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)OCO4)C2=O)c1	1197259	ZTEFRBLTNOXZLB-VGOFMYFVSA-N	366.329	2.090	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1Nc1c(N)cccc1C(=O)O	2046526011	VZKAVWLUMQHVRN-CHWSQXEVSA-N	351.403	2.061	10	10	FECE	
C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1ccccc1O	2060431249	WIESFADWFPLITL-SLEUVZQESA-N	352.431	2.186	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(=O)N2CCC[C@H](N=[N+]=[N-])C2)CO1	2060610363	HCXLCABUYFSRPX-AGIUHOORSA-N	353.423	2.218	10	10	FECE	
COC[C@H](CC(=O)N1CCC[C@@H](CN=[N+]=[N-])C1)NC(=O)OC(C)(C)C	2060617895	SJSSOLLOQOXGHV-STQMWFEESA-N	355.439	2.465	10	10	FECE	
C[C@H](C(=O)N(C)CCCN=[N+]=[N-])N1CCN(C(=O)OC(C)(C)C)CC1	2060618175	WICJVOWUQTZWBT-CYBMUJFWSA-N	354.455	2.086	10	10	FECE	
CC(C)(C)OC(=O)NC1(CNC(=O)Cc2ccc(N)cc2)CCOCC1	2106236975	IWOXTEYBRHEWSW-UHFFFAOYSA-N	363.458	2.001	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(Cc3cc(N)ccc3O)C[C@@H]21	2106685493	PHYWEBRLXYWRLY-DOTOQJQBSA-N	363.458	2.185	10	10	FECE	
CN1CCc2cc([C@@H](O)c3cn(C)[nH]c3=NC(=O)OC(C)(C)C)ccc21	2106798817	PADBXBBJOMNNEY-MRXNPFEDSA-N	358.442	2.263	10	10	FECE	
CN1CCc2cc([C@H](O)CN3CCN(C(=O)OC(C)(C)C)CC3)ccc21	2106796515	RLMGBBLCEZLZGY-GOSISDBHSA-N	361.486	2.265	10	10	FECE	
C[C@@H](NCCn1cc(I)cn1)c1ccc(O)cc1O	2097157064	AHCWDUAXDMJHGY-SECBINFHSA-N	373.194	2.250	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-])[C@@H]1CCCO1	2218743907	HGOFDDRXUAMONV-NDBYEHHHSA-N	353.423	2.406	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])CC1	2225794978	JXTIENPLJPKQOU-OLZOCXBDSA-N	367.450	2.486	10	10	FECE	
Cc1ccc(CNCCn2cc(CNC(=O)OC(C)(C)C)nn2)c(O)c1	2271501086	OUQBXHULSOAKDX-UHFFFAOYSA-N	361.446	2.107	10	10	FECE	
O=C(O)[C@H]1CCOCCN1Cc1cc(Cl)cc(Br)c1O	2285386085	JDLHEKWUOMOPKM-LLVKDONJSA-N	364.623	2.484	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N[C@H]1CCCN(c2ccccc2)C1=O	2307987346	UMWLBIXTXYEDAM-INIZCTEOSA-N	352.390	2.423	10	10	FECE	
CN[C@H](c1ccccc1O)[C@@]1(O)C[C@H](OC)CN(C(=O)OC(C)(C)C)C1	2344434737	YUSFZEUBEPQLKL-URKNILKWSA-N	366.458	2.040	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@](N)(c2ccc3c(c2)CCN3C)C1	2344479685	DSBVLUHPJILECB-UZLBHIALSA-N	361.486	2.489	10	10	FECE	
COC(=O)[C@@H](C)CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	177580597	JRBGZZIYKGTWEW-YJBOKZPZSA-N	362.470	2.459	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@](C)(O)C(C)(C)N	1952209056	PYJPROXFDNDQDG-KDOFPFPSSA-N	354.447	2.022	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)CNC(=O)c3cccnc3)cc2)CC1	119942137	ZRILHYCZRJFGIS-UHFFFAOYSA-N	366.465	2.364	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCCC[C@@H]1CO	175974298	VWUJIKSDKQJMAF-WBVHZDCISA-N	365.449	2.013	10	10	FECE	
COCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(N2CCOCC2)cc1	125111043	BAFQJYUHAOYEMA-YJBOKZPZSA-N	371.485	2.447	10	10	FECE	
CC[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CCN1C[C@@H](C)O	181817899	NBGQLFOFYIJDFU-MJGOQNOKSA-N	372.513	2.049	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]12C[C@H]2C(=O)N1CCc2cc(O)c(O)cc2C1	2366906802	WIEIKUXMVYHQDG-GQWAEJPESA-N	374.437	2.286	10	10	FECE	
CC(C)(C)OC(=O)N1Cc2nccn2C[C@H](NCc2ccc(O)c(O)c2)C1	2163404154	DVKJNHKOPKWBTK-AWEZNQCLSA-N	374.441	2.203	10	10	FECE	
Cc1cccc(C2(O)CCN(C(=O)C(=O)Nc3ccc(N)cc3)CC2)c1C	841061007	DHAZBYQMLRKSGD-UHFFFAOYSA-N	367.449	2.334	10	10	FECE	
Cc1cc(C(=O)N2CC(CO)C2)c(C)n1-c1ccc(Br)cn1	843852777	GDPXNONJJAOUGD-UHFFFAOYSA-N	364.243	2.316	10	10	FECE	
COC(=O)[C@@H](NCc1cc(C)cc(Br)c1O)c1ccnn1C	843429602	HQDDOZASDZZGSJ-ZDUSSCGKSA-N	368.231	2.201	10	10	FECE	
COc1nc(NCc2ccc(N3CCOCC3)c(F)c2)ccc1C(=O)O	844207628	KGAJKCRKOKQLFF-UHFFFAOYSA-N	361.373	2.376	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)NCC3(C(=O)O)CCC3)C2)cc1	851653098	YFAXRCAKMQNPCI-CQSZACIVSA-N	361.442	2.076	10	10	FECE	
CO[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	852308736	MRDKQMRGHCLOGP-OALUTQOASA-N	361.486	2.405	10	10	FECE	
Cc1noc(C)c1CO[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	762470890	GYNWPUSQBZDKEP-RDTXWAMCSA-N	360.410	2.214	10	10	FECE	
CCON(C)C(=O)CNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1	862132098	XSPGETNIZRHZNO-UHFFFAOYSA-N	357.410	2.046	10	10	FECE	
Cc1ccc(O)c(CNC(=O)c2ccc(CNC(=O)C(F)(F)F)o2)c1	862753756	GQKRPDXNYJTUEE-UHFFFAOYSA-N	356.300	2.402	10	10	FECE	
CC(C)C[C@@H]1C(=O)N(Cc2ccc(N3CCOCC3)c(F)c2)C(=O)N1C	761091382	OCVKWJBSMAKCHK-QGZVFWFLSA-N	363.433	2.471	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CC[C@H]1CC[C@@H](C2OCCO2)O1	895485167	LRCLSKQFYIUEEC-MSOLQXFVSA-N	362.470	2.412	10	10	FECE	
O=C(NC[C@H]1CCCCS1(=O)=O)c1cc2cc(O)c(O)cc2s1	1137781349	GRPWELXBOHXTAU-SNVBAGLBSA-N	355.437	2.010	10	10	FECE	
CCOC(=O)c1n[nH]c(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)n1	787904887	FNZGVLRCCDGUCY-UHFFFAOYSA-N	367.409	2.319	10	10	FECE	
O=C(NCCCCCO)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	790798447	GRSLKDIYEPWEMM-UHFFFAOYSA-N	374.529	2.180	10	10	FECE	
CC[C@@H](NCC1(S(N)(=O)=O)CC1)c1cc(Br)ccc1O	714007980	IHBRFIFAOYOLPR-LLVKDONJSA-N	363.277	2.017	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CC(=O)NCc1cc(O)ccc1O)C(F)F	1303227622	NCPCCRVKBFXRNL-LLVKDONJSA-N	360.357	2.263	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](NCc2ccc(N3CCCC3)cc2)[C@H](O)C1	2126240096	NHYHJZOPNVMZMG-ZWKOTPCHSA-N	361.486	2.357	10	10	FECE	
C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(O)c(O)c(O)c1	2132348039	CJDJBHLOCVZTRN-CZUORRHYSA-N	356.422	2.444	10	10	FECE	
CN(Cc1ccccc1)C(=O)CNC(=O)c1ccc(N=NC(N)=O)cc1	1441861938	INJWOTSDUANOOL-UHFFFAOYSA-N	353.382	2.237	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)cc1	1471031940	UZWHRFASMANBCI-SFTDATJTSA-N	365.433	2.219	10	10	FECE	
CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1	1701629933	DAPRSOHRVHGFTA-YWPYICTPSA-N	359.430	2.472	10	10	FECE	
C[C@H](NC(=O)c1ccc2ncn(C)c2n1)c1ccc(N2CCOCC2)cc1	1625882421	HVEKPTFZMXKNPQ-AWEZNQCLSA-N	365.437	2.296	10	10	FECE	
Cn1nccc1[C@@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCO1	1627723470	LTJYAJKHDSQABX-HIFRSBDPSA-N	356.386	2.233	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCCc1nc(-c2ccc(Cl)cc2)n[nH]1	1556543223	QNJIWWPIRRZGOW-UHFFFAOYSA-N	372.812	2.438	10	10	FECE	
O=C(N[C@H](CO)Cc1ccc(O)cc1)c1cc2cc(O)c(O)cc2s1	1632023851	NMLWOHKZUHFZCF-LBPRGKRZSA-N	359.403	2.352	10	10	FECE	
CCOc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)O)[C@@H](C)O)C2=O)cc1	1858592252	KNLLQGNCXQHKRS-ZSKORGCUSA-N	367.448	2.121	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](O)C1	1878975584	GBYFZOUHOWVSMC-WTOJCKNJSA-N	364.442	2.330	10	10	FECE	
Nc1ccc(OC[C@H](O)CN2CCCN(Cc3ccccc3)CC2)cc1	323488148	RKKWCPOZYRLHOO-HXUWFJFHSA-N	355.482	2.216	10	10	FECE	
CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)[C@H]2CC[C@@H]21)c1ccc(N)cc1	2168384217	IOKKZJGCJUWTLH-IRXDYDNUSA-N	374.485	2.315	10	10	FECE	
CCS(=O)(=O)[C@@H]1CCN(Cc2cc(Br)cc(C)c2O)C1	2179906227	VOVLJMOWTWCOIX-CYBMUJFWSA-N	362.289	2.472	10	10	FECE	
CN[C@@H](c1ccc(N(C)C)cc1)[C@@H](CN(C)C)NC(=O)OC(C)(C)C	2044748161	NMCNAELIOGJLEG-SJORKVTESA-N	350.507	2.468	10	10	FECE	
CC(C)(C)OC(=O)N1CCCN(CC(=O)NCCCCN=[N+]=[N-])CC1	2060621368	MVAZRJJNNCGSFB-UHFFFAOYSA-N	354.455	2.136	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2060613175	OMEKQWSPDDPEBG-XQQFMLRXSA-N	353.423	2.312	10	10	FECE	
CCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2060634911	FNGFVGWQGCNNPH-CHWSQXEVSA-N	355.439	2.465	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)c1cnn(C)c1CNC(=O)OC(C)(C)C	2060608543	IOIJCYSSCFGROW-UHFFFAOYSA-N	351.411	2.217	10	10	FECE	
CNC(=O)CN(Cc1ccccc1)c1ccc(CNCCOC)c(C)c1	2095920289	ASPBCZKCTKLTSI-UHFFFAOYSA-N	355.482	2.484	10	10	FECE	
CC(C)(C)OC(=O)Nc1ccc(Cl)cc1COc1nnc(=N)[nH]n1	2216991550	LXBXFYXLVYWHEL-UHFFFAOYSA-N	352.782	2.259	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc3c(c2)COCC3)C[C@@H]1CO	2226714607	ARQMEPUDCPSCPU-AEFFLSMTSA-N	362.470	2.471	10	10	FECE	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc4c(c3)OCO4)C2=O)cc1	6645267	BUBHMAYPIGEYLF-ZSOIEALJSA-N	366.329	2.090	10	10	FECE	
O=C1N=C(O)/C(=C/NCc2ccc3c(c2)OCO3)C(=O)N1Cc1ccco1	102605876	BBOYASSMMCFOSD-JYRVWZFOSA-N	369.333	2.101	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1	177952843	FFESYKUHQKGKKW-ZVDOUQERSA-N	370.541	2.175	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1	182531118	SOBGPHCTYIJGFG-VIFPVBQESA-N	355.316	2.261	10	10	FECE	
CCCN[C@@H]1C(=O)Nc2cc(N3CC[C@H](O)C3)c(Br)cc21	92775784	HJDFGWQHIRCYAV-XPTSAGLGSA-N	354.248	2.013	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N1CC[C@H](CN2CCCC2)C1	255154037	JJUNMFOOIYEPKW-DASIIQCKSA-N	369.509	2.481	10	10	FECE	
CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1cc(F)cc(C(C)=O)c1O	372283225	RSAVAHKPCDZVPO-HUUCEWRRSA-N	353.390	2.276	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnc(OCC4CC4)cn3)CC2)cc1	283786505	DWOHOMOCBGRVKH-UHFFFAOYSA-N	368.437	2.236	10	10	FECE	
CN(C[C@H]1CCCCO1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	823559184	FFWRZBCPMBCCOD-LJQANCHMSA-N	361.486	2.358	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C[C@@H]3CCOC[C@H]3OC)CC2)cc1	823004786	XURQDCOWVIPUQF-HNAYVOBHSA-N	362.470	2.222	10	10	FECE	
CC1(CO)CN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	838498993	FMYBULFWQRSMCW-CYBMUJFWSA-N	369.412	2.281	10	10	FECE	
CCOc1ccc(-n2ncc(C(=O)N(C)Cc3ccccc3O)c2C)nn1	746685976	BASYBNSEDSBIQA-UHFFFAOYSA-N	367.409	2.347	10	10	FECE	
COCC1(CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1	848630015	KRNBNWFTFOTRRG-UHFFFAOYSA-N	373.497	2.178	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)CN1Cc2ccccc2OC1=O	843557962	ICQANLAJRFXOEL-UHFFFAOYSA-N	367.405	2.493	10	10	FECE	
COC1CCN(c2ccc(CN3C[C@H]4COCC[C@]4(C(=O)O)C3)cc2)CC1	846287431	PPSAJABHKIOOMD-UWJYYQICSA-N	374.481	2.225	10	10	FECE	
C[C@](O)(CO)CNCc1ccc(N2CCCCC2)c(Br)c1	842208786	XCPGTXHQEAALJA-MRXNPFEDSA-N	357.292	2.272	10	10	FECE	
Cc1cc(C(=O)NCc2ncc3c(n2)CCOC3)c(C)n1-c1ccccn1	846368234	FLZRFPUXQGHYHS-UHFFFAOYSA-N	363.421	2.282	10	10	FECE	
CC[C@@H]1C(=O)N(Cc2ccc(N3CCN(C)CC3)cc2)C(=O)N1C1CC1	925081399	ZHHGORDCXHBAGT-GOSISDBHSA-N	356.470	2.144	10	10	FECE	
CO[C@@H](CNC(=O)NCc1cccc(Br)c1O)[C@@H]1CCOC1	852437945	KLVRKFABBLZCGN-YPMHNXCESA-N	373.247	2.005	10	10	FECE	
COCc1n[nH]c(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1	850360447	HZMRYLPFGOCFDP-UHFFFAOYSA-N	360.418	2.139	10	10	FECE	
COc1ccc(CNC(=O)NCc2c(C(F)(F)F)cnn2C)c(O)c1	858686363	ORHOALDZKWYDGI-UHFFFAOYSA-N	358.320	2.153	10	10	FECE	
CC(=O)N1CCCc2ccc(S(=O)(=O)N3Cc4cccc(O)c4C3)cc21	867691268	UDYTWTLTOGSMPV-UHFFFAOYSA-N	372.446	2.396	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)c3ccc4c(c3)COB4O)cc2)CC1	863874175	OBPRTBFGBCXVNC-UHFFFAOYSA-N	364.254	2.071	10	10	FECE	
COc1ccnc(OC)c1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	865019402	SLOKFECNOFXMQD-AWEZNQCLSA-N	371.437	2.426	10	10	FECE	
CC(C)[C@@H](C)NC(=O)C1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1	768445271	REYPJGSHOCDLFV-FZKQIMNGSA-N	362.470	2.191	10	10	FECE	
Cc1nc(N)nc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1	865500515	BTIGIVATUVLLGY-UHFFFAOYSA-N	350.373	2.445	10	10	FECE	
COC(=O)[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)Cc1cccc(F)c1	779516541	XXANEIUGXQZQGY-VFADXPBXSA-N	373.380	2.398	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3[C@@H]4CCCO[C@@H]43)cc2F)C[C@@H](C)O1	779858313	YMWWKHPHRZSKCM-UPCNGNSLSA-N	362.445	2.481	10	10	FECE	
COC(=O)[C@@H]1[C@H](CNCc2cc(Br)ccc2O)C1(F)F	894755044	MGYGUBBLMYOHJG-ONGXEEELSA-N	350.159	2.299	10	10	FECE	
CS(=O)(=O)C[C@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1	897835882	KMXXUWSDYXQXBR-JTQLQIEISA-N	369.464	2.209	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2ccccc2O)C[C@@H]2OCC[C@H]21	934936656	WAYXXQPIKVVGGF-YCPHGPKFSA-N	362.426	2.175	10	10	FECE	
CO[C@@H](C(=O)N1CCC[C@H](CN=[N+]=[N-])C1)C1CN(C(=O)OC(C)(C)C)C1	2124532256	JHPBDWOZGWMXTD-TZMCWYRMSA-N	367.450	2.417	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](C(=O)N1CC[C@H](N=[N+]=[N-])C1)C1CCOCC1	2124504777	CZBOIZGOBGTNDR-KBPBESRZSA-N	367.450	2.465	10	10	FECE	
CNS(=O)(=O)C[C@@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1	1331675474	DMSYULUQPAGKMQ-QGZVFWFLSA-N	351.516	2.048	10	10	FECE	
Cc1nc([C@H]2CCCN2C(=O)C(=O)N2Cc3cccc(O)c3C2)cs1	1331970605	ALPVWCWRGMNKGM-OAHLLOKOSA-N	357.435	2.363	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)NC[C@@]3(C)CC3(C)C)C2)cc1	1333881228	MQKMYCHZLXUUOA-QVKFZJNVSA-N	373.497	2.190	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CCN(CC(=O)Nc3ccc(N)cc3)[C@H]2C1	2132354903	SORJVSOMLPECRX-CJNGLKHVSA-N	360.458	2.149	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)N2C[C@@H](CO)[C@@H](CCO)C2)c1C	1348198239	GVEVWTJQEKMIHU-ROUUACIJSA-N	356.466	2.465	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N(C)Cc1cnn(C)c1C	1348297513	AGHNYVAOSKSEPY-UHFFFAOYSA-N	372.469	2.221	10	10	FECE	
CN(Cc1cnn(Cc2ccccc2)c1)c1cc2c(cc1N)OCC(=O)N2	1915034299	YDKBBYPAMUMVEP-UHFFFAOYSA-N	363.421	2.481	10	10	FECE	
CCC[C@H](C)C(=O)NCCn1c(C)nnc1N(C)Cc1ccccc1O	1514281873	JLTCKRMXOCVXEM-AWEZNQCLSA-N	359.474	2.481	10	10	FECE	
COC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(N=NC(N)=O)cc1	1628131020	LEMQRUDRZRFGAI-AWEZNQCLSA-N	362.386	2.033	10	10	FECE	
O=C(CNC(=O)c1ccc(F)c(F)c1)NCc1cc(Cl)ccc1O	1632224248	XVVUSANTYOZKIP-UHFFFAOYSA-N	354.740	2.370	10	10	FECE	
CS(=O)(=O)c1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)s1	1567562206	VTGLLSKCLBZWCN-UHFFFAOYSA-N	366.424	2.244	10	10	FECE	
O=S(=O)(c1ccc(F)cc1)N1CCN(c2ccc3c(c2)OCO3)CC1	166191142	TYJDACFHNWHLBQ-UHFFFAOYSA-N	364.398	2.065	10	10	FECE	
COC(=O)c1ccc(/C=C2/SC(=S)N([C@@H](C)C(=O)OC)C2=O)cc1	6097225	GYDLRHKPTZOFAR-KWINOFQJSA-N	365.432	2.236	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCN(C4CCCCC4)CC3)cc2N1	152427627	GNYOJDCLMWGIMQ-UHFFFAOYSA-N	360.414	2.380	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(Cc2ccc(F)cc2O)C1	1972300411	GYKKRVGNQVDNBM-KGLIPLIRSA-N	368.405	2.474	10	10	FECE	
O=C(N[C@H]1CCN(C(=O)OCc2ccccc2)C1)c1cccc(O)c1O	1982316758	FWUPIOHTNUGQGN-AWEZNQCLSA-N	356.378	2.239	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NC(=O)c1ccn(-c2ccc(N)cc2)n1	2179364305	ZLLCPIBLAYETFE-MLGOLLRUSA-N	371.441	2.098	10	10	FECE	
CC1(C)C[C@@H](S(C)(=O)=O)CN1c1ccc(CN)c(Br)c1	2179920152	ONKSLTVMEHAERS-GFCCVEGCSA-N	361.305	2.310	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(CCNCc2c(O)cccc2F)CC1	2042626800	PSHGUWAOIGVNDT-UHFFFAOYSA-N	353.438	2.174	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060638009	QUWCLNFBSVJHCP-UPJWGTAASA-N	353.423	2.048	10	10	FECE	
CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(CCOc2ccc(N)cc2)C1	2106737544	NVUUPTABBFREQG-RDJZCZTQSA-N	365.474	2.262	10	10	FECE	
Cc1ccc(N2C(=O)NC(=O)C(=CNc3c(C)nn(C)c3C)C2=O)c(C)c1	2313548071	KXSZBJQLJCWAIH-UHFFFAOYSA-N	367.409	2.233	10	10	FECE	
C[C@@H](N[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)c1cc(O)ccc1O	2330887051	BVBVEJAYOHGHIT-BNGXUDDSSA-N	364.442	2.383	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@@](C)(NCc1ccc2c(c1)CCO2)C(=O)O	2351448309	DHLKSFUFTCPJLD-HXPMCKFVSA-N	364.442	2.468	10	10	FECE	
CCNC(=O)N1CC[C@@H](NC(=O)N(CC)Cc2ccc(N(C)C)cc2)C1	120538297	XFINHMFRKSKZHZ-MRXNPFEDSA-N	361.490	2.088	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2C(=O)N1CCc2cc(O)c(O)cc2C1	2366910803	UIHWOQUGRZBIGJ-GRDNDAEWSA-N	374.437	2.238	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)N3CCc4cc(O)c(O)cc4C3)C[C@H]12	2366910478	DDTCRNGSIDJWEM-ARGWCVDVSA-N	374.437	2.286	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2nc[nH]n2)C1	518680398	WLZKZAWYRCURLO-AWEZNQCLSA-N	366.469	2.403	10	10	FECE	
COc1ccc2c(c1)OCCN(c1cc3c(cc1[N+](=O)[O-])OCC(=O)N3)C2	374517470	CYHNUUYXUTUQMM-UHFFFAOYSA-N	371.349	2.333	10	10	FECE	
CCCS(=O)(=O)NC1CCN(Cc2cc(Cl)c(F)cc2O)CC1	294898884	MJDNBKQHKUKSGW-UHFFFAOYSA-N	364.870	2.479	10	10	FECE	
Cn1ccc(-c2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)n[nH]2)c1	816897179	AAKXBOWBOWRDCC-UHFFFAOYSA-N	365.437	2.182	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)NC2(C(=O)N(C)C)CC2)CCCC1	652440319	LTZIOGWUIDWSNP-UHFFFAOYSA-N	369.465	2.266	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)c1cc2n(n1)CCCC2=O	908169915	DNQCJZMCCDGDEZ-UHFFFAOYSA-N	364.199	2.258	10	10	FECE	
NCc1ccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)cc1	830201595	GLWXPGSLSDNEON-UHFFFAOYSA-N	352.438	2.099	10	10	FECE	
CN(C)c1ccc(/C=C\CNc2cnn(CCN3CCOCC3)c2)cc1	835040766	GXMQOFZQMUVJSJ-ARJAWSKDSA-N	355.486	2.407	10	10	FECE	
CCn1ncc(CNCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1	838981673	HHSKLIOGUOPUGA-UHFFFAOYSA-N	354.502	2.120	10	10	FECE	
O=S1(=O)CC[C@@]2(CN(Cc3cc(Cl)cc(Cl)c3O)CCO2)C1	843425967	LSWZIJASFURQBF-CQSZACIVSA-N	366.266	2.089	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@]1(C)CCCS1(=O)=O	910557587	HRWCOVUFWJNXGQ-KBXCAEBGSA-N	352.500	2.076	10	10	FECE	
CCn1nncc1CNCc1ccc(N2CCN(CC3CC3)CC2)cc1	841868018	YOOGGUFCHSJKLJ-UHFFFAOYSA-N	354.502	2.120	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)c1C	848307012	BWQGFCWAFDGDRY-ZWKOTPCHSA-N	353.466	2.294	10	10	FECE	
COCCN(Cc1ccnn1C)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	844212224	SLDNFQDGEANNMK-GQCTYLIASA-N	360.370	2.079	10	10	FECE	
COc1ccc(N2CCCN(C(=O)C(=O)N[C@@H]3CC[C@H]4C[C@H]4C3)CC2)cc1	842518654	SNXGVHSPNMBSRI-YESZJQIVSA-N	371.481	2.039	10	10	FECE	
CCOC(=O)C[C@H](O)COC(=O)Cc1cc(C)n(-c2ccccc2)c1C	859749295	BVNGWXNVTSVYQS-SFHVURJKSA-N	359.422	2.494	10	10	FECE	
CCOC(=O)[C@@]1(F)CN(Cc2cc3c(cc2O)OC[C@@H]3O)CC12CCC2	853523994	JPBNVNMYFQQWBQ-KXBFYZLASA-N	365.401	2.075	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCCC[C@@H]3C(N)=O)C2)cc1	854300018	OEGLPZWNJSDFGI-WBAXXEDZSA-N	374.485	2.007	10	10	FECE	
O=C(NCCCn1ccnn1)N(Cc1ccco1)Cc1ccccc1O	753352313	LNALGVQZOCETEM-UHFFFAOYSA-N	355.398	2.379	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCC3(N(C)C)CCCC3)C2)cc1	852179833	BOAVODKMHHWKRR-MRXNPFEDSA-N	360.502	2.448	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CC(Cc3cnn(C)c3)C2)c([N+](=O)[O-])c1	865957473	CPPQTEOWBTUVCH-XQRVVYSFSA-N	356.382	2.193	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)Cn3nc(CO)ccc3=O)c2C)c1	863480196	MEWRLUZLQBVXOW-UHFFFAOYSA-N	351.406	2.334	10	10	FECE	
O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CC2(CCOCC2)CO1	869041550	ZUHFLAOOPXOXAF-CQSZACIVSA-N	354.834	2.431	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCc3ccnc(F)c3)CC2)c(OC)c1	868958828	KGTITVZHVBATTR-UHFFFAOYSA-N	374.416	2.270	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCCc2cc(F)ccc2F)cc1	785423979	JIPURCCIOLIRSX-UHFFFAOYSA-N	361.392	2.006	10	10	FECE	
Cc1nc(F)ccc1CNCc1ccc(N2CCS(=O)(=O)CC2)cc1	785467010	TVPJKEOEJZWGOO-UHFFFAOYSA-N	363.458	2.054	10	10	FECE	
O=C(NCC[C@H]1CCOC1)NCc1ccc(N2CCC(O)CC2)c(F)c1	784536812	BLLSTXNVQAHXFH-AWEZNQCLSA-N	365.449	2.013	10	10	FECE	
COC(=O)c1c(CN[C@@H](C)CN2CCCC2=O)c2cc(F)ccc2n1C	894196787	CBTFKPJMHOBHNJ-LBPRGKRZSA-N	361.417	2.205	10	10	FECE	
COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)cc1C	797820209	LNFUMOKXXREHDH-UHFFFAOYSA-N	351.380	2.297	10	10	FECE	
COc1cc(C(=O)NCc2c(O)cccc2O)cc(NC(C)=O)c1OC	1156881012	LRWVGYDNNDOQTG-UHFFFAOYSA-N	360.366	2.003	10	10	FECE	
O=Cc1cn(CC(=O)NCCc2ccc(O)c(O)c2)nc1-c1ccccc1	1150487233	BDKSPFMTYBEQRX-UHFFFAOYSA-N	365.389	2.133	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CNC(=O)CCOc1ccc(N)cc1	2117649373	YCKGSBUPHLZYCE-ZIAGYGMSSA-N	363.458	2.315	10	10	FECE	
COc1ccc(N2CCO[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)c(N)c1	2129067879	NFKWGNXPGJAEBW-IAGOWNOFSA-N	363.458	2.492	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@H](NCc3ccc4c(c3)CCO4)CO[C@H]2C1	2121660207	BUJMIWORGFOOHN-JZXOWHBKSA-N	360.454	2.345	10	10	FECE	
COC(=O)C[C@@](C)(NCc1ccc(N2CCOCC2)cc1)c1ccccn1	1335828857	BOXRKIGFKRXRDY-OAQYLSRUSA-N	369.465	2.486	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1CC(=O)NCc1ccccc1O	2124257565	UXCIIMAJXDYLRS-GJZGRUSLSA-N	364.442	2.328	10	10	FECE	
O=C(CCNC(=O)c1cc2ccccc2[nH]1)NCc1ccc(O)c(O)c1	1545639305	JWVKBMBQFAQOBV-UHFFFAOYSA-N	353.378	2.015	10	10	FECE	
CCOC(=O)COCCNC(=O)N(C)Cc1ccc(N2CCCC2)cc1	1470210036	NWJVXYSQVWXAES-UHFFFAOYSA-N	363.458	2.008	10	10	FECE	
Cc1nnnn1-c1ccc(C(=O)Nc2c(Cl)ccc3nonc23)cc1	1543806509	ZOIXXSDROURWFN-UHFFFAOYSA-N	355.745	2.413	10	10	FECE	
CCc1nnc(N2CCNC(=O)CC2)n1Cc1ccc(N(CC)CC)cc1	1546545968	OUUCWOIZTOSEDI-UHFFFAOYSA-N	370.501	2.061	10	10	FECE	
C[C@@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)[C@@H]1C[C@H]1C1CC1	1487813133	KRBPEVLRKYGGAJ-KNXALSJPSA-N	371.441	2.472	10	10	FECE	
COC(=O)c1ccc(NC(=O)/C(=C\C2=S=CC=C2)NC(C)=O)c(C)c1	1627346865	QYZPANIQZNAUKP-MHWRWJLKSA-N	358.419	2.018	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc2cnccc2[nH]1	1638534384	QTZZTRLPIUMRNJ-UHFFFAOYSA-N	353.378	2.474	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)c2cnc(C3CC3)nc2N)N(C)C)cc1	1653421773	QFKSMZQVCALCQD-QGZVFWFLSA-N	368.485	2.035	10	10	FECE	
Cc1cccc(-c2nnc(S)n2CC(=O)NCc2c(O)cccc2O)c1	1652622663	DOIQAEZGFWHGBI-UHFFFAOYSA-N	370.434	2.270	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cc[nH]c1[C@H]1CCCNC1	169789192	UBLFZFPCYPCYFA-KRWDZBQOSA-N	368.481	2.248	10	10	FECE	
CN1N=C(C(F)(F)F)/C(=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)C1=O	1865679671	ZGZAOGYVBJZPPV-YWEYNIOJSA-N	357.244	2.140	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCNC2)N2CCCCC2)cc1	1865975748	LWXJNRPSYSVFNI-ICSRJNTNSA-N	358.530	2.395	10	10	FECE	
COc1ccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)C(C)=O)cc1OC	1951485388	CSIIAUVUTGUGCZ-CYBMUJFWSA-N	351.399	2.298	10	10	FECE	
C[C@H](NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C)c1ccc(O)cc1O	394426006	RHRCTRQOACBQAY-KBPBESRZSA-N	365.474	2.300	10	10	FECE	
CN(C)c1ccc([C@@H](N)c2cn(C)nc2I)cc1	2044751843	FWRXWZBBORHCCV-GFCCVEGCSA-N	356.211	2.139	10	10	FECE	
CN1CCc2cc([C@@](C)(O)COCCNC(=O)OC(C)(C)C)ccc21	2044715845	WXPQNRSGDYJLKB-IBGZPJMESA-N	350.459	2.428	10	10	FECE	
C[C@H]1COC[C@H](C(=O)N2CCC(N=[N+]=[N-])CC2)N1C(=O)OC(C)(C)C	2060621168	KQOLLNGDGXAJNI-WCQYABFASA-N	353.423	2.312	10	10	FECE	
COC[C@@](C)(CC(=O)N1CC[C@H](CN=[N+]=[N-])C1)NC(=O)OC(C)(C)C	2060638833	BFZVMWCOCMRDDT-MLGOLLRUSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](O)(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C1	2063392430	YBQRZBOAGSBYLM-WBMJQRKESA-N	353.423	2.050	10	10	FECE	
C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)[C@H](C)[C@@H]1NC(=O)C(F)(F)F	2106694506	IHLJOONZSOIXTA-UEKVPHQBSA-N	357.376	2.115	10	10	FECE	
CN1CCc2cc([C@H](N)[C@@H]3CN(C(=O)OC(C)(C)C)CCN3C)ccc21	2106860864	VCHPJCDXQHXAJQ-ROUUACIJSA-N	360.502	2.230	10	10	FECE	
CSc1ncc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cn1	2297346921	NBOATYYKPNOAGH-UHFFFAOYSA-N	358.354	2.004	10	10	FECE	
Cc1cc(C=CC(=O)N[C@@H]2CCN(C(N)=O)C2)c(C)n1-c1ccccc1	2297574101	GGLUPTGHQPXERK-QGZVFWFLSA-N	352.438	2.377	10	10	FECE	
C[C@@H](N[C@@H]1COCC[C@@H]1NC(=O)OC(C)(C)C)c1c(O)cccc1O	2308243526	VNVKQKBWPOXYLX-FRRDWIJNSA-N	352.431	2.431	10	10	FECE	
CN(Cc1ccccc1O)C(=O)CCN(CCCO)C(=O)OC(C)(C)C	2342637688	SEIINTQFQINXGY-UHFFFAOYSA-N	366.458	2.360	10	10	FECE	
COC(=O)CCCCCNC(=O)NCc1ccc(N2CCOCC2)cc1	54787177	VJEHHNWBLHKENW-UHFFFAOYSA-N	363.458	2.056	10	10	FECE	
Cc1cc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)c(C)n1-c1ccccn1	111079841	FQZXXPFPYOAAJZ-QGZVFWFLSA-N	365.437	2.227	10	10	FECE	
COc1cc(N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc(OC)c1OC	125794609	GZARFFNNURVFLG-LLVKDONJSA-N	362.348	2.312	10	10	FECE	
COc1ccc(N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C2CC2)cc1	245436367	DGXWMOWBTRFKCI-DYVFJYSZSA-N	360.414	2.466	10	10	FECE	
CC(=O)C(=O)COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1C	808524992	NVMYJPFRBAUSLS-UHFFFAOYSA-N	365.341	2.111	10	10	FECE	
Cc1nn(C)c(C(=O)NCc2cc(Br)ccc2O)c1[N+](=O)[O-]	804739222	BJMSVXHQEFFTES-UHFFFAOYSA-N	369.175	2.035	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@H](NCc1cc(OC)c(OC)cc1O)C2	822534665	SGQGZTGQFHOSGU-YUTCNCBUSA-N	350.415	2.118	10	10	FECE	
CO[C@H](CS(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CCOCC1	827473653	KTJUZHDTNJFJLH-RDTXWAMCSA-N	370.515	2.175	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F	901055233	KRXOJKRZLKAGRS-DOTOQJQBSA-N	369.339	2.162	10	10	FECE	
CC1(C)CCC[C@H](CS(=O)(=O)NNc2nc3cccnc3s2)O1	901676543	COOWCZUWJZSKLC-SNVBAGLBSA-N	356.473	2.285	10	10	FECE	
Cn1cc(C(=O)N2CC[C@@H](C(N)=O)c3ccccc32)c(-c2cccnc2)n1	677642853	LGOZMWVNQJEICQ-OAHLLOKOSA-N	361.405	2.102	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CCc4cc(F)c(F)cc43)nc12	917115205	ZEIYKIPMYKDWPN-UHFFFAOYSA-N	374.347	2.453	10	10	FECE	
C[C@]1(CCF)NC(=O)N(Cc2ccc(N3CCSCC3)cc2)C1=O	849351997	PATXDSZFVPBJSV-QGZVFWFLSA-N	351.447	2.410	10	10	FECE	
CO[C@H](CS(=O)(=O)Nc1cc(Cl)c(O)cc1F)C1CCOCC1	842586277	OXSQAHMWESIZEF-CQSZACIVSA-N	367.826	2.368	10	10	FECE	
C[C@@H](NC(=O)NCc1ncc2c(n1)CCOC2)c1ccc(N(C)C)cc1	845124575	HSMLDJYKRBTBFT-CYBMUJFWSA-N	355.442	2.176	10	10	FECE	
C[C@@]1(CNC(=O)C(=O)Nc2ccc(N)cc2)CCCN1Cc1ccccc1	841096224	UJQSJDFBNAFCOV-NRFANRHFSA-N	366.465	2.378	10	10	FECE	
C[C@H](NCC[C@@]1(O)CCOC1)c1ccc(N2CCOCC2)cc1Cl	846193440	IUKHTPMDUCZFRC-KBXCAEBGSA-N	354.878	2.369	10	10	FECE	
CCN(CC)c1ccc(CNS(=O)(=O)C[C@H](OC)[C@H]2CCOC2)cc1	849370637	IWKVUMDQQQOREL-WMZOPIPTSA-N	370.515	2.004	10	10	FECE	
C[C@@H](NCC[C@H]1CNC(=O)C1)c1ccc(N2CCOCC2)cc1Cl	926984798	HXKUBCPAOJOSGE-ZIAGYGMSSA-N	351.878	2.353	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccnn3CC(F)F)C2)cc1	855224747	KXDDALWEQPUUPT-GFCCVEGCSA-N	350.369	2.166	10	10	FECE	
O=C(C[C@@H]1NCc2ccccc21)NCc1ccc(N2CCC(O)CC2)cc1	852868780	NOMIZCWVOGRTJB-NRFANRHFSA-N	365.477	2.499	10	10	FECE	
COC(=O)c1cc(CN[C@H]2CCN(c3ccc(OC)cc3)C2)n(C)c1C	850346078	BYNNMDCOKVEWNK-HNNXBMFYSA-N	357.454	2.497	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1C[C@H]2CCCC[C@@H]2N1	852916449	JDLUREMYXVHOKH-UXPWSPDFSA-N	357.498	2.185	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)[C@H]1COC(C)(C)C1	859191738	CTJBSLBDHFZTKU-RHSMWYFYSA-N	354.516	2.479	10	10	FECE	
CCOC(=O)N1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CC1	931264611	ILTVBDWJYIOYQS-ALCCZGGFSA-N	363.370	2.060	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccn(C2CC2)c1=O	864634083	HRPFVPXWPXUMBB-UHFFFAOYSA-N	367.449	2.292	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)c3cc(C)ns3)C2)cc1	867496574	FQOMTXGUHZLPQY-LBPRGKRZSA-N	353.469	2.017	10	10	FECE	
O=C1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCN1C1CC1	769425195	FKWDDWYCAXKGSJ-UHFFFAOYSA-N	358.442	2.392	10	10	FECE	
C[C@@H](NC[C@]12COCCN1C(=O)OC2)c1cc(Br)ccc1O	866519451	BGMXVKPVERHKNR-MEBBXXQBSA-N	371.231	2.027	10	10	FECE	
Cc1cc(C(=O)N2CCN3C(=O)OCC[C@H]3C2)c(C)n1-c1ccccn1	764256171	QNYFWOQTYXTBHB-HNNXBMFYSA-N	354.410	2.156	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CC[C@H](C)[S@](=O)CC2)c([N+](=O)[O-])c1	885807426	MXAPSEHZAQSUQD-BKQLANBOSA-N	352.412	2.128	10	10	FECE	
CN1CN(Cc2cc(Br)cc(Br)c2O)CC1=O	782149982	LBEYTPNLAZOYSE-UHFFFAOYSA-N	364.037	2.149	10	10	FECE	
C[C@H](NC(=O)Nc1nccc(N(C)C)n1)c1ccc(N2CCOCC2)cc1	797641035	GNKJIDSCYUBHTH-AWEZNQCLSA-N	370.457	2.262	10	10	FECE	
O=C(CCCOc1ccc2c(c1)NC(=O)CC2)NCc1cc(O)ccc1O	1303226152	YGNVYTCEHWYYKR-UHFFFAOYSA-N	370.405	2.458	10	10	FECE	
Cc1cc(C(=O)N2CCN(C)C[C@@H]2CO)c(C)n1-c1ccc(Cl)cc1	1301605535	PXIMJVVSGLEULP-QGZVFWFLSA-N	361.873	2.496	10	10	FECE	
C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1cccc(O)c1O	2118175604	JHGHBQVGQDCAIE-MBNYWOFBSA-N	362.426	2.425	10	10	FECE	
CN(C)c1ccc(CN[C@@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)cc1	2121660677	COJNAAGTXCSQSU-RCCFBDPRSA-N	361.486	2.477	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)c3cnn4c3NC[C@@H](C)C4)C2)cc1	1352303765	TYGPKRXWPBRXBL-CABCVRRESA-N	369.469	2.210	10	10	FECE	
CCn1c(S)nnc1CCNC(=O)c1cc2cc(O)c(O)cc2s1	1444019800	PPAKFWCPGHKGAM-UHFFFAOYSA-N	364.452	2.185	10	10	FECE	
COCCNC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1	3056065	BCRIBTAEVVMBPZ-CYVLTUHYSA-N	367.449	2.286	10	10	FECE	
C[C@H]1CN(c2ccc(C(=O)NCc3cccc(O)c3O)cn2)C[C@H](C)O1	1528771781	YDQQMIBKRMSPIQ-STQMWFEESA-N	357.410	2.036	10	10	FECE	
O=C(CN1CCCC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	1465532418	BXXCRFBPHVRZSQ-CQSZACIVSA-N	353.413	2.469	10	10	FECE	
COCC1(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCC1	1469938724	WHPXESMTOYZRSQ-SFHVURJKSA-N	362.518	2.471	10	10	FECE	
COc1ccc(CNC[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)c(O)c1	2136618202	UMZOVJNVELWOGN-IBGZPJMESA-N	366.458	2.252	10	10	FECE	
CNc1nc(C)ccc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1	1471566255	ZSZZWQIBYUDBBH-UHFFFAOYSA-N	353.470	2.114	10	10	FECE	
CCC[C@@H](O)[C@@H](CO)NC(=O)NCCc1cc(C)n(-c2ccccc2)c1C	1637410730	RQRWQSODLNLNQI-WOJBJXKFSA-N	373.497	2.458	10	10	FECE	
O=C(CCCCN1C(=O)c2ccccc2C1=O)NCc1ccc(O)cc1O	1639444741	XZMCJBUEUCQGAJ-UHFFFAOYSA-N	368.389	2.181	10	10	FECE	
CN(C)S(=O)(=O)c1ccc(C(=O)NCc2c(O)ccc3ccccc23)o1	1639383954	CTWGQNZNFPQWPI-UHFFFAOYSA-N	374.418	2.319	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)N3CC(=O)N[C@@H](C)C3)c2C)c1	1565193457	YYDCRHZNURSTJV-AWEZNQCLSA-N	354.454	2.432	10	10	FECE	
CCN[C@H](c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)c1ccccc1O	2146241498	POMKHDKZCHUTGY-KRWDZBQOSA-N	373.457	2.474	10	10	FECE	
CCN[C@@H](C)c1ccc(N2CC(S(C)(=O)=O)C2)c(Br)c1	2152286386	YMSWTSDLACKHST-JTQLQIEISA-N	361.305	2.353	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCc1ccc(O)cc1O	2030121582	BNTVFIWEONOVAT-GDBMZVCRSA-N	352.431	2.212	10	10	FECE	
O=C1C(=Cc2ccc(F)cc2F)SC(=S)N1CCN1CCOCC1	2040496901	XAVLELMJRGZYHD-UHFFFAOYSA-N	370.446	2.498	10	10	FECE	
Nc1ccc(O)c(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)c1	404177329	IBYUOPSZOTWJAG-CTNGQTDRSA-N	353.466	2.450	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)NCCc2ccc(O)c(O)c2)C1	860235677	WSHFNBRQYPWNFS-AWEZNQCLSA-N	362.426	2.370	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](NC(=O)Cc1ccc(N)cc1)C(F)(F)F	2044203215	WNYBTVJIGPTRJR-LBPRGKRZSA-N	361.364	2.383	10	10	FECE	
CN(C)c1ccc([C@@H](N)c2nn(C)cc2I)cc1	2057534083	BFXRZXUJPCLQPV-GFCCVEGCSA-N	356.211	2.139	10	10	FECE	
Nc1ccc(OCC(=O)N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)cc1	2104388768	UOVSGBMYWYZIKE-HKUYNNGSSA-N	351.450	2.381	10	10	FECE	
C[C@H](CCS(C)(=O)=O)N(C)Cc1cccc(Br)c1O	2104456537	QFNVDHCESMAVCX-SNVBAGLBSA-N	350.278	2.410	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)COc2ccc(N)cc2)[C@@H](F)C1	2106228158	HOOUERYLUDLLDF-GJZGRUSLSA-N	367.421	2.111	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])C1	2218746512	XJAFGKWNHPOQNA-OZVIIMIRSA-N	353.423	2.096	10	10	FECE	
CC(C)(C)OC(=O)NCCOCCOCC[C@@H](N)c1ccccc1O	2256283883	WGIIGEMVKYDNCX-OAHLLOKOSA-N	354.447	2.340	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CO1	2264798436	IAJFXSSARWIGKN-MCIONIFRSA-N	367.450	2.465	10	10	FECE	
CN(CC1CC(S(C)(=O)=O)C1)c1ccc(CO)cc1Br	2285293464	QDFQLFZGUQFJCG-UHFFFAOYSA-N	362.289	2.201	10	10	FECE	
CO[C@@H]1C(=O)N(C(C)C)[C@H]1C1CCN(Cc2cccc(F)c2O)CC1	2297646945	YXWOOGNKCXRXNW-WMZOPIPTSA-N	350.434	2.378	10	10	FECE	
Cc1cccc(CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1O	179562653	PGPFTFSPRCYNKZ-UHFFFAOYSA-N	364.442	2.346	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCC([C@@H](F)C(N)=O)CC2)cc1	1350851037	UWHGSJLYBXITSH-QGZVFWFLSA-N	364.465	2.278	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N2C[C@H](C)Oc3c(F)cccc32)c1	185587402	UGAAQYCXAXSDEH-SYTKJHMZSA-N	355.369	2.408	10	10	FECE	
CC(=O)N(C(=S)NC[C@H]1COc2ccccc2O1)c1ccc(N)cc1	243698405	PLDXUQXUBBNVLL-HNNXBMFYSA-N	357.435	2.336	10	10	FECE	
COCCOCc1noc(-c2ccc(NC(=O)C3=S=CC=C3)c(C)c2)n1	546472369	GBEQRXMDEAPDHY-UHFFFAOYSA-N	373.434	2.424	10	10	FECE	
Cc1n[nH]cc1C1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1	376471472	DQZMQDRRDXJSKY-UHFFFAOYSA-N	357.370	2.341	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCc3ccccc3C2)cc1	283904952	KYAXERDJLNDTIR-SFHVURJKSA-N	351.450	2.043	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1	716978681	HZJUGUUAEKDIAG-XNJGSVPQSA-N	366.458	2.279	10	10	FECE	
COc1ccc(N2CC[C@@H](CNc3ncc([N+](=O)[O-])cc3C(N)=O)C2)cc1	819936754	WRBUWBNUDFHOIB-LBPRGKRZSA-N	371.397	2.036	10	10	FECE	
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1O	830526207	FSMAGQIQHIKQLN-AWEZNQCLSA-N	352.431	2.327	10	10	FECE	
Cc1cc(CC(=O)NCC2(S(C)(=O)=O)CC2)c(C)n1-c1ccccc1	834805005	YFWYNMRPHAUJHO-UHFFFAOYSA-N	360.479	2.330	10	10	FECE	
CN(C)c1ccc(/C=C/CNCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1	835042171	HBCFSWYTRBWARH-QKFKOWKFSA-N	365.477	2.163	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1	838479194	OKMYZVFIHSCLKD-BHIYHBOVSA-N	361.486	2.132	10	10	FECE	
Cn1nccc1[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)OC(C)(C)C	844099240	JRAGFEXSMAUSEJ-QLBOMPFWSA-N	373.409	2.044	10	10	FECE	
COC(=O)CN(Cc1cnn(CCF)c1)Cc1cc(Cl)ccc1O	929970938	GMKDNJRTCHFYKR-UHFFFAOYSA-N	355.797	2.387	10	10	FECE	
COc1ccc(CNC(=O)N[C@@H]2CNCC[C@@H]2c2ccccc2)c(O)c1	851671198	HUJDFQDMVPNJIS-QZTJIDSGSA-N	355.438	2.346	10	10	FECE	
COc1ccc(N(C)C[C@H](O)COc2ccc3c(c2)OCO3)c(OC)c1	752126323	PUUKMFTVHVKLGG-ZDUSSCGKSA-N	361.394	2.309	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CC[C@@H](CN3CCCC3=O)C2)c([N+](=O)[O-])c1	853946156	ORFPYSDPONYFOR-KEDPEKRHSA-N	373.409	2.230	10	10	FECE	
COC(=O)[C@@H]1C[C@@H]1[C@H](C)NCc1cc(F)c(N2CCOCC2)c(F)c1	850322798	IJSZVFLYBBXYJI-IACUBPJLSA-N	354.397	2.089	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CN(C)C(=O)[C@@H]2C)cc1	862116283	MLGMQNFZEPKVDS-HNNXBMFYSA-N	353.422	2.096	10	10	FECE	
CC[C@H](OC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2)C(N)=O	769665621	VXRKCZDYLLOEMM-SFHVURJKSA-N	357.454	2.215	10	10	FECE	
O=C([C@@H]1CCCN1C(=O)c1ccccc1O)N1Cc2cccc(O)c2C1	871204478	LCBBXJVGRNADRO-INIZCTEOSA-N	352.390	2.245	10	10	FECE	
CN1CCc2[nH]c3ccc(C(=O)NCc4c(O)cccc4O)cc3c2C1	1178910164	ATKPKYXXPURMDH-UHFFFAOYSA-N	351.406	2.497	10	10	FECE	
CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1ccccc1O	2124164898	CQJBMOFZFAYDSS-GOEBONIOSA-N	364.442	2.280	10	10	FECE	
COC(=O)C[C@](C)(NCc1ccc(N2CCOCC2)cc1)c1ccccn1	1335828855	BOXRKIGFKRXRDY-NRFANRHFSA-N	369.465	2.486	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)NCC3(C4CC4)CCC3)C2)cc1	1261712479	SIDGFDPSTSZTMK-MRXNPFEDSA-N	371.481	2.087	10	10	FECE	
C[C@@H]1CNc2c(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)cnn2C1	1522410639	GQCCLVAQAFORIR-RDTXWAMCSA-N	370.501	2.043	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)NCCNc2ccccn2)N(C)C)cc1	1479535527	ULTXSYHNJVNPEA-GOSISDBHSA-N	370.501	2.162	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CCCC[C@@H]3[C@H]3CCCO3)nc12	1473885833	XQBFPJIMGWKYOU-HZPDHXFCSA-N	374.441	2.145	10	10	FECE	
O=C(C[C@@H](c1ccccc1)N1CCOC1=O)NCc1cc(O)ccc1O	1633595218	MPTDVAFHTTZADW-INIZCTEOSA-N	356.378	2.298	10	10	FECE	
c1cc(N2CCCCC2)ccc1CN[C@H]1CCN(CCN2CCOCC2)C1	1649305099	GPRYZWKSUCJMJS-NRFANRHFSA-N	372.557	2.173	10	10	FECE	
CC[C@@H]1C[C@H]1C(=O)NCCN(CC)C(=O)c1ccc(N=NC(N)=O)cc1	1759028363	LODZGFYGKRWHOI-IUODEOHRSA-N	359.430	2.473	10	10	FECE	
COc1ccc2occ(/C=C3\C(=O)NN(c4ccccc4)C3=O)c(=O)c2c1	2362524	VHYOMIVRKPJQAC-CXUHLZMHSA-N	362.341	2.263	10	10	FECE	
Cc1ccc(O)c(CNCCC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)c1	1860713729	PGGNXGJTULRSHN-UHFFFAOYSA-N	369.421	2.174	10	10	FECE	
C[C@H](O)[C@H](C)OC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4C)C[C@@H]2N(C)C1	253635450	YLCYDARNSJPGCV-MFJBRZSQSA-N	356.466	2.451	10	10	FECE	in-vitro
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(Cc2ccc(F)cc2O)C1	1972300612	GYKKRVGNQVDNBM-UONOGXRCSA-N	368.405	2.474	10	10	FECE	
CC(C)(C)OC(=O)N1CCSC[C@@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2010405306	HNARMNDSVNHRHU-VXGBXAGGSA-N	355.464	2.498	10	10	FECE	
Nc1ccc(CCC(=O)NC[C@@]2(O)CCCN(Cc3ccccc3)C2)cc1	2157522737	LJTCWZKREZGNFQ-QFIPXVFZSA-N	367.493	2.345	10	10	FECE	
O=C1Nc2cc(N3CC4(CN(Cc5ccccc5)C4)C3)c(F)cc2[C@H]1O	706217916	LLMRVYKQGHCUCN-GOSISDBHSA-N	353.397	2.133	10	10	FECE	
C[C@@H](NCC1(O)CC(NC(=O)OC(C)(C)C)C1)c1cc(O)ccc1O	2045141638	ZFCBADJGGBJQCT-VQQRXRCHSA-N	352.431	2.167	10	10	FECE	
CO[C@H]1C[C@H](C(=O)N2CCC[C@H](N=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060615747	RWTPECYGXDWXKT-RWMBFGLXSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](O)(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2063391539	RBXIUNLOFIOUIR-WBMJQRKESA-N	353.423	2.050	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NCc2ccc(F)cc2O)C1	2084176499	QYLKVNFKFXQBRZ-UKRRQHHQSA-N	354.422	2.239	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](O)(CCNCc2cc(F)ccc2O)C1	2208898543	FWJLXQSQUVEIDX-SFHVURJKSA-N	354.422	2.383	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(c1cc3c(cc1N)OCCO3)C2	2272654156	AZJYWKPJKPWGRX-BUXKBTBVSA-N	361.442	2.391	10	10	FECE	
CCCN1CCCN(c2ccc(C=CC(=O)OC)cc2[N+](=O)[O-])CC1=O	2311274089	JKNWIUWFDGXMQM-UHFFFAOYSA-N	361.398	2.230	10	10	FECE	
CCN(CC)CCN/C=C1\C(=O)N=C(S)N(c2ccc(C)cc2C)C1=O	102552040	PUBOAERTOHAUHL-NTCAYCPXSA-N	374.510	2.278	10	10	FECE	
CCCN1CCC(CNC(=O)NCc2ccc(N3CCOCC3)cc2)CC1	101991162	CYBOGCVKGGBHPI-UHFFFAOYSA-N	374.529	2.444	10	10	FECE	
CCN1CCN(c2ccc(C(=O)NCc3cc(OC)ccc3O)cc2)CC1	173579301	FMEJMQMSAMBJST-UHFFFAOYSA-N	369.465	2.473	10	10	FECE	
CN(C)c1ccc(CNC(=O)NCc2ccccc2OCCO)cc1F	119884586	HERCWJCHTJXLOF-UHFFFAOYSA-N	361.417	2.262	10	10	FECE	
C[C@@H](NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1)c1cc(F)ccc1O	185294611	XWJGGFOTXYRNRR-NSPYISDASA-N	357.385	2.437	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cccc(C(=O)N(C)C)c3)CC2)cc1	75468590	BWXAXXWGKMKRMV-UHFFFAOYSA-N	367.449	2.359	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)CC[C@@H]3CCCOC3)cc2)CC1	190571591	QVKCCBLATFTAKG-IBGZPJMESA-N	373.497	2.178	10	10	FECE	
CCOCCCN1CC[C@@H](NC(=O)c2ccc(C)c(O)c2O)[C@@H](C)C1	245594525	IAKXLEZDMKQBFD-GOEBONIOSA-N	350.459	2.273	10	10	FECE	
Cc1ccc(CNC(=O)[C@@H](N)CC(F)(F)F)c(O)c1Br	2380747756	XHGAAPHUMBIROT-QMMMGPOBSA-N	355.154	2.359	10	10	FECE	
C[C@@H](NC(=O)[C@H]1CCCC12OCCO2)c1ccc(N2CCOCC2)cc1	806614183	MJWZJRPHHCFCMK-CRAIPNDOSA-N	360.454	2.244	10	10	FECE	
CC(=O)C(=O)COC(=O)c1cc(O)nc2c(Br)cccc12	808525203	VXZKMZIBQJPARH-UHFFFAOYSA-N	352.140	2.018	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)Nc3ccc(=O)n(C)c3)C2)cc1	818090712	HJBKPBMCMQKNLM-AWEZNQCLSA-N	356.426	2.042	10	10	FECE	
CCOc1cccc(CN2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c1O	826894777	WNTDTBDVNFGBPU-AAEUAGOBSA-N	367.389	2.198	10	10	FECE	
COC(=O)[C@@]1(C)CCCN1C(=O)/C=C\c1ccc(N2CCOCC2)cc1	588526262	WFFFZFUKDXPNHP-QKWWCAPFSA-N	358.438	2.091	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=N)N3CCO[C@H](C)C3)cc2F)C[C@H](C)O1	849095508	ASOGTXLROQFQDT-ILXRZTDVSA-N	364.465	2.184	10	10	FECE	
COC(=O)CC(C)(C)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	923181701	ARIDTSWUESNHPV-AWEZNQCLSA-N	363.458	2.162	10	10	FECE	
CCN1CCC[C@H]1CNC(=N)NCc1cc(Br)ccc1O	849051729	GXTRETLXAKYPNN-ZDUSSCGKSA-N	355.280	2.253	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@@H](O)C(F)(F)C1	853436385	VPENIVGDDQLFFT-OAHLLOKOSA-N	371.453	2.151	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCCC[C@H]2CNC(C)=O)c([N+](=O)[O-])c1	858863971	RFCABFXTHCHOEG-VIHMKRCTSA-N	361.398	2.276	10	10	FECE	
COC(=O)c1oc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1C	858201844	WSSFFYDRAADACK-UHFFFAOYSA-N	372.421	2.483	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H](NC(C)=O)C3CCCC3)C2)cc1	855230390	VXKSZMRLWYTMEL-QFBILLFUSA-N	359.470	2.085	10	10	FECE	
c1cc(N2CCOCC2)ccc1CN1CCC[C@@H](NC2CCOCC2)C1	931649870	DQABWHBIQSTQFA-HXUWFJFHSA-N	359.514	2.256	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3[C@@H]2CCCN3CCO)c1O	934263219	NLPNIFNBJPDYFA-DLBZAZTESA-N	352.862	2.279	10	10	FECE	
C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccncc1	1119129977	GDVZSLYQQXIVNZ-INIZCTEOSA-N	366.465	2.218	10	10	FECE	
COc1ccc(N2CCN(CCNCc3ccc(OC)nc3)CC2)cc1	780517199	DBGHOOUFSWYVTE-UHFFFAOYSA-N	356.470	2.011	10	10	FECE	
CC(C(=O)NCCc1ccc(O)c(O)c1)=C1CN(C(=O)OC(C)(C)C)C1	2124318913	ZNWKZGBJSMBDEB-UHFFFAOYSA-N	362.426	2.324	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCC[C@H](N=[N+]=[N-])C1)[C@H]1CCOC1	2124506594	ZGRZYQPMUDBSKH-IHRRRGAJSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1CCCN(CC(=O)N2CCC[C@H]2CN=[N+]=[N-])CC1	2124515615	MNRFHQLHIMXRLT-AWEZNQCLSA-N	366.466	2.231	10	10	FECE	
C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)NCc3cc(O)ccc3O)c2N1	1471662043	LUURMPJCSKNCAH-PRHODGIISA-N	352.341	2.235	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)c2cc3c(cc2O)OCO3)N(C)C)cc1	1472281495	XUKNKXWEADIXHP-INIZCTEOSA-N	371.437	2.220	10	10	FECE	
CC[S@](=O)CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1O	1710912405	RJAQPZKQRBJQAN-SANMLTNESA-N	373.482	2.384	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H](c1cncn1C)N(C)C	1624626991	ZWDUDOZPDYLITP-LJQANCHMSA-N	355.486	2.282	10	10	FECE	
COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1	1632077529	CMLVRWNAXTYGMS-IAGOWNOFSA-N	370.449	2.399	10	10	FECE	
Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccc(O)cc2O)c1	1557084964	VYTGYMZLDXXJMM-QGZVFWFLSA-N	354.406	2.327	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1	1633599196	RKOREAFYHPFNPY-OAHLLOKOSA-N	370.405	2.373	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@]3(c4ccccc4)C[C@H](O)C3)CC2)cc1	1631277667	WLYNGVDQGSRMPY-IQGASKDCSA-N	366.461	2.437	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNC(=O)c3ccc(O)c(O)c3)[C@@H]2C1	2138561999	WFMPVMSRACPWGM-HZSPNIEDSA-N	362.426	2.331	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCc1c(O)ccc2ccccc12	1597742825	PLNUDCLPQFREHV-AWEZNQCLSA-N	374.437	2.437	10	10	FECE	
CON(C)c1nnc([C@H]2CCCO2)n1Cc1ccc(N2CCOCC2)cc1	1771320860	FUJVUROEQIFSPA-QGZVFWFLSA-N	373.457	2.012	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)N2CC([C@H]3CCOC3)C2)N(C)C)cc1	899101126	FFUPJEJRRPHWEY-LPHOPBHVSA-N	360.502	2.033	10	10	FECE	
CN(c1cc(Br)c(CN)cc1F)C1CCS(=O)(=O)CC1	694203145	ATRHXZKLNUKJPQ-UHFFFAOYSA-N	365.268	2.060	10	10	FECE	
CN(Cc1ccccc1O)C(=O)c1cn(C)c(CNC(=O)OC(C)(C)C)n1	2180850144	LGPKLNZBBVTHCR-UHFFFAOYSA-N	374.441	2.423	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NC(=O)Cc2ccc(N)cc2)C1	2044644437	OXTZEAPVDVMCGA-SXBQZSJRSA-N	367.471	2.103	10	10	FECE	
COc1ccc(N(C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)c(N)c1	2044751063	WKTLNEDDNPFLDO-CYBMUJFWSA-N	351.447	2.350	10	10	FECE	
CC[C@](NC(=O)OC(C)(C)C)(C(=O)C(=O)C[C@H]1C[C@H](N)C1)C(F)(F)F	2049781097	QJXGHVWPBDHKSL-YHAQOWFVSA-N	366.380	2.488	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]1(F)CC[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1	2049783025	QALVOASZCOXBIR-PAKFGRKTSA-N	356.438	2.285	10	10	FECE	
CC(C)(C)OC(=O)NCC[C@H](F)C(=O)NCCc1ccc(O)c(O)c1	2060355630	RFTFCBWJSRKXAB-LBPRGKRZSA-N	356.394	2.009	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COCC[C@@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060633947	UAOGTBMIGPUHGE-AVGNSLFASA-N	353.423	2.218	10	10	FECE	
CCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(O)c(O)c(O)c1	2068617242	HSTVLJFRNRIMOD-NSHDSACASA-N	354.403	2.227	10	10	FECE	
CC(CO)(CO)CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21	2106605169	JUWXYHYSJCJNRZ-UHFFFAOYSA-N	364.486	2.455	10	10	FECE	
CCN(CC(=O)N(C)c1ccc(N)cc1)C[C@@H](C)NC(=O)OC(C)(C)C	2106760481	PHKCSRGJDCQXBS-CQSZACIVSA-N	364.490	2.467	10	10	FECE	
Cn1cc(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])nc1CNC(=O)OC(C)(C)C	2225793517	XRKFKIMCEPWKKM-WDEREUQCSA-N	363.422	2.406	10	10	FECE	
CC(C)(C)OC(=O)N1CCOCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-]	2257620464	HKRKJYWFPGNKAB-RWMBFGLXSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]12C[C@H]1CN(C(=O)COc1ccc(N)cc1)C2	2272636397	KYXRBPGAMNPWFW-ORAYPTAESA-N	361.442	2.021	10	10	FECE	
CCCCN1C(=O)C(=CNCCc2c[nH]c3ccccc23)C(=O)NC1=S	2297359771	GMWCLMDSZBCGAU-UHFFFAOYSA-N	370.478	2.227	10	10	FECE	
O=C(NN1C(=O)C(=Cc2ccncc2)SC1=S)c1ccc(O)cc1	2297469569	ILWSNPDFWBHNRH-UHFFFAOYSA-N	357.416	2.333	10	10	FECE	
C[C@@H](N[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)c1cc(O)ccc1O	2330887052	BVBVEJAYOHGHIT-FIUQPQMISA-N	364.442	2.383	10	10	FECE	
CN(Cc1cc([N+](=O)[O-])ccc1O)C1CCN(CCn2cccn2)CC1	106128998	BHNBLCWUPWSKCU-UHFFFAOYSA-N	359.430	2.093	10	10	FECE	
COc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cccc(F)c3)C2=O)cc1	103844328	HSMUQOIXLFNNCQ-XNTDXEJSSA-N	355.325	2.413	10	10	FECE	
COc1ccc(OC)c([C@@H]2CC(=O)NC(NC(=O)c3ccccc3)=N2)c1	20530750	FMBDRMIJDFEGRK-HNNXBMFYSA-N	353.378	2.051	10	10	FECE	
CC(C)OC(=O)[C@H](C)N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1	129681148	AIUSBJLMBWPOOC-JCVNQNCUSA-N	360.454	2.335	10	10	FECE	
C[C@H](NCc1cccc([C@]2(C)NC(=O)NC2=O)c1)c1cc(F)ccc1O	185294628	XWJGGFOTXYRNRR-WLRWDXFRSA-N	357.385	2.437	10	10	FECE	
CCN[C@H]1C(=O)Nc2cc(N(C)C(C)(C)CO)c(Br)cc21	126590329	IFMIJCABPPIKIL-CYBMUJFWSA-N	356.264	2.259	10	10	FECE	
Cc1noc([C@H]2COCCN2Cc2cc(Br)ccc2O)n1	188475721	LLWDSUOHXDFENN-GFCCVEGCSA-N	354.204	2.420	10	10	FECE	
COC(=O)[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	246984502	RPIJDQXDUWSZHE-NILFDRSVSA-N	368.380	2.182	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCOC[C@@H]1CC(F)F	286346889	BMFOCMLGXXACJY-ZVVFDCPKSA-N	366.408	2.419	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)NC[C@@H]1CCN(C2CC2)C1	805180778	CQRFHLQDLCMRJY-NSHDSACASA-N	368.275	2.438	10	10	FECE	
CCn1ncc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1	815835071	JIWBNEZMJCKRGA-CQSZACIVSA-N	363.849	2.051	10	10	FECE	
COc1ccc(N2CCN(C(=O)COC(=O)[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cc1	817204913	XXGBVNBKPLBSFD-BRWVUGGUSA-N	372.465	2.323	10	10	FECE	
COc1ccc(CNC(=O)NC/C=C/CNC(=O)OC(C)(C)C)c(O)c1	812466184	IADBQPYNKXKFRE-AATRIKPKSA-N	365.430	2.281	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3CC[C@H]3C(=O)O)cc2F)C[C@@H](C)O1	901961856	WXYVZBOELSVJNR-AYRXBEOTSA-N	364.417	2.166	10	10	FECE	
CS(=O)(=O)c1ccc(NNC(=S)Nc2ccc3c(c2)OCO3)cc1	735236211	NWLZKOCPAKZIIS-UHFFFAOYSA-N	365.436	2.132	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CCCN3CCSC[C@H]23)c1	903271775	NTAQHLUBRNJNOL-APHBMKBZSA-N	350.484	2.409	10	10	FECE	
COCc1cc(NC(=O)N(C)CCN(C)c2ccc(OC)cc2)ncn1	844563090	VUQBADFCAYXCQG-UHFFFAOYSA-N	359.430	2.232	10	10	FECE	
C[C@@H](NCc1ccc(S(N)(=O)=O)cc1F)c1ccc(N(C)C)cc1	842699224	JXSOSWYGPOKLDU-GFCCVEGCSA-N	351.447	2.390	10	10	FECE	
COc1ccc(N2CC[C@H](N3C(=O)N[C@H](c4ccc(O)cc4)C3=O)C2)cc1	849356333	DOXGDQXNQSHYLF-MAUKXSAKSA-N	367.405	2.273	10	10	FECE	
COc1ccc(O)c([C@H](C)NC[C@H]2CS(=O)(=O)c3ccccc3O2)c1	842883742	NOSNZGHEJTVILN-JSGCOSHPSA-N	363.435	2.286	10	10	FECE	
C[C@H]1CN(c2ccc(C(=O)NCc3c(O)cccc3F)cn2)C[C@@H](C)O1	928712359	SDFZYUQTIKICPO-BETUJISGSA-N	359.401	2.470	10	10	FECE	
O=C(NCCCSc1nccs1)NC[C@H]1CCN1C1CCOCC1	921447337	FYFZBXJRWHTBCY-CQSZACIVSA-N	370.544	2.178	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3C[C@H]4CC[C@H]3[C@@H](CO)C4)C2)cc1	852387673	TZCISYNSQOZPSZ-LJCCNALRSA-N	373.497	2.324	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@@](CO)(OC)C2)cc1F	853705726	BLXZMNUWFBNAQD-LJQANCHMSA-N	367.465	2.355	10	10	FECE	
Nc1ccc(CC(=O)NC2(CN3CCN(c4ccccc4)CC3)CC2)cc1	851646137	XHXBJVVHLPYMBZ-UHFFFAOYSA-N	364.493	2.282	10	10	FECE	
CC1=C(C(=O)NCc2ccc3cccnc3c2O)[C@H](C)n2ncnc2N1C	862026234	JCWTWJKRHBXKMO-LBPRGKRZSA-N	364.409	2.133	10	10	FECE	
C[C@@H](O)[C@@H](O)CNCc1ccc(N2CCCCC2)c(Br)c1	865739653	YMAWQAHHSBBPMR-WBMJQRKESA-N	357.292	2.271	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2cc(C(=O)OC(C)(C)C)nn2C)cc1	864573141	GYZHUJNXDXZTOA-UHFFFAOYSA-N	358.442	2.371	10	10	FECE	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCO[C@H](CC(N)=O)C3)c2C)c1	863483826	DZHJDYQHMOTBBV-GOSISDBHSA-N	369.465	2.427	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCC(N3CCCOCC3)CC2)c1O	931288834	VKSGYNSCWVFLME-UHFFFAOYSA-N	350.434	2.421	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCC1CS(=O)(=O)C1	861219815	JOERPNBEMFLVLP-UHFFFAOYSA-N	374.462	2.071	10	10	FECE	
C[C@@](O)(C[C@H](O)CNCc1ccc(N2CCSCC2)cc1)C1CC1	872201358	XXGZQRFTSZKRTG-RBUKOAKNSA-N	350.528	2.241	10	10	FECE	
CN(C)Cc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cn1	773725369	HXKJCKANIZZZHZ-UHFFFAOYSA-N	368.481	2.252	10	10	FECE	
COC(=O)c1c(CNCCCNC(=O)C(C)C)c2cc(F)ccc2n1C	894361177	DZJMEXXGZMKATF-UHFFFAOYSA-N	363.433	2.356	10	10	FECE	
COc1ccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)c(F)c1	790392916	ZOUHYEIDYBSSJV-UHFFFAOYSA-N	366.414	2.472	10	10	FECE	
Cc1c(CN(C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cnn1C	790499983	AFNSUEHEAPLVJI-HNNXBMFYSA-N	371.485	2.468	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCN(C[C@@H](C)O)C[C@@H]2C)c1	793586131	GCJFXPWLOMTDNB-QWHCGFSZSA-N	357.292	2.350	10	10	FECE	
C[C@@H](N)c1ccc(N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1O	711806244	ZOIMBVFTRRBLPQ-IERDGZPVSA-N	355.482	2.485	10	10	FECE	
CC(C)N(Cc1ccc(N2CCN(C)CC2)c(F)c1)C[C@@H]1CCC(=O)N1	1325241798	LBMCXBNCEIXGEL-KRWDZBQOSA-N	362.493	2.067	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCCN=[N+]=[N-])C[C@@H]2COCC[C@@H]21	2124537828	CDWPBPCFKOAUMA-MCIONIFRSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COCC[C@H]1C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2124532028	IEUMDMALZKDYJY-BFHYXJOUSA-N	367.450	2.465	10	10	FECE	
C[C@@H](NC(=O)C(=O)NC1CC(C)(C)C1)c1ccc(N2CCOCC2)cc1	1350707818	MTZGFWSCNCENIB-CQSZACIVSA-N	359.470	2.005	10	10	FECE	
N[C@@H]1C(=O)Nc2cc(N3[C@H]4CC[C@H]3CSC4)c(Br)cc21	1914583440	RSQWEHIWAFOIAZ-UPFKWVMWSA-N	354.273	2.485	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](C(=O)N3CC[C@@H](N=[N+]=[N-])C3)C[C@@H]21	2135127794	ACKFYTOEQBRFAQ-YIYPIFLZSA-N	365.434	2.312	10	10	FECE	
CN(C)c1ccc(CNC(=O)Cc2ccc(-n3cnnc3)cc2)cc1F	1351739250	YHODVINPAGQMOQ-UHFFFAOYSA-N	353.401	2.331	10	10	FECE	
C[C@H](NC(=O)c1nn(C)cc1I)c1ccccc1O	1454815533	GRLDIVYDVCPPOV-QMMMGPOBSA-N	371.178	2.221	10	10	FECE	
CS(=O)(=O)NCc1ccc(C(=O)NCc2c(O)ccc3ccccc23)o1	1472084643	BAUYXGDHIGDDTN-UHFFFAOYSA-N	374.418	2.118	10	10	FECE	
CCN(C)C(=O)Cn1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C	1615138222	DIOKZSYOODREKP-UHFFFAOYSA-N	359.474	2.396	10	10	FECE	
O=C(NCc1nc(-c2ccncc2)n[nH]1)c1cc2cc(O)c(O)cc2s1	1557053330	OOLCSQSXDVHHCT-UHFFFAOYSA-N	367.390	2.423	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCCC2=O)cc1	1631256580	RQAJRCMYKXMCSZ-LSDHHAIUSA-N	358.398	2.449	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC/C=C\CNC(=O)[C@@]23CCC[C@@H]2C3)cc1	1759725729	IECAMOSGFWYBHV-BIOIIJQPSA-N	369.425	2.441	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]2COC[C@@H](C1)N2c1ccc(CN)cc1F	2139755858	KVDQMQJPQFROAT-LSDHHAIUSA-N	365.449	2.499	10	10	FECE	
O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc(O)cc1F	162527325	CAONOCIKLZAQPA-UHFFFAOYSA-N	364.398	2.018	10	10	FECE	
O=C1/C(=C\c2cccc(O)c2)SC(=S)N1CCCN1CCOCC1	1858587240	YLPWWKCZPYPQOQ-NTCAYCPXSA-N	364.492	2.316	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)cc1	1116975645	AXTAPRJJQZEEHU-ROUUACIJSA-N	355.413	2.180	10	10	FECE	
CN[C@H](c1ccccc1O)[C@@]1(O)CN(Cc2ccccc2)[C@@]2(CCOC2)C1	2156320580	PTICTDWJAOQWBW-FSSWDIPSSA-N	368.477	2.449	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1CCC(=O)Nc1ccc(N)cc1	2198983901	VLLYWAZZQFVFBY-KBRIMQKVSA-N	374.485	2.442	10	10	FECE	
CNC(=O)CN(Cc1ccccc1)c1ccc(CNCCOC)cc1F	2095919793	ROZCXKTVCPBVGT-UHFFFAOYSA-N	359.445	2.314	10	10	FECE	
CCOc1cc(C=C2SC(=S)N(CCC(=O)O)C2=O)ccc1O	2293031417	VULAOWDMCOHWSW-UHFFFAOYSA-N	353.421	2.467	10	10	FECE	
COC[C@]1(C(=O)N(C)CCCN=[N+]=[N-])C=CCN1C(=O)OC(C)(C)C	2314772092	KQJRTIWJVSMWLL-INIZCTEOSA-N	353.423	2.337	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CCOc1ccc(N)cc1	2333049428	ACKSZZNDUPGWPN-YLQAJVPDSA-N	361.442	2.162	10	10	FECE	
Nc1ccc(CCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1	66153491	DSLVGNWLELRLOU-UHFFFAOYSA-N	353.422	2.313	10	10	FECE	
O=C1C[C@@H]([C@H]2CCCCN2C(=O)NCc2ccc(N3CC=CC3)cc2)CN1	121996276	WEUMMYFVTJDHHB-IEBWSBKVSA-N	368.481	2.263	10	10	FECE	
C[C@@H](C(F)(F)F)S(=O)(=O)NCc1ccc(N2CCOCC2)c(F)c1	184232714	RRJLJNCTHTYEKK-JTQLQIEISA-N	370.368	2.033	10	10	FECE	
CCc1cnc(CCNC(=O)C(=O)NCc2ccc(N(C)C)cc2C)s1	807098570	YHQQSRGRAMVQQN-UHFFFAOYSA-N	374.510	2.055	10	10	FECE	
CCN1CCC(CCNC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1	805741873	UVINZSXUDBADAB-MRXNPFEDSA-N	374.529	2.168	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)N[C@H](C3CCC3)C3CC3)C2)cc1	829636937	DGEDLPXDKUWBGV-QFBILLFUSA-N	371.481	2.085	10	10	FECE	
COC(=O)C[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@H]1C	915389733	DFJVGVOYYGTFST-RHSMWYFYSA-N	359.470	2.410	10	10	FECE	
COC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)c1cc2cc(O)c(O)cc2s1	913437146	OXONOFHEHGNBCQ-DYZYQPBXSA-N	365.407	2.105	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cc3cnn4ccccc34)CC2)cc1	843516849	FVVJGJSWPHKGCC-UHFFFAOYSA-N	350.422	2.234	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2CC(=O)Nc1ccc2c(c1)OCO2	746493600	ZTUNCXUJWXMUEG-UHFFFAOYSA-N	355.394	2.319	10	10	FECE	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCCc3c2ccc(=O)n3C)cc1	844781858	LMKNXVGNBZNVFZ-QGZVFWFLSA-N	354.454	2.328	10	10	FECE	
C[C@H](Nc1ccnc(N2CCOCC2)n1)c1ccc(N2CCOCC2)cc1	758847964	IYOYKKBNTMSDLY-INIZCTEOSA-N	369.469	2.323	10	10	FECE	
COc1ccc(N(CC(=O)O)CC(=O)NCC2(C(F)(F)F)CC2)cc1	853007451	AFLKDCXKNFHQKO-UHFFFAOYSA-N	360.332	2.045	10	10	FECE	
C[C@@H]1CC2(CO1)CC(NCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)C2	924730895	UTLXTNUUWOOZLC-YQSZFJRPSA-N	357.498	2.436	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CCC(CN3CCNC3=O)CC2)c1O	933583965	APCAYMBRWLSVCX-UHFFFAOYSA-N	365.861	2.485	10	10	FECE	
CCN(CC)c1ccc(CNS(=O)(=O)c2cnc(O)s2)cc1F	866755989	UMKXOXUKBIFKDO-UHFFFAOYSA-N	359.448	2.313	10	10	FECE	
C[C@H](NCC1(N)CCOCC1)c1ccc(N2CCOCC2)cc1Cl	863540815	HZRDFYMQXLGRGG-AWEZNQCLSA-N	353.894	2.335	10	10	FECE	
O=C(C(=O)N1Cc2cccc(O)c2C1)N1CCC2(CCSCC2)CC1	1119022790	FMXZUEKTIYCKJD-UHFFFAOYSA-N	360.479	2.370	10	10	FECE	
C[C@H]1NC(=O)CC[C@H]1c1nnc(N(C)Cc2ccccc2O)n1CC1CC1	1123410267	RIEDQJMJIVXROY-CZUORRHYSA-N	369.469	2.412	10	10	FECE	
C[C@@H]1CN(CCNC(=O)c2cc3cc(O)c(O)cc3s2)[C@H](C)CO1	898668703	JTEKLIDNPDIILP-GHMZBOCLSA-N	350.440	2.152	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)CNC(=O)N2CCCC2)cc1F	1136730235	HMZOXNPUDMGVHN-UHFFFAOYSA-N	350.438	2.094	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(C(=O)NCc2cccc(O)c2O)CC1	1521851242	IHFKIPGRTAJWOG-UHFFFAOYSA-N	350.415	2.361	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N[C@H](CO)[C@@H]3CCOC3)c2C)cc1	1295798558	JCXZJQRNGIWGBS-DNVCBOLYSA-N	358.438	2.230	10	10	FECE	
COc1ccccc1-c1nnc(CC(=O)NCCc2ccc(O)c(O)c2)o1	1294914192	XCDDYCRXKSECMC-UHFFFAOYSA-N	369.377	2.058	10	10	FECE	
CC[C@@H]1C[C@H]1NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136257806	CMOBKLWVBOBNEC-MCIONIFRSA-N	364.442	2.448	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCc1ccc(Cn2ccccc2=O)cc1	1625671663	JGZXPEYIYQVLRN-UHFFFAOYSA-N	364.401	2.167	10	10	FECE	
C[C@H](NC(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1)c1ccc(N(C)C)cc1	1634447967	FLFUVKKWQJENIC-LRDDRELGSA-N	361.442	2.416	10	10	FECE	
Cc1ccc(CN2C[C@H](C(=O)NCc3cc(O)ccc3O)CC2=O)cc1	1633595151	KFRPKUARSSVJAO-MRXNPFEDSA-N	354.406	2.071	10	10	FECE	
COc1cccc(CNC(=O)N[C@H](C)c2nc(C(F)(F)F)no2)c1O	1565488325	YDRRJWALAXJXDA-SSDOTTSWSA-N	360.292	2.363	10	10	FECE	
COC(=O)c1c(NC(=O)c2cc3cc(O)c(O)cc3s2)nc2n1CCC2	1641421755	JOAPYFIVJHBCSL-UHFFFAOYSA-N	373.390	2.494	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CCN2C(=O)c2c(F)ccc(O)c2O)C1	1649142292	STFSVAOLBNONEV-UHFFFAOYSA-N	352.362	2.072	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1ccccc1CSc1nc[nH]n1	1570462221	JVTNTDMNOLSRHG-UHFFFAOYSA-N	356.407	2.438	10	10	FECE	
COC(=O)COCCNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1	1651310001	CZHXNPXZJJYIAR-UHFFFAOYSA-N	358.350	2.427	10	10	FECE	
O=C(NC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1)Oc1ccccc1	1584682881	ZAIBVUDOXQULAQ-UHFFFAOYSA-N	370.405	2.420	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)/C=C\c3ccco3)CC2)cc1	209617535	FPLRQOSHMGIXOK-HJWRWDBZSA-N	355.438	2.240	10	10	FECE	
COc1ccc(/C=C2/SC(=S)N(CCCNC(C)=O)C2=O)cc1	1858593933	DXJXVEXOTINZAF-GXDHUFHOSA-N	350.465	2.423	10	10	FECE	
C[C@H](N[C@H]1COC[C@H]1CNC(=O)OC(C)(C)C)c1ccc(O)cc1O	2036598796	JDSOEXPARVMVFR-ZOWXZIJZSA-N	352.431	2.288	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1NS(=O)(=O)Cc1ccc(N)cc1	2044243947	OJRFSUJWFYKKPO-LSDHHAIUSA-N	369.487	2.134	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NCc2c(O)cccc2F)[C@H](CO)C1	2052718750	ZGROEBONTLNYKU-SWLSCSKDSA-N	354.422	2.239	10	10	FECE	
Nc1ccc(OCC(=O)NCCc2cnn(Cc3ccccc3)c2)cc1	2090089520	XVUUXQWVAANLHQ-UHFFFAOYSA-N	350.422	2.251	10	10	FECE	
COCC[C@@H](CNCc1c(O)cccc1OC)NC(=O)OC(C)(C)C	2218565088	MAOLWDPSTAWMNQ-ZDUSSCGKSA-N	354.447	2.420	10	10	FECE	
Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccccc3[N+](=O)[O-])C2=O)c1	2297512368	DOFCRVBDLZRCHR-UHFFFAOYSA-N	366.333	2.482	10	10	FECE	
COC[C@@]1(C)C[C@H](NC(=O)OC(C)(C)C)CN1Cc1cc(N)ccc1O	2338819645	OINCTWCJDDZEIQ-HNAYVOBHSA-N	365.474	2.479	10	10	FECE	
Cc1ccc(CN[C@H](C)[C@H](C)S(C)(=O)=O)c(O)c1Br	2352940870	JHIQOTHLVPBJSC-ZJUUUORDSA-N	350.278	2.374	10	10	FECE	
COc1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)cc1	100363619	OFFCJEYHBBLBAY-SDNWHVSQSA-N	367.361	2.283	10	10	FECE	
C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCOc2cc(N(C)C)ccc21	180492342	YRUWHNAUEQPZQH-CQSZACIVSA-N	356.422	2.438	10	10	FECE	
COc1ccc(N2CCC(N[C@@H]3CCC[C@@H]3S(C)(=O)=O)CC2)cc1	182764155	CZIRWLDLLQIFPE-MSOLQXFVSA-N	352.500	2.219	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3CC[C@@](O)(C(F)(F)F)C3)ccc21	81489585	GITUAJOEZXDJOC-INIZCTEOSA-N	357.376	2.278	10	10	FECE	
COC(=O)Cn1ncc(N[C@@H](C)c2ccc(N3CCC(O)CC3)cc2)c1C	195159620	SDPRQLLIJSTFIV-AWEZNQCLSA-N	372.469	2.499	10	10	FECE	
COCCCNc1nccc(N2CCN(c3ccc(OC)cc3)CC2)n1	242805996	FGQHZNVYGFWHBB-UHFFFAOYSA-N	357.458	2.260	10	10	FECE	
COc1cc(O)c(CN2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)cc1OC	245608175	ACYXHKRKNQRQQJ-BFYDXBDKSA-N	364.486	2.483	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)Nc3c(C)noc3C)CC2)cc1	264014791	CIGIUKSMONWBDR-UHFFFAOYSA-N	373.457	2.244	10	10	FECE	
O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)C1=S=C([N+](=O)[O-])C=C1	363208273	CAAUQDVANNUXIE-UHFFFAOYSA-N	366.305	2.495	10	10	FECE	
CN=c1[nH]cc(Cl)c(=NCc2ccc(C)c(Br)c2O)[nH]1	2380746581	VTLVHSAOORGGQY-UHFFFAOYSA-N	357.639	2.404	10	10	FECE	
CC(C)(C)OC(=O)N1CC=C(CNCc2ccc(O)c(O)c2O)CC1	385194156	WIIQIXOJOIDXBE-UHFFFAOYSA-N	350.415	2.460	10	10	FECE	
CC(C)NC(=O)CCn1nc(Cc2ccc(N)cc2)c2ccccc2c1=O	821187393	VOAQBFDSJJRIAK-UHFFFAOYSA-N	364.449	2.484	10	10	FECE	
CN(C)C(=O)N(C)[C@H]1CCN(Cc2ccc(Br)cc2O)C1	827545281	YUYKGTSGPUIEGG-ZDUSSCGKSA-N	356.264	2.342	10	10	FECE	
CCN(OC)C(=O)CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	828144345	CKBJJSFXHBTYKF-UHFFFAOYSA-N	362.474	2.228	10	10	FECE	
COc1cc(Cl)cc(CN2C[C@@H]3CC[C@H](C2)N3C2CCNCC2)c1O	903980632	WCYSAEGYRPGPNZ-CALCHBBNSA-N	365.905	2.455	10	10	FECE	
CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H]2COC3(CCC3)C2)C2CC2)cc1	830085278	JLRRQJFWHVXGPA-INIZCTEOSA-N	371.481	2.071	10	10	FECE	
COC(C)(C)[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	914242679	QZORKKMVKWFMGB-ZDUSSCGKSA-N	353.438	2.275	10	10	FECE	
Cc1cc(Br)c(O)c(CN2C[C@@H](C)N(CCO)C[C@@H]2C)c1	841891686	OOUGJELJIHGASS-OLZOCXBDSA-N	357.292	2.350	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N2CCCC[C@H]([C@H]3CCOC3)C2)cc1	929237356	JPJVKCANKMWJFX-ROUUACIJSA-N	373.497	2.034	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccc(C)o3)C2)cc1	852454256	OPLHXRJOHKNASE-WMLDXEAASA-N	359.426	2.208	10	10	FECE	
CCc1csc(NC(=O)C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)n1	850538206	WOXHLEMBGDWMAT-ZDUSSCGKSA-N	374.466	2.048	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)NCCN1C[C@H]2CCCCN2C1=O	852651975	MQIZKEGGQPMHMU-GOSISDBHSA-N	373.501	2.150	10	10	FECE	
CCOC(=O)N[C@H](C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(C)C	855232318	PRBOHSIDQREFNA-YOEHRIQHSA-N	363.458	2.161	10	10	FECE	
CC(C)C[C@@]1(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CCNC1=O	865017831	BFDMRXJYZDQVOB-IERDGZPVSA-N	373.497	2.253	10	10	FECE	
CC(C)OC[C@@H](O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O	769085950	VKRNGFUQQVUGQY-CYBMUJFWSA-N	368.385	2.405	10	10	FECE	
CN1C(=O)C[C@H](C(=O)NCc2cccc(Cl)c2O)[C@H]1c1cccnc1	890763341	SRLUZDRPCZQYBY-XJKSGUPXSA-N	359.813	2.276	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)NCc2ccc(O)c(O)c2)C1	1137443222	HLMWDPCGEOFRDW-DJJJIMSYSA-N	362.426	2.361	10	10	FECE	
CCN(CCS(C)(=O)=O)c1ccc([C@@H](C)O)cc1Br	688521784	XPYLYJQKJSKVSH-SNVBAGLBSA-N	350.278	2.373	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3C[C@@H](C)O[C@@H]3C)CC2)cc1F	1313146686	DHOQFHGLYNVVMR-XJKCOSOUSA-N	351.422	2.232	10	10	FECE	
CCOC(=O)C[C@H](C)CNC(=O)N(C)CCN(C)c1ccc(OC)cc1	1312428443	MNNJLTVRLKWKPT-HNNXBMFYSA-N	365.474	2.362	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)NC[C@@H]2CC(C)(C)CO2)N(C)C)cc1	1248448454	HPWHQJPARODIII-ROUUACIJSA-N	362.518	2.470	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](OC(=O)NCCc2ccc(O)c(O)c2)C1	2124208930	CLIBLVUKEBPGDB-CYBMUJFWSA-N	366.414	2.376	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)C(C)(C)N1CCN(C(=O)OC(C)(C)C)CC1	2124515835	OIJUIMLBZCLIHW-UHFFFAOYSA-N	368.482	2.477	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2124532029	IEUMDMALZKDYJY-HZSPNIEDSA-N	367.450	2.465	10	10	FECE	
C[C@@H](NC(=O)C(=O)NC[C@@H]1CCC(C)(C)CO1)c1ccc(N(C)C)cc1	1332859844	VJERCFHOWZTDDJ-PBHICJAKSA-N	361.486	2.251	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@@H]1CNCc1cc2c(cc1O)OCO2	1905993744	SWRBWHCJDJSBMV-MJBXVCDLSA-N	362.426	2.466	10	10	FECE	
C[C@@H](NC(=O)C(=O)NC[C@@H]1C[C@H]1C(F)(F)F)c1ccc(N(C)C)cc1	1262270415	WIYPDMIDTRMIFK-SCDSUCTJSA-N	357.376	2.244	10	10	FECE	
CN(Cc1ccccc1O)C(=O)c1c(Br)nc2n1CCOC2	1347932420	VNEGXSSEARQGNL-UHFFFAOYSA-N	366.215	2.154	10	10	FECE	
CCOCc1nnc(N2CC(C)(OC)C2)n1Cc1ccc(N(C)C)cc1C	1503030175	RZDLFECQMHQSOK-UHFFFAOYSA-N	373.501	2.462	10	10	FECE	
C[C@H](NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1O	1454820949	UOFDAEWKAGCRDK-NSHDSACASA-N	358.354	2.299	10	10	FECE	
CC(C)c1cc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)on1	1462803098	FSEOVLXAUHCXKJ-UHFFFAOYSA-N	370.453	2.430	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNc3cc(Cl)nc(N)n3)cc2)CC1	1612920564	YOTSPOONBSVNDU-UHFFFAOYSA-N	360.849	2.026	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)[C@H](O)c1cccc(Br)c1	1622664232	MJFBRGJPGDDDRM-CQSZACIVSA-N	352.184	2.210	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F	1558112894	FLWKTMFWLSTQOM-DYVFJYSZSA-N	369.339	2.291	10	10	FECE	
O=C(NCc1ccc(O)cc1O)[C@@H](O)Cc1cccc(C(F)(F)F)c1	1638357537	RYVULMHGZRBRBF-HNNXBMFYSA-N	355.312	2.336	10	10	FECE	
CCC[C@@H](CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)OC	1682640083	NQUFMONWBBQYBY-ROUUACIJSA-N	350.507	2.470	10	10	FECE	
Cc1cc(CNC(=O)N(C)Cc2ccccc2O)ccc1S(C)(=O)=O	154754706	GJQZJTKIOXCOLH-UHFFFAOYSA-N	362.451	2.446	10	10	FECE	
CO[C@H]1C[C@H](C(=O)NCCCCN=[N+]=[N-])CN(C(=O)OC(C)(C)C)C1	1964945372	WQLPIUXRVLTBLF-STQMWFEESA-N	355.439	2.465	10	10	FECE	
C[C@H](N)c1ccc(N2C[C@@H]3CCS(=O)(=O)[C@H]3C2)cc1Br	2145071358	GOAHZDRWWLJTIT-BHDSKKPTSA-N	359.289	2.092	10	10	FECE	
CCCN(Cc1ccccc1O)C[C@@H](O)CN1C(=O)c2ccccc2C1=O	170779242	SSARAMXNEIAOAF-MRXNPFEDSA-N	368.433	2.261	10	10	FECE	
CN(C(=O)CN(C)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)c1ccc(N)cc1	2163022534	ZHCIVOSDROIYHA-HZPDHXFCSA-N	374.485	2.029	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1	2049781387	UQGOGXLMFRUYCV-QNSZCRRISA-N	350.459	2.191	10	10	FECE	
CC[C@H](CN(C)CC(=O)Nc1ccc(N)cc1)NC(=O)OC(C)(C)C	2053102441	VDGKOLDIOCDVGJ-CQSZACIVSA-N	350.463	2.442	10	10	FECE	
COC(=O)c1cccc(N)c1N[C@@H]1COC[C@H]1CNC(=O)OC(C)(C)C	2108838400	RERXLPJPIOTBAP-BXUZGUMPSA-N	365.430	2.007	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCc2cc(O)c(O)cc2C1	2341197698	SIHVGOFQRFJKGU-CQSZACIVSA-N	362.426	2.382	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)OCCN1CCSCC1	127537162	OFWUKKWOHGOSTJ-ZZXKWVIFSA-N	362.495	2.128	10	10	FECE	
Cc1cncc(/C=C\C(=O)N2CCc3ccc(S(=O)(=O)N(C)C)cc32)c1	255281392	KFNUWRPNIJIVEF-DAXSKMNVSA-N	371.462	2.243	10	10	FECE	
CC[C@@H]1C[C@@H](NC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)CCO1	817878032	MKEFMXTYIUSTRM-FUHWJXTLSA-N	361.486	2.175	10	10	FECE	
COC(=O)c1conc1C(C)(C)NCc1ccc([N+](=O)[O-])c(OC)c1O	822534612	PTMAKYQEOCQSNL-UHFFFAOYSA-N	365.342	2.109	10	10	FECE	
O=C(O)c1cnn2c(O)cc(CN(CCc3cccc(F)c3)C3CC3)nc12	738702164	GERYSVRLMHIXTM-UHFFFAOYSA-N	370.384	2.479	10	10	FECE	
O=C(NCCCSc1nccs1)N1C[C@H](O)C[C@H]1[C@@H]1CCCOC1	838513699	KRPGQHUEAMHATA-MCIONIFRSA-N	371.528	2.197	10	10	FECE	
C[C@@H]1C[C@@H](S(=O)(=O)NCc2cccc(Br)c2O)CCO1	831286454	BBAUNERCVDEMCI-KOLCDFICSA-N	364.261	2.142	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1	847454218	HONALIDRIXHLJF-QGZVFWFLSA-N	360.458	2.267	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CCC(=O)NCc2ccc(O)cc2O)C1	910957007	NENZKYBLSBXUJC-UHFFFAOYSA-N	350.415	2.361	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(/C=C\C(=O)O)o1	911130706	DLUPGJSNOQWDDO-CLFYSBASSA-N	370.405	2.486	10	10	FECE	
CCOc1ccc(CNC[C@H]2CS(=O)(=O)c3ccccc3O2)c(O)c1	842722613	SDXUVZJZLKMZIS-HNNXBMFYSA-N	363.435	2.115	10	10	FECE	
Cn1c(CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cnc1Cl	848527439	BLZDEGFCDCCSRS-AWEZNQCLSA-N	361.877	2.065	10	10	FECE	
Cc1cc(O)c(CNCCc2ccc(S(N)(=O)=O)cc2)c(Cl)c1	840874451	FXIUNVMZEZCUQN-UHFFFAOYSA-N	354.859	2.334	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCn3c(CC4CC4)nnc3C2)cc1F	844933744	IGTMFJASQARPEQ-UHFFFAOYSA-N	372.448	2.161	10	10	FECE	
Cc1cc(C(=O)N2C[C@H](C)N(CCO)C[C@@H]2C)c(C)n1-c1ccccn1	841455305	SFYRUQAXIJGOPS-HOTGVXAUSA-N	356.470	2.016	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC[C@@H]([C@@H]2CCCN2)C1	844220781	BBZNYNBLUXVNER-QUCCMNQESA-N	358.530	2.175	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc(S(C)(=O)=O)cc3)C2)cc1	855230783	YBRDOZPPXQVPFE-HNNXBMFYSA-N	374.462	2.107	10	10	FECE	
CCOc1ccc(CN2CCC[C@](O)(Cc3nc(CC)no3)C2)c(O)c1	856591416	BIMJMPMHOKIWLX-IBGZPJMESA-N	361.442	2.306	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CC[C@@H]3NC(=O)CC[C@H]3C2)c1O	853554485	AYNJLPKQANZNEA-KSSFIOAISA-N	368.433	2.433	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N3C[C@H]4C(=O)OC[C@H]4C3)cc2)CC1	858204966	PAUWCSDLCLRWCB-SJLPKXTDSA-N	357.454	2.237	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](C)O[C@H](C4CC4)C3)C2)cc1	852452553	ZWWXMEHEXAXBJC-QOKNQOGYSA-N	359.470	2.483	10	10	FECE	
O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)/C=C\c1ccc(O)c(O)c1	779475857	MLZZXVPULRFLDA-RNZFLTOJSA-N	359.407	2.197	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H]4OCCC[C@H]4C3)C2)cc1	1118564217	RWAAAVVYEVSJCZ-BXWFABGCSA-N	359.470	2.484	10	10	FECE	
C[C@@H](N)c1ccc(N(C)C[C@H]2CCCS2(=O)=O)c(Br)c1	694121429	UOBBTRJEYVHXKN-ZYHUDNBSSA-N	361.305	2.482	10	10	FECE	
O=C(NCc1c(O)ccc2ccccc12)c1cnc2n(c1=O)CCS2	1304090028	VQSPYROBGSKSJH-UHFFFAOYSA-N	353.403	2.138	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NC(=O)Nc2ccc(N)cc2)C1	2116274563	PROOIUPDIRLHLT-DOMZBBRYSA-N	364.446	2.008	10	10	FECE	
Cc1ccc(O)c(CN=c2nc(C3CN(C(=O)OC(C)(C)C)C3)[nH][nH]2)c1	2127693650	RFWYIKIZWUVPFQ-UHFFFAOYSA-N	359.430	2.187	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@](Sc2nccs2)(C(=O)O)C1	1904756113	AXDJGQMXGKEUQJ-CQSZACIVSA-N	360.457	2.326	10	10	FECE	
O=C(C(=O)N1Cc2cccc(O)c2C1)N1CCC(Cc2nccs2)CC1	1348667512	SMBMMLZCWSFPOA-UHFFFAOYSA-N	371.462	2.172	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)[C@H]2CC(c3cnn(C)c3)=NO2)cc1F	1293225606	YKMQVWDKYOUZEY-GOSISDBHSA-N	373.432	2.215	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CC(c2cnn(C)c2)=NO1	1523560898	WYNZDDMKCAREHZ-LJQANCHMSA-N	367.453	2.172	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCN(C/C=C\c2ccccc2)CC1	1616917812	JMVGGWBJBZVFPY-DAXSKMNVSA-N	352.434	2.498	10	10	FECE	
CSc1ncc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)cn1	1179618	ZVVYABXCESVPAI-UXBLZVDNSA-N	358.354	2.004	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1	1622297085	PYBLXVFIURXTQX-GJZGRUSLSA-N	372.381	2.407	10	10	FECE	
O=C(/C=C\C(=O)Nc1ccc2n[nH]cc2c1)NCc1c(O)cccc1F	1635360154	BHJOUKWAGWZOOD-SREVYHEPSA-N	354.341	2.219	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(C(=O)N2CCCC2)n1	1638342711	QWKPFFGFIONBBR-ZDUSSCGKSA-N	369.421	2.090	10	10	FECE	
CCOC(=O)CN1C(=O)/C(=C\c2cc(OC)ccc2OC)SC1=S	6076258	IMRDEOZMPXDEGO-MDWZMJQESA-N	367.448	2.468	10	10	FECE	
C[C@@H]1CCC[C@@]1(O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1676653281	JZTDMMUNXHCFJN-MOXGXCLJSA-N	362.518	2.206	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1CCC(=O)N1CCCCC1	1762516151	YQDTVLQLQHZFQO-UHFFFAOYSA-N	357.458	2.331	10	10	FECE	
Cc1nc(CCn2c(CC(C)C)nnc2N(C)Cc2ccccc2O)n[nH]1	1762315285	SIRNPRNXYFOLFH-UHFFFAOYSA-N	369.473	2.488	10	10	FECE	
CCc1noc([C@H]2CC[C@H](NC(=O)NCc3ccc(OC)cc3O)C2)n1	1684437193	QAPNWLCBWNVYBJ-AAEUAGOBSA-N	360.414	2.482	10	10	FECE	
COc1ccc(C(C)=O)cc1NC(=O)CCN1C(=O)[C@@H](C)SC1=S	11636030	FLFSZFBBXRCOII-SNVBAGLBSA-N	366.464	2.475	10	10	FECE	
CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S	16936812	XPTBCUSOMKPWCT-HUMZTAOYSA-N	353.421	2.408	10	10	FECE	
C[C@H](c1cc(Br)ccc1O)N1C[C@H]2CS(=O)(=O)C[C@H]2C1	2144165949	DJYSUAITVLBEFT-MXWKQRLJSA-N	360.273	2.192	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CN[C@@H]1CCN(C2COC2)C1	2169581666	YGDQLTNZAXLHFB-LLVKDONJSA-N	361.667	2.371	10	10	FECE	
CN(C)c1ccc(CNCC2=NO[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)cc1	2183633656	RYOJIHXPSYFBKV-WMZOPIPTSA-N	374.485	2.464	10	10	FECE	
CCN(CC(=O)Nc1ccc(N)cc1)C[C@H](C)NC(=O)OC(C)(C)C	2044674240	DYAYHEORQHJCFG-ZDUSSCGKSA-N	350.463	2.442	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060613454	RLHOJHVCCUGDRP-XQQFMLRXSA-N	353.423	2.218	10	10	FECE	
CO[C@H]1C[C@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060611342	RWTPECYGXDWXKT-FRRDWIJNSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2060618657	BTUNABXPIBFMTM-OLZOCXBDSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1CC(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2067687539	ZIQCPCBBPAJLPR-JHJVBQTASA-N	353.423	2.218	10	10	FECE	
CN1CCc2cc(N3CC[C@@H](CO)[C@@H](NC(=O)OC(C)(C)C)C3)ccc21	2226801290	BIHXCMNXXAWHJK-RDJZCZTQSA-N	361.486	2.391	10	10	FECE	
CC(C)(C)OC(=O)NCCCC[C@H](NCc1ccc(O)c(O)c1)C(=O)O	2274059110	IGQNHIJIYGEXBA-ZDUSSCGKSA-N	368.430	2.336	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COC[C@H]1CC(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2312334277	QTBIDUZEQOCAIR-NDBYEHHHSA-N	353.423	2.264	10	10	FECE	
C[C@@H](NC[C@@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1c(O)cccc1O	2330272967	IEVWGLCOQAULBG-OQMKEHIESA-N	366.458	2.413	10	10	FECE	
O=C(CCC(=O)N1CCc2cc(N3CCOCC3)ccc21)c1cccnc1	62526753	KQTLJHLWRQIQRL-UHFFFAOYSA-N	365.433	2.470	10	10	FECE	
Cc1c(C(=O)Nc2cccc(N3CCCC3)c2)cccc1S(N)(=O)=O	131645906	BKPARDFUFGIQTA-UHFFFAOYSA-N	359.451	2.495	10	10	FECE	
O=C(N[C@H]1CCNC12CCC2)N(Cc1ccccc1O)C[C@H]1CCCO1	529360864	UKZDQCPSVBLZSL-AEFFLSMTSA-N	359.470	2.367	10	10	FECE	
COc1ccc(N2CCN(C(=O)CNCc3cccc(C)c3)CC2)cc1	244357679	XUHGVUWHVICQHJ-UHFFFAOYSA-N	353.466	2.442	10	10	FECE	
CCN1CCC[C@H]1CN(C)C(=O)/C=C\c1ccc(N2CCOCC2)cc1	255593133	YENAVZUGRYUNME-WUQYLLKWSA-N	357.498	2.479	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1O	366791233	CGSGBBDQLUSZIE-VBHSOAQHSA-N	366.414	2.467	10	10	FECE	
O=C(CN1C[C@H]2CCCC[C@H]21)NCc1ccc(N2CCOCC2)c(F)c1	377767514	NNBRMLSEPYAZCY-SJLPKXTDSA-N	361.461	2.153	10	10	FECE	
Cc1ccc(CNN(C)S(=O)(=O)C2CCC2)c(O)c1Br	2381133719	SCVCMSNVBLGOTF-UHFFFAOYSA-N	363.277	2.282	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)N[C@H]1CCN(CC2CC2)C1	805137353	OIAMAPNOKWUGHU-AWEZNQCLSA-N	368.275	2.438	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)cc1	804966427	ACDPOQPPMZCMER-AWEZNQCLSA-N	367.515	2.298	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)Nc3cn(C)nc3OC)C2)cc1	824303095	KTRDTUBKSVAZGZ-ZDUSSCGKSA-N	359.430	2.085	10	10	FECE	
Cc1cc(N(C)C)ccc1CN1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1	826894371	NBVJDEMGQBGXBQ-GJZGRUSLSA-N	364.433	2.468	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]12	828238638	IYRCWHBXQFACCI-FRRDWIJNSA-N	353.513	2.294	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)N1C[C@H](C)O[C@H](C)C1	917657907	HMRUQHMTRBOMEQ-IYBDPMFKSA-N	369.531	2.317	10	10	FECE	
COC(=O)c1ccnc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	841081304	UBAVHPISGVYLSZ-AWEZNQCLSA-N	369.421	2.196	10	10	FECE	
CC1CCN(c2ccc(CN3C(=O)N[C@@H](CC4OCCO4)C3=O)cc2)CC1	924606224	KFQLUDOUKNMWRL-KRWDZBQOSA-N	373.453	2.106	10	10	FECE	
CCOC(=O)[C@]1(F)CN(C(=O)c2c(F)ccc(O)c2O)CC12CCC2	857302017	CYYWPOODDXCDEM-QGZVFWFLSA-N	355.337	2.134	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2ccn(C3CCOCC3)n2)cc1	862128862	KMYIMKUZZVBUKT-UHFFFAOYSA-N	372.469	2.452	10	10	FECE	
CC(C)(C)[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	864936504	HFVBLOLZOMVIDV-IAGOWNOFSA-N	364.511	2.220	10	10	FECE	
COc1cc(O)c(CN2CCN(C(=O)CC(C)(C)C)CC2)cc1OC	768442420	VNNXRSMYSJJCLT-UHFFFAOYSA-N	350.459	2.490	10	10	FECE	
COCCn1ncc(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1C	865115641	NRUBWHXDGHASLC-UHFFFAOYSA-N	372.469	2.245	10	10	FECE	
COc1ccc(O)c(CNC(=O)c2nn3c(c2Br)CCC3)c1	896360750	FPXDDOWHJPVYAK-UHFFFAOYSA-N	366.215	2.236	10	10	FECE	
COCCN1CCC(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1	895887544	BEFBPFSZCVPMGF-UHFFFAOYSA-N	350.440	2.153	10	10	FECE	
Cc1nccc(N2CCN(C(=O)c3cc4cc(O)c(O)cc4s3)CC2)n1	897390159	VEYQZKDLGPTYLE-UHFFFAOYSA-N	370.434	2.373	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2124503913	RIQSIWCVJSNCRK-DGCLKSJQSA-N	363.422	2.004	10	10	FECE	
Cn1cc(Br)c(S(=O)(=O)Nc2ccc(O)cc2Cl)n1	2121903500	VHAHOJRBNLKWNT-UHFFFAOYSA-N	366.624	2.342	10	10	FECE	
C[C@@]1(CNC(=O)C(=O)N2Cc3cccc(O)c3C2)CCOC2(CCC2)C1	1331867185	ANDMJXMBKGJXRB-LJQANCHMSA-N	358.438	2.090	10	10	FECE	
CS(=O)(=O)c1cccc(Cl)c1C(=O)NCc1cc(O)ccc1O	1455357137	OOIRKWPPDJQYCG-UHFFFAOYSA-N	355.799	2.085	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)NCc2ccc(N)cc2)C1	2136202179	LHPWYEMNRYRKIR-IBGZPJMESA-N	363.458	2.037	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cccn2nccc12	1469231464	UPPZADQCATZVSC-UHFFFAOYSA-N	353.378	2.245	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)c3ccc4nc(O)[nH]c4n3)CC2)cc1	1466209064	VBKKZZUFXHTOFJ-UHFFFAOYSA-N	367.409	2.025	10	10	FECE	
CC[C@H](C)c1ncc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cn1	1626070048	OXMLXMUEFCHVLY-JTQLQIEISA-N	364.427	2.320	10	10	FECE	
CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)cc1C	1710034675	CKCVMIQDJDFPAV-KRWDZBQOSA-N	370.501	2.498	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC(=O)N(CC2CC2)C1	1565265924	BTXNCKHZGROMJN-QGZVFWFLSA-N	358.486	2.295	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CC1	1751433385	YTUFFOLOULUUNS-QGZVFWFLSA-N	368.485	2.251	10	10	FECE	
CN(C)c1ccc([C@@H](CN)N2CC3(CCN3C(=O)OC(C)(C)C)C2)cc1	1881407093	UGKSVLGVIJBHLL-QGZVFWFLSA-N	360.502	2.448	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)OC1CCNCC1	1951476951	PBLQWAAJTOXJLC-MRXNPFEDSA-N	352.431	2.260	10	10	FECE	
CC(C)(C)OC(=O)Nc1nc(CC(=O)C(=O)C[C@H]2C[C@H](N)C2)cs1	2003171562	YBDNUBZDPGEHML-MGCOHNPYSA-N	353.444	2.298	10	10	FECE	
CN[C@H](C)c1ccc(N2CC[C@H](S(C)(=O)=O)C2)c(Br)c1	2179926904	RBHNQKKGEDDOOV-PWSUYJOCSA-N	361.305	2.353	10	10	FECE	
CC(C)(C)OC(=O)N[C@](C)(C(=O)NCC1(CN=[N+]=[N-])CC1)C(C)(C)O	2060639865	MVSOAQVROFFWPZ-OAHLLOKOSA-N	355.439	2.247	10	10	FECE	
COc1cc(Cl)cc(CN[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1O	2062452873	ZKDRJEKQHHDNSP-STQMWFEESA-N	372.849	2.124	10	10	FECE	
CCCN(CCNC(=O)c1cc(O)c(O)c(O)c1)C(=O)OC(C)(C)C	2068616705	CNDKNSXDJFZRDP-UHFFFAOYSA-N	354.403	2.180	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C(=O)N2CCC(N=[N+]=[N-])CC2)C1	2073948046	YCPLQHBMZBOQCK-CHWSQXEVSA-N	353.423	2.360	10	10	FECE	
CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccc(O)c(O)c1	2084785423	SUPFLYNGBFCUKB-FZMZJTMJSA-N	368.455	2.179	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@]2(CN(Cc3cc(N)ccc3O)CCO2)C1	2106688585	VGAAATDSTMTRQJ-IBGZPJMESA-N	363.458	2.186	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CCCNc3ccccc32)=C[C@@H]1O	2200988611	OWUGLMPNBGCAQO-RDJZCZTQSA-N	373.453	2.420	10	10	FECE	
CP(C)(=O)C1CN(c2cc3c(cc2Br)[C@@H](O)C(=O)N3)C1	2286170090	SEEUTQXLSJVSAJ-GFCCVEGCSA-N	359.160	2.246	10	10	FECE	
C[C@@H](c1cnn(C)c1)N(C)C(=O)C=Cc1ccc(N2CCOCC2)cc1	2307369656	XXLFGKFPJANPAC-INIZCTEOSA-N	354.454	2.490	10	10	FECE	
CCc1ccc(/C=C2\C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)cc1	20356649	NPUPGYLADHOMSV-PCKMFZADSA-N	369.450	2.158	10	10	FECE	
Cc1cnn(C[C@H]2CN(Cc3cc(Cl)cc([N+](=O)[O-])c3O)CCO2)c1	122393289	TVAODQLJXRMDBI-CQSZACIVSA-N	366.805	2.360	10	10	FECE	
C[C@@H](N[C@H](C)c1nnnn1C1CC1)c1ccc(N2CCC(O)CC2)cc1	189139152	OWJSWEZZBFPPSR-ZIAGYGMSSA-N	356.474	2.381	10	10	FECE	
CNC(=O)c1cccc(OCC(=O)NCc2ccc(N(C)C)cc2C)c1	134943525	GLBPGCKJTYFVGH-UHFFFAOYSA-N	355.438	2.116	10	10	FECE	
COc1ccc([C@@H]2[C@H](C(=O)NCCc3ccc(N)cc3)CC(=O)N2C)cc1	237303823	OZNJNMILWJMUFG-UYAOXDASSA-N	367.449	2.156	10	10	FECE	
COc1cc(NC(=O)NCc2cc(Br)ccc2O)nn1C	806433834	SPSJLRBFDSHABG-UHFFFAOYSA-N	355.192	2.219	10	10	FECE	
Nc1ccc(O)c(CN2C[C@H]3[C@@H]4CC[C@@H](CN4C(=O)C(F)(F)F)[C@H]3C2)c1	2162970332	XSSISSUNUVAICY-QOWREQOWSA-N	369.387	2.206	10	10	FECE	
O=C(NCCCSc1nccs1)N1CC[C@@H](Nc2ncccn2)C1	826692857	MROSFLVWGSHQFB-GFCCVEGCSA-N	364.500	2.311	10	10	FECE	
C[C@@H](NC(=O)c1ccn2nccc2n1)c1ccc(N2CCOCC2)cc1	900387008	NZYHGGOQFAINTG-CQSZACIVSA-N	351.410	2.057	10	10	FECE	
O=C([C@H]1CCc2nc[nH]c2C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	830899581	HREYADAVWZPHES-HOCLYGCPSA-N	355.438	2.428	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)[C@@H]1CCc2cncn2C1	844138999	HRBWFELQAPYUKU-SNVBAGLBSA-N	350.216	2.230	10	10	FECE	
CCn1nc(C)c([C@H](C)NCCN2CCN(c3ccc(OC)cc3)CC2)n1	924832154	PKVPTZAJOZMYJX-INIZCTEOSA-N	372.517	2.088	10	10	FECE	
C[C@H](NC[C@H](O)CS(C)(=O)=O)c1ccc(N2CCCCCC2)cc1	927033722	PZRGFOLXQNAPBA-YJBOKZPZSA-N	354.516	2.123	10	10	FECE	
CC1(C)CCC[C@@H](CNC(=O)C(=O)NCCCSc2nccs2)O1	930197324	GLLHJUUQRQHPIJ-LBPRGKRZSA-N	371.528	2.205	10	10	FECE	
COc1cc(OC)c(S(=O)(=O)N[C@H](C)c2ccccc2O)c(OC)c1	867835042	QRBPXNFGEFEQDA-LLVKDONJSA-N	367.423	2.458	10	10	FECE	
COCc1nc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)n(C)n1	863509053	QZHBXZWJRRYWIM-UHFFFAOYSA-N	353.426	2.299	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN3CCCC4(CC3)CC4)CC2)cc1	860072733	GDGQNQRNBAQHHJ-HXUWFJFHSA-N	373.541	2.444	10	10	FECE	
Cc1cc(C(=O)NC2CC(N3CCOCC3)C2)c(C)n1-c1ccccn1	862105527	QDYBUMYEMYYCSY-UHFFFAOYSA-N	354.454	2.082	10	10	FECE	
CCN(OC)C(=O)CNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C	862102942	VVKFNPQTMLBWJI-UHFFFAOYSA-N	357.410	2.046	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)C[C@@H]1CCC1(F)F	866430394	QKFFQOKCCBSDTD-HNNXBMFYSA-N	374.453	2.330	10	10	FECE	
O=C(O)c1cnn2c(O)cc(CN3CC[C@@]4(CCc5ccccc54)C3)nc12	872165751	KQHDLFRCMAHORN-FQEVSTJZSA-N	364.405	2.223	10	10	FECE	
COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)NCc2cc(OC)ccc2O)C1	776146285	YAAZOYHGVFXMEH-CHWSQXEVSA-N	365.430	2.067	10	10	FECE	
Cc1ccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c(O)c1O	780890230	DLDVDKDXGSKNRP-ZIAGYGMSSA-N	371.437	2.345	10	10	FECE	
Cc1cc(CCNC(=O)NC[C@@]2(O)CCO[C@@H]2C)c(C)n1-c1ccccc1	788850892	CEKWJEXBKOQQPG-UTKZUKDTSA-N	371.481	2.476	10	10	FECE	
COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)cc1	797819607	OKEPIIIHJTYRCJ-UHFFFAOYSA-N	352.368	2.380	10	10	FECE	
C[C@@H](NC(=O)c1ccc(F)c(NS(C)(=O)=O)c1)c1ccccc1O	1151885886	MBXBHKQYIUSCLP-SNVBAGLBSA-N	352.387	2.394	10	10	FECE	
CC1(CNC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCC1	1323854582	OZUJDZJXVPVFKO-MRXNPFEDSA-N	360.454	2.206	10	10	FECE	
COC(=O)c1ccc(C(=O)NCc2cc(Br)ccc2O)o1	1322570385	SPHZJRSRKGRWSO-UHFFFAOYSA-N	354.156	2.464	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CCC[C@@H](F)C3)nc12	1331990316	VIDVRYYGBSHTHA-GHMZBOCLSA-N	365.361	2.183	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)C1	2124536579	RVNAXRADPOCDQT-MJBXVCDLSA-N	367.450	2.153	10	10	FECE	
Cn1cc(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)c(CNC(=O)OC(C)(C)C)n1	2124539180	RMYCQOOMYLIGDA-NSHDSACASA-N	363.422	2.360	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1	2132402776	FGQKQELHRMIERS-GHMZBOCLSA-N	366.414	2.179	10	10	FECE	
NC(=O)[C@]12CCC[C@H]1CN(c1nnc(-c3sccc3O)n1CC1CC1)C2	1345816414	KRRKOGXVPFHBQL-SGTLLEGYSA-N	373.482	2.214	10	10	FECE	
CN1CCc2cc(CN[C@]3(CO)CCN(C(=O)OC(C)(C)C)C3)ccc21	2133755463	MUYZJAHGOCHHOX-HXUWFJFHSA-N	361.486	2.140	10	10	FECE	
COC(=O)CC(C)(C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1537483149	MJVXSSHMUGPDEU-KRWDZBQOSA-N	363.502	2.451	10	10	FECE	
O=C(NCc1cc(Cl)cc(Cl)c1O)C1=CS(=O)(=O)CCC1	1625689062	POLAGPJWBJCYQG-UHFFFAOYSA-N	350.223	2.408	10	10	FECE	
CS(=O)(=O)Nc1cc(C(=O)NCc2cc(O)ccc2O)ccc1Cl	1633595325	RMSIRUFNFCYKSO-UHFFFAOYSA-N	370.814	2.053	10	10	FECE	
CS(=O)(=O)c1cc(C(=O)NCc2ccc3cccnc3c2O)cs1	1643283135	HZVGYTKLTBTWQW-UHFFFAOYSA-N	362.432	2.335	10	10	FECE	
COC[C@H](NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C)c1nn[nH]n1	1644688754	GGLHAKUIMRAFKN-KRWDZBQOSA-N	368.441	2.342	10	10	FECE	
O=C(NCCCSc1nccs1)c1cccc(-c2nc(=O)o[nH]2)c1	1585221820	CSMHFIBINNQLQD-UHFFFAOYSA-N	362.436	2.399	10	10	FECE	
CC(C)Oc1cccc(/C=C2/SC(=S)N([C@H](CO)C(=O)O)C2=O)c1	1858595999	LQGCYPAHHGLKBI-GKWYLQRDSA-N	367.448	2.121	10	10	FECE	
CCOc1cccc(CNCC(=O)Nc2ccc(NC(C)=O)cc2)c1O	1860718224	FRLRQNXXMKCVQK-UHFFFAOYSA-N	357.410	2.478	10	10	FECE	
CC(C)(C)OC(=O)N[C@](C)(C(=O)O)C1(c2cc(O)c(O)c(O)c2)CC1	1951856889	SIJVOZSIXNXVHH-MRXNPFEDSA-N	353.371	2.203	10	10	FECE	
COC(=O)C1(NC(=O)OC(C)(C)C)CC(NCc2c(C)cccc2O)C1	1967846434	CZUKZOAQXMQFKA-UHFFFAOYSA-N	364.442	2.389	10	10	FECE	
Oc1cc2c(cc1CNC[C@]1(O)CCCN(Cc3ccccc3)C1)OCO2	2157525891	QJIKPSPWTGEJRA-OAQYLSRUSA-N	370.449	2.238	10	10	FECE	
Nc1ccc(O)c(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)c1	404177334	IBYUOPSZOTWJAG-PZJWPPBQSA-N	353.466	2.450	10	10	FECE	
CNCc1ccc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c(Br)c1	2170654599	XXYUNCYWIFPPPK-WDEREUQCSA-N	363.321	2.426	10	10	FECE	
C[C@@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1cccc(O)c1O	2054413158	LFDSORKMFDTZGT-NSHDSACASA-N	350.415	2.425	10	10	FECE	
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)COC1	2067764633	LVMDHPSSKWLHPQ-LBPRGKRZSA-N	353.423	2.077	10	10	FECE	
CN(C)c1ccc([C@@H](N)C2CN(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1	2269086396	QYCIVRJQHLORRE-GOSISDBHSA-N	360.502	2.304	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N[C@H](CO)c1ccccc1	2306222944	NNVBZQXCTZWPCY-HXUWFJFHSA-N	352.434	2.386	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)C=Cc3ccc[nH]3)CC2)cc1	2310760458	BLLHWUHJGXFPSK-UHFFFAOYSA-N	368.481	2.365	10	10	FECE	
COC(=O)[C@H](C)N(C(=O)C=Cc1ccc(N2CCOCC2)cc1)C1CCC1	2311651639	MQNMGKJQSUBZMI-INIZCTEOSA-N	372.465	2.479	10	10	FECE	
CN1N=C(C(F)(F)F)C(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1=O	2332141505	ZGZAOGYVBJZPPV-UHFFFAOYSA-N	357.244	2.140	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3cccs3)CC2)cc1	54304831	DSTOGMLKEWYNMI-AWEZNQCLSA-N	373.478	2.224	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[C@]2(O)CCCC[C@@H]2C1	178699641	OFIFODDIYYKMEN-WIYYLYMNSA-N	359.514	2.338	10	10	FECE	
C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C(=O)N1CCCCC1	74319697	VVARATNXPSPGBT-AWEZNQCLSA-N	359.470	2.471	10	10	FECE	
CC(=O)N1C[C@@H](C)Oc2ccc(S(=O)(=O)Nc3ccc(O)cc3)cc21	71446878	OANXSHAJPJGWQR-LLVKDONJSA-N	362.407	2.327	10	10	FECE	
CCN1CC[C@@H](N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C)C1	125766225	IKVJVEYFSFJJRL-YLJYHZDGSA-N	360.546	2.373	10	10	FECE	
CN(C)CCNC(=O)c1cccc2c(N)c3cc([N+](=O)[O-])ccc3nc12	142403020	SWQFAUAVYZYCHP-UHFFFAOYSA-N	353.382	2.170	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)OC[C@H]1CC(=O)N(C2CC2)C1	255297679	WURIIRZCGMAJLH-VCKUIECUSA-N	370.449	2.091	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCN3CC[C@H]2C3)C1	615571540	LFRTUPPJLHTEAC-KRWDZBQOSA-N	366.509	2.324	10	10	FECE	
Cc1ccc(CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c(O)c1Br	2380713197	QHBABWWXTSJWFH-CMPLNLGQSA-N	360.273	2.082	10	10	FECE	
CC(=O)C(=O)COC(=O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1	808611297	BAJBEHIHEYRUQB-UHFFFAOYSA-N	370.398	2.004	10	10	FECE	
COCCOc1cc2c(cc1CNCc1cccc(OC)c1O)OCO2	809740466	ZQTKORRVSDYWTE-UHFFFAOYSA-N	361.394	2.445	10	10	FECE	
CNC(=O)[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1	817638639	CZXRQGIYTSPQSU-OAHLLOKOSA-N	355.438	2.311	10	10	FECE	
Cc1cn(C)nc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	826064681	NGAWAWCUHFHPGJ-UHFFFAOYSA-N	361.421	2.150	10	10	FECE	
O=C(NCC[C@@H]1CCOC1)NCc1cc(F)c(N2CCOCC2)c(F)c1	838547935	IUIFZGILJLBRIO-CYBMUJFWSA-N	369.412	2.027	10	10	FECE	
COCCN(C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)[C@@H]1CCOC1	840484820	PZCNHXRJAMVJKX-VQIMIIECSA-N	363.502	2.439	10	10	FECE	
COC(=O)[C@H](NCc1cc(Br)cc(C)c1O)c1ccnn1C	843430415	UGOMCJJVMCRLTM-CYBMUJFWSA-N	368.231	2.201	10	10	FECE	
Cc1cc(O)c(CN2CCN(c3ncnc4c3cnn4C)CC2)c(Cl)c1	840910934	XLJBQPRXGBQIRA-UHFFFAOYSA-N	372.860	2.353	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ncccc1[N+](=O)[O-]	849370266	WQNMDZHWFTZFJM-UHFFFAOYSA-N	364.427	2.267	10	10	FECE	
C[C@H](NCC[C@@H]1CNC(=O)C1)c1ccc(N2CCOCC2)cc1Cl	926984786	HXKUBCPAOJOSGE-KBPBESRZSA-N	351.878	2.353	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)CCOC3)cc1F	850361385	YXXQVWKSMVCNFB-UHFFFAOYSA-N	371.412	2.219	10	10	FECE	
CC12CC(CN1C(=O)NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)C2	853463095	FYLBRHZFDLQDJH-NGEICVOHSA-N	356.470	2.082	10	10	FECE	
CN(C)c1ccc(CN(C(=O)CC[C@@H]2CC[C@H](C(N)=O)O2)C2CC2)cc1	864785342	CRUADSWKZICTLM-ZWKOTPCHSA-N	359.470	2.057	10	10	FECE	
O=C1C[C@H](C(=O)NCc2ccc3cccnc3c2O)[C@@H]2CCCC[C@H]2N1	862025285	RRCULPFHTYOVSY-HRCADAONSA-N	353.422	2.252	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H]3CCCn4nccc43)CC2)cc1F	869217543	ASAGZLBCOMLVSF-INIZCTEOSA-N	373.432	2.398	10	10	FECE	
Cc1nccc(N2CCN(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)CC2)n1	776237651	CYISVAZQWXTUKO-OAHLLOKOSA-N	368.485	2.444	10	10	FECE	
CCc1noc(C[C@]2(O)CCCN(Cc3cc(C)cc(OC)c3O)C2)n1	895376300	WSTAQAAKZHIJRY-LJQANCHMSA-N	361.442	2.224	10	10	FECE	
O=C(NCc1ccccc1O)c1cnc(I)c(O)c1	1137471346	HLEZGEHYZXPWOC-UHFFFAOYSA-N	370.146	2.027	10	10	FECE	
CN(C)c1ncc(Br)cc1C(=O)NCc1cccc(O)c1O	1153791824	LCHOVBVUBUWAEM-UHFFFAOYSA-N	366.215	2.251	10	10	FECE	
COc1ccc(N2C[C@@H](NC(=O)/C=C/c3ccc(O)c(O)c3)CC2=O)cc1	1165959338	IPXNEHVJMWAIJO-WMKWSGJFSA-N	368.389	2.041	10	10	FECE	
CNC(=O)CCn1c(CC(C)(C)C)nnc1N(C)Cc1ccccc1O	1315050849	JNLOUBFPTWWYCG-UHFFFAOYSA-N	359.474	2.345	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](C(=O)N1CC[C@@H](N=[N+]=[N-])C1)C1CCOCC1	2124504778	CZBOIZGOBGTNDR-KGLIPLIRSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)C1	2124536743	SPXFZFYJZBRYPM-PBFPGSCMSA-N	367.450	2.201	10	10	FECE	
C[P@]1(=O)C[C@@H](O)[C@@H](NCc2cc(Br)cc(F)c2O)C1	2121383110	GSAWSQMBRVMOSO-ZDCWMAILSA-N	352.140	2.119	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)NC[C@@]12CCC[C@@H]1C2	1262250471	WLRRKEQHCKHSSA-UZLBHIALSA-N	373.522	2.162	10	10	FECE	
C[C@H](NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)C1(C)CC1	1347496736	QBVUDNGTOKSRRC-AWEZNQCLSA-N	358.486	2.376	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCN(CC(F)(F)F)CC1	1296246080	KHCGVQCXMNYKDW-NSHDSACASA-N	360.376	2.419	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)c3c(OC)ccnc3OC)CC2)cc1	1466210030	ATEHSGXXXAQWAK-UHFFFAOYSA-N	371.437	2.460	10	10	FECE	
CO[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC[C@@H]1C	1638917495	HZNFIPOZYAGFMF-ZYSHUDEJSA-N	362.518	2.422	10	10	FECE	
C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1	1644034731	XOYPVPYZPRNBRT-CQSZACIVSA-N	371.319	2.132	10	10	FECE	
O=C(CCC(=O)Nc1c(F)cccc1F)NCc1ccc(O)cc1O	1570462451	UITZWIAXYBXYQI-UHFFFAOYSA-N	350.321	2.411	10	10	FECE	
CC(=O)c1nn(C(C)C)cc1OCC(=O)NCc1ccc(N(C)C)cc1	1656871302	ZUMDKRAETQRAEB-UHFFFAOYSA-N	358.442	2.428	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCc2cc[nH]n2)C1	1593726515	JALQJMGOIRAYEN-UHFFFAOYSA-N	365.481	2.490	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)N2CC([C@@H]3CCOC3)C2)N(C)C)cc1	899101130	FFUPJEJRRPHWEY-VQIMIIECSA-N	360.502	2.033	10	10	FECE	
O=C(OCc1ccccc1)N1CCN(C(=O)c2ccc(O)c(O)c2)CC1	1982311272	ITQBQVQNYCSTIO-UHFFFAOYSA-N	356.378	2.192	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(O)c(O)c2O)[C@H](F)C1	2029905539	FCEDQZKLZJRHHA-NEPJUHHUSA-N	356.394	2.241	10	10	FECE	
O=C(c1cccc(O)c1O)N1CC[C@@]2(CN(Cc3ccccc3)CCO2)C1	717428105	FPHGTZKGZOELBN-OAQYLSRUSA-N	368.433	2.215	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2060633373	MWTOFYOUELRAPY-NEPJUHHUSA-N	353.423	2.075	10	10	FECE	
COC[C@](C)(NC(=O)OC(C)(C)C)C(=O)N1CCC(CN=[N+]=[N-])CC1	2060634193	WQWWJEADBGEFJA-INIZCTEOSA-N	355.439	2.465	10	10	FECE	
COc1ccc(N2CCO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(N)c1	2106709010	HJASOPPZDWHKRH-IBGZPJMESA-N	363.458	2.494	10	10	FECE	
O=S(=O)(CCNCc1cccc(Br)c1O)C(F)(F)F	2224284726	DNMGNCSHVIWZBL-UHFFFAOYSA-N	362.167	2.179	10	10	FECE	
CN(C(=O)CN1C[C@@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1)c1ccc(N)cc1	2288268231	ZVYCTOBJFCVLEH-VBKZILBWSA-N	374.485	2.078	10	10	FECE	
O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(O)cc1O	2313558450	BAGOAHNAVLTTGH-UHFFFAOYSA-N	358.350	2.068	10	10	FECE	
CN1CCc2cc([C@H](N)[C@]3(O)C[C@@H]4C[C@H]3N(C(=O)OC(C)(C)C)C4)ccc21	2354609586	IXFPRWIMSMEBKZ-OTUCFGOJSA-N	373.497	2.439	10	10	FECE	
O=C1N=C(S)N(C2CC2)C(=O)/C1=C/NCCc1c[nH]c2ccccc12	102501890	JVNHRZIVSWAZOY-GXDHUFHOSA-N	354.435	2.001	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CCN(CC(F)(F)F)C1=O	118532545	AOEXGVWNXKVUFH-INIZCTEOSA-N	371.403	2.118	10	10	FECE	
CCOC1CCN(c2cc3c(cc2Br)[C@H](N)C(=O)N3)CC1	118711820	NEZXEHMYSJVJAX-AWEZNQCLSA-N	354.248	2.406	10	10	FECE	
C[C@H](NCCN(C[C@@H](C)O)C(=O)OC(C)(C)C)c1cc(O)ccc1O	302114834	QWRLSFKLXPUHOD-OLZOCXBDSA-N	354.447	2.366	10	10	FECE	
Cc1ccc(N2NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3O)C2=O)cc1C	33316807	QVZZYVKWNLHGQX-NTEUORMPSA-N	353.334	2.379	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H]3CCO[C@@H](C4CC4)C3)CC2)cc1	130104456	ZAMNUNDRVDGGBZ-QFBILLFUSA-N	359.470	2.484	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(=O)NCCC3=CCCCC3)CC2)cc1	244263132	WNSYAWHCWKDZNX-UHFFFAOYSA-N	371.481	2.351	10	10	FECE	
C[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cn[nH]c1	270374472	ZRMITNSLLFCTFQ-GFCCVEGCSA-N	361.421	2.070	10	10	FECE	
Cn1ncc(Br)c1CNCc1ccc(N2CCOCC2)cc1	278302679	CGXADVKGCSJPJU-UHFFFAOYSA-N	365.275	2.309	10	10	FECE	
COCCCCS(=O)(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	274855340	IOIRMRNQJKETLO-INIZCTEOSA-N	357.472	2.130	10	10	FECE	
COc1cccc(CNC(=O)c2cnc(C(=O)OC(C)(C)C)cn2)c1O	284510059	VPWJLSSDPJRUAY-UHFFFAOYSA-N	359.382	2.076	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)NCC[C@@]2(O)CCOC2)CCCC1	652800351	OEIABGPGBRZFSV-OAQYLSRUSA-N	372.465	2.186	10	10	FECE	
NC(=O)c1ccnc(N2CC=C(c3ccc(Cl)nc3)CC2)c1[N+](=O)[O-]	811824629	JTSUWTRDEICGHP-UHFFFAOYSA-N	359.773	2.431	10	10	FECE	
Cc1cc(N(C)C)ccc1CN1CCc2sc(S(N)(=O)=O)cc2C1	827776658	ZXQVGSNKUAMKRF-UHFFFAOYSA-N	365.524	2.328	10	10	FECE	
COc1cc(-c2noc(CN3CCOc4cc(N(C)C)ccc43)n2)ncn1	828538346	LCFMASITQBLHLH-UHFFFAOYSA-N	368.397	2.000	10	10	FECE	
CO[C@H](CS(=O)(=O)NCc1ccc(N2CCSCC2)cc1)C1CC1	827008068	JHNGJXQMUBYPFQ-QGZVFWFLSA-N	370.540	2.084	10	10	FECE	
COC(=O)/C(C)=C/CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	914400998	ZEDXBUWZOYNOML-NHXNDTTKSA-N	361.442	2.003	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)C[C@H]2CCOC[C@H]2OC)cc1	844857490	YOQUPOPCBDOOKK-CRAIPNDOSA-N	350.459	2.031	10	10	FECE	
Cc1cc(C(=O)N[C@H](C[C@H]2CCCO2)C(=O)O)c(C)n1-c1ccccn1	910590901	NVTOHPDYDFVFOK-GDBMZVCRSA-N	357.410	2.241	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CCNC(=O)c3ccsc3)C2)cc1	855229506	OLWCCFHDLRYRAO-OAHLLOKOSA-N	373.478	2.272	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCCOc3ncccc3F)C2)cc1	852221676	FJFHXKVXVAKKRH-CQSZACIVSA-N	374.416	2.186	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NCc2ncc(C)cc2C)cc1	929525744	AKRMBYXFHXAIHZ-UHFFFAOYSA-N	368.481	2.477	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3CCc4nccnc4C3)CC2)cc1	853643928	WAYJZHVSASQQFS-UHFFFAOYSA-N	367.453	2.222	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc4c(c3)OCCO4)C2)cc1	855234475	AVHNNAABIOICRD-OAHLLOKOSA-N	354.406	2.475	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(CCO)Cc3ccc(C)o3)C2)cc1	854297438	NQGXTAAAPRCVJP-INIZCTEOSA-N	373.453	2.379	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN[C@H](C)c3cscn3)CC2)cc1	852420114	OLQXRXDAQCALOI-CQSZACIVSA-N	360.483	2.151	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ncc4c(F)cccn34)C2)cc1	862159524	SRDFRSLUHXYMLF-CYBMUJFWSA-N	354.385	2.491	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccnc(F)c1	868952677	MVZUNNKRHYUJPJ-UHFFFAOYSA-N	358.417	2.399	10	10	FECE	
CNC(=O)[C@@H](NC(=O)c1ccccc1-n1c(C)cc(C=O)c1C)C(C)C	860287854	POTGQAWKRLISIR-SFHVURJKSA-N	355.438	2.407	10	10	FECE	
c1cc(N2CCOCC2)ccc1CN1CCC(CO[C@H]2CCNC2)CC1	863652214	ROSBEVGPDGWOGZ-NRFANRHFSA-N	359.514	2.114	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CC[C@@H](CN)c3ccccc32)cc1	872153682	GPLVDMVCIVNLCN-KRWDZBQOSA-N	352.482	2.321	10	10	FECE	
CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1cc(Cl)cc([N+](=O)[O-])c1O	776013881	OQSRNVQJUUWKQI-CHWSQXEVSA-N	372.805	2.496	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CCSC(C)(C)C1	1119729765	WJVZEJXXXDRNOL-HNNXBMFYSA-N	363.527	2.468	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)CN3CCc4ccccc43)cc2)CC1	1132898471	AUOTVDWVCUHJFO-UHFFFAOYSA-N	364.493	2.117	10	10	FECE	
COc1ccc([C@@H](C)NCC2(O)CN(C(=O)OC(C)(C)C)C2)c(O)c1	1918691379	AXKJMVKILVFEAE-GFCCVEGCSA-N	352.431	2.033	10	10	FECE	
c1cnc(N2CCN(CCCCNCc3ccc4c(c3)CCO4)CC2)nc1	1308249469	YTCDXKONMOOYFA-UHFFFAOYSA-N	367.497	2.104	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CCC(N=[N+]=[N-])CC3)CO[C@H]2C1	2124536563	RQNVUQBINZKZRX-MCIONIFRSA-N	365.434	2.170	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@H]1C(F)F	2118177170	YVXJMLZTNSZUIN-MNOVXSKESA-N	372.368	2.328	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C	2124159187	BVRYGYUDFGCWIR-UMVBOHGHSA-N	364.442	2.282	10	10	FECE	
Nc1ccc(CCNC(=O)C(=O)N2CCc3sc(Cl)cc3C2)cc1	1349362662	OHXLMLMJEQLCPM-UHFFFAOYSA-N	363.870	2.227	10	10	FECE	
CN(C)[C@@H]1CCC[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1	1454001095	AVBDAMPOFDUDPW-PKOBYXMFSA-N	359.514	2.384	10	10	FECE	
C[C@@H]1CNc2c(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)cnn2C1	1522410630	GQCCLVAQAFORIR-KDOFPFPSSA-N	370.501	2.043	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CC1(C)C	2136261209	JRHMUMJOONQKEQ-WFASDCNBSA-N	364.442	2.448	10	10	FECE	
CC[C@](COC)(NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)OC	1556920748	FKLWVJJTCVIHOH-MRXNPFEDSA-N	353.396	2.011	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)C(=O)Nc1c(F)cccc1F	1566008807	ZVJOFCQLRCXZMN-UHFFFAOYSA-N	361.348	2.395	10	10	FECE	
Cc1nnnn1/C(=C/c1ccccc1)C(=O)NCc1c(O)cccc1F	1635360839	SIRBDQSAIRVIDN-MHWRWJLKSA-N	353.357	2.141	10	10	FECE	
CON(C)c1nnc([C@H]2CCOC2)n1Cc1ccc2c(c1)CCCN2C	1730968569	KJPCMCNGYSOSDE-INIZCTEOSA-N	357.458	2.210	10	10	FECE	
COc1ccnc(OC)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1586060036	AEVPDIUZNQUEII-MRXNPFEDSA-N	372.469	2.198	10	10	FECE	
COc1cccc(CNC(=O)Cc2nnc(-c3ccccc3)n2C)c1O	1595800308	SKPUYQPJVAPRMB-UHFFFAOYSA-N	352.394	2.055	10	10	FECE	
COc1nn(C)cc1CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1	1684664901	VNACRXRZCLKHED-UHFFFAOYSA-N	357.458	2.371	10	10	FECE	
C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H]1CCOC1)c1ccccc1O	1877547830	FCUDJNNZFVAFTP-HEHGZKQESA-N	364.442	2.499	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](C(=O)NCCCCN=[N+]=[N-])[C@@H]1CCOC1	1964945541	ZGYYUJDZKHXWBE-OLZOCXBDSA-N	355.439	2.371	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](CC(=O)NCc2ccccc2O)O1	1969154568	OWACLGDXVODNFP-ZFWWWQNUSA-N	364.442	2.423	10	10	FECE	
O=C(N[C@H]1CN(Cc2ccccc2)[C@@]2(CCOC2)C1)c1cccc(O)c1O	2154517537	KOYFUFJZNWHYFV-IERDGZPVSA-N	368.433	2.261	10	10	FECE	
OC[C@H]1C[C@@H]1NCc1cc(Br)cc(Br)c1O	309517137	AHEMOTTXHXZGKA-XCBNKYQSSA-N	351.038	2.388	10	10	FECE	
CO[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NCc2ccccc2O)C1	1187405938	OFTNEENPYMWKGF-GJZGRUSLSA-N	364.442	2.423	10	10	FECE	
CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N(C)CCCN=[N+]=[N-]	2060616825	GCSPRZRVUYSSFD-CHWSQXEVSA-N	355.439	2.417	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2060611030	OMEKQWSPDDPEBG-XQQFMLRXSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2060611116	PGSAUPKYQCTSLR-LRDDRELGSA-N	353.423	2.314	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CO1	2060609494	WMHVEZRGWQHEST-AGIUHOORSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](F)CN1c1cc2c(cc1N)OCCO2	2106808299	RPQIVJXDSQIZJK-RYUDHWBXSA-N	367.421	2.482	10	10	FECE	
CN(Cc1ccccc1)[C@H]1CCN(C[C@H](O)COc2ccc(N)cc2)C1	2095871088	YLYAKUKFDSTFKO-PMACEKPBSA-N	355.482	2.215	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CN(c2ccc3c(c2)COCC3)CC[C@@H]1CO	2226716140	RRUYRAHTZMVUMS-QAPCUYQASA-N	362.470	2.471	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(C(=O)COc1ccc(N)cc1)C2	2272636398	KYXRBPGAMNPWFW-YJYMSZOUSA-N	361.442	2.021	10	10	FECE	
CC(C)(C)OC(=O)N[C@@](C)(C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-])C(C)(C)O	2312334295	RHDVJMKUMPALHH-GDLVEWKHSA-N	355.439	2.388	10	10	FECE	
CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(N(C)C)cc2)n2nnnc2N1	35147988	ANFITFHFEOESAC-HNNXBMFYSA-N	356.430	2.370	10	10	FECE	
CC(=O)N1CSC[C@H]1C(=O)N(Cc1ccco1)Cc1ccccc1O	136908565	HKOXMDBJTTUNNB-INIZCTEOSA-N	360.435	2.435	10	10	FECE	
C[C@@H](O)CNc1ccc(NC[C@@H](C)O)c2c1C(=O)c1ccccc1C2=O	147293400	UHETYMRNMJBOCJ-VXGBXAGGSA-N	354.406	2.047	10	10	FECE	
O=S(=O)(N(Cc1ccccc1O)C[C@H]1CCCO1)N1C[C@H]2CC[C@H]1C2	246087089	IRJJZBVKMPQHJT-BHYGNILZSA-N	366.483	2.102	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCN(C)C2)C1	443989958	NIFVCQSNRVBKHM-KRWDZBQOSA-N	368.525	2.476	10	10	FECE	
COCC[C@H]1CCCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1	368493981	WVLMRZOGYOEHGA-CYBMUJFWSA-N	370.471	2.043	10	10	FECE	
COc1ccc(O)c(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)c1	364573220	BHDOGFMGAJEBLO-MRXNPFEDSA-N	370.405	2.027	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3cc(C)sn3)CC2)cc1	277676998	FMXCQHYWQRGVBD-UHFFFAOYSA-N	360.483	2.012	10	10	FECE	
CCOC(=O)c1c(CN2CCN(c3ccc(OC)cc3)CC2)noc1C	809931035	FIIUZUSZYYLBEQ-UHFFFAOYSA-N	359.426	2.491	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1cscn1	804021178	UQYPWRVHJQAFQI-UHFFFAOYSA-N	360.483	2.263	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1O	825124679	WAFBPIBWTWOIIQ-NOZJJQNGSA-N	350.293	2.054	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@@]2(C)C1=O	839953454	RDCKMNKNYRQVMB-RBPRZQKGSA-N	353.466	2.339	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCCCC3CC3)cc2)C1	736405173	CDGASUHZANWXBW-QGZVFWFLSA-N	358.486	2.378	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2cc(-n3ccnc3)ccn2)cc1	846442758	WIVWRJCPPKLJMQ-UHFFFAOYSA-N	365.437	2.484	10	10	FECE	
CCOC(=O)CN1C(=O)/C(=C/c2cn(C3CCC3)nn2)c2ccccc21	849246350	HNEGWJLCBKNHCC-MHWRWJLKSA-N	352.394	2.453	10	10	FECE	
C[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)c1ccc(N(C)C)cc1	852260723	ARBXPPFXZOMILV-JNDILOIQSA-N	365.421	2.424	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCC(O)(C(F)F)CC3)C2)cc1	854300180	WCBJJOMGXCOXCA-CYBMUJFWSA-N	369.412	2.076	10	10	FECE	
CN(C)c1ccc([C@H](N)CNC(=O)[C@H]2COC[C@H]2c2ccccc2)cc1	852791775	MFOUPZSMPGONSX-SLFFLAALSA-N	353.466	2.299	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1CCCn2nccc21	869218042	CJATYEDTLVLMBW-SFHVURJKSA-N	369.469	2.179	10	10	FECE	
CN(CCC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccncc1	779480923	XRYZORVMBXZGOO-UHFFFAOYSA-N	354.454	2.061	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1=C2CCCN=C2NN1	1135964970	VPWKDBMVIWHLTO-UHFFFAOYSA-N	353.470	2.190	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CC[C@H](c3noc(C)n3)C2)c([N+](=O)[O-])c1	1307208561	IZSDHXBPCPDUPW-BPJJOFIESA-N	358.354	2.466	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)Cc2ccc(O)c(O)c2)C1	1302549891	JFFOLNIJKAKVAK-JOCQHMNTSA-N	350.415	2.060	10	10	FECE	
CN(C)c1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)cc1	2116270982	UGVNAVNGNCNFNZ-SJLPKXTDSA-N	363.502	2.460	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)NCc2ccccc2O)CN(C(=O)OC(C)(C)C)C1	2124339206	WLIQAFINDZITOK-LSDHHAIUSA-N	364.442	2.280	10	10	FECE	
C[C@H](NC(=O)C(=O)NCC1(C)CC(F)(F)C1)c1ccc(N(C)C)cc1	1338555756	JWLXQXZBJUNYPP-LBPRGKRZSA-N	353.413	2.481	10	10	FECE	
Cc1cnc(CNC(=O)C(=O)NCc2ccc(N(C)C)cc2C)c(C)c1	1332866161	KJEJLIJYNMQONF-UHFFFAOYSA-N	354.454	2.005	10	10	FECE	
CC[C@@H]1[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)CCN1C(=O)OC(C)(C)C	2132413138	KIWHTINOFKFGNN-NWDGAFQWSA-N	366.414	2.321	10	10	FECE	
CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cc(O)c(O)c(O)c1	2132413333	MDOYTPPSEAAXSJ-SFHVURJKSA-N	368.430	2.473	10	10	FECE	
COc1cccc(CNC(=O)N[C@H](c2nccn2C)C(F)(F)F)c1O	1347595537	GETWLMVLKQNJIU-GFCCVEGCSA-N	358.320	2.237	10	10	FECE	
C[C@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C[C@@H](C)S1	1479185845	VGHGALZQNZAOJB-IYBDPMFKSA-N	362.543	2.474	10	10	FECE	
C[C@@H]1C[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1O	1612698135	CZISDNRBOBIOEM-SNPRPXQTSA-N	355.442	2.227	10	10	FECE	
C[C@H]1Oc2ccccc2N(CC(=O)NCc2cc(Cl)ccc2O)C1=O	1628666925	MSBYKFDSKVKQRM-LLVKDONJSA-N	360.797	2.476	10	10	FECE	
CN1C(=O)C[C@H](NC(=O)c2cccc(O)c2O)[C@H]1c1ccc(F)c(F)c1	1558400389	BWWAJKRHDNCUAT-XJKSGUPXSA-N	362.332	2.078	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)/C=C/[C@H]2COC(C)(C)O2)N(C)C)cc1	1637004735	NLMBMSXQBBOZJC-AAIOHFERSA-N	361.486	2.179	10	10	FECE	
C[C@@H]1CCC[C@@]1(O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1676653282	JZTDMMUNXHCFJN-XFQXTVEOSA-N	362.518	2.206	10	10	FECE	
N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N(Cc1ccccc1)C[C@@H]1CCCO1	2152216833	IJXXHBAOWMPCLT-ROUUACIJSA-N	370.449	2.175	10	10	FECE	
C[C@H](NC[C@@H]1COCCN1C(=O)OC(C)(C)C)c1c(O)cccc1O	310605620	ATMLSIZZVUFILV-QWHCGFSZSA-N	352.431	2.384	10	10	FECE	
C[C@@H](CCS(C)(=O)=O)N(C)c1cc(Br)c(CN)cc1F	2160735974	LVJZQGHWPHHQTB-VIFPVBQESA-N	367.284	2.306	10	10	FECE	
CN(C)c1ccc([C@H](N)[C@@H]2Cn3cnnc3CN2C(=O)OC(C)(C)C)cc1	2163130144	FEPCBUWMQKWJJO-RDJZCZTQSA-N	372.473	2.163	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1Nc1c(N)cccc1C(=O)O	2046526013	VZKAVWLUMQHVRN-QWHCGFSZSA-N	351.403	2.061	10	10	FECE	
COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2060636377	XDATUDYYLRPABG-CHWSQXEVSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(=O)NCC2(CN=[N+]=[N-])CC2)CO1	2060610314	GJPWWWGXMKQKFH-NEPJUHHUSA-N	353.423	2.123	10	10	FECE	
C[C@@H](F)CNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2080885318	CZRFBYIWCZGZKR-PWSUYJOCSA-N	356.394	2.008	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@]1(C)C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2081170574	OLGPXAAOOPKUBS-BLLLJJGKSA-N	353.423	2.314	10	10	FECE	
CN[C@@H](c1ccc(N(C)C)cc1)c1cnn(C)c1I	2106805549	OVYKVJHIDYBADG-ZDUSSCGKSA-N	370.238	2.400	10	10	FECE	
CN(C)C(=O)CN(Cc1ccccc1)C(=O)[C@@H]1CNc2ccccc2N1	2095917547	HBXHKFJCRSCORA-SFHVURJKSA-N	352.438	2.010	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@]1(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])CCOC1	2218747528	XENPZPSCZVCVCI-MQIPJXDCSA-N	353.423	2.360	10	10	FECE	
COC(=O)C1(N(C)C(=O)C=Cc2ccc(N3CCOCC3)cc2)CCCC1	2302125624	OZDIJFVOECGRNO-UHFFFAOYSA-N	372.465	2.481	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C	2315986711	HLWXHTBNHUZSEG-GFCCVEGCSA-N	351.411	2.004	10	10	FECE	
COCCN1CCN(Cc2cc(Br)cc(OC)c2O)C[C@@H]1C	120787831	PAGNLVJKFMSNEI-LBPRGKRZSA-N	373.291	2.316	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN[C@@H]2CCO[C@@H]2c2ccccc2)cc1	191956833	UTUJDBMDDFARFN-TZIWHRDSSA-N	353.466	2.489	10	10	FECE	
CCCC(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	81203293	LBKYSHSXVQRGNQ-CYBMUJFWSA-N	369.412	2.289	10	10	FECE	
CCNC(=O)C1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CC1	97029979	XDUXYKGJBVTIFB-ALCCZGGFSA-N	361.398	2.134	10	10	FECE	
CN[C@H]1C(=O)Nc2cc(N3CCC[C@](C)(O)C3)c(Br)cc21	253076708	RMCPBWOULWYMOG-HIFRSBDPSA-N	354.248	2.013	10	10	FECE	
C[C@@](O)(CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1)c1ccco1	255659133	ULCXFFQKFUWQIZ-QKWWCAPFSA-N	356.422	2.153	10	10	FECE	
CCc1nc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)o1	803914128	PDYFUXKPFGXDBL-UHFFFAOYSA-N	359.426	2.427	10	10	FECE	
Cc1ccc2c(c1O)[C@@H](CNC(=O)OCc1ccccc1)N[C@@H](CO)C2	381052294	HLILIHJKHJJWQY-IAGOWNOFSA-N	356.422	2.175	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)Cn1cnc2c1CCCC2	819697116	PSADAJVOQRTLOP-UHFFFAOYSA-N	371.437	2.059	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3CCC[C@@]4(CCNC4)C3)C2)cc1	818654698	CXGZDPCRUYTAEP-UWJYYQICSA-N	372.513	2.307	10	10	FECE	
C[C@H](NC(=O)[C@H]1CCc2nc[nH]c2C1)c1ccc(N2CCOCC2)cc1	823834666	LXZYWJRKCQHBRO-HOCLYGCPSA-N	354.454	2.229	10	10	FECE	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	901931500	NDEAMFRXXXOXJO-FMTVUPSXSA-N	368.380	2.484	10	10	FECE	
C[C@@]1(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C[C@H]2CC[C@H]1O2	837710285	LMEUZCIMKXABCT-VVFCZOMOSA-N	366.408	2.375	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCCN(c2ccccc2)C1=O	588404818	UMWLBIXTXYEDAM-HGPCXVNDSA-N	352.390	2.423	10	10	FECE	
C[C@H](NC(=O)[C@@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)c1ccccc1O	913764011	YFPABVAXLFRCED-HEHGZKQESA-N	366.458	2.433	10	10	FECE	
Cc1ccc(C(=O)N(C)C2CS(=O)(=O)C2)cc1-n1c(C)cc(C=O)c1C	913133221	QRXSLWUKKHXCFJ-UHFFFAOYSA-N	374.462	2.084	10	10	FECE	
CN(C)c1ccc(CN(C(=O)[C@@]23C[C@H]4C[C@H](C(=O)N2)[C@H]3C4)C2CC2)cc1	844318480	OKRORFHQVOXCKH-HEFCWWFNSA-N	353.466	2.158	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCC[C@@]2(C)C[C@]2(F)Cl)cc1	846721010	DIPCCVIRHYGNTC-DLBZAZTESA-N	355.841	2.190	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](CO)[C@@H](O)c1ccccn1	913580786	QQKCRVFUMVIPRQ-RDJZCZTQSA-N	371.462	2.375	10	10	FECE	
CC(C)C[C@@H]1C(=O)N(Cc2ccc(N3CCN(C)CC3)cc2)C(=O)N1C	925079688	MZOQOMAQHYVQFH-GOSISDBHSA-N	358.486	2.247	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC(C)(C)[C@@H]4COC[C@@H]43)C2)cc1	852447819	DWOWMDUZTLRUGR-QGTPRVQTSA-N	359.470	2.340	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC(C)(C)CN3CCCC3)C2)cc1	854296549	DVXZLPOARCWZEM-INIZCTEOSA-N	360.502	2.448	10	10	FECE	
Cc1nc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(C)s1	751664317	OAFSQLFHZAZEAT-OAHLLOKOSA-N	372.494	2.392	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H](OC)c3ccc(O)cc3)C2)cc1	855228030	UEACXFCBXQJSCD-KXBFYZLASA-N	356.422	2.483	10	10	FECE	
C[C@H]1C[C@H]1c1noc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)n1	866023917	XMISNXOXRMTRMB-BLLLJJGKSA-N	356.426	2.084	10	10	FECE	
CN1CCN(c2ccc(CN[C@@](C)(CO)c3cccc(O)c3)cc2)CC1	862433064	SVPNUQXVCNTDTF-NRFANRHFSA-N	355.482	2.141	10	10	FECE	
Cc1cc(CC(=O)N[C@@H]2CCS(=O)(=O)[C@@H]2C)c(C)n1-c1ccccc1	862989243	WLVRTYZFCQCZCR-CRAIPNDOSA-N	360.479	2.328	10	10	FECE	
CN1CCN(Cc2cccc(C(=O)N3Cc4cccc(O)c4C3)c2)CC1	871202843	NJYMKMJEXDWUIX-UHFFFAOYSA-N	351.450	2.296	10	10	FECE	
O=C(CN1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1)c1ccc(O)c(O)c1	705606962	WZGQNFNUBJUZRB-HDICACEKSA-N	352.434	2.344	10	10	FECE	
CCCCn1c(C)c2c(cc1=O)N[N@@H+](c1nc3ccccc3s1)C2=O	1082734830	SKDOFVQFKYZYNI-UHFFFAOYSA-O	355.443	2.264	10	10	FECE	
CC[C@H](CN(C)CC(=O)N(C)c1ccc(N)cc1)NC(=O)OC(C)(C)C	2116683419	CHMMUSVFHUBYJL-OAHLLOKOSA-N	364.490	2.467	10	10	FECE	
CCn1c(S)nc2cc(C(=O)NCc3cc(O)ccc3O)ccc2c1=O	1303223594	WLJOYEQSLVQMRV-UHFFFAOYSA-N	371.418	2.046	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Cc3ccccc3)cc2)C1	1318222457	OTPXPMIDNFGURB-GOSISDBHSA-N	351.450	2.247	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc3c(c2)CCCO3)[C@@H](O)C1	1621039121	UQNBCNDRZACDKV-SJORKVTESA-N	362.470	2.472	10	10	FECE	
Cn1cc(-c2nc3n(c2NC(=O)Cc2ccc(O)c(O)c2)CCCC3)cn1	1180095093	OUTLGFAEFBSNBN-UHFFFAOYSA-N	367.409	2.212	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCN(Cc2ccno2)CC1	1349002744	QTHUMDSUCCUWBQ-UHFFFAOYSA-N	359.407	2.259	10	10	FECE	
CC1(C)C[C@](C)(NC(=O)NCc2cc(Br)ccc2O)C(=O)O1	1528375158	WKZFHTGLWGHDEJ-HNNXBMFYSA-N	371.231	2.438	10	10	FECE	
CCN(CC)c1ccc(Cn2c(C)nnc2N2CCC(C(N)=O)CC2)cc1	1547443033	ZTKSKDMGHAATSH-UHFFFAOYSA-N	370.501	2.183	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2N)N(C)C)cc1	1558723256	LCFXYJPJOKNVFQ-GOSISDBHSA-N	371.441	2.276	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)NCCCn2cccnc2=O)cc1	1568695642	JFJUETKEPDEVAT-UHFFFAOYSA-N	350.422	2.471	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)c3cnc(SC)nc3O)CC2)cc1	1636702294	LMRSXNAZGFZZOZ-UHFFFAOYSA-N	374.466	2.265	10	10	FECE	
CCc1cc(NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n2ncnc2n1	1652310224	RYCCJRJNVYSWMX-KRWDZBQOSA-N	353.474	2.468	10	10	FECE	
O=C(NCc1c(O)cccc1F)c1ccc(CN2C(=O)CCC2=O)cc1	1652295281	FXUXQPXETRLLJT-UHFFFAOYSA-N	356.353	2.110	10	10	FECE	
COC[C@H]1CN(c2nnc(C)n2CCCSc2nccs2)CCO1	1749542573	HYMUWLTZEPQOIE-CYBMUJFWSA-N	369.516	2.077	10	10	FECE	
Cc1cccc(CNC(=O)[C@@]2(C)COCCN2C(=O)OC(C)(C)C)c1O	2139764595	RPVXVXZUUSRIJW-LJQANCHMSA-N	364.442	2.343	10	10	FECE	
Cc1ccccc1C(=O)N1CCCN(C(=O)c2cc(O)c(O)c(O)c2)CC1	169846352	NUSPNJGRGJRLBB-UHFFFAOYSA-N	370.405	2.100	10	10	FECE	
COc1cccc(/C=C(/C(=O)Nc2ccc(N)cc2)n2nnnc2C)c1	160348977	UWHPUBPOGXWXNS-BOPFTXTBSA-N	350.382	2.209	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnc4c(c3)ncn4C)CC2)cc1F	160759264	HJNKCBWHRFHBLL-UHFFFAOYSA-N	369.400	2.078	10	10	FECE	
C[C@@H](O)[C@H](C(=O)O)N1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S	1858596010	MBLOVSPLEFDDTJ-SURQKKHASA-N	362.432	2.203	10	10	FECE	
CCCN(CCC(=O)OCC)C(=O)CCNCc1cc(C)ccc1O	1857864214	BLVCFQPWRSVQAT-UHFFFAOYSA-N	350.459	2.372	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](C2CN(C(=O)c3ccc(O)c(O)c3)C2)C1	1886884507	PEOMOAOKCKCGAU-CYBMUJFWSA-N	362.426	2.427	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)NCc2ccccc2O)N(C(=O)OC(C)(C)C)C1	1969155040	UDEVZSAQCJEDMY-KGLIPLIRSA-N	350.415	2.033	10	10	FECE	
COc1ccc(O)c(CNC2(C(N)=O)CCN(Cc3ccccc3)CC2)c1	2154498293	NXWUTHDJBWKFPP-UHFFFAOYSA-N	369.465	2.011	10	10	FECE	
COc1ccc([C@H](C)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c(O)c1	2032622525	HTJYSVKVACIWRJ-GLQYFDAESA-N	352.431	2.344	10	10	FECE	
C[C@H](N)c1ccc(N2CCS(=O)(=O)C(C)(C)C2)c(Br)c1	2170281266	YECQVUOJFGOLFZ-JTQLQIEISA-N	361.305	2.482	10	10	FECE	
CC(C)(C)OC(=O)N1CCSC[C@@H](NC(=O)Cc2ccc(N)cc2)C1	2044231658	RUYYLTMIPZALNT-HNNXBMFYSA-N	365.499	2.280	10	10	FECE	
CCOC1(C(=O)N2CCC(N=[N+]=[N-])CC2)CN(C(=O)OC(C)(C)C)C1	2060615353	NHWFSUGOORXHNM-UHFFFAOYSA-N	353.423	2.314	10	10	FECE	
COC[C@](C)(CC(=O)N1CC[C@H](CN=[N+]=[N-])C1)NC(=O)OC(C)(C)C	2060638834	BFZVMWCOCMRDDT-WBMJQRKESA-N	355.439	2.465	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)NCC2(CN=[N+]=[N-])CC2)N(C(=O)OC(C)(C)C)C1	2060611294	RLKPXLLQHOIUGM-NEPJUHHUSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)Nc1[nH]nnc1C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2060633188	KUIHFMFWSJRJMB-SECBINFHSA-N	350.383	2.457	10	10	FECE	
Nc1ccc(CC(=O)Nc2ncccc2I)cc1	2082435654	BBWOYTSMOIGPIR-UHFFFAOYSA-N	353.163	2.450	10	10	FECE	
CN(CCOc1ccc(N)cc1)C[C@@H]1COCCN1C(=O)OC(C)(C)C	2106764638	JQQPCOFAMBMKNX-MRXNPFEDSA-N	365.474	2.215	10	10	FECE	
C[C@@H](CN(C)C(=O)OC(C)(C)C)N(C)CC(=O)N(C)c1ccc(N)cc1	2111823066	RNBDHBSSYUSFIL-AWEZNQCLSA-N	364.490	2.419	10	10	FECE	
O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cnn(-c2ccccc2)c1	2297617448	TXEOOICTORMZEE-UHFFFAOYSA-N	362.345	2.127	10	10	FECE	
CN1CC[C@H]2[C@@H](CCCN2C(=O)C=Cc2ccc(N3CCOCC3)cc2)C1	2301553468	SYFRBVSCXOUCRD-FPOVZHCZSA-N	369.509	2.479	10	10	FECE	
CC(C)(C)OC(=O)N(CCO)CCC(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2319825368	VUVARBWYQGZYLX-ZDUSSCGKSA-N	355.439	2.297	10	10	FECE	
CN(C(=O)Cc1ccc(N)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F	2320552782	UDFUEIFYKBGDSW-HUUCEWRRSA-N	351.422	2.227	10	10	FECE	
C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)/C=C/c1ccc(O)c(O)c1	181276323	ZKWIWSGRHJEZCR-BUUCAEBMSA-N	365.389	2.026	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](c1cccnc1)C1CC1	808293787	DHJCCRQITPPMMZ-LJQANCHMSA-N	366.465	2.374	10	10	FECE	
CC(C)(C)N1C[C@H](C(=O)NCc2cc(Br)ccc2O)CC1=O	804736458	TZAGAJHDOOXLMC-LLVKDONJSA-N	369.259	2.418	10	10	FECE	
COCc1ccccc1CS(=O)(=O)Nc1ccc(O)c(C(=O)O)c1	806632892	VXIPNCQZSNRZMV-UHFFFAOYSA-N	351.380	2.179	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1coc2c1C(=O)NCCC2	906854489	FVCIWAQQPOCFSK-UHFFFAOYSA-N	355.394	2.061	10	10	FECE	
CCc1ccc(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1OC	835281795	GBNJDAXOULPZQI-GFCCVEGCSA-N	372.421	2.355	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCC(N(C)S(C)(=O)=O)CC2)cc1	835028454	RDVMCEXYRGXIFY-WAYWQWQTSA-N	351.516	2.122	10	10	FECE	
COCCOc1cccc(CNC(=O)NCc2cccc(OC)c2O)c1	745516854	WCULRVKZQMFFHS-UHFFFAOYSA-N	360.410	2.425	10	10	FECE	
Cc1cc(O)c(CNCc2ccc(S(=O)(=O)CCO)cc2)c(Cl)c1	840941801	MKTPRFQFKUYQNE-UHFFFAOYSA-N	369.870	2.410	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3cnc4n3CCCC4)C2)cc1	852317578	JWMRFZMHLLDBGL-HNNXBMFYSA-N	369.469	2.306	10	10	FECE	
COC(=O)Cc1cccc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	855224596	GGKIBENRBPTQLN-KRWDZBQOSA-N	368.433	2.419	10	10	FECE	
CN(C)c1ccc(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)cc1	755078287	AJQLLIHVDCMGSY-UHFFFAOYSA-N	351.447	2.436	10	10	FECE	
O=C(NCc1cc(NC(=O)[C@H]2CCC=CO2)ccc1O)[C@@H]1CCC=CO1	923121580	GRHAZMHFQRPBOM-DLBZAZTESA-N	358.394	2.332	10	10	FECE	
COCCN(C(=O)OC(C)(C)C)[C@@H](C(N)=O)c1ccc2c(c1)CCN2C	698397975	DHVWXAIHBVPYEZ-MRXNPFEDSA-N	363.458	2.089	10	10	FECE	
COC1(CS(=O)(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CCC1	866606061	RKSSEPODZCPDNJ-OAHLLOKOSA-N	368.499	2.073	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CCN(C(=O)CC(C)(C)C)CC2)c1O	774834125	BDWYWTJUIARUNU-UHFFFAOYSA-N	365.430	2.389	10	10	FECE	
COC(=O)c1c(CN(C)CCNC(=O)C(C)C)c2cc(F)ccc2n1C	894093546	FOHVGNFMYKUADN-UHFFFAOYSA-N	363.433	2.308	10	10	FECE	
CCn1cc([C@H]2C[S@@](=O)CCN2Cc2cc3c(cc2O)CCC3)cn1	792714709	FDZJMNBMIIYRRL-CJAUYULYSA-N	359.495	2.403	10	10	FECE	
Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)N[C@@H](C)c1ccccc1O	1151892258	MJMMTYRDQDUWFJ-ZDUSSCGKSA-N	368.437	2.394	10	10	FECE	
Cc1ccc(-c2nnc(S)n2CC(=O)NCc2c(O)cccc2O)cc1	1304050676	PTIHRVNTVMWFRN-UHFFFAOYSA-N	370.434	2.270	10	10	FECE	
COc1ccc(N2C[C@H](NC(=O)/C=C\c3ccc(O)c(O)c3)CC2=O)cc1	1165959344	IPXNEHVJMWAIJO-YZGHKGICSA-N	368.389	2.041	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)/C=C\c1cncc(O)c1	1162539350	CDTCPDGOMDURIA-FPLPWBNLSA-N	356.378	2.098	10	10	FECE	
CC(C)(C)OC(=O)NCC1(F)CC(CNC(=O)c2ccc(O)c(O)c2)C1	2118155036	QVSJSOFRACPHAX-UHFFFAOYSA-N	368.405	2.471	10	10	FECE	
CCN1CCC[C@@H]1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1256235951	BDQVJBIOHYGEBF-RTBURBONSA-N	361.534	2.139	10	10	FECE	
O=C(NCc1cccc(O)c1O)C1(OCc2ccccc2)CCOCC1	1347542742	QQSAFMIRUZUZRA-UHFFFAOYSA-N	357.406	2.480	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(-c3nc(=O)o[nH]3)c2)c1	1445963236	BDKFDXCDGKUKHD-SNVBAGLBSA-N	355.350	2.235	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC([C@H](C)O)C2)C1	1455069646	YNPGFNBAKDXCSZ-HNNXBMFYSA-N	355.482	2.247	10	10	FECE	
CN[C@H](c1ccccc1O)[C@](C)(O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	1921958826	ARVVXQHRKBEWKC-GPMSIDNRSA-N	366.458	2.040	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1ccc(F)c(-n2nnnc2C2CC2)c1	1628876037	LMSQGVGDOIOERK-UHFFFAOYSA-N	369.356	2.271	10	10	FECE	
CO[C@]1(Cn2c(CC3CC3)nnc2N(C)Cc2ccccc2O)CCOC1	1554722923	MFDTXCUOBCRHEL-FQEVSTJZSA-N	372.469	2.378	10	10	FECE	
Cc1cc(C(=O)Cn2cc(C(N)=O)nn2)c(C)n1-c1ccc2c(c1)CCC2	1643809596	FIDHHJNTRRTVJM-UHFFFAOYSA-N	363.421	2.156	10	10	FECE	
CCC(=O)NCC[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C	1757634730	RAGBFERPEHKFCZ-TZMCWYRMSA-N	359.430	2.473	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(CC2CC2)n1Cc1cnn(C)c1	1696701162	VTIWQSMVJMABRX-UHFFFAOYSA-N	352.442	2.354	10	10	FECE	
CN1CCN(Cc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2O)CC1	3631962	XPZJSNCMERDPCW-UHFFFAOYSA-N	370.409	2.300	10	10	FECE	
Nc1ccc(OCCCN2CCC[C@H](NC(=O)Cc3ccncc3)C2)cc1	586073165	WNLJLXBWMCWSAN-IBGZPJMESA-N	368.481	2.256	10	10	FECE	
CCOc1cccc(CNCCC(=O)N2CCCC[C@H]2CCO)c1O	1857864112	XNJZLNALJKNOKE-INIZCTEOSA-N	350.459	2.034	10	10	FECE	
C[C@@H](Nc1c(O)nc(=O)n(Cc2ccccc2)c1N)c1ccccc1O	1877578591	NQVFFFLMTZWYMD-GFCCVEGCSA-N	352.394	2.458	10	10	FECE	
Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1Cc1cc(F)cc(F)c1O	894019514	HRBKQYLDBHZYBE-KRWDZBQOSA-N	372.375	2.300	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)NCCN=[N+]=[N-])cn2)C1	1963817954	SCLWRNXMLBOZDA-CYBMUJFWSA-N	363.422	2.495	10	10	FECE	
C[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]1(O)[C@H](N)c1ccc2c(c1)CCCN2C	1887683380	INDAFYLTVFWDGY-ZLXGRDSLSA-N	361.486	2.439	10	10	FECE	
CCN[C@H](C)c1ccc(N2CC(S(C)(=O)=O)C2)cc1Br	2152284308	JBXOQPHIDBHCKI-SNVBAGLBSA-N	361.305	2.353	10	10	FECE	
COc1cc(Cl)cc(CN[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1O	2032630093	MEOKWHBTYNXKID-CHWSQXEVSA-N	372.849	2.436	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3NC(=O)c1ccc(O)c(O)c1	2169551153	IMKVRCPXZHDHHA-LVSLPLRBSA-N	374.437	2.472	10	10	FECE	
CSC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	2060350168	GBYXTEANCFHNJS-LBPRGKRZSA-N	370.471	2.013	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@H](CN=[N+]=[N-])C1)[C@@H]1CCOC1	2060621956	UBRGOVUGZGVREM-XQQFMLRXSA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(CCC(=O)Nc2ccc(N)cc2)[C@H]2C[C@@H]21	2106763478	GKUXRQAFGGUIKK-HOTGVXAUSA-N	360.458	2.291	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)CCc1ccc(N)cc1	2106707407	ORJRKFRRZOUJLI-BXUZGUMPSA-N	357.376	2.259	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]12CC[C@H]1CN(CC(=O)Nc1ccc(N)cc1)C2	2106758602	ZHCSVGCSKIZVEX-ORAYPTAESA-N	360.458	2.196	10	10	FECE	
CN1CCc2cc(CN[C@H]3COCC[C@@H]3NC(=O)OC(C)(C)C)ccc21	2092390148	HWXSEVYIDWWOBU-IRXDYDNUSA-N	361.486	2.451	10	10	FECE	
COc1ccc(O)c(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2CO)c1	2116268515	VLJJJXPPBQVKSZ-XJKSGUPXSA-N	366.458	2.108	10	10	FECE	
Cc1cc(CN)ccc1N1CC(CN2CCN(C(=O)OC(C)(C)C)CC2)C1	2236848041	OUXGXZFLTUYXCL-UHFFFAOYSA-N	374.529	2.443	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4C[C@]4(CN)C3)ccc(N)c2C1	2272655159	LRNARXNISZZZKF-RBZFPXEDSA-N	358.486	2.347	10	10	FECE	
CC(C)CN1C(=O)C(=CNc2cccc3cnccc23)C(=O)NC1=S	2295113156	AOBQGIUBLWVNIS-UHFFFAOYSA-N	354.435	2.430	10	10	FECE	
Cc1ccc(N2NC(=O)C(=Cc3ccc(N(C)C)c([N+](=O)[O-])c3)C2=O)cc1	2296738384	NLBFRJQFQSPYPV-UHFFFAOYSA-N	366.377	2.431	10	10	FECE	
O=C1NC(=S)N(c2ccccc2)C(=O)C1=Cc1ccc([N+](=O)[O-])s1	2296933587	VYFLSDOIBJEZJP-UHFFFAOYSA-N	359.388	2.488	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N[C@H](CN1CCOCC1)c1ccccc1	2307982016	KCMOCFDTDABMRS-GOSISDBHSA-N	368.433	2.301	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1	2308009239	GZTTYMAXMVDYST-GFCCVEGCSA-N	374.343	2.311	10	10	FECE	
Cc1cccc(O)c1CNC[C@H]1CN(C(=O)OC(C)(C)C)[C@H]2CCN1C2	2342850550	LLUVRCIBHCYREG-HOTGVXAUSA-N	361.486	2.484	10	10	FECE	
COc1cccc(CNC(=O)c2cccc(CN3CCCC3=O)c2)c1O	105652964	UVBXRWZUVJEOHS-UHFFFAOYSA-N	354.406	2.453	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC1CCC(S(C)(=O)=O)CC1	175498831	PYBRAQZDLIPYCK-UHFFFAOYSA-N	367.515	2.250	10	10	FECE	
O=C1C[C@H]([C@H]2CCCCN2C(=O)NCCCSc2nccs2)CN1	123436383	QYHDLWXLVPYFQG-QWHCGFSZSA-N	368.528	2.326	10	10	FECE	
CC[C@@H](NC(=O)c1cc(C)n(-c2ccccc2)c1C)C(=O)N1CCOCC1	84274272	KXVJIAJOFGPGPL-LJQANCHMSA-N	369.465	2.461	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)c1C	366754599	QGOXSHFDTDKJPQ-IEBWSBKVSA-N	367.449	2.132	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)[C@H]1CCc2nccn2C1	804736216	NQRLIVSWYWWGMV-JTQLQIEISA-N	350.216	2.230	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)C[C@H]3CCOC[C@@H]3OC)C2)cc1	819590569	KWPTUZOLJOFQCT-MDZRGWNJSA-N	362.470	2.079	10	10	FECE	
COc1ccc(N2CC[C@@H](NCCN3C(=O)c4ccccc4C3=O)C2)cc1	826846552	VXLVJBYMKXECML-OAHLLOKOSA-N	365.433	2.160	10	10	FECE	
Cc1cc(Br)c(O)c(CNC[C@@H]2CCCCN2CCO)c1	824582621	BKUFYIRQVDWSDE-AWEZNQCLSA-N	357.292	2.400	10	10	FECE	
COC(=O)c1ccc(CNC(=O)c2c(F)ccc(O)c2O)nc1C1CC1	828074075	WDSALGXCRKJREB-UHFFFAOYSA-N	360.341	2.226	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H](C)[C@@H]1CCCO1	907220972	NNYXQEVWFDSUIK-NHYWBVRUSA-N	355.818	2.362	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](Cc1cncs1)C(=O)O	909043231	OUJMTLUMOHQQGW-HNNXBMFYSA-N	362.455	2.013	10	10	FECE	
COC[C@@](C)(O)CNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C	732699892	DKYGKECXWVYSEC-FQEVSTJZSA-N	359.470	2.333	10	10	FECE	
CN(C)c1ccc(/C=C\CNCCNS(=O)(=O)Cc2ccccc2)cc1	835036389	PUHDVAVFYSFQKB-TWGQIWQCSA-N	373.522	2.475	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2cccc(-n3cncn3)c2)cc1	844854163	PNKBJAVUGPNHPE-UHFFFAOYSA-N	365.437	2.484	10	10	FECE	
O=S(=O)(Nc1ccc(-n2cncn2)c(F)c1)c1cc(F)cc(F)c1O	753018147	UDGYYQWTCVUXSO-UHFFFAOYSA-N	370.312	2.191	10	10	FECE	
Cc1cc(CC(=O)N[C@H](CO)c2ccnn2C)c(C)n1-c1ccccc1	854914349	PXUAXAJMPYMUGB-GOSISDBHSA-N	352.438	2.220	10	10	FECE	
CCNC(=O)NC1(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCCC1	855230600	QBRPWWWRYWEDEN-OAHLLOKOSA-N	374.485	2.022	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C[C@@H](O)Cc3ccccc3)C2)cc1	855227480	WZMLFXZPQSPQRF-MJGOQNOKSA-N	354.450	2.384	10	10	FECE	
O=C(NCCO[C@@H]1CC1(F)F)NCc1cc(Br)ccc1O	852527991	PKAIQAJXIDXSQM-LLVKDONJSA-N	365.174	2.378	10	10	FECE	
CNCCOCCNC(=O)NCc1ccc(N(C)C2CCCCC2)cc1	861567257	DKXLSZIBNYEFIB-UHFFFAOYSA-N	362.518	2.491	10	10	FECE	
O=C1[C@H]2c3ccoc3CCN2C(=O)N1Cc1ccc(N2CCOCC2)cc1	863501270	KSYLWPCIOGYPFT-GOSISDBHSA-N	367.405	2.178	10	10	FECE	
CO[C@H](CS(=O)(=O)NCc1ccc(O)cc1O)c1ccc(F)cc1	867417433	VGPCZLYYTNHZSA-MRXNPFEDSA-N	355.387	2.044	10	10	FECE	
Cc1cc(CCNC(=O)N[C@@H]2C(=O)NCC[C@H]2C)c(C)n1-c1ccccc1	799399275	FXYDATAPMOXSKA-KUHUBIRLSA-N	368.481	2.460	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)NCc2ccccc2O)OC(C)(C)C1	2124325106	RXUWPMRZUWDZTR-OAHLLOKOSA-N	364.442	2.423	10	10	FECE	
C[C@H](N=c1nc([C@@H](C)NC(=O)OC(C)(C)C)[nH][nH]1)c1cc(O)ccc1O	2130119292	OXVJBOFZMSNUGD-VHSXEESVSA-N	363.418	2.397	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(C2CCOCC2)nn1C	1346519248	HTOHDSOSLIVZEB-GFCCVEGCSA-N	359.426	2.086	10	10	FECE	
CN1C[C@@H]2CC[C@@H](NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)[C@H]2C1	1346790172	CNCTYKOGOOVVMJ-YSIASYRMSA-N	372.513	2.005	10	10	FECE	
COC(=O)C1(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC(CO)C1	1351081967	JJBHZHDPPYYZFW-UHFFFAOYSA-N	370.449	2.446	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(Nc2nn[nH]n2)c1	1633341028	QOJRRZOKLMRKFO-UHFFFAOYSA-N	351.414	2.248	10	10	FECE	
CCOCn1nc(C)c(C[C@@H](C)C(=O)NCc2cc(O)ccc2O)c1C	1637126253	PXBAOXVMKZJRRT-GFCCVEGCSA-N	361.442	2.400	10	10	FECE	
Cc1cc(CC(=O)N[C@@H]2C[C@H](O)[C@H](O)C2)c(C)n1-c1ccc(Cl)cc1	1652215801	ICHGQALCKCODNM-VBUUOAMHSA-N	362.857	2.290	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1cccc(C)c1O	2139761438	YGBRZURGIZWCBQ-CABCVRRESA-N	364.442	2.199	10	10	FECE	
CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NCc2cccc(C)c2O)C1	2139745757	LIDGMBCTLCVACU-DHFPXDALSA-N	364.442	2.389	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)NCc2cccc(C)c2O)N(C(=O)OC(C)(C)C)C1	2139741699	ODOZYYBEGOBLSH-CABCVRRESA-N	364.442	2.341	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccnc1-n1cccn1	152976551	SVRXHTRSOHWOCB-GFCCVEGCSA-N	353.382	2.431	10	10	FECE	
O=C1CO[C@@H](COC(=O)CCn2c3c(c4ccccc42)CCCC3)CCN1	1849451077	BKSSVMVJCHHISZ-OAHLLOKOSA-N	370.449	2.359	10	10	FECE	
Nc1ccc(-n2ccc(C(=O)NCC3CN(Cc4ccccc4)C3)n2)cc1	716242894	HHRQQMHOADEVIB-UHFFFAOYSA-N	361.449	2.316	10	10	FECE	
CN(CCCOCc1ccccc1)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1	384143443	BWZFEXHJZVYKBF-KRWDZBQOSA-N	358.438	2.033	10	10	FECE	
CN(C)c1ccc([C@H](N)c2cn(C)nc2I)cc1	2044751844	FWRXWZBBORHCCV-LBPRGKRZSA-N	356.211	2.139	10	10	FECE	
CN1CCc2cc([C@H](CN)N(C)CC3CN(C(=O)OC(C)(C)C)C3)ccc21	2194895343	GVAJIJIQJDRTAH-IBGZPJMESA-N	374.529	2.477	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2060639992	OGLUVFXPUCLFHE-ZDUSSCGKSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2060632876	GZEAGXODTVWIMG-CHWSQXEVSA-N	353.423	2.314	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)c1nc(=NCc2c(O)cccc2F)[nH][nH]1	2066591820	KUAZRVPRYDSMDQ-SECBINFHSA-N	351.382	2.269	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@H]2[C@H]1[C@@H]2NC(=O)COc1ccc(N)cc1	2106254601	AYSXDIQWETZOLA-OIISXLGYSA-N	361.442	2.162	10	10	FECE	
C[C@@H](NCCc1ccc(O)c(O)c1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	2091761604	ZMHZBELHIVAVFG-DYVFJYSZSA-N	366.458	2.254	10	10	FECE	
CC(C)S(=O)(=O)C[C@H](C)NCc1cccc(Br)c1O	2114188441	FYKBRLLUFQNXQN-JTQLQIEISA-N	350.278	2.456	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)NC[C@H](O)c1ccccc1	2299848215	NWIGUAZVBUIYAH-FQEVSTJZSA-N	352.434	2.386	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C=Cc1cncc(O)c1	2308021653	ZSVNIZCIQKNBKJ-UHFFFAOYSA-N	353.422	2.296	10	10	FECE	
CC(C)(C)OC(=O)N(CCO)CCC(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2319869926	HUHJEQOYZFSTIM-CYBMUJFWSA-N	355.439	2.155	10	10	FECE	
O=C(CN1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1)Nc1ccccc1	170908185	YRXPIUIBHTVCMG-UHFFFAOYSA-N	370.409	2.057	10	10	FECE	
CN1C(=O)CC[C@@H](C(=O)NCCc2ccc(O)c(O)c2)[C@H]1c1ccccc1	179093757	ZBSXEYKHNCQYEN-OXQOHEQNSA-N	368.433	2.366	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O[C@@H](N)Cc2ccc(O)c(O)c2)CC1	1952481681	VHSJYKJJUILPJR-MRXNPFEDSA-N	352.431	2.341	10	10	FECE	
O=C(c1ccc(O)c(O)c1)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21	404158057	IFGCDGCMZFSTHE-YLJYHZDGSA-N	368.433	2.213	10	10	FECE	
CC(C)C(=O)N1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	46984164	VPXINXXMJXIAIQ-UHFFFAOYSA-N	358.486	2.297	10	10	FECE	
CCCCN(C(=O)[C@H](C)Sc1nccs1)[C@@H]1CCS(=O)(=O)C1	194357003	NDRFZEBLQSWHRX-NWDGAFQWSA-N	362.542	2.440	10	10	FECE	
COc1ccc(N2CCN(c3cc(NCCN(C)C)nc(C)n3)CC2)cc1	242840547	FVTCVORIOXQRST-UHFFFAOYSA-N	370.501	2.094	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N1C[C@@H]2CCC[C@H](C1)C2O	255472585	FUJBOPIOLGXZSJ-OCKPNISMSA-N	356.466	2.156	10	10	FECE	
CS(=O)(=O)N1CC[C@@H](CN(Cc2ccccc2O)C2CCCC2)C1	801517037	JNNSWQVRGKYBJR-HNNXBMFYSA-N	352.500	2.418	10	10	FECE	
CN(C(=O)CN1CC[C@@]2(CCN2C(=O)OC(C)(C)C)C1)c1ccc(N)cc1	2163036734	SQJIJJUPBHKCON-HXUWFJFHSA-N	374.485	2.317	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)[C@H]1CCc2n[nH]cc2C1	804738427	PSZGCVNFKLIFOW-VIFPVBQESA-N	350.216	2.299	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)[C@@]23[C@@H]4[C@H]5C(=O)[C@H]2[C@@H]2[C@@H]5C[C@@H]4[C@H]23)cc1	800433371	RKFFWXOYNNAQGD-KGPBHAMUSA-N	350.462	2.476	10	10	FECE	
COC(=O)c1c(F)ccc(NS(=O)(=O)c2cccc3nonc23)c1C	811710024	XRKIFEODADPHPT-UHFFFAOYSA-N	365.342	2.258	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@H](O)CC12CCC2	817156142	GSTARUQPCLHYHO-SFHVURJKSA-N	359.470	2.112	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H](N=[N+]=[N-])CC1)C1(O)CCC1	2131455976	CRWTXAHFCYXTAE-QWHCGFSZSA-N	367.450	2.486	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H](CN)c3ccc(F)cc3)CC2)cc1	825727972	LTXOFUFNNGEIMR-IBGZPJMESA-N	357.429	2.225	10	10	FECE	
CC1(C)CCC[C@@H](CS(=O)(=O)NNc2nc3ccncc3s2)O1	901691748	CTEQXLBXEYCNBU-JTQLQIEISA-N	356.473	2.285	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3nn(C)c4c3CCCC4)C2)cc1	855227599	YMRCQJFUPOZXNM-AWEZNQCLSA-N	354.454	2.316	10	10	FECE	
COc1cccc(CNC(=O)c2cc(C)n(-c3ccn(C)n3)c2C)c1O	857102489	BGFNOWIECDRXCB-UHFFFAOYSA-N	354.410	2.472	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H]1CCN(C2CCC2)C1=O	858542814	BZNXMTNFXHOAGZ-BEFAXECRSA-N	372.513	2.445	10	10	FECE	
Cc1cnn(C)c1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	850344895	ASOUYESQJHJWNB-UHFFFAOYSA-N	369.469	2.316	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCCOCC(F)(F)F)C2)cc1	851973032	XNCPBKCNWZSLFP-LBPRGKRZSA-N	361.364	2.152	10	10	FECE	
COCc1nnc(NCc2ccc(N3CCC(O)CC3)c(F)c2)s1	763341209	YRJBJKSVRLILIH-UHFFFAOYSA-N	352.435	2.397	10	10	FECE	
COC(=O)[C@@H]1[C@H](CNC[C@H]2CCN(c3ccc(OC)cc3)C2)C1(F)F	895051970	UNITYXCHLIYCEB-KCXAZCMYSA-N	354.397	2.165	10	10	FECE	
CCOc1ccc(O)c(CNc2ccc3c(c2)CN(CC(N)=O)CC3)c1	788528453	CXSXNCTWJXMRBF-UHFFFAOYSA-N	355.438	2.246	10	10	FECE	
COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)c1cc2cc(O)c(O)cc2s1	898807563	BIKWTTOTSZUEOQ-MNOVXSKESA-N	365.407	2.105	10	10	FECE	
C[C@@H](OCc1ccccc1)[C@@H](NC(=O)CCc1ccc(N)cc1)C(=O)O	706026474	JUDJFJNBBUHJTL-AUUYWEPGSA-N	356.422	2.376	10	10	FECE	
COC(=O)C[C@](C)(NC(=O)c1ccc(N=NC(N)=O)cc1)c1cccnc1	1160197407	IMXZGESSUCWBCL-SFHVURJKSA-N	369.381	2.452	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1	2126923439	ZOTRWXCACIMQII-DJJJIMSYSA-N	364.442	2.284	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CN(C(=O)OC(C)(C)C)C1	2124536043	ZEHREOHRBOWZNJ-HZSPNIEDSA-N	367.450	2.417	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)N3CC[C@@H](C(C)C)C3)C2)cc1	1325939076	BXIGWPKMGPYLJA-IAGOWNOFSA-N	373.497	2.142	10	10	FECE	
CC1(NC(=O)OC(C)(C)C)CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1	2132393394	UQDKKZRIKJQGGJ-UHFFFAOYSA-N	366.414	2.323	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)NC[C@@]12CCCC[C@H]1C2	1334643533	LHCIXOSMXLIMJT-LRDDRELGSA-N	353.513	2.438	10	10	FECE	
C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1c1ccnn1C)c1ccc(N(C)C)cc1	1262269755	FKJBMKGAAXAZFT-RDTXWAMCSA-N	369.469	2.027	10	10	FECE	
CN(CCS(C)(=O)=O)c1ccc(C=CC(=O)O)c(Br)c1	1911858551	MVDKDMFOYSWPSN-UHFFFAOYSA-N	362.245	2.028	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cc(F)ccc3N)cc2)C1	1544929659	KGGQREAXGDPYKV-CQSZACIVSA-N	370.428	2.040	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)c1nc(Br)c2ccccn12	1630272613	BTOMYGUCBYPULX-UHFFFAOYSA-N	362.183	2.438	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1CCN1CCSCC1	1498674542	BMLNLGVXIAWWPJ-UHFFFAOYSA-N	361.515	2.231	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1cnn2cccc(Br)c12	1645366590	UKMJORTWYKTQJQ-UHFFFAOYSA-N	362.183	2.438	10	10	FECE	
CCCCOc1ccc(C(=O)NCC(=O)NCc2ccc(O)cc2O)cc1	1643101149	WWCSMLHRRIXNKV-UHFFFAOYSA-N	372.421	2.323	10	10	FECE	
O=C(Cc1cc(F)ccc1O)NCc1ccc(N2CCC(O)CC2)cc1	1585539656	OQWJPKIHNNUSTD-UHFFFAOYSA-N	358.413	2.351	10	10	FECE	
CS(=O)(=O)c1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)cc1	1583485793	XKRDDRUCLGASCQ-UHFFFAOYSA-N	360.395	2.183	10	10	FECE	
C[C@H](CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1)N1CCN(C)CC1	1685806057	MXFVYXBRDUEZHC-GOSISDBHSA-N	373.545	2.064	10	10	FECE	
COc1cc(C)cc(CN2CCN(c3ccc(CN(C)C)cn3)CC2)c1O	164382494	USLJPTGPLHCYNG-UHFFFAOYSA-N	370.497	2.488	10	10	FECE	
Nc1ccc(CC(=O)N(CCCS(=O)(=O)O)C2CCCCC2)cc1	1866324205	MQUNSHXKCHWWLG-UHFFFAOYSA-N	354.472	2.251	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1	1964873217	FLZHSFSVLWAFMO-GOEBONIOSA-N	364.442	2.423	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNCc2cccc(Cl)c2O)C1	702821625	ZFQXONUYYLIPAX-GXTWGEPZSA-N	356.850	2.363	10	10	FECE	
CC(C)(C)OC(=O)N1CCCO[C@@H](CNCc2ccc(O)c(O)c2)C1	389901316	NZCDWXAJTLHKSJ-AWEZNQCLSA-N	352.431	2.213	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCCN(S(=O)(=O)Cc2ccc(N)cc2)C1	2044594085	OBPRZMCJEWXCTJ-HNNXBMFYSA-N	369.487	2.088	10	10	FECE	
CN(CC[S@@](C)(=O)=NC(=O)Cc1ccc(N)cc1)C(=O)OC(C)(C)C	2044646706	SLPGBXSWMRLUBJ-RUZDIDTESA-N	369.487	2.303	10	10	FECE	
COC[C@@H](CC(=O)N1CCC[C@H](CN=[N+]=[N-])C1)NC(=O)OC(C)(C)C	2060617892	SJSSOLLOQOXGHV-CHWSQXEVSA-N	355.439	2.465	10	10	FECE	
COC1(CNC(=O)OC(C)(C)C)CC(C(=O)N2CC[C@H](N=[N+]=[N-])C2)C1	2060635115	IBOZVHDQDRQBTL-BGMSHATGSA-N	353.423	2.218	10	10	FECE	
C[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	2069845698	RUMZKZSPCUEFIX-QMTHXVAHSA-N	356.394	2.008	10	10	FECE	
CCOC(=O)c1ccc(N2NC(=O)C(=CC=Cc3ccco3)C2=O)cc1	2297307873	BIBATJXGPBHLPB-UHFFFAOYSA-N	352.346	2.474	10	10	FECE	
COc1ccc(C=C2C(=O)NN(c3ccccc3)C2=O)c(OC)c1OC	2297329252	MCRVOLFLXNSEQJ-UHFFFAOYSA-N	354.362	2.174	10	10	FECE	
Cc1ccc(-n2c(C)cc(C=CC(=O)N[C@H]3CCC(=O)NC3=O)c2C)cc1	2302473363	OYYZMUKSKAMIPU-SFHVURJKSA-N	365.433	2.337	10	10	FECE	
Nc1ccc(CCOCc2ncc(I)cn2)cc1	2328059037	TXQLMPIDVVPXKM-UHFFFAOYSA-N	355.179	2.423	10	10	FECE	
Cn1nccc1NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	124609941	ZXRLNHAZISNGLU-UHFFFAOYSA-N	368.485	2.274	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1	132561662	RMVVDMFJFPVSNK-QZTJIDSGSA-N	373.453	2.380	10	10	FECE	
COCc1ccc(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)o1	190236160	YEWRFULUWPAJJI-UHFFFAOYSA-N	371.437	2.025	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN(C)c3ccccc3O)CC2)cc1	190243288	SEALZYWLVPLBAL-UHFFFAOYSA-N	355.438	2.186	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O	249390952	BREICVMSDHZRBI-OBQKDBCYSA-N	373.522	2.151	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)CCC(F)(F)F)CC2)cc1	266237941	DMSVEVCOLFDGIY-UHFFFAOYSA-N	359.392	2.276	10	10	FECE	
CN[C@@H](CN1CCN(C(=O)OC(C)(C)C)CC1)c1ccc2c(c1)CCN2C	2163141823	YPNQWQDRIPXNPG-SFHVURJKSA-N	374.529	2.492	10	10	FECE	
O=C(CCNC(=O)c1ccco1)NCc1cc(Br)ccc1O	804736955	GJRXNILTCSRKBK-UHFFFAOYSA-N	367.199	2.184	10	10	FECE	
Cc1ccc(C(=O)N2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c(O)c1O	804201960	ILYMQSQOGWKKTF-LLVKDONJSA-N	374.359	2.327	10	10	FECE	
O=S(=O)(C1CC1)N1CCCN(Cc2cc(Cl)cc(F)c2O)CC1	802658460	CCGSIWLZATWEAA-UHFFFAOYSA-N	362.854	2.185	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN[C@H]3CC4CCC3CC4)CC2)cc1	814653488	YJZZQTKAIUKFEP-IQDQWBFVSA-N	373.541	2.346	10	10	FECE	
COc1ccc(N2CCN(CCN=c3cc[nH]c4cccnc34)CC2)cc1	814833059	WCQIJONBABJAHH-UHFFFAOYSA-N	363.465	2.294	10	10	FECE	
COc1ccc(N2CCN(CCCN[C@@H]3CO[C@@H](C4CC4)C3)CC2)cc1	825063439	DZESKPPZEXISKB-GHTZIAJQSA-N	359.514	2.364	10	10	FECE	
Cc1cc(O)c(CN2CCN([C@H]3CCNC(=O)CC3)CC2)cc1Cl	826097335	YUDPSLXHDPTCKH-OAHLLOKOSA-N	351.878	2.140	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CC[C@H]2CCCCN21	900269312	MQSTXSUBBMWDIG-VQIMIIECSA-N	361.461	2.295	10	10	FECE	
CCS(=O)(=O)N1CCN(C/C=C\c2ccc(N(C)C)cc2)[C@H](C)C1	835054187	RZZMBTVHDLGHMS-MWWKQMNYSA-N	351.516	2.122	10	10	FECE	
CN1CCN(c2ccc(CN3CCCC[C@@H]3[C@@H]3C[C@H](N)CCO3)cc2)CC1	844910443	IIYCCOVAADVUMS-FCEUIQTBSA-N	372.557	2.299	10	10	FECE	
COc1ccc(N2CC[C@@H](N3C(=O)[C@H](CCSC)NC3=S)C2)cc1	849169523	FWVKUXDOKJRPBX-HIFRSBDPSA-N	365.524	2.112	10	10	FECE	
COc1ccc(N2CC[C@H](N3C(=O)N[C@@H](CC4CCOCC4)C3=O)C2)cc1	924977075	FVESFJQEAYSWIB-WMZOPIPTSA-N	373.453	2.011	10	10	FECE	
C[C@H](NC[C@@H](O)[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1Cl	858468010	BHUKFMPOLVUTAU-MORSLUCNSA-N	354.878	2.367	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccnn3CC(F)(F)F)C2)cc1	855227527	XHLXNXNHWBTBHC-LBPRGKRZSA-N	368.359	2.463	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCCC[C@H]3C(N)=O)C2)cc1	854300017	OEGLPZWNJSDFGI-QGTPRVQTSA-N	374.485	2.007	10	10	FECE	
CCCc1nc(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)co1	759630590	CJAYGDWDZKGOCO-UHFFFAOYSA-N	372.469	2.188	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cncc3c2CCCC3)cc1F	850360676	MNTJDURJPXAUOV-UHFFFAOYSA-N	370.428	2.420	10	10	FECE	
C[C@@H]1C[C@@H]1c1noc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)n1	866023924	XMISNXOXRMTRMB-WBMJQRKESA-N	356.426	2.084	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCN3C(=O)OCC[C@@H]3C2)cc1	763476114	BRJMRIBOEGHFLR-QGZVFWFLSA-N	360.458	2.269	10	10	FECE	
COc1ccc(N2CCC(NC(=O)[C@@]3(CC(C)C)CCNC3=O)CC2)cc1	865115056	BQCBQYSTIHCISC-OAQYLSRUSA-N	373.497	2.333	10	10	FECE	
CN1CCCc2cc(CN3C(=O)N[C@H](Cc4ccccn4)C3=O)ccc21	761181183	SHEXJQFWRQOMOQ-QGZVFWFLSA-N	350.422	2.127	10	10	FECE	
Cc1ccnn1CC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	860534569	HNMRCHWCBUDICN-UHFFFAOYSA-N	367.497	2.040	10	10	FECE	
CN(C)C1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCOCC1	896354670	MFLGOHARDORCOJ-UHFFFAOYSA-N	350.440	2.153	10	10	FECE	
O=C(NCc1cccc(Br)c1O)c1ccc2nc(O)[nH]c2n1	1139975024	RLGVLTABRPPDKA-UHFFFAOYSA-N	363.171	2.062	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCN(C[C@@H](C)O)C[C@H]2C)c1	793586127	GCJFXPWLOMTDNB-CHWSQXEVSA-N	357.292	2.350	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3C[C@@H]4CCC[C@H](C3)C4O)C2)cc1	1325947937	KXLBJYHDSGGMHS-BXVXDWSXSA-N	373.497	2.324	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)C1	2124537708	AYRVKSMEZHAPEF-MGPQQGTHSA-N	367.450	2.153	10	10	FECE	
CCCN(CCNC(=O)Cc1ccc(O)c(O)c1)C(=O)OC(C)(C)C	1447070091	LMWYERJZHXMAGY-UHFFFAOYSA-N	352.431	2.404	10	10	FECE	
C[C@@](O)(CSc1cccc(F)c1)C(=O)NCc1cccc(O)c1O	1455316054	NERCZLJBQLQPTL-QGZVFWFLSA-N	351.399	2.396	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CC(=O)NCc1cccc(O)c1O)C1CC1	1455314122	FEXIRHNEBOOWRL-ZDUSSCGKSA-N	350.415	2.407	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)c1coc2c1C(=O)NCCC2	1627072667	DGAJBBKETPWUGT-UHFFFAOYSA-N	351.362	2.139	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)c2nnn3cc(C)nc(O)c23)cc1F	1633263646	LDGOYYHBBYESIX-UHFFFAOYSA-N	372.404	2.054	10	10	FECE	
C[C@@H](NC(=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1)c1ccccc1O	1632246110	AGYNUDLASCJYPI-SNVBAGLBSA-N	366.377	2.029	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc2n[nH]cc2c1	1643245272	MPTPKTILGJFUNL-UHFFFAOYSA-N	353.378	2.474	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN3C[C@H]4CCC[C@H]3C4)CC2)cc1	1648551370	XEYAYQJMHQAREG-IHPCNDPISA-N	359.514	2.053	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCN(c2ccncc2)C1	1641192712	DTYUSNCOFPEKKU-GOSISDBHSA-N	366.465	2.061	10	10	FECE	
CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)NCCN=[N+]=[N-])C1	1963815653	AYSAJPYELGAWOL-YOEHRIQHSA-N	361.402	2.229	10	10	FECE	
CS(=O)(=O)[C@@H]1CCCN(c2ccc(CN)c(Br)c2F)C1	312858424	RKLTWDIVRFFELP-SNVBAGLBSA-N	365.268	2.060	10	10	FECE	
NCc1ccc(N2CCC[C@@]23CCS(=O)(=O)C3)c(Br)c1	2158462037	JMAWUZLBCOWPDE-AWEZNQCLSA-N	359.289	2.065	10	10	FECE	
CN(Cc1nccs1)c1cc2c(cc1Br)[C@H](N)C(=O)N2	387272748	HPVZJJADZRFTPI-LBPRGKRZSA-N	353.245	2.494	10	10	FECE	
CCNCc1ccc(N2CC[C@H](S(C)(=O)=O)C2)cc1Br	2179912381	YNBQMNOYLQBVKD-ZDUSSCGKSA-N	361.305	2.182	10	10	FECE	
O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1	2188867999	KLLRESPXNTYZAI-RDJZCZTQSA-N	368.433	2.398	10	10	FECE	
C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1[C@H](CN)c1ccc(N(C)C)cc1	2194745262	QMSBVGMFUJXYEC-XNRPHZJLSA-N	372.435	2.284	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@]2(COCCN2CCCN=[N+]=[N-])C1	2054256218	VIFAFWPBCCLGNF-MRXNPFEDSA-N	355.439	2.025	10	10	FECE	
C[C@@H](COCC(=O)N(C)Cc1ccccc1O)NC(=O)OC(C)(C)C	2060418451	MCTYLTQCZMSKTA-ZDUSSCGKSA-N	352.431	2.280	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060619231	KOLQMQUFFNFCJP-AGIUHOORSA-N	353.423	2.170	10	10	FECE	
CO[C@H]1CN(Cc2cc(N)ccc2O)[C@](C)(CNC(=O)OC(C)(C)C)C1	2106682467	VBKFYFSGXDJMQX-BEFAXECRSA-N	365.474	2.479	10	10	FECE	
CC(C)(C)OC(=O)N1CCC2(C1)CN(c1cc3c(cc1N)OCCO3)C2	2106707936	UKJRQHXAQYQXBD-UHFFFAOYSA-N	361.442	2.487	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-])C1(O)CCC1	2218736537	ZUNWPCAHFBASBV-GRYCIOLGSA-N	353.423	2.142	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](NC(=O)c2ccc(O)c(O)c2)C1	2219127286	QXENRBHBJZLPTN-NWDGAFQWSA-N	354.378	2.175	10	10	FECE	
COc1ccc(Br)c(CN2CC3(C2)CS(=N)(=O)C3)c1O	2236044332	NQPQTUMZCQSARR-UHFFFAOYSA-N	361.261	2.026	10	10	FECE	
CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)N3CCC(CN=[N+]=[N-])CC3)(C1)C2	2266049288	LWXXKZUMZPTKRS-QAQDUYKDSA-N	365.434	2.362	10	10	FECE	
CN(C)c1ncccc1CNC(=O)C=Cc1ccc(N2CCOCC2)cc1	2297505814	VHEONUDWTJZXET-UHFFFAOYSA-N	366.465	2.314	10	10	FECE	
CSc1ncc(CNC2CC(NC(=O)OC(C)(C)C)(C(=O)O)C2)s1	2300149133	UHXODVVEAHASMX-UHFFFAOYSA-N	373.500	2.465	10	10	FECE	
Cc1cc(C(=O)CN[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc(F)cc1	62658146	KJKSVSCEVMYSLY-OAHLLOKOSA-N	364.442	2.193	10	10	FECE	
CCOC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(O)c(O)c(O)c1	170190550	HCOQMKBKYBWABZ-GFCCVEGCSA-N	359.378	2.397	10	10	FECE	
Cc1cc(C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c(C)n1-c1ccccc1	180695598	OMYUKSKPMBPWAM-HKUYNNGSSA-N	369.465	2.460	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3CCCN(C)C(=O)C3)c2C)cc1	189791258	BRMUXVXPADHTHQ-UHFFFAOYSA-N	355.438	2.407	10	10	FECE	
CC(C)c1ccc2c(c1)CCCN2C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O	221638758	LAAYIIXCQPPKQG-NTMALXAHSA-N	367.449	2.200	10	10	FECE	
Nc1ccc(OCCS(=O)(=O)Nc2ncccc2Br)cc1	91272087	MAAPYWCWPCIAFC-UHFFFAOYSA-N	372.244	2.247	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)c1O	278302424	WAMPXWGLMIZDIL-GFCCVEGCSA-N	352.387	2.473	10	10	FECE	
CN1CCCc2cc(CNC(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)ccc21	287655022	VDYILWPXHKIXFJ-FUHWJXTLSA-N	363.502	2.026	10	10	FECE	
O=S(=O)(CC[C@H]1CCOC1)NCc1cc(Br)ccc1O	815044437	CHWBHFLGIHCPPQ-SNVBAGLBSA-N	364.261	2.001	10	10	FECE	
Cc1cc(CC(=O)Nc2ccn(CCC(N)=O)n2)c(C)n1-c1ccccc1	828098785	CGUCDZLEGIGEMT-UHFFFAOYSA-N	365.437	2.347	10	10	FECE	
CN(C)c1ccc(/C=C/CNC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1	835054018	QWYWJHJAYFBPHH-BUPXIBQPSA-N	365.543	2.463	10	10	FECE	
CCCn1cc([C@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)nn1	902759453	XWEGWFFSTRFGOE-RDJZCZTQSA-N	370.501	2.241	10	10	FECE	
CCc1nccn1[C@H](C)CC(=O)NCc1ccc(N2CCN(C)CC2)cc1	918838297	DTOPSGHOKVDITJ-QGZVFWFLSA-N	369.513	2.465	10	10	FECE	
O=C(NCc1ccccc1CN1CCOCC1)NCc1c(O)cccc1F	913926961	QYBTXAIVGPYHJS-UHFFFAOYSA-N	373.428	2.363	10	10	FECE	
C[C@H](NC[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(N2CCOCC2)c(F)c1	848570459	LJBMMMUOONCKTG-XJKSGUPXSA-N	363.433	2.296	10	10	FECE	
Cc1cc(O)c(CN2CCC[C@@H](N3CCCS3(=O)=O)C2)c(Cl)c1	840941330	XHTWDPNJEYDUIH-CYBMUJFWSA-N	358.891	2.354	10	10	FECE	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccnn2CC2CCC2)c1	914154123	UZXLTUGPRGNFKI-GFCCVEGCSA-N	365.455	2.437	10	10	FECE	
Cc1cc(CCNC(=O)C[C@@H]2SC(=N)NC2=O)c(C)n1-c1ccccc1	742498383	HSKJZIYVJQVMKC-INIZCTEOSA-N	370.478	2.309	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)C3[C@@H]4CCCC[C@@H]34)CC2)cc1	746173419	DOHWMTZYPXLOOP-RTBURBONSA-N	357.498	2.370	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](OC)C(F)(F)F)C2)cc1	852104981	HOFLHYFHMZJFCD-FZMZJTMJSA-N	361.364	2.150	10	10	FECE	
COc1cc(Br)cc([C@H](C)N[C@@H](CO)c2ccnn2C)c1O	858435614	MWFZQQWKTHEWAV-CABZTGNLSA-N	370.247	2.281	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C(=O)Nc1c(F)cccc1F	935944907	CPKVMCLTBCBPMB-UHFFFAOYSA-N	355.337	2.411	10	10	FECE	
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1ccc(N2CCOCC2)cc1	877873616	XDDBVMVNSALOGN-UHFFFAOYSA-N	367.361	2.228	10	10	FECE	
COc1ccc(N2CCC(N[C@@H]3CCN(C4CCOCC4)C3=O)CC2)cc1	773045614	ZIXJIIWAPANPOQ-HXUWFJFHSA-N	373.497	2.034	10	10	FECE	
CO[C@H](C)CNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	785891397	ZNHSVLJUVIEROF-MRXNPFEDSA-N	360.502	2.053	10	10	FECE	
O=C1CO[C@@]2(CCN(Cc3ccccc3O)C2)CN1Cc1ccccc1	895682728	XFBMHBOKTUHKGZ-OAQYLSRUSA-N	352.434	2.396	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)NCc1cccc(O)c1O	1153797600	COKUJUDEJDSYFX-GZBFAFLISA-N	362.426	2.217	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)N(C)C)cc1	1158717055	LCDPOQBTBQNYAC-QGZVFWFLSA-N	372.425	2.399	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1C[C@H]1C(=O)NCCc1ccc(O)c(O)c1	2124263573	ZDYOWVGBQHFPIA-IACUBPJLSA-N	364.442	2.306	10	10	FECE	
CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CC[C@H](CN=[N+]=[N-])C2)CC1	2124533665	QCVWXQZVNAGJCQ-CYBMUJFWSA-N	366.466	2.134	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)C1	2124507416	AACGZJPSPJHZBL-DCGLDWPTSA-N	365.434	2.314	10	10	FECE	
NC(=O)C12CCC(CC1)N2c1nnc(-c2sccc2O)n1CC1CC1	1263681327	KBXIHLOICQBKTH-UHFFFAOYSA-N	359.455	2.109	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2F)cc1	1446731936	FJYBBGSCBIVZCW-HNNXBMFYSA-N	369.356	2.301	10	10	FECE	
O=C(NCc1cccc(O)c1O)c1ccccc1CSc1nc[nH]n1	1455319758	SNHVPMGEXQHNJV-UHFFFAOYSA-N	356.407	2.438	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)c2nnn(Cc3cc(C)on3)c2C)c1	1545684295	RGYLSDNMRGRBEF-LLVKDONJSA-N	371.397	2.136	10	10	FECE	
O=C(NC[C@@H](CO)Cc1cccnc1)c1cc2cc(O)c(O)cc2s1	1626913278	ILRFBTZAEYTGCM-LBPRGKRZSA-N	358.419	2.289	10	10	FECE	
Cc1cc(C(=O)N[C@@H]2CCC(=O)NC2=O)c(C)n1-c1ccc(Cl)cc1	153324197	NDOFIIICKXNKLD-OAHLLOKOSA-N	359.813	2.283	10	10	FECE	
CCc1c(OCc2ccc(N)cc2)c(=O)ccn1CCCN1CCOCC1	1857913430	IDDZTSVULAXZDU-UHFFFAOYSA-N	371.481	2.294	10	10	FECE	
CC(C)(C)OC(=O)NCc1n[nH]c(=NCc2c(O)cccc2Cl)o1	2024247130	ONVQMRGBYSUMLH-UHFFFAOYSA-N	354.794	2.487	10	10	FECE	
C[C@@H](NC(=O)c1ccc(O)c(O)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	2054412074	DLEZVINPWORBMR-DGCLKSJQSA-N	350.415	2.473	10	10	FECE	
COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1	2296661409	VTZDHHGRRKGOHN-UHFFFAOYSA-N	352.346	2.370	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@]12CCOC[C@@H]1CN(C(=O)OC(C)(C)C)C2	2337777443	SWJHJZMPNGKOTM-GUYCJALGSA-N	367.450	2.419	10	10	FECE	
C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(=O)N1CCCCC1	58236371	IYKPFZMMPHXAMT-MRXNPFEDSA-N	358.486	2.487	10	10	FECE	
COc1ccc(N2C[C@](O)(c3ccc(OC)cc3)[N+]3=C2SCC3)cc1	22405038	FZTZLYTUPYHILM-IBGZPJMESA-N	357.455	2.484	10	10	FECE	
CN1CCC(N(C)C(=O)C(=O)N(c2ccccc2)c2ccc(N)cc2)CC1	170340749	QGDKPPZLSFWUSE-UHFFFAOYSA-N	366.465	2.486	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)Nc3cn(C)nc3C)cc2F)CC1	189600787	MXYBBOIPZAECPA-UHFFFAOYSA-N	374.464	2.331	10	10	FECE	
CN(C)CCOc1cc(C(=O)NCCCSc2nccs2)ccn1	137058475	FOTXRFQULNPFAY-UHFFFAOYSA-N	366.512	2.391	10	10	FECE	
COc1ccc(N2CCN(C(=O)C3(C(=O)NC4CCCC4)CC3)CC2)cc1	243596892	OSYRSRQSZLVXGG-UHFFFAOYSA-N	371.481	2.183	10	10	FECE	
CCOC(=O)c1csc(CCNCc2cc3c(cc2O)OCO3)n1	276244391	QTTDCBHEHQUKLJ-UHFFFAOYSA-N	350.396	2.086	10	10	FECE	
Cc1cc(C(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)c(C)n1-c1ccccn1	285840167	JUMIVJZPRWFKIK-DOTOQJQBSA-N	359.470	2.377	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)Cc1cnccc1C	807096879	WHFMYXGXBNRDBU-UHFFFAOYSA-N	354.454	2.039	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCO[C@]3(CCSC3)C2)cc1F	826020096	QADIOWAGFMTCAZ-QGZVFWFLSA-N	353.463	2.309	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3CCN4CCC3CC4)C2)cc1	823733241	LUPJWNGGXBSUIN-INIZCTEOSA-N	358.486	2.011	10	10	FECE	
CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)/C=C\c1cccnc1C)CC2	826527688	RQNFGFJMZZRNIB-CLFYSBASSA-N	371.462	2.291	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)cc1	842469857	NLMYLMLYPTWYFK-NXHRZFHOSA-N	359.470	2.087	10	10	FECE	
C[C@@H](NC(=O)NCc1cc(Br)ccc1O)[C@@H]1CCCNC1	841926367	GPUXBFROPOLOAF-GHMZBOCLSA-N	356.264	2.342	10	10	FECE	
C[C@H](NC(=O)N1CC[C@@H]2CNC[C@@H]2CC1)c1ccc(N2CCOCC2)cc1	841742350	WMHUEACOEHUKIK-YTQUADARSA-N	372.513	2.225	10	10	FECE	
C[C@@H](NC(=O)C(=O)N1CCC12CCCC2)c1ccc(N2CCOCC2)cc1	846727501	VMGHKGGSTZUAFS-MRXNPFEDSA-N	371.481	2.246	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC(Cn3cnnc3)CC2)c([N+](=O)[O-])c1	845701372	TTXDBVGKUJMTHA-HYXAFXHYSA-N	371.397	2.289	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CCC(N3CC[C@@H](O)C3)CC2)c1O	852708444	BLNMRCWWKLSZFV-MRXNPFEDSA-N	352.862	2.279	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc(-n4ccnn4)cc3)C2)cc1	855233642	JUPIFUMOLOBWHH-INIZCTEOSA-N	363.421	2.285	10	10	FECE	
CCOc1ccc(CN2CCC[C@@](O)(Cc3nc(CC)no3)C2)c(O)c1	856591417	BIMJMPMHOKIWLX-LJQANCHMSA-N	361.442	2.306	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cccc4c3CCNC4)C2)cc1	852900759	RFXDWLCVSBKDMS-MRXNPFEDSA-N	351.450	2.350	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCN(C)C[C@H]3C(C)C)C2)cc1	854300671	XYQMDCFCTQOVLN-APWZRJJASA-N	360.502	2.256	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)NCCC1CCS(=O)(=O)CC1	768758720	QIEAKCGEQPUZPT-UHFFFAOYSA-N	367.515	2.075	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@]3(C2)CC3(F)F)cc1	1118348944	BXTBWSYANCBHNC-GOSISDBHSA-N	365.424	2.407	10	10	FECE	
NC(=O)CCCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	779812412	LVBFELYTFBNZHY-HNNXBMFYSA-N	367.877	2.172	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N(CC(F)F)CC2CCC2)c1	770145011	CAHFYFPBMZGONL-UHFFFAOYSA-N	362.398	2.271	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)Nc3cc(OC)nn3C)C2)cc1	881240565	QFOFIHHMLYAOKF-CYBMUJFWSA-N	359.430	2.085	10	10	FECE	
C[C@@H](NC(=O)N(CC(=O)O)C1CCC1)c1ccc(N2CCOCC2)cc1	797714375	IQOWBSSOMMDABF-CQSZACIVSA-N	361.442	2.233	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1ccc(CN2CCC(CO)CC2)cc1	1304049774	FSQAYOHFVSBQPW-UHFFFAOYSA-N	370.449	2.232	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2CCCN=[N+]=[N-])CC1	2117995894	NGVYWUOMHVNMTM-AWEZNQCLSA-N	366.466	2.231	10	10	FECE	
Cn1cc(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)nc1CNC(=O)OC(C)(C)C	2124539739	YWHXIKCZQSDWLJ-NSHDSACASA-N	363.422	2.217	10	10	FECE	
Cn1cc(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])c(CNC(=O)OC(C)(C)C)n1	2124541043	OEWAXVSLPQOOQN-LLVKDONJSA-N	363.422	2.360	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NC2C[C@@H]3CC[C@H](C2)S3)cc1F	1335545707	ALPVVQWJVLRAFS-AGUYFDCRSA-N	365.474	2.051	10	10	FECE	
C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)C(=O)N2Cc3cccc(O)c3C2)C1	1348641613	YFVGLMXOYFBHLX-UJNZZBMASA-N	372.465	2.023	10	10	FECE	
COc1ccc(N2CCN(C(=O)COc3ccsc3)CC2)c(OC)c1	1287485647	WMTJYNATOSTAJM-UHFFFAOYSA-N	362.451	2.493	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H](C(=O)OCC)C(C)C	1299700084	XDTXPPNBHVMJEY-KRWDZBQOSA-N	365.426	2.119	10	10	FECE	
COc1ccc(N2CCN(Cc3cccc(N(C)C)n3)CC2)c(OC)c1	1460651435	MTTWZFDLKGIVJG-UHFFFAOYSA-N	356.470	2.487	10	10	FECE	
O=C(NCc1c(O)ccc2ccccc12)[C@@H]1COCCN1CC(F)(F)F	1472084904	GWNBTUXGSIMZOB-HNNXBMFYSA-N	368.355	2.425	10	10	FECE	
Cc1cccc(OC[C@@H](O)CNC(=O)c2ccc(N=NC(N)=O)cc2)c1	1622129711	GDUOJQMTHUABSZ-HNNXBMFYSA-N	356.382	2.327	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2c([nH]1)CCCC2	1632356680	UAXCJKLKAFAMTF-INIZCTEOSA-N	372.421	2.209	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2cc(O)ncn2)C1	1638865351	NWYZADFTPWQWSC-OAHLLOKOSA-N	371.441	2.088	10	10	FECE	
C[C@@H](NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)c1ccccc1O	1632246941	NYDMUSGEEZFOCL-LLVKDONJSA-N	353.338	2.372	10	10	FECE	
COc1cccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1	1648478163	SIELIIHBXDXYBK-SFHVURJKSA-N	356.470	2.118	10	10	FECE	
Cc1nnnn1-c1ccc(F)c(NC(=O)CN[C@H](C)c2ccccc2O)c1	1644183160	HIXIYNIJXWVRPP-LLVKDONJSA-N	370.388	2.105	10	10	FECE	
O=C(/C=C\c1cnccn1)NCc1ccc(N2CCC(CO)CC2)cc1	1772830929	WLJARHXPNNIEOX-UTCJRWHESA-N	352.438	2.015	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)N3CCC[C@@H](N=[N+]=[N-])C3)O2)C1	2140445961	OZUKNAYXVAOPEL-CHWSQXEVSA-N	365.434	2.456	10	10	FECE	
Cc1cccc(O)c1CN1CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C1	1963063631	BFMRFEZWYDCGSJ-GOSISDBHSA-N	350.415	2.254	10	10	FECE	
O=S1(=O)CCC[C@@H]2CN(Cc3cccc(Br)c3O)C[C@H]21	2145070923	DWLPJKSKADBTAR-ZWNOBZJWSA-N	360.273	2.164	10	10	FECE	
C[C@@H](N)c1ccc(N2CCC(S(C)(=O)=O)CC2)c(Br)c1	312541654	QUPVNGITTMTUJT-SNVBAGLBSA-N	361.305	2.482	10	10	FECE	
CCS(=O)(=O)[C@@H]1CCN(Cc2cc(Br)cc(F)c2O)C1	2179910287	ZIXPHCPLEKQVMG-LLVKDONJSA-N	366.252	2.303	10	10	FECE	
CCN(c1ccc(N)cc1)S(=O)(=O)N1CC(OCc2ccccc2)C1	2043673977	UEKBXWCVLRDCPG-UHFFFAOYSA-N	361.467	2.241	10	10	FECE	
CC(C)(C)OC(=O)N1CCOCCN1C(=O)CCOc1ccc(N)cc1	2106699548	NOPFZEPBRJHHGZ-UHFFFAOYSA-N	365.430	2.049	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2253542455	BUGMRDHRBWWNOS-AGIUHOORSA-N	353.423	2.048	10	10	FECE	
CC(C)[C@@H](C(=O)O)N1C(=O)C(=C2C(=O)Nc3ccccc32)SC1=S	2293091931	IVAGRMBXBDRWGL-NSHDSACASA-N	362.432	2.319	10	10	FECE	
C[C@@H]1C[C@H](N(C)C(=O)C=Cc2ccc(N3CCOCC3)cc2)CCN1C	2297638043	LOZMJZCDJZSVCA-YLJYHZDGSA-N	357.498	2.478	10	10	FECE	
CCN[C@@H](c1ccccc1O)c1cc(I)nn1C	2314319587	NZKZHJBNODHKMU-ZDUSSCGKSA-N	357.195	2.429	10	10	FECE	
C[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCOCC1	120841859	AFHANEAXTSERFT-AWEZNQCLSA-N	350.434	2.341	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCN1C(=O)Cc1cccs1	182540091	ZBRGWMSSJQIJNF-AWEZNQCLSA-N	360.435	2.009	10	10	FECE	
Cc1csc([C@H]2CN(CC(=O)NCc3ccc(N(C)C)cc3)CCO2)n1	195390262	CRUOXQHWIVCZBL-QGZVFWFLSA-N	374.510	2.207	10	10	FECE	
C[C@@]1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C[C@H]2CC[C@H]1O2	249855124	FVMFONXYIQDNCY-SFHLNBCPSA-N	358.482	2.469	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3CC[C@]4(CCCNC4)C3)C2)cc1	818655982	SVKXHKYBZYGZAW-UWJYYQICSA-N	372.513	2.307	10	10	FECE	
COCc1cccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)c1	727358372	WMHYFKDECTZVMW-UHFFFAOYSA-N	362.451	2.470	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CNCC2(CC(N)=O)CCCCC2)c1O	827752165	ZSQZNSQMRKBOQY-UHFFFAOYSA-N	351.403	2.225	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)NC3C[C@H]4C[C@@H]4C3)CC2)cc1	824144471	AWNGPPWGGXUBNW-IAGOWNOFSA-N	372.513	2.305	10	10	FECE	
CN1CCCc2cc(CNC(=O)NCC3(O)Cc4ccccc4C3)ccc21	738990794	KLVNJBZPXDZOLP-UHFFFAOYSA-N	365.477	2.398	10	10	FECE	
COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)Cc1cc(C)n(-c2ccccc2)c1C	832637954	AOLGVLSKXURABI-QUCCMNQESA-N	370.449	2.162	10	10	FECE	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)/C=C\Cn2cncn2)cc1	912108731	COQHIFFSDOBKQL-ARJAWSKDSA-N	367.375	2.491	10	10	FECE	
C[C@@]1(c2cccc(F)c2)CCN(C(=O)C(=O)NCCc2ccc(N)cc2)C1	846345834	ZAFGUDAEDLMSLN-OAQYLSRUSA-N	369.440	2.257	10	10	FECE	
COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H](C)C(C)(C)C)CC2)cc1	846593920	VDHMAEOAVHUENU-BLIJAFNYSA-N	373.497	2.451	10	10	FECE	
C[C@H]1CN([C@H](C)CNCc2ccc(N3CCOCC3)c(F)c2)C[C@@H](C)O1	848562010	FJFBUHWNGFVLDS-ZACQAIPSSA-N	365.493	2.250	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3cnn(C4CC4)c3N)C2)cc1	911275913	JSZFIQLMRHQPNI-CYBMUJFWSA-N	355.442	2.065	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N(C3CC3)[C@@H]3CCNC3)CC2)cc1	841778511	CJNITEKNLZPFCK-GOSISDBHSA-N	358.486	2.200	10	10	FECE	
Cc1ccc(O)c(CNC(=O)NCc2cccc(CS(C)(=O)=O)c2)c1	858167930	AMYYKXIFKJTWAU-UHFFFAOYSA-N	362.451	2.245	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Cc3ccc4c(c3)NC(=O)C4)C2)cc1	855226301	NPWAWMBWCRNZCT-INIZCTEOSA-N	365.433	2.127	10	10	FECE	
COc1ccc(O)c([C@H](C)NC[C@H]2CN(Cc3ccncc3)CCO2)c1	858565431	PKUGWBNDPVTFRJ-YJBOKZPZSA-N	357.454	2.347	10	10	FECE	
O=C(NCc1c(O)cccc1F)[C@@H]1CSCN1C(=O)C1CCCC1	928711550	IPZICVBSLHEQEQ-AWEZNQCLSA-N	352.431	2.239	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@](O)(C4CC4)C3)C2)cc1	854295757	BGBNYLXSXGGKJR-OXQOHEQNSA-N	359.470	2.220	10	10	FECE	
COC(=O)CCCN1C(=O)/C(=C\c2cn(C)nc2Cl)SC1=S	856717259	FCNWDHRTFXAYIX-RMKNXTFCSA-N	359.860	2.228	10	10	FECE	
Cc1cc(C(=O)N2CCn3c(O)nnc3C2)c(C)n1-c1ccc(F)cc1	763228471	QXOIROSIYDPYLW-UHFFFAOYSA-N	355.373	2.186	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)c1cccc(NC(=O)[C@@H]2CCCO2)c1	768900699	NAOGFRFQYPFMGL-SFHVURJKSA-N	370.405	2.188	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)N3CCO[C@H](CC(N)=O)C3)c2C)c1	863488114	HABQUTHPLLGUDU-QGZVFWFLSA-N	355.438	2.119	10	10	FECE	
C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccc(O)c([N+](=O)[O-])c3)ccc2O1	775285788	CBAAVCUERLJOML-SECBINFHSA-N	350.352	2.425	10	10	FECE	
Oc1cc(OCc2ccccc2)ccc1CN1CCn2c(O)nnc2C1	776520673	PAUCXIIFAVWYKP-UHFFFAOYSA-N	352.394	2.284	10	10	FECE	
Cc1nnnn1-c1ccc(C(=O)NCc2ccc(N(C)C)cc2)c(F)c1	1124553120	NGQAYVJHROBMBR-UHFFFAOYSA-N	354.389	2.106	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H]3CCC[C@]3(CO)C2)N(C)C)cc1	899097580	BUBBNBYOSLGPSV-HFSMHLIXSA-N	374.529	2.159	10	10	FECE	
CC(C)(C)OC(=O)NCC1(CC(=O)NCc2ccc(O)cc2O)CC1	1142533022	CIMBHTLUFMEOIP-UHFFFAOYSA-N	350.415	2.409	10	10	FECE	
CN1C(=O)C(=Cc2c(Cl)nc3cc(Cl)ccn23)C(=O)N(C)C1=O	794689578	BZZBKBZHRZRMOH-UHFFFAOYSA-N	353.165	2.075	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H]1C[C@H]1c1ccccc1	1324913589	HCFJTTCYPIWPNJ-PMACEKPBSA-N	361.445	2.351	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(CCCc2ccc(N)cc2)[C@H](C(=O)O)C1	2123061376	YXJOCJCQBDKABU-INIZCTEOSA-N	363.458	2.207	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)N[C@@H](C(C)C)C3CC3)C2)cc1	1330637170	GWNZGRKBZAVZDJ-BEFAXECRSA-N	373.497	2.189	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@H]1CCNC(=O)c1cc(O)c(O)c(O)c1	2132410478	NIOGHRSMVBNTPW-GFCCVEGCSA-N	366.414	2.323	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCN(Cc3cscn3)CC2)cc1	1442232899	CBKYZNGYQJAVAC-UHFFFAOYSA-N	358.427	2.264	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1CCCO[C@@H]1CCOC1	1613922976	AJDAQGWWCQLZDB-MRXNPFEDSA-N	360.458	2.378	10	10	FECE	
CC[C@H]1C[C@H]1NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136257807	CMOBKLWVBOBNEC-MJBXVCDLSA-N	364.442	2.448	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1	1624327775	QAVWGYYHYZSLQG-UHFFFAOYSA-N	361.402	2.446	10	10	FECE	
CN(CC(=O)NCc1ccc2cccnc2c1O)C(=O)c1cccs1	1630528834	XATQJMROPZKICP-UHFFFAOYSA-N	355.419	2.390	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)NCc1cc(O)ccc1O	1643882185	PTUIPTTYLFZJAX-NSHDSACASA-N	360.357	2.263	10	10	FECE	
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCc2cc(O)ccc2O)cc1	1651222989	VOXMJMISUJCBCB-QGZVFWFLSA-N	354.406	2.214	10	10	FECE	
CC(=O)N[C@@H](CC(=O)NCc1c(O)cccc1O)c1ccc(F)cc1F	1597574535	PCXNGBBTYKSOMQ-HNNXBMFYSA-N	364.348	2.260	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@]1(C)CNC(=O)O1	1951834456	TWIBKUWLXKAKBT-GUYCJALGSA-N	352.387	2.032	10	10	FECE	
C[C@@H]1CC[C@H]([C@H](NC(=O)OC(C)(C)C)C(=O)NCc2ccccc2O)O1	1969154221	JZJXEFFVZAYOFO-WQVCFCJDSA-N	364.442	2.469	10	10	FECE	
COc1ccc(Br)c(CNC2CN(CC(F)F)C2)c1O	1970964575	SWTLHAYVYMBOAB-UHFFFAOYSA-N	351.191	2.202	10	10	FECE	
CN[C@H](C)c1ccc(N2CCCS(=O)(=O)CC2)c(Br)c1	300521904	TWZWHUWMNWTEJT-LLVKDONJSA-N	361.305	2.354	10	10	FECE	
COc1cccc(CN[C@H]2[C@H]3OCC[C@@H]3[C@H]2NC(=O)OC(C)(C)C)c1O	387936260	AXIGEQAISWHYOE-MMTVNHQJSA-N	364.442	2.171	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@]1(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)CCOC1	2060633423	NLXCFNFGXRZIPK-LRDDRELGSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](CNCc2ccc(O)c(O)c2O)COC1(C)C	2103037645	WIACNSXLMGYQAQ-GFCCVEGCSA-N	368.430	2.265	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NCc3cc4c(cc3O)OCO4)C[C@H]2C1	2095035833	PWEJHVFUPLQEIH-MJBXVCDLSA-N	362.426	2.466	10	10	FECE	
O=C1C(=Cc2cccc(F)c2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1	2296709448	RCVRAZZKFIFUFA-LLVKDONJSA-N	357.453	2.214	10	10	FECE	
CN(C)c1cccc(CNC(=O)C=Cc2ccc(N3CCOCC3)cc2)n1	2303880852	MCMGWYDEIVAPCK-UHFFFAOYSA-N	366.465	2.314	10	10	FECE	
Cc1c(C=CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1C	2304143479	VHUNSFPFZRQQAV-UHFFFAOYSA-N	354.454	2.237	10	10	FECE	
C[C@H](c1ccccn1)N1CCN(C(=O)C=Cc2ccc(O)c(O)c2)CC1	2309107191	PCSROAPNLAZUGQ-OAHLLOKOSA-N	353.422	2.411	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)OC1	2315992163	IAQCSUPYOGDEER-QWHCGFSZSA-N	355.439	2.465	10	10	FECE	
CCS(=O)(=O)C[C@@H](C)NCc1ccc(C)c(Br)c1O	2352669322	CPDCBQJYOKICDG-SNVBAGLBSA-N	350.278	2.376	10	10	FECE	
COc1ccc(C(=O)NC2=N[C@H](c3ccccc3F)CC(=O)N2)cc1OC	20924694	QIIKBXOBKCFIHT-AWEZNQCLSA-N	371.368	2.190	10	10	FECE	
COc1ccc(N2CCC(NC(=O)Nc3ccc(=O)n(C)c3)CC2)cc1	171057396	VTJAGWGKQLXZAQ-UHFFFAOYSA-N	356.426	2.184	10	10	FECE	
COc1cc(N2CCN([C@H]3CCCC[C@@H]3O)CC2)cc(OC)c1OC	183695496	JJHYOBPZHTVFRJ-HOTGVXAUSA-N	350.459	2.138	10	10	FECE	
C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1CC(=O)Nc1ccc(N)cc1	2163041438	GUUONPUTAOICRH-KEYYUXOJSA-N	374.485	2.395	10	10	FECE	
O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1CCO[C@@H](c2cccnc2)C1	819170124	VURNWSXCOIMPIC-SJLPKXTDSA-N	367.405	2.472	10	10	FECE	
COc1ccc(N2CCCN(C(=O)C[C@H]3CCOC[C@H]3OC)CC2)cc1	822656329	UYZJUWOVVPMKTO-VQIMIIECSA-N	362.470	2.176	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)N1CCC[C@H](CCF)C1	828238238	FYMZXDUICKAIIL-GFCCVEGCSA-N	359.492	2.340	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCC[C@H](N3CCCS3(=O)=O)C2)cc1	835054154	NRKZFOATXVEOJH-ORUDLHBZSA-N	363.527	2.266	10	10	FECE	
CC[C@H](NCCS(=O)(=O)N=S(C)(C)=O)c1cccc(Cl)c1O	903225032	DKLZBJGABBQOHI-LBPRGKRZSA-N	368.908	2.144	10	10	FECE	
CCN(C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1CCOC1	838740356	VMAFHMHDPSOKMO-CQSZACIVSA-N	369.412	2.122	10	10	FECE	
C[C@H](NC(=O)N(C)Cc1cnccn1)c1ccc(N2CCOCC2)cc1	735583554	YXHOMEMVSWIZQG-HNNXBMFYSA-N	355.442	2.216	10	10	FECE	
Cc1cc(CC(=O)NCc2nc(N(C)C)no2)c(C)n1-c1ccccc1	832405112	GYRNCXVRURNGFO-UHFFFAOYSA-N	353.426	2.402	10	10	FECE	
COc1cc(Br)cc([C@H](C)N[C@@H]2CC[C@H](C(N)=O)C2)c1O	848553279	SIFHXVWKRRZZNA-ATZCPNFKSA-N	357.248	2.468	10	10	FECE	
Cc1cc(C(=O)COC(=O)c2nonc2N)c(C)n1-c1ccc(F)cc1	744870272	GXGRZLFWFZJJOQ-UHFFFAOYSA-N	358.329	2.238	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)NCC[S@@](=O)CC(F)(F)F)c1	850496505	OOZAWSPTTBYRNS-YGWIHHTISA-N	353.362	2.140	10	10	FECE	
Cc1cc(CC(=O)OCC(=O)N2CCO[C@@H](C)C2)c(C)n1-c1ccccc1	853933544	FUWIERAGCWKUGB-INIZCTEOSA-N	370.449	2.427	10	10	FECE	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1	751999520	FTBWVSZSZNIDQZ-LLVKDONJSA-N	366.395	2.490	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCC[C@@H]2CCC(C)(C)CO2)cc1	929239320	ZGVVLWMXOFCDBH-KRWDZBQOSA-N	361.486	2.080	10	10	FECE	
CO[C@@]1(CO)CCCN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1	854176352	FFGXCVYKFCNHPZ-UZLBHIALSA-N	363.502	2.175	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)N[C@H]1CCCOC1	768733843	ZHSYPMISPNBBPB-IBGZPJMESA-N	372.513	2.197	10	10	FECE	
CC(=O)OCCN(C)c1ccc(/C=C2\N=C(c3cccnc3)OC2=O)cc1	764414084	PPUUTBMQSASMDY-PDGQHHTCSA-N	365.389	2.425	10	10	FECE	
CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1	775289543	VTNDDKKBWDHYJU-UHFFFAOYSA-N	366.351	2.278	10	10	FECE	
COc1ccc(C[C@H](C)N(C)C(=O)C(=O)N2Cc3cccc(O)c3C2)cc1	1118940057	JCBAYZWTYWNMRE-AWEZNQCLSA-N	368.433	2.333	10	10	FECE	
CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1Cc2cccc(O)c2C1	871200151	ZERNWMAGUVCUPJ-CQSZACIVSA-N	360.435	2.379	10	10	FECE	
COC(=O)N1CCC[C@@H]([C@@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2O)C1	775071423	AFCPPYHGDUGDOQ-DGCLKSJQSA-N	367.402	2.266	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1CN(C2CCOCC2)C1	897983985	OWLHXSBNQSPSRV-MRXNPFEDSA-N	359.514	2.219	10	10	FECE	
COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)N(C)Cc3ccc(N(C)C)cc3)[C@@H]2C1	897712435	PKFQXRJMLPHSDU-AHCXZYCDSA-N	359.470	2.482	10	10	FECE	
CC1(NCc2cc(Cl)cc(Br)c2O)CS(=O)(=O)C1	1918418894	QMTQEPZWKJZDQD-UHFFFAOYSA-N	354.653	2.085	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2124531502	DOKYLBJHAVTTLV-AHIWAGSCSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2COC[C@@]2(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)C1	2124540258	FMZCJDYVCTTZFI-IGCXYCKISA-N	365.434	2.171	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](C(=O)N1CCC(N=[N+]=[N-])CC1)[C@H]1CCOC1	2124505281	JTQTYHQAFCWBLO-GXTWGEPZSA-N	367.450	2.465	10	10	FECE	
C[C@H]1[C@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1ccc(O)c(O)c1	2118182762	YSOICQXHSIICTK-VYUIOLGVSA-N	360.332	2.015	10	10	FECE	
CCn1ccnc1[C@H]1CCCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1	1330473623	YMGMDCNEWFAZMP-MRXNPFEDSA-N	368.437	2.205	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1ccncc1C	1295590723	PEBDNRQCDDBNCM-UHFFFAOYSA-N	362.813	2.493	10	10	FECE	
C[C@@H](C(=O)N(C)CC(=O)NCc1c(O)ccc2ccccc12)n1cccn1	1635964867	BZJNHDVBIJLLRX-AWEZNQCLSA-N	366.421	2.078	10	10	FECE	
CS(=O)(=O)Nc1ccccc1CC(=O)NCc1cc(Cl)ccc1O	1632224104	VFESEEJFBDTZBY-UHFFFAOYSA-N	368.842	2.276	10	10	FECE	
CCS(=O)(=O)c1ccc(CCC(=O)NCc2cc(O)ccc2O)cc1	1651225523	NHHVVEWCZUZENW-UHFFFAOYSA-N	363.435	2.140	10	10	FECE	
O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCc1c(O)cccc1O	1597568873	IUNLZJOVMCCMJE-UHFFFAOYSA-N	362.769	2.366	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)NCc2ccccc2O)C1	1962836334	BOMSEYREFGRMNL-CQSZACIVSA-N	350.415	2.034	10	10	FECE	
COc1ccc(CN2C(=O)NC(=O)/C(=C/c3ccc(O)cc3)C2=O)cc1	4456451	VUWPFPVAUSJVAV-YBEGLDIGSA-N	352.346	2.063	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1	156625300	BLEWPRVDAYZIBQ-HOTGVXAUSA-N	360.454	2.185	10	10	FECE	
Cc1c(CC(=O)NCCc2ccc(O)c(O)c2)c(=O)oc2cc(O)ccc12	1860285110	PJSVDHKODFOCEN-UHFFFAOYSA-N	369.373	2.120	10	10	FECE	
CCN(CC)c1ccc(CNCC(=O)Nc2ccc(C(N)=O)cc2)cc1	1860715986	KHPHHUFCTNFRPT-UHFFFAOYSA-N	354.454	2.360	10	10	FECE	
CCN(Cc1cc(Cl)cc(Br)c1O)[C@@H]1CC(=O)NC1=O	2171211380	XYEKMJTWSRDZIG-SNVBAGLBSA-N	361.623	2.045	10	10	FECE	
C[C@H](N)c1ccc(N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)cc1Br	2170273544	IHKOAJUCHQPGPL-DCAQKATOSA-N	361.305	2.481	10	10	FECE	
CC(C)(C)OC(=O)NCCOCCCNC(=O)Nc1ccc(N)cc1	2049127811	RDTYPVZGRJEKRA-UHFFFAOYSA-N	352.435	2.322	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H](CN=[N+]=[N-])C1)C1COC1	2060638351	VXTQDSSPKJGHBY-DGCLKSJQSA-N	353.423	2.075	10	10	FECE	
C[C@@H]1COC[C@H](C(=O)N2CCC[C@H](N=[N+]=[N-])C2)N1C(=O)OC(C)(C)C	2060618872	FLXVSNKPHWTVQZ-FRRDWIJNSA-N	353.423	2.312	10	10	FECE	
CN(C(=O)CN1C[C@@H]2C[C@H](C1)CN2Cc1ccccc1)c1ccc(N)cc1	2187753105	YXJSDDFECFXHEL-NQIIRXRSSA-N	364.493	2.438	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(NC(=O)COc2ccc(N)cc2)C1	2106266457	VFIPILUWPJIOKD-YJYMSZOUSA-N	361.442	2.163	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@]2(CNC(=O)Nc3ccc(N)cc3)C[C@H]1CO2	2106293622	ICIUCHHAGBJLRU-KSSFIOAISA-N	362.430	2.169	10	10	FECE	
N[C@@H]1C(=O)Nc2cc(N3Cc4ncsc4C3)c(Br)cc21	2201379296	FILQDRCWPKFHHA-LBPRGKRZSA-N	351.229	2.378	10	10	FECE	
Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])c(CNC(=O)OC(C)(C)C)n1	2225791806	HOQGVDAGVLBKSV-NEPJUHHUSA-N	363.422	2.406	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1	2288269270	ZXWIWGNLPCUSJR-PJSUUKDQSA-N	374.485	2.442	10	10	FECE	
COc1cc(C=C2SC(=S)NC2=O)ccc1OCCCC(=O)O	2297498509	WEOJYEZJXFUJLU-UHFFFAOYSA-N	353.421	2.428	10	10	FECE	
CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)C=Cc2ccc(O)c(O)c2)C1	2310454962	RVYNIKZZXDQZQV-SFHVURJKSA-N	367.449	2.487	10	10	FECE	
COc1cccc(C=C2SC(=S)N(CCNC(=O)C3CC3)C2=O)c1	2320656202	FRKRVDHHYKERKO-UHFFFAOYSA-N	362.476	2.423	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C[C@@H]2OCC[C@@H]21	2331228177	LLLQKKVXEMIPGU-RFGFWPKPSA-N	365.434	2.455	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NCc3cccc(O)c3O)C[C@H]21	2343107711	AOMMUVDBZBMYJV-IIAWOOMASA-N	364.442	2.354	10	10	FECE	
Cc1nn(C)cc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	189582785	JRFRFVLZZQZHLD-UHFFFAOYSA-N	361.421	2.150	10	10	FECE	
Cc1ccc(S(=O)(=O)N2CCN(c3ccc4c(c3)OCCO4)CC2)cc1	41380254	VDJCPTOXDAABEY-UHFFFAOYSA-N	374.462	2.277	10	10	FECE	
CCOC(=O)c1nc(C2CCN(Cc3cc(OCC)ccc3O)CC2)n[nH]1	278572980	CEQKHYGQFIYNJY-UHFFFAOYSA-N	374.441	2.465	10	10	FECE	
CC(=O)C(=O)COC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1	808514287	ZYHWWLBBPDXCPJ-UHFFFAOYSA-N	357.284	2.147	10	10	FECE	
COc1ccc2cc(NC(=O)C3=S=CC(S(C)(=O)=O)=C3)ccc2c1	804309986	RQVQHYTVMUWPFO-UHFFFAOYSA-N	361.444	2.437	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1	808540954	LLZYZOINJJGMHV-MEBBXXQBSA-N	372.204	2.214	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)N3C[C@@H](C)CC[C@@H]3C)CC2)cc1	804317952	UDMATUPSCRZSBA-HOTGVXAUSA-N	373.497	2.427	10	10	FECE	
Nc1ccc(Cc2nc(C(=O)N3CCO[C@H](C(=O)C4CC4)C3)cs2)cc1	818000003	BQZNMSJURJNAJZ-INIZCTEOSA-N	371.462	2.136	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Nc3ccc4ncnn4c3)C2)cc1	823693607	JNGYOTIIVSYKIG-AWEZNQCLSA-N	352.398	2.138	10	10	FECE	
COC(=O)c1ccc(S(=O)(=O)NCCCSc2nccs2)cc1	733899298	FOEHBLQAODPOCC-UHFFFAOYSA-N	372.493	2.390	10	10	FECE	
Cn1nccc1[C@@H]1COCCN1C(=O)NCc1ccc(N2CC=CC2)cc1	845003124	RDTYWOAHTUXMMG-IBGZPJMESA-N	367.453	2.079	10	10	FECE	
CN(C)c1cnn(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)c1	854654302	LCDLCJSVDAPXLG-GQCTYLIASA-N	356.426	2.237	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)[C@H]1CC(=O)N(Cc2ccco2)C1	862028676	HLCPVBMBMIEIPZ-HNNXBMFYSA-N	365.389	2.198	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)CN2CC[C@@H](NC(N)=O)C2)c1C	762924860	HPJFULIYCQBUCB-MRXNPFEDSA-N	354.454	2.328	10	10	FECE	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1nc(=O)n(C)[nH]1	779464234	NKPACGCMDHIFML-UHFFFAOYSA-N	373.438	2.055	10	10	FECE	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCO[C@@H](C3CC3)C2)c1	776768378	NNPLCUQFUBYIQA-HXUWFJFHSA-N	374.481	2.038	10	10	FECE	
Cn1nnnc1CCNC(=O)N(Cc1ccccc1O)C1CCCCC1	772578208	PNSCPUBMLUPSRB-UHFFFAOYSA-N	358.446	2.003	10	10	FECE	
C[C@@H]1[C@H](NC(=O)NCc2ccccc2O)CC(=O)N1Cc1ccccc1	798396272	WYHPQQAEQFPTGR-RHSMWYFYSA-N	353.422	2.381	10	10	FECE	
COC(=O)c1cc2c(cc1F)NC(=O)/C2=C\C1=S=CC(n2ccnc2)=C1	794744171	VQHRDDAZBOPHTL-ACAGNQJTSA-N	369.377	2.407	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@@H]1C[C@H]2COCC[C@@H]2N(C(=O)OC(C)(C)C)C1	2124537652	ALRCEHCGBDPGDC-RDBSUJKOSA-N	367.450	2.417	10	10	FECE	
NC[C@@H]1CN(c2ncncc2I)Cc2ccccc21	2119631741	KBHBZVFGDCSUJV-LLVKDONJSA-N	366.206	2.144	10	10	FECE	
CCOC(=O)C[C@@H](O)CN(CC)Cc1cc(Br)ccc1O	1334971811	INMPHBYNTPQGOI-CYBMUJFWSA-N	360.248	2.291	10	10	FECE	
COc1ccc(F)cc1CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C	1342462961	VTPIJZQZQJZNLX-UHFFFAOYSA-N	373.428	2.141	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1Cc2cccnc2C1	1347964578	GDYKTXMZWFDGJU-INIZCTEOSA-N	369.440	2.213	10	10	FECE	
CCCc1cc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)no1	1439330380	PLRZMGXDZXRGJW-UHFFFAOYSA-N	370.453	2.259	10	10	FECE	
C[C@@H](NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1O	1454808277	UOFDAEWKAGCRDK-LLVKDONJSA-N	358.354	2.299	10	10	FECE	
CC[C@H]1C(=O)NCCN1C(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2	1456177092	AVYJTHPTRBDHGB-KRWDZBQOSA-N	369.465	2.266	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)c2cccnc2N(C)C)N(C)C)cc1	1537482489	GAUDTDWAHSABAT-GOSISDBHSA-N	355.486	2.246	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](CO)c2ncc[nH]2)c1	1636081517	MIXHVTOCFQMCHJ-KRWDZBQOSA-N	352.394	2.093	10	10	FECE	
Cn1c(CO)nc2cc(C(=O)NCc3ccc4cccnc4c3O)ccc21	1639624757	IWDKLWYVBRCIJH-UHFFFAOYSA-N	362.389	2.249	10	10	FECE	
C[C@H](NCC(=O)Nc1cc(-n2cnnn2)ccc1Cl)c1ccccc1O	1644184071	ZMXQYIPJIYOJDW-NSHDSACASA-N	372.816	2.311	10	10	FECE	
CCOC(=O)[C@H](C[C@H]1CCCO1)NC(=O)c1ccc(N=NC(N)=O)cc1	1645091888	OPOSVCGHLBLECP-KGLIPLIRSA-N	362.386	2.080	10	10	FECE	
CON(C)c1nnc(-c2cnn(C)c2)n1CCCSc1nccs1	1698265660	NCNNDXBDHBSJGA-UHFFFAOYSA-N	365.488	2.315	10	10	FECE	
CC[C@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	2141292060	HODFKUHCJLSETH-DJJJIMSYSA-N	364.442	2.450	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(OCC(=O)NCc2ccccc2O)C1	783677196	WCBLQLZVLSPJNM-UHFFFAOYSA-N	350.415	2.034	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2060638468	XEEGEKBYEYMQIT-STQMWFEESA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)NC1(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)CCOCC1	2060634732	CXTIBCBVVIYLHH-GFCCVEGCSA-N	353.423	2.362	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@@H](N=[N+]=[N-])C1)[C@H]1CCCO1	2060638257	UWCHCSNTXBDUSE-UPJWGTAASA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(CN=[N+]=[N-])CC1)C(C)(C)O	2067740199	OBGJXXNROMBECD-GFCCVEGCSA-N	355.439	2.200	10	10	FECE	
CCS(=O)(=O)CCN(C)c1ccc([C@@H](C)O)c(Br)c1	2114070401	QHNYLTFSVUSPBZ-SNVBAGLBSA-N	350.278	2.373	10	10	FECE	
CN(C)C[C@@H]1COC[C@H]1NCc1cc(Cl)cc(Br)c1O	2206378297	MPUMSQYCDYMOFN-ZWNOBZJWSA-N	363.683	2.474	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])CO1	2218742741	HITGUMZWTYGBAO-XQHKEYJVSA-N	353.423	2.358	10	10	FECE	
Nc1ccc(CNC(=O)c2ccc(I)c(N)c2)cc1	2278614861	BWEHWRZNLDHJCY-UHFFFAOYSA-N	367.190	2.386	10	10	FECE	
COc1ccc(C=C2C(=O)NC(=O)N(Cc3ccc(OC)cc3)C2=O)cc1	2297327222	YAPPSZGVIMWSKO-UHFFFAOYSA-N	366.373	2.366	10	10	FECE	
COc1cccc(N/C=C2\C(=O)N(c3ccc4nnc(C)n4n3)N=C2C)c1	103241889	NMEWGCARKSELEC-GDNBJRDFSA-N	363.381	2.160	10	10	FECE	
Cc1noc(CCNC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)n1	175332402	KFEVALWSUWCCBR-UHFFFAOYSA-N	361.357	2.126	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCC1CC(F)(F)C1	1328870484	AWALQOYIGYKEFB-UHFFFAOYSA-N	353.413	2.229	10	10	FECE	
CCc1onc(C)c1C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1	188118792	QSDCJXYRKVQVIK-UHFFFAOYSA-N	370.453	2.144	10	10	FECE	
CC(C)N1C[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)[C@H](C)C1	246779092	CIMCPRVGQJMAOL-YLJYHZDGSA-N	374.529	2.393	10	10	FECE	
COc1cc(Cl)cc(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1O	370166458	ZGMHQYYKTYDKDR-UHFFFAOYSA-N	374.890	2.054	10	10	FECE	
Cc1nnc(CNC(=O)NCc2cc(Br)ccc2O)s1	805275256	LGNPKTYLVKRYNR-UHFFFAOYSA-N	357.233	2.314	10	10	FECE	
COc1ccc(N2CCN(C(=O)C[C@H](O)Cc3ccccc3)CC2)cc1F	813475854	JFEBUPQJGFIXOK-GOSISDBHSA-N	372.440	2.477	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)CO[C@H](C)c3nccn3C)C2)cc1	819589067	CCDIWDIZCFFZCP-CVEARBPZSA-N	372.469	2.149	10	10	FECE	
C[C@@]1(C2CC2)CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCO1	823520454	UYZRUFIZCZHIRC-NRFANRHFSA-N	373.497	2.358	10	10	FECE	
CC1(c2nnc(-c3cccnc3)o2)CN(Cc2cc3c(cc2O)OCO3)C1	828044099	LBBQCPOYGMMURR-UHFFFAOYSA-N	366.377	2.339	10	10	FECE	
Cc1nn(C2CCOCC2)c(C)c1C(=O)NCCc1ccc(O)c(O)c1	830532351	VOICHUIETCALLY-UHFFFAOYSA-N	359.426	2.235	10	10	FECE	
CN(C)CCOc1ccc(CNC(=O)NCc2c(O)cccc2F)cc1	914024727	BKQOUXKFHNWRHN-UHFFFAOYSA-N	361.417	2.471	10	10	FECE	
Cc1cc(C(=O)N[C@H](C[C@@H]2CCCO2)C(=O)O)c(C)n1-c1ccccn1	910590902	NVTOHPDYDFVFOK-GOEBONIOSA-N	357.410	2.241	10	10	FECE	
C[C@H]1CN(c2ccc(CN3C(=O)N[C@H](CCF)C3=O)cc2F)C[C@@H](C)O1	844715884	BQKMLHAKGVUAPL-TYNCELHUSA-N	367.396	2.219	10	10	FECE	
O=C(O)[C@@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1	852951234	PHXMDPOUAFCQCD-SWLSCSKDSA-N	368.380	2.484	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3CC[C@@H]4COC[C@H]4C3)CC2)cc1	853643835	RKBNHOGNENTDAK-HZPDHXFCSA-N	359.470	2.342	10	10	FECE	
CCc1cc(N2CCC(NC(=O)NCc3c(O)cccc3F)CC2)ncn1	921312992	GAYCEKNXEOGIID-UHFFFAOYSA-N	373.432	2.352	10	10	FECE	
COc1cccc([C@@H](C)NC[C@@H]2CN(Cc3ccncc3)CCO2)c1O	858564860	WUBKMQLVPGFMOB-NVXWUHKLSA-N	357.454	2.347	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H]1CCN1C(C)(C)C	850602147	PCIBJNHWIQKCRI-SFHVURJKSA-N	374.529	2.090	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1	862063307	FBSARKNWZVMWPO-CRDXFLNHSA-N	360.410	2.235	10	10	FECE	
Nc1ccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2CC(O)(c2ccccc2)C3)cc1	868295708	OZMFRARGPVUURA-ROUUACIJSA-N	365.433	2.249	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCOc2cc(N)ccc2C1	866689150	FFYVYXUTYHCKBU-UHFFFAOYSA-N	368.481	2.188	10	10	FECE	
C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C(=O)NCCc1ccc(N)cc1	1117981306	URJOEEFUDBRQTI-RISCZKNCSA-N	357.376	2.117	10	10	FECE	
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(F)c1	775285773	BJKMSYRIMWPJCH-UHFFFAOYSA-N	369.330	2.199	10	10	FECE	
Cc1nc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)c(C)s1	894596318	UXJXOIGHTTZNDX-UHFFFAOYSA-N	372.494	2.392	10	10	FECE	
Cc1cc(C(=O)N2CCC[C@H](c3nnc(N)o3)C2)c(C)n1-c1ccccn1	1168471403	WOTUBBHOHPKJFM-AWEZNQCLSA-N	366.425	2.474	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](CO)(C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C1	2124543295	PPRRXRVDXZAEPG-CXAGYDPISA-N	367.450	2.297	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@]2(C1)CC2(F)F	1332630256	GINSPUJQNHFBHK-GOSISDBHSA-N	365.424	2.359	10	10	FECE	
O=C(NCCCOCCOCc1ccccc1)c1cc(O)c(O)c(O)c1	2132347998	BJJJQDQWAHRPPO-UHFFFAOYSA-N	361.394	2.157	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1	2132418540	LDLFYEKYKDXHCP-NEPJUHHUSA-N	366.414	2.369	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](CO)[C@H]2CCOC2)CCCC1	1295799269	NBTJUZVCDXNDFS-KBXCAEBGSA-N	372.465	2.042	10	10	FECE	
COc1cc(C(=O)NCc2ccc(O)cc2O)cc(NC(C)=O)c1OC	1299573316	JOJBOGWKTYZDCE-UHFFFAOYSA-N	360.366	2.003	10	10	FECE	
Cn1cnc(/C=C\C(=O)N2CC(=O)Nc3cc(Br)ccc32)c1	1537605759	GHWSDLFFUDXDMX-HYXAFXHYSA-N	361.199	2.181	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)[C@@H]3CCCC34OCCO4)CC2)cc1	1623429686	LWFBRIUXPWSGNW-SFHVURJKSA-N	360.454	2.277	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1ccc2c(c1[N+](=O)[O-])OCCCO2	1633599326	XKKVGFRSDLHEBF-UHFFFAOYSA-N	360.322	2.097	10	10	FECE	
CC(C)C[C@H](CNC(=O)c1cccc(O)c1O)CC(=O)O[C@H]1CCOC1	1639257178	AYLJCQCEUXUCSA-KBPBESRZSA-N	365.426	2.212	10	10	FECE	
Cc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)ccc1N1CCOCC1=O	1636427117	ZNHQRVBXKLLJKC-CLTKARDFSA-N	368.389	2.421	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCCc1cccc2c1OC(F)(F)O2	1640755991	IXFXXWSLBSSVIR-UHFFFAOYSA-N	351.305	2.321	10	10	FECE	
CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)c2ccccc2O)c1	1587444265	AKFAPFUZUXVVOX-SNVBAGLBSA-N	368.842	2.445	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCc1nnc2ccc(C(F)(F)F)cn12	1587581879	LQZVJMOLZRTKTF-UHFFFAOYSA-N	366.299	2.018	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@@H](C)CCN(C)C)cc2F)CC1	1585403930	ORHYEPNBROVLQO-INIZCTEOSA-N	364.509	2.172	10	10	FECE	
COC1CC(NC(=O)OC(C)(C)C)(C(=O)NCc2cccc(C)c2O)C1	2139761909	LIDGMBCTLCVACU-UHFFFAOYSA-N	364.442	2.389	10	10	FECE	
Cc1cc(CCNC(=O)NC[C@H](O)[C@@H]2CCCO2)c(C)n1-c1ccccc1	1683148706	CJIIWVQMRNSQOR-PMACEKPBSA-N	371.481	2.476	10	10	FECE	
Cc1nc2scc(C)n2c1/C=C1/SC(=S)N(CC(=O)O)C1=O	1858588689	SCGIPLQGQBTYRJ-YCRREMRBSA-N	353.450	2.298	10	10	FECE	
C[C@H](NC(=O)[C@H](CCN(C)C)NC(=O)OC(C)(C)C)c1ccccc1O	827959591	BTHSIYDEWKWUDZ-ZFWWWQNUSA-N	365.474	2.414	10	10	FECE	
C[C@H](N)c1ccc(N2CC(C)(CS(C)(=O)=O)C2)c(Br)c1	2173201148	BUJPQUXKWKNTCS-JTQLQIEISA-N	361.305	2.340	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@]2(CNCc3c(O)cccc3F)C[C@H]1CO2	2042600281	XRPGPMACFHEOQH-SGTLLEGYSA-N	352.406	2.399	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1cncs1)C(=O)N1CC[C@H](N=[N+]=[N-])C1	2060610731	KYPYWPDTVQUAHV-JQWIXIFHSA-N	366.447	2.490	10	10	FECE	
COC(=O)[C@@H](CCNCc1ccc(F)c(F)c1O)NC(=O)OC(C)(C)C	2088542240	GINDZNBVHMAWNK-GFCCVEGCSA-N	374.384	2.216	10	10	FECE	
CN(C)c1ncncc1NC(=O)C=Cc1ccc(N2CCOCC2)cc1	2301791033	JAFRJECSMDLMMV-UHFFFAOYSA-N	353.426	2.031	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	2307987459	GNOQCUJQAFHKSS-UHFFFAOYSA-N	369.377	2.368	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CCO[C@H]2C[C@@H]1C(=O)N1CC[C@@H](N=[N+]=[N-])C1	2310283763	SEEQSDPFCASNBA-XQHKEYJVSA-N	351.407	2.065	10	10	FECE	
COC[C@]1(C)C[C@H](NC(=O)OC(C)(C)C)CN1Cc1cc(N)ccc1O	2338819646	OINCTWCJDDZEIQ-KXBFYZLASA-N	365.474	2.479	10	10	FECE	
COC(=O)CCN1C(=O)/C(=C2/C(=O)Nc3c(C)cccc32)SC1=S	101740875	WNQVPAQHTNMCSM-QBFSEMIESA-N	362.432	2.082	10	10	FECE	
CC[C@H](c1cc(Br)ccc1O)N(C)CCN1CCNCC1	71148613	IXUYSGFPZSBDNX-OAHLLOKOSA-N	356.308	2.443	10	10	FECE	
C[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1)CN1CCN(C)CC1	120780477	QZWJOGSIAOJWLR-OALUTQOASA-N	360.546	2.057	10	10	FECE	
Cc1cc(C)n(C[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCO2)n1	122574874	MHUOMEPGUDFJBN-NRFANRHFSA-N	370.497	2.238	10	10	FECE	
Cc1cccn2c(=O)c(C(=O)NCCCSc3nccs3)cnc12	91053079	JLSUAZNSAJCYMM-UHFFFAOYSA-N	360.464	2.372	10	10	FECE	
COc1ccc(N2CCN(c3nncc(Nc4cc(C)on4)n3)CC2)cc1	244426636	YWRJOSBVYNBQNL-UHFFFAOYSA-N	367.413	2.247	10	10	FECE	
C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)/C=C\c1ccc(N2CCOCC2)cc1	255866805	PAIFARKDSXDWPD-UPVPCIMBSA-N	357.498	2.335	10	10	FECE	
COC(=O)c1ccc(NCc2ccc(N3CCOCC3)cc2)nc1OC	274712426	YLUULSFJHSKWCV-UHFFFAOYSA-N	357.410	2.326	10	10	FECE	
Cn1cc(C(=O)CCC(=O)NCc2cc(Br)ccc2O)cn1	804736825	ANHOENBQUWGUQS-UHFFFAOYSA-N	366.215	2.168	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N3C[C@H]4COC[C@@H](C3)O4)cc2)CC1	801015101	NIRJMCCZPKRJPX-KDURUIRLSA-N	359.470	2.232	10	10	FECE	
CCc1nc(CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cs1	805194785	QSPPZDPQIYBSDU-UHFFFAOYSA-N	370.478	2.014	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)C2	819617108	XNHVYQGBDUJRKP-XDTXHMCESA-N	360.410	2.094	10	10	FECE	
COc1ccc(N2CCCN(C(=O)CC3CCN(OC)CC3)CC2)cc1	822919590	MEYPZPAZEVXRCZ-UHFFFAOYSA-N	361.486	2.397	10	10	FECE	
CC(C)C[C@H](CO)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	823542054	BMCACOCYLSSTPB-GOSISDBHSA-N	363.502	2.196	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNCc1cc(OC)c(OC)cc1O)C2	822494033	DWJBNOIJEMBVAO-GUTXKFCHSA-N	364.442	2.366	10	10	FECE	
COc1ccc(CNC(=O)c2cccn(CC(F)(F)F)c2=O)c(O)c1	907927628	ZTQVUCWPTMDNOG-UHFFFAOYSA-N	356.300	2.055	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N3CCN(CCO)C[C@H]3C)cc2)CC1	838375205	DLWHOCFLLWMIKO-GOSISDBHSA-N	374.529	2.131	10	10	FECE	
C[C@H]1CCn2ncc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2C1	843531812	INDKSUHVVNFNBH-AWEZNQCLSA-N	372.444	2.371	10	10	FECE	
NCC[C@@H](NC(=O)NCc1cc(Br)ccc1O)C(F)(F)F	841332340	DUOIQTRTMOMJDD-SNVBAGLBSA-N	370.169	2.234	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)C[C@@H](CC(C)C)OC)C2)cc1	849417634	WUBRAJDRODPHAD-CRAIPNDOSA-N	370.515	2.254	10	10	FECE	
CC1CCN(c2ccc(CN3C(=O)N[C@H](CC4OCCO4)C3=O)cc2)CC1	924606225	KFQLUDOUKNMWRL-QGZVFWFLSA-N	373.453	2.106	10	10	FECE	
CN1CCN(c2ccc(CNC3(c4ncccn4)CCOCC3)cc2)CC1	923012337	YHFBBGXAPGXTLC-UHFFFAOYSA-N	367.497	2.024	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)[C@H]1COC(C)(C)C1	859191739	CTJBSLBDHFZTKU-WMLDXEAASA-N	354.516	2.479	10	10	FECE	
COCc1n[nH]c(CN[C@H](C)c2cc(Br)cc(OC)c2O)n1	850515628	GLGWCDGTDMQWTC-MRVPVSSYSA-N	371.235	2.279	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)cc1	855226779	UEQMWYLOOAALTQ-KDOFPFPSSA-N	371.393	2.032	10	10	FECE	
CCN1CCC[C@H](CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	852456598	ZEMGRLSOTXDXOM-SJORKVTESA-N	360.502	2.305	10	10	FECE	
CCn1nccc1CN(CCO)Cc1c(O)cccc1Br	862350916	JBMAEZYCBDISIC-UHFFFAOYSA-N	354.248	2.366	10	10	FECE	
O=C1N[C@@]2(CCSC2)C(=O)N1Cc1ccc(N2CCSCC2)cc1	761101078	SQJOUKVARVDWLE-QGZVFWFLSA-N	363.508	2.167	10	10	FECE	
C[C@H](Sc1nnnn1C1CC1)C(=O)NCc1ccc2cccnc2c1O	862027817	GSASGDHLJVSKEJ-JTQLQIEISA-N	370.438	2.059	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN3CCC[C@H]3C(F)F)CC2)cc1	761121672	XQBGVWZYCSYBLY-INIZCTEOSA-N	353.413	2.073	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC[C@H](O)CC(C)(C)O)cc2F)C[C@@H](C)O1	872201099	OCQJRBLQMCCZQE-IIAWOOMASA-N	354.466	2.051	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CC(n3cc([C@H](C)O)nn3)C2)c1	781920526	NGVAPDZXFSNLDX-JTQLQIEISA-N	367.247	2.165	10	10	FECE	
COC(=O)[C@H]1[C@@H](CNCc2cc(Br)ccc2O)C1(F)F	894755043	MGYGUBBLMYOHJG-MWLCHTKSSA-N	350.159	2.299	10	10	FECE	
CNS(=O)(=O)Cc1noc(Cc2cc(C)n(-c3ccccc3)c2C)n1	896402790	JRUDJFSXNKZDAJ-UHFFFAOYSA-N	360.439	2.117	10	10	FECE	
O=C(C1CN(CC(F)F)C1)N(Cc1ccccc1O)C[C@H]1CCCO1	791394042	YSZNAUWNTWCKQD-OAHLLOKOSA-N	354.397	2.097	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@H]1C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2124507921	DBBASMWZMHJCJC-MELADBBJSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CNC(=O)c1ccc(O)c(O)c1	2118190152	OTKGZJQAMLKYOT-LLVKDONJSA-N	372.368	2.472	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)NCCc1ccc(O)c(O)c1)C(C)(F)F	2128393001	NEHXYRATKPWBOB-CYBMUJFWSA-N	374.384	2.305	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1CC(=O)NCc1ccccc1O	2124257571	UXCIIMAJXDYLRS-LSDHHAIUSA-N	364.442	2.328	10	10	FECE	
COCCOCCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1O	1505050240	MFFUQGLDMHRTPH-UHFFFAOYSA-N	371.441	2.278	10	10	FECE	
Cc1nnc(N2CC[C@@]3(CCOC3)C2)n1Cc1ccc(N(C)C)c(F)c1	1290811277	YAVHBYKYYFLOLR-LJQANCHMSA-N	359.449	2.457	10	10	FECE	
CC(=O)NCc1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1	1464453198	PTIJBVCWIBCNDP-UHFFFAOYSA-N	367.449	2.089	10	10	FECE	
CCc1c(C(=O)NCc2cc(O)ccc2O)nnn1Cc1ccc(F)cc1	1471661328	NKTAPHQIWXNBHD-UHFFFAOYSA-N	370.384	2.369	10	10	FECE	
CO[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC[C@H]1C	1638917488	HZNFIPOZYAGFMF-ATZDWAIDSA-N	362.518	2.422	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCO[C@]3(CCO[C@@H]3C)C2)c([N+](=O)[O-])c1	1773002576	YRVWYBICQWFCTO-LBEMACONSA-N	362.382	2.165	10	10	FECE	
C[C@H](NC(=O)[C@@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1O	828539747	URORJMGCRJXPMR-IHRRRGAJSA-N	364.442	2.499	10	10	FECE	
CN(C)c1ccc([C@@H](CN)N2C[C@@H]3C[C@H](C2)N3C(=O)OC(C)(C)C)cc1	1880578924	NWVHAUZBEGPVBA-FGTMMUONSA-N	360.502	2.446	10	10	FECE	
Cn1nc(CNC(=O)c2cccc(O)c2O)c(Br)c1Cl	1965414810	UPBUWKSHEDBKLO-UHFFFAOYSA-N	360.595	2.177	10	10	FECE	
CCN[C@H](C)c1ccc(N(C)C2CS(=O)(=O)C2)c(Br)c1	2152238613	DZIIFDCIXXZYGQ-SNVBAGLBSA-N	361.305	2.353	10	10	FECE	
O=S(=O)(Nc1ccc(O)cc1)c1ccc(CO)c(Br)c1	2157796687	BAPUZJASGBPHRK-UHFFFAOYSA-N	358.213	2.448	10	10	FECE	
C[C@H](N[C@@H]1[C@H](NC(=O)OC(C)(C)C)[C@H]2CCO[C@H]21)c1c(O)cccc1O	387779952	ZXIQIZNNRHWMGP-NHNREYNESA-N	364.442	2.429	10	10	FECE	
O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1	2188867997	KLLRESPXNTYZAI-DOTOQJQBSA-N	368.433	2.398	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)Cc1ccc(N)cc1	2044598463	SDOPAAKPDLXFRC-IUODEOHRSA-N	369.487	2.086	10	10	FECE	
C[C@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1ccc(O)c(O)c1	2054412266	FTOMCZQIUDSWHJ-LLVKDONJSA-N	350.415	2.425	10	10	FECE	
C[C@@H]1CC[C@H]([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CC[C@H](N=[N+]=[N-])C2)O1	2060635529	MSGBMBTWNFTGBO-YVECIDJPSA-N	353.423	2.358	10	10	FECE	
C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2060639947	NXGREMBONKJOPP-AGIUHOORSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)NCCc1nc(=NCc2cccc(Cl)c2O)[nH][nH]1	2063193544	ZREBLKYVQNOLQC-UHFFFAOYSA-N	367.837	2.265	10	10	FECE	
C[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)c1cc(O)ccc1O	2063342523	VYDYKXQTLRXLMB-HZUKXOBISA-N	352.431	2.119	10	10	FECE	
C[C@H](CCS(C)(=O)=O)N(C)Cc1cc(Br)ccc1O	2104457277	YTTDXYUXVQQZGA-SNVBAGLBSA-N	350.278	2.410	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](Nc3c(N)cccc3C(N)=O)[C@H]2C1	2108846385	WBTXPZQZTSUNDG-WHOFXGATSA-N	360.458	2.425	10	10	FECE	
C[C@H](CF)N(C)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2270196554	ZYVLDLORNKAFIU-YPMHNXCESA-N	370.421	2.350	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@H]1CCO2	2315991871	DOTMSFPKVUBYEN-MLGOLLRUSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1CN(C(=O)c1ccc(O)c(O)c1)C2	2333674929	XFWVFFJLKFLNEC-UBHSHLNASA-N	362.426	2.473	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C	2354606337	VFGWPTKQFOXGPO-UHIISALHSA-N	372.391	2.127	10	10	FECE	
CN1CCCc2cc(CNC(=O)c3cccc4c3OCC(=O)N4)ccc21	104342244	YYASNZXFDWYTTL-UHFFFAOYSA-N	351.406	2.330	10	10	FECE	
CCOc1ccc([C@@H]2CC(=O)NC(NC(=O)c3ccccc3)=N2)cc1OC	20925030	MMRQBQNZLHKPKR-HNNXBMFYSA-N	367.405	2.441	10	10	FECE	
Cc1cc(O)cc(=O)n1[C@@H](C)C(=O)NCc1c(O)ccc2c1CCCC2	178293689	VEXQZQOMWDPSCJ-ZDUSSCGKSA-N	356.422	2.324	10	10	FECE	
CC(=O)N(C(=O)C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(N)cc1	170318945	IYHJWBIWLNPQOA-UHFFFAOYSA-N	355.438	2.233	10	10	FECE	
CCc1n[nH]c([C@H]2CN(Cc3cc(Cl)cc([N+](=O)[O-])c3O)CCO2)n1	129196333	AITHSBSXZKRBFG-GFCCVEGCSA-N	367.793	2.208	10	10	FECE	
C[C@H]1CCCN1S(=O)(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	185006717	UJWUCIGHFQTTGN-HOCLYGCPSA-N	354.472	2.102	10	10	FECE	
COc1cc(N2CCN(CCCN3CCCC3)CC2)cc(OC)c1OC	183699413	DFZIXVVFBJAYKA-UHFFFAOYSA-N	363.502	2.320	10	10	FECE	
CN1CCCc2cc(CNC(=O)[C@@H]3CCc4nnc(C5CC5)n4C3)ccc21	368040271	HZDUYEBSOYSFJJ-QGZVFWFLSA-N	365.481	2.417	10	10	FECE	
CCC(=O)N1CCCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CC1	360122097	GLFZXDBZMHJKML-SOFGYWHQSA-N	361.398	2.230	10	10	FECE	
COC(=O)c1cc(C(=O)NCc2cc(Br)ccc2O)ccn1	804734433	LCFBUFBMPLFBKH-UHFFFAOYSA-N	365.183	2.266	10	10	FECE	
CC(=O)N[C@H](CC1CCC1)C(=O)NCc1cc(Br)ccc1O	804734943	FJUMBSWKUMWFQN-CQSZACIVSA-N	369.259	2.466	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cc1	817524071	NMOQLPXCVUJUTR-KZNAEPCWSA-N	357.498	2.370	10	10	FECE	
C[C@H](c1ccccn1)N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	588470239	PCSROAPNLAZUGQ-DDJMYBDESA-N	353.422	2.411	10	10	FECE	
CN(C)c1ccc(/C=C/CNCc2ccc(S(=O)(=O)CCO)cc2)cc1	835048924	MTJFLDLHCOBZBV-ONEGZZNKSA-N	374.506	2.322	10	10	FECE	
COc1cccc(CNC(=O)CN2CC[C@@H](c3ccccc3)NC2=O)c1O	830539999	CJEZREUQUFQEFN-INIZCTEOSA-N	369.421	2.174	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](CO)[C@@H](O)c1cccnc1	913568647	XOPPPBFYYVVROW-RDJZCZTQSA-N	371.462	2.375	10	10	FECE	
Cn1c(CNCc2cc(F)c(N3CCOCC3)c(F)c2)cnc1Cl	848556132	NPBFUPZECCXUPC-UHFFFAOYSA-N	356.804	2.478	10	10	FECE	
O=c1c(NCc2cc(F)c(N3CCOCC3)c(F)c2)nccn1C(F)F	840325626	JFFISCDSAHMXOK-UHFFFAOYSA-N	372.322	2.365	10	10	FECE	
CN1C(=O)[C@@H](NCc2ccc(N3CCOCC3)cc2)Cc2ccccc21	850352830	JNLFQMLBKGKPPG-IBGZPJMESA-N	351.450	2.201	10	10	FECE	
CN(C)c1ccc(/C=C\CN[C@H]2CCN(c3ccc4nncn4n3)C2)cc1	858243501	JLHKEHABKUTZEL-LIMHQNJXSA-N	363.469	2.072	10	10	FECE	
C[C@@H](NC(=O)NC(c1ccnn1C)c1ccnn1C)c1ccccc1O	868816974	DJQKCODYAVHVSB-GFCCVEGCSA-N	354.414	2.009	10	10	FECE	
O=C1N(Cc2ccc(N3CCC(O)CC3)cc2)C(=O)C23CCC(CC2)N13	865311657	KSVRASJTKQVJCO-UHFFFAOYSA-N	355.438	2.107	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)N2Cc3cccc(O)c3C2)C1	871203713	QVOQAPQLSNTDAV-AWEZNQCLSA-N	362.426	2.260	10	10	FECE	
CC(C)(O)CCC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	787488473	CINLFRZYYQCUBR-UHFFFAOYSA-N	359.514	2.386	10	10	FECE	
COCCOC[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1	896720153	WDBWUEZTQNWANZ-NSHDSACASA-N	351.424	2.438	10	10	FECE	
O=C(c1cc(O)cs1)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1	891258377	WNUJHEPTOSYIIN-ZYHUDNBSSA-N	369.386	2.035	10	10	FECE	
C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@@H](C)N1CCOCC1	896186500	HTYZSHJITCYIBX-WDEREUQCSA-N	350.440	2.152	10	10	FECE	
CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)cc1	1140427858	AFVDBDPCYDOOAT-GFCCVEGCSA-N	363.435	2.311	10	10	FECE	
CCOC(=O)[C@H]1CCCN(CC(=O)NCc2c(O)ccc3ccccc23)C1	1304090281	CWJZPGFKMIOKRE-INIZCTEOSA-N	370.449	2.437	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CC[C@@H]2[C@H](C1)C2(F)F	1233603189	BHGCGUJHJFECAM-SJORKVTESA-N	365.424	2.444	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2124531768	GLNGJSYUWFUYCE-BFHYXJOUSA-N	367.450	2.417	10	10	FECE	
CCCN1CC[C@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1	1253542428	KLFIRHVSPIUZQC-HKUYNNGSSA-N	361.534	2.139	10	10	FECE	
CC(C)(CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)CC(F)F	1331700448	MDXVNUVIJDSGIE-UHFFFAOYSA-N	365.424	2.477	10	10	FECE	
CCc1nc(C)c(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)o1	1439325275	GONVIVJCVPAHSK-UHFFFAOYSA-N	370.453	2.177	10	10	FECE	
COc1ccc(N2CCCN(CC[S@@](=O)C(F)(F)F)CC2)cc1	1615220099	YQHIYCJKAIUQGL-HSZRJFAPSA-N	350.406	2.476	10	10	FECE	
COc1ccc(CNC(=O)c2cc(C(C)(C)C)n3ncnc3n2)c(O)c1	1626079569	HBXTWWVTLAYKOR-UHFFFAOYSA-N	355.398	2.066	10	10	FECE	
Cc1nc(O)c(Br)cc1C(=O)NCc1cccc(O)c1O	1643813005	VTXYNPQSIPBZRH-UHFFFAOYSA-N	353.172	2.199	10	10	FECE	
CCN(CC)c1ccc(CNCCC(=O)N2CCC[C@@H](C(=O)O)C2)cc1	1857862229	FXLKANROFMTBBX-QGZVFWFLSA-N	361.486	2.336	10	10	FECE	
O=C(O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1c1cc(O)c(O)c(O)c1	1951592713	PVYGTFNEEJNWRL-KBPBESRZSA-N	373.361	2.240	10	10	FECE	
CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2CC(N=[N+]=[N-])C2)C1	2010391736	AXAGTMOSPNPBJF-CRAIPNDOSA-N	373.413	2.324	10	10	FECE	
CNCc1ccc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1Br	2170654884	ZTOSBAUXEPNOAU-GHMZBOCLSA-N	363.321	2.426	10	10	FECE	
C[C@H]1CN(C[C@@H](O)COc2ccc(N)cc2)CCN1Cc1ccccc1	396483175	MVYXTLATAKSNSR-FXAWDEMLSA-N	355.482	2.215	10	10	FECE	
C[C@@H](O)c1ccc(N2CC(C)(CS(C)(=O)=O)C2)cc1Br	2173194072	ALGOVEQLNHJQQO-SNVBAGLBSA-N	362.289	2.373	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N(C)C[C@@H](C)NC(=O)OC(C)(C)C	2044598447	RZSOXIGTLZCBLL-OLZOCXBDSA-N	350.463	2.441	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2cccc(F)c2O)[C@@H](CO)C1	2052711401	IZOWEQHTIYIPNV-HIFRSBDPSA-N	354.422	2.239	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060636670	ALQKFMMRGRTBHY-YNEHKIRRSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)N1CCC(N=[N+]=[N-])CC1	2060608342	GLAWUCAZVDLOBU-MRXNPFEDSA-N	353.423	2.050	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](CO)(NCc2cccc(F)c2O)C1	2070038354	XPURXGZNQUMSTL-GOSISDBHSA-N	354.422	2.383	10	10	FECE	
CC(C)(C)OC(=O)NCCc1nc(=NCc2cccc(O)c2O)s[nH]1	2222332872	GBUNVZLGFIIEBZ-UHFFFAOYSA-N	366.443	2.051	10	10	FECE	
O=S(=O)(CCNCc1cc(Br)cc(F)c1O)C(F)F	2224291257	FLJIEKZUWSMTAQ-UHFFFAOYSA-N	362.167	2.021	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc3c(c2)OCCO3)C[C@H]1CO	2226763794	BZLFPWIHYHMRGH-ZFWWWQNUSA-N	364.442	2.170	10	10	FECE	
O=C1NC(=S)N(Cc2ccccc2)C(=O)C1=CNCCc1ccccc1	2296930481	BIDVUOCYCXPOBM-UHFFFAOYSA-N	365.458	2.146	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@]12COC[C@H]1CN(C(=O)OC(C)(C)C)C2	2315986422	CZNPDTYIPNABSJ-MLGOLLRUSA-N	353.423	2.029	10	10	FECE	
CCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)NC1=O	102836104	MUYMJTJQJJCERV-DHZHZOJOSA-N	360.464	2.314	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC[C@H](CNC(C)=O)C2)c([N+](=O)[O-])c1	67385086	LSOXEAYILDLBJO-PMGBHYCQSA-N	361.398	2.134	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN[C@H](C)c3ccncc3)CC2)cc1	182076726	QVDNEZQUHLTFDI-MRXNPFEDSA-N	354.454	2.090	10	10	FECE	
Cc1n[nH]c([C@@H]2CN(Cc3cccc(Br)c3O)CCO2)n1	180112825	DIQFULAWYGBJIO-LBPRGKRZSA-N	353.220	2.155	10	10	FECE	
CS(=O)(=O)N1CCN(c2cccc(NC(=O)c3ccccc3)c2)CC1	41375624	TVTBAOUSOYKJDZ-UHFFFAOYSA-N	359.451	2.021	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCOC[C@H]3C)cc2F)CC1	194309731	GNYBDZMWTUDUAP-NVXWUHKLSA-N	363.477	2.256	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)Cc3ccc(N)cc3)cn2)C[C@H](C)O1	237661389	VPZHDJXCLNHTOS-GJZGRUSLSA-N	354.454	2.136	10	10	FECE	
CC[C@H](c1cc(Br)ccc1O)N1CC(N2CCNCC2)C1	90308370	QOCJTLHKSDJPJQ-OAHLLOKOSA-N	354.292	2.195	10	10	FECE	
Cc1cc(C(=O)CN(C[C@@H](C)O)[C@H](C)CO)c(C)n1-c1ccc(F)cc1	248991619	XFIMZRSGIPZIHS-HUUCEWRRSA-N	362.445	2.480	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1	287638921	OOVIGLPPORIISO-AWEZNQCLSA-N	372.469	2.300	10	10	FECE	
COc1ccc(N2CC[C@H](CNS(=O)(=O)N3CCC[C@H](C)C3)C2)cc1	819889602	FQOFOKQVFLHBHC-JKSUJKDBSA-N	367.515	2.088	10	10	FECE	
O=C(C[C@H](O)Cc1ccccc1)NCc1ccc(N2CCOCC2)cc1	813419017	BRBARFQZVATXJS-HXUWFJFHSA-N	354.450	2.133	10	10	FECE	
CCO[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])c(OC)c2O)[C@@H]1n1cccn1	816672261	UXWYJMNNGOULPN-YUELXQCFSA-N	362.386	2.014	10	10	FECE	
O=C(/C=C\[C@@H]1CCOC1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	828259029	JCIIBEZPMIUTGJ-DASIIQCKSA-N	369.509	2.428	10	10	FECE	
COc1cc(Br)cc(CN2CC[C@@H](O)C(F)(F)C2)c1O	826959034	WZXMLQOADPJWRO-LLVKDONJSA-N	352.175	2.365	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)CNC(=O)c2ccccn2)cc1	739687252	CKXQNKBDLGCPBJ-UHFFFAOYSA-N	354.454	2.316	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)c3cnc(C(C)C)[nH]3)C2)cc1	849415475	AMCJNZMOOTYDDN-CYBMUJFWSA-N	364.471	2.099	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCO[C@]2(CCOC2)C1	840482352	WSDVGTOIZVXVKI-OXQOHEQNSA-N	361.486	2.193	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)OCC(=O)c3cn(C)nn3)c2C)cc1	845076408	KKYZZLKFROOLGM-UHFFFAOYSA-N	368.393	2.271	10	10	FECE	
Cc1ccccc1OCCCN(C)Cc1cc(O)n2ncc(C(=O)O)c2n1	846239198	HAVLZDNXIRCPIT-UHFFFAOYSA-N	370.409	2.342	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NC[C@@]2(C)CCC(=O)N2)c1O	848552109	HETPSYVIAKGIFQ-RFAUZJTJSA-N	357.248	2.483	10	10	FECE	
CN1CC[C@@H](C(=O)NCc2cc(Cl)ccc2O)[C@H](c2cnn(C)c2)C1	849605800	JXJAJWWGDZHYTB-CVEARBPZSA-N	362.861	2.131	10	10	FECE	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H]2C[C@@H]3CC[C@H]2N3)cc1	1343524585	AWNRJDQEDWGMGR-MTFMMBMASA-N	357.498	2.401	10	10	FECE	
C[C@@H]1[C@@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)C[C@H]2CC[C@H]1N2	925690704	GEJXNJJLXMAIOH-GGBBIFEXSA-N	351.441	2.420	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1	922916491	VKQLJNPESGBFNF-WLWJZTKJSA-N	361.486	2.095	10	10	FECE	
O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H]1CCN1C1CCOCC1	927643503	JDHRIYIHEKVHMI-KRWDZBQOSA-N	373.497	2.324	10	10	FECE	
CCN1CCN(c2ccc(CNCc3cc4n(n3)CCC4)cc2F)CC1	850125615	HWOXCSJNQLSVEW-UHFFFAOYSA-N	357.477	2.400	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCCn2ccnn2)c1	860760261	YRZJUZFSZCRTCS-UHFFFAOYSA-N	351.410	2.318	10	10	FECE	
O=C(NCc1cccc(Br)c1O)C1(N2CCOCC2)CCC1	765765463	RXQQLTMGXLYZSB-UHFFFAOYSA-N	369.259	2.026	10	10	FECE	
COC(=O)N1CCC[C@H]([C@H](C)NCc2ccc(N3CCN(C)CC3)cc2)C1	775349337	ZJEDAPWPMYVHHK-HKUYNNGSSA-N	374.529	2.395	10	10	FECE	
Cc1[nH]ccc(=NC(=O)NCCc2ccc(O)c(O)c2)c1Br	782864293	VTYMFGHVSORMTN-UHFFFAOYSA-N	366.215	2.350	10	10	FECE	
CO[C@@](C)(CNC(=O)COc1ccc(N)cc1)COCc1ccccc1	702816587	DFYJMWCZMGJQCJ-FQEVSTJZSA-N	358.438	2.386	10	10	FECE	
COC(=O)c1c(CNCCCCS(C)(=O)=O)c2cc(F)ccc2n1C	895051406	GGGJKGCRAWHCKC-UHFFFAOYSA-N	370.446	2.018	10	10	FECE	
O=C1Nc2cc(N3C[C@@H]4CN(Cc5ccccc5)C[C@@H]4C3)c(F)cc2[C@H]1O	705879009	QEUSIHRJCSCNCL-QEEYODRMSA-N	367.424	2.379	10	10	FECE	
CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NCc1c(O)cccc1F	1156171336	ZNOOLMJYIXIJJY-RCGFYWBFSA-N	352.431	2.405	10	10	FECE	
O=Cc1ccc(OCC(=O)NCc2cccc(Cl)c2O)c([N+](=O)[O-])c1	1159033116	BTUWBBZGCAVTNF-UHFFFAOYSA-N	364.741	2.462	10	10	FECE	
C[C@H](NC(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@@H]1CN(C)CCN1C	1313427181	XMSPCPJFZHWJEO-PXNSSMCTSA-N	373.545	2.063	10	10	FECE	
Cn1cc(C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)c(=NC(=O)OC(C)(C)C)[nH]1	2124513751	UCADYNPUKRMDME-NSHDSACASA-N	363.422	2.494	10	10	FECE	
O=C(C(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1)N1Cc2cccc(O)c2C1	1332073524	FLAAIXHEIWUARJ-YJBOKZPZSA-N	358.438	2.042	10	10	FECE	
C[C@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C[C@@H](C)N1C	1256237013	OSLAKXNPHFZMTH-JTDSTZFVSA-N	361.534	2.089	10	10	FECE	
O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]12)C(=O)NCc1ccc(N2CC=CC2)cc1	1332901176	CXRBRLZJYAKUAB-SCTDSRPQSA-N	353.466	2.231	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](CO)(NCc2ccc3c(c2)CCCO3)C1	2133750199	RHTUDUWDFFYYJA-HXUWFJFHSA-N	362.470	2.473	10	10	FECE	
COc1cccc(CNC(=O)N[C@@H](c2nccn2C)C(F)(F)F)c1O	1347595538	GETWLMVLKQNJIU-LBPRGKRZSA-N	358.320	2.237	10	10	FECE	
CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)Cc1ccc(N)cc1	1915012926	YIJXVDBSQPJAMJ-UHFFFAOYSA-N	370.478	2.475	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCc2nnn(C)c2C1	1352615930	TZLLPLPPAKFPAM-MRXNPFEDSA-N	353.470	2.179	10	10	FECE	
Nc1ncnc2sc3c(c12)CCN(C(=O)/C=C/c1ccc(O)c(O)c1)C3	1466760429	LHEOEIWQUVZDND-DUXPYHPUSA-N	368.418	2.283	10	10	FECE	
COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)Cc1ccc(O)c(O)c1	1463798884	JMCFTCXWTHLKLS-CQSZACIVSA-N	357.406	2.478	10	10	FECE	
CC[C@H](COCC1CC1)NC(=O)NCc1ccc(N2CCN(C)CC2)cc1	1478961318	WTIRZJLRQGRPQN-LJQANCHMSA-N	374.529	2.443	10	10	FECE	
COc1cccc(CC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)n1	1622579292	VWDJZDSAXATZFF-UHFFFAOYSA-N	359.401	2.129	10	10	FECE	
CCN1CCC[C@H](NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1=O	1636267717	SOKHKFXVUXAYBW-YJBOKZPZSA-N	360.502	2.302	10	10	FECE	
CCNS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](C)c2ccccc2O)c1	1643741845	BZCZTTSOYJVPSC-NSHDSACASA-N	366.414	2.321	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN3CCC=C(Cl)C3)CC2)cc1	1646548922	TUQRMHRUBDVLPN-GOSISDBHSA-N	365.905	2.007	10	10	FECE	
Cc1cccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H]2CCCO2)c1O	2139762318	QNJUZTZUKYXLCH-HUUCEWRRSA-N	364.442	2.389	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)N3CCC[C@@H]3C3CC3)C2)cc1	1325973444	HMKATYSMLYNJKU-DNVCBOLYSA-N	371.481	2.039	10	10	FECE	
N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1(CCOCc2ccccc2)CC1	2146508412	VBUNEQYOFRUYCF-KRWDZBQOSA-N	370.449	2.223	10	10	FECE	
COC1(CN[C@@H](C)c2cc(O)ccc2O)CN(C(=O)OC(C)(C)C)C1	2040145315	IMGWYNFNIDTPFB-LBPRGKRZSA-N	352.431	2.384	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(F)ccc2O)[C@H](CO)C1	2052710916	FZKMQCFFQVQDBD-ZFWWWQNUSA-N	354.422	2.239	10	10	FECE	
CO[C@@]1(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)CCCN(C(=O)OC(C)(C)C)C1	2060614107	YIKQALZYKSSPMQ-WBMJQRKESA-N	353.423	2.314	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)c1nc(=NCc2ccc(F)cc2O)[nH][nH]1	2084177831	VJPLQDMCRHKQKF-SECBINFHSA-N	351.382	2.269	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1CC2(CN(C(=O)OC(C)(C)C)C2)C1	2106687484	YFGGUFLOGOADID-CYBMUJFWSA-N	360.458	2.149	10	10	FECE	
CCN(C[C@H](C)NC(=O)OC(C)(C)C)C[C@@H](O)COc1ccc(N)cc1	2106760681	QPCRJZULNHVNPB-GOEBONIOSA-N	367.490	2.244	10	10	FECE	
Cc1ccc(-c2ccc(C=C3C(=O)NC(=S)N(C)C3=O)o2)cc1[N+](=O)[O-]	2294216992	WUAFYNJXDNMZTF-UHFFFAOYSA-N	371.374	2.420	10	10	FECE	
COc1ccc(C(=O)NCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1	23744897	GLYORLYFLDSGJB-UHFFFAOYSA-N	355.438	2.150	10	10	FECE	
COc1ccccc1C(=O)N1CCN(c2ccc3c(c2)CC(=O)N3)CC1	62575920	LYMWLXBMIRISKM-UHFFFAOYSA-N	351.406	2.152	10	10	FECE	
COc1ccnc(N2CCC(C(=O)NCc3ccc(N(C)C)cc3)CC2)n1	29061184	HQFBPDZONUYGQD-UHFFFAOYSA-N	369.469	2.084	10	10	FECE	
CN(CC(=O)NCc1cccc(N2CCCC2=O)c1)Cc1ccccc1O	171937377	TWOUBRZHWQYTQU-UHFFFAOYSA-N	367.449	2.267	10	10	FECE	
COc1ccc(N2CCN(C(=O)CNC(=O)Oc3ccccc3)CC2)cc1	41428781	JFLIDJNQSYZHTQ-UHFFFAOYSA-N	369.421	2.132	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)CCc2ccco2)N2CCOCC2)cc1	36197071	IIYFATHGUFMUAC-HXUWFJFHSA-N	371.481	2.468	10	10	FECE	
CCN(Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O	301193423	YPGLPRIZXGYDDH-HNNXBMFYSA-N	358.394	2.325	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H](CCO)c1ccccc1	77787211	BIWQTUVDTFBEAI-HXUWFJFHSA-N	369.465	2.446	10	10	FECE	
CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](C)c1cc(OC)ccc1O	87250682	BRLINYJVVMTWJB-SMDDNHRTSA-N	359.430	2.450	10	10	FECE	
COc1ccc(N2CCN(c3nc(C)cc(NCCN(C)C)n3)CC2)cc1	243243385	KNXBJJIGMRGSJN-UHFFFAOYSA-N	370.501	2.094	10	10	FECE	
COc1cccc([C@@H]2N[C@H](CO)[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1O	247905805	HRQVLOKKBVHXGJ-RMJJICAUSA-N	354.450	2.154	10	10	FECE	
Cc1ccc(CNC(=O)C[C@@]2(N)CCSC2)c(O)c1Br	2381145391	DPAUDKSUAHYJJF-AWEZNQCLSA-N	359.289	2.304	10	10	FECE	
COc1ccc(N2CCN(CCNc3ncc(SC)cn3)CC2)cc1	804387937	LUVAXGPXRDISHF-UHFFFAOYSA-N	359.499	2.441	10	10	FECE	
CN(c1ccc(CNC[C@@H](O)CN2CCOCC2)cc1)C1CCCCC1	818981522	VTTHZXXJKXROAV-OAQYLSRUSA-N	361.530	2.238	10	10	FECE	
COc1ccc(N2CCN(CCNC[C@@H](O)c3ccccc3C)CC2)cc1	818983115	YAXGEIWMUUTOAW-JOCHJYFZSA-N	369.509	2.449	10	10	FECE	
CN(C)c1ccc(/C=C/CN[C@@H]2CCCN(Cc3nccn3C)C2=O)cc1	835048409	RIUANEGYAZHFOO-FHHGHWCOSA-N	367.497	2.280	10	10	FECE	
COC(=O)c1cn([C@@H]2CCCN(C/C=C\c3ccc(N(C)C)cc3)C2)nn1	835047726	VBRADESNONWRID-WLPBJKJWSA-N	369.469	2.481	10	10	FECE	
Cn1cc([C@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)O)cn1	841806009	ALPGOUQSRNQZJJ-KRWDZBQOSA-N	373.413	2.234	10	10	FECE	
CC[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CCCCO1	848939180	FQNQZQPSHLWLFT-MSOLQXFVSA-N	361.486	2.175	10	10	FECE	
COc1ccc(N2CC[C@@H](N3C(=O)N[C@@H](c4ccc(O)cc4)C3=O)C2)cc1	849356335	DOXGDQXNQSHYLF-QAPCUYQASA-N	367.405	2.273	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3cc(C)cc(F)c3)C2)cc1	850537203	NTOREIDZGGWOLF-OAHLLOKOSA-N	371.412	2.476	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCCc4n[nH]cc4C3)C2)cc1	852986774	KNPNQBNYGFALDX-HNNXBMFYSA-N	355.442	2.155	10	10	FECE	
C[C@@]1(C(F)F)CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CCO1	852005490	VMHBFVIGINYNQL-SFHVURJKSA-N	369.412	2.089	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1C[C@@H](O)C12CCC2	853436050	PXJCBGGPIOGLCJ-IAGOWNOFSA-N	361.511	2.343	10	10	FECE	
COC(=O)Cc1cccc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	855224598	GGKIBENRBPTQLN-QGZVFWFLSA-N	368.433	2.419	10	10	FECE	
COc1ccc(O)c(CNC(=O)N[C@H]2CCC[C@H]2Cc2cnn(C)c2)c1	853736578	GWHZSHWYYHKIMF-YOEHRIQHSA-N	358.442	2.345	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CNC(=O)CC3CCCC3)C2)cc1	855232017	ZZZJMLBKXRDEOA-MRXNPFEDSA-N	359.470	2.087	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2c(C)cnn2C)cc1	850344994	FGKNCHHZHHAPMB-UHFFFAOYSA-N	357.458	2.172	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CNC[C@H](n2cccn2)C(F)(F)F)c1O	862434944	LANQAAKKEREFEO-NSHDSACASA-N	360.292	2.399	10	10	FECE	
Oc1cccc(Br)c1CN1CCC(N2CC[C@@H](O)C2)CC1	862418307	MQKZULLGCBSWLP-CYBMUJFWSA-N	355.276	2.186	10	10	FECE	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H](O)c2cnc[nH]2)cc1	864794353	KQSWRTJHXISEFQ-GOSISDBHSA-N	354.410	2.331	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H](c2ccc(O)cc2)C1	1118820021	GMESEKWSRYFJGU-HNNXBMFYSA-N	354.406	2.072	10	10	FECE	
Cc1cc(C(=O)COC(=O)[C@H]2NC(=O)O[C@H]2C)c(C)n1-c1ccc(F)cc1	786064503	BTQIZYXRSIQGRB-SJCJKPOMSA-N	374.368	2.456	10	10	FECE	
CCN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@H](C)CS(C)(=O)=O	896332724	NIRPIPPHWCJPSA-SECBINFHSA-N	357.453	2.208	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H]1CN1CCOCC1	896697591	JNWIFENCASBAPG-ZDUSSCGKSA-N	362.451	2.249	10	10	FECE	
C[C@@H]1OCCN(Cc2cc(Cl)cc(Br)c2O)[C@@H]1C(=O)O	708076563	XBKUWHPBTNDFSM-CPCISQLKSA-N	364.623	2.482	10	10	FECE	
COc1ccc(CNS(=O)(=O)c2ccccc2Cn2ccnc2)c(O)c1	799820841	WSQOEBATBJCAOC-UHFFFAOYSA-N	373.434	2.124	10	10	FECE	
COc1cccc(CNC(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1O	1313369541	YBXTVYIYDUDDMD-BETUJISGSA-N	365.430	2.256	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1CC(=O)NCCc1ccc(O)c(O)c1	2126624074	WMBDCXJVFBITJD-KGLIPLIRSA-N	364.442	2.450	10	10	FECE	
O=C(NC1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1)C1CC1	1332739988	XJOKMWMABGJMPG-UHFFFAOYSA-N	360.435	2.443	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)NCC2(CN=[N+]=[N-])CC2)C1	2124541379	SADSARAWQNPONO-SJCJKPOMSA-N	365.434	2.077	10	10	FECE	
CC(C)(O)CCN(Cc1ccccc1)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1	1915776277	HPAVFWKAXAKSJP-KRWDZBQOSA-N	372.465	2.157	10	10	FECE	
Cc1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC(C)C)c(O)c1O	1468417955	SBQKLIZRTGKNSP-INIZCTEOSA-N	373.405	2.405	10	10	FECE	
CCN1CC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	1465532408	BTCTYNJTMKBUDT-CJNGLKHVSA-N	353.413	2.467	10	10	FECE	
COCCn1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)ccc1=O	1626125714	LPEZNVCSUURGSA-UHFFFAOYSA-N	360.391	2.373	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnc2n(c1=O)CCS2	1628950246	BNOVDITXHYRNIV-UHFFFAOYSA-N	370.478	2.221	10	10	FECE	
CCC[C@@H](C(=O)OCC)n1ccc(NC(=O)Cc2ccc(O)c(O)c2)n1	1632461895	BWFJFSLETFNJJL-ZDUSSCGKSA-N	361.398	2.380	10	10	FECE	
CS(=O)(=O)Nc1cccc(C(=O)NCc2ccc3cccnc3c2O)c1	1643283315	PUCUFLYVOHMWAG-UHFFFAOYSA-N	371.418	2.242	10	10	FECE	
CS(=O)(=O)Nc1ccc(C(=O)NCc2c(O)cccc2F)c(Cl)c1	1646035584	ZGHLKYZCFGXGSI-UHFFFAOYSA-N	372.805	2.486	10	10	FECE	
O=C(NCc1ccc(O)cc1O)[C@H](O)c1cccc(Br)c1	1570463277	LCDIETVXUYVYQC-CQSZACIVSA-N	352.184	2.210	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(N(C)C)n1	157122645	DRXWRBPVIGWLRT-UHFFFAOYSA-N	369.469	2.201	10	10	FECE	
CN(C)c1ccc([C@@H](NC(=O)c2ccc(O)cc2O)c2nccn2C)cc1	1865870467	LWKYMMZGLCNTGU-GOSISDBHSA-N	366.421	2.417	10	10	FECE	
CCCNC(=O)COc1cn(CCCOc2ccc(N)cc2)c(C)cc1=O	1857916636	FOVDPTZEUFDZRO-UHFFFAOYSA-N	373.453	2.113	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCO[C@H](CC(=O)NCc2ccccc2O)C1	1964891794	XSIHIUNRHQHORT-GJZGRUSLSA-N	364.442	2.471	10	10	FECE	
C[C@@H](O)c1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@H]32)c(Br)c1	2151274887	UZIVHEMSEDDNKV-GLXFQSAKSA-N	360.273	2.126	10	10	FECE	
Oc1cc(Cl)ccc1CN=c1[nH]ccnc1I	2008700397	YIHOELVYYRZJSM-UHFFFAOYSA-N	361.570	2.474	10	10	FECE	
C[C@H](N[C@@H]1[C@H](NC(=O)OC(C)(C)C)[C@H]2CCO[C@H]21)c1ccc(O)cc1O	311291650	AZMWUFUFUCPWFZ-PHJVOLQISA-N	364.442	2.429	10	10	FECE	
CN(C)c1ccc([C@H](N)c2cn(C)nc2I)cc1	2044753918	FWRXWZBBORHCCV-LBPRGKRZSA-N	356.211	2.139	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@@H](F)CN1C(=O)c1cccc(O)c1O	2054409539	DKVGHMUQNXCAKD-GHMZBOCLSA-N	354.378	2.175	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H](O)C(C)(C)NC(=O)OC(C)(C)C	2060496144	SJCHPUFWSBYDHJ-AWEZNQCLSA-N	352.431	2.015	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCC(N=[N+]=[N-])CC2)CCCOC1	2060616424	ALNUYFUWNJONNX-INIZCTEOSA-N	353.423	2.362	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2060622218	XJZBELWFZVBGDC-CHWSQXEVSA-N	353.423	2.218	10	10	FECE	
C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2060636051	STGKYSVIJSTVAZ-VXGBXAGGSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@]1(C)C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2081170585	OONGMGJWFBHQQA-WBMJQRKESA-N	353.423	2.314	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](N)COCc3ccccc3)CC2)cc1	2095544072	VESOHJVCVJLRRX-LJQANCHMSA-N	355.482	2.361	10	10	FECE	
CC(C)(C)OC(=O)NCCc1nc(=NCc2cc(F)ccc2O)s[nH]1	2222334965	KQCCMZLMDGPUGN-UHFFFAOYSA-N	368.434	2.484	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](CNCc2ccc(N)cc2)[C@H]1OC	2264755020	XZPFFHVSHZRPRB-GVDBMIGSSA-N	365.474	2.008	10	10	FECE	
O=C(O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccccc2F)SC1=S	2296882892	BYCHYEZRYMYIHZ-SNVBAGLBSA-N	369.395	2.345	10	10	FECE	
CC(C)OC(=O)[C@H](C)CNC(=O)C=Cc1ccc(N2CCOCC2)cc1	2297680885	VMUWECRKRPVRSA-MRXNPFEDSA-N	360.454	2.240	10	10	FECE	
Cc1cc(C(=O)N2CCN(C(=O)C=Cc3ccc(O)c(O)c3)CC2)c(C)o1	2307996848	ZZWRMDXZGVDFEC-UHFFFAOYSA-N	370.405	2.305	10	10	FECE	
C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C(=O)NCc1ccco1	176193047	RLVWTQDNKFJJED-ZDUSSCGKSA-N	371.437	2.368	10	10	FECE	
CC[C@@H](NCCC(=O)NCCOC)c1cc(Br)ccc1O	228349637	SAPRIJLTIZIBGZ-CYBMUJFWSA-N	359.264	2.348	10	10	FECE	
CCC[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCN1CCOC	91858338	PMCUTZFAYUHSPM-OAQYLSRUSA-N	361.530	2.456	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)CC2)cc1	246909851	MJMKTZMWQAKEGP-RCCFBDPRSA-N	359.470	2.340	10	10	FECE	
C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)CCN1C	266765818	PSLNMKPKVKADQZ-VQIMIIECSA-N	360.502	2.147	10	10	FECE	
C[C@H](CO)[C@@H](C)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	295711398	KEKMUHABXRNYPE-CHWSQXEVSA-N	366.417	2.007	10	10	FECE	
O=C(NCCOC[C@H]1CCCO1)NCc1cc(Br)ccc1O	805123918	UNRXGPHOKSKTDM-CYBMUJFWSA-N	373.247	2.150	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2[C@H]3COC[C@H]32)C1	478032660	UMVMIYUSOMGBNS-LFUKPOHLSA-N	353.466	2.169	10	10	FECE	
Cn1cc(CC(=O)NCc2ccc(N3CCSCC3)cc2)c(Cl)n1	814406355	UCOQPZXRVKHWRV-UHFFFAOYSA-N	364.902	2.486	10	10	FECE	
Nc1ccc(Cc2nc(C(=O)N3CC[C@](O)(C(F)(F)F)C3)cs2)cc1	817948187	GBYOSLQKRISPMO-OAHLLOKOSA-N	371.384	2.455	10	10	FECE	
CC(C)(CNC(=O)NCCCSc1nccs1)[C@]1(O)CCOC1	826692408	GUTXRIFAWYPRGP-HNNXBMFYSA-N	359.517	2.102	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)CN2CCN(C3CC3)C2=O)cc1F	826940717	FKHMPVVGAJMBNF-UHFFFAOYSA-N	362.449	2.188	10	10	FECE	
CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1	730077916	JBWLAVHTGOBKAB-LRDDRELGSA-N	367.490	2.456	10	10	FECE	
CCC[C@@]1(C)C(=O)NCCN1C(=O)/C=C\c1ccc(N2CCOCC2)cc1	588550812	GDAAOXXLMSUSDE-AVKJRPAMSA-N	371.481	2.054	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C1CCOCC1)C1CC1	846744850	HSPXXTXPVDURJL-IBGZPJMESA-N	374.481	2.452	10	10	FECE	
O=C(O)/C=C/c1ccc(N2CC[C@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1	844215270	GLJQSIQYJQOCSO-ONJOJOEASA-N	360.288	2.442	10	10	FECE	
CN1CCN(c2ccc(CNCc3ccnc(-n4ccnc4)c3)cc2)CC1	850338986	IUAIKZPBOYLJED-UHFFFAOYSA-N	362.481	2.309	10	10	FECE	
COc1ccc(N2CCCN(C(=O)NCc3cncc(O)c3)CC2)cc1	927800410	GPGMZJAAULNLRO-UHFFFAOYSA-N	356.426	2.218	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN4CCCC[C@H]34)C2)cc1	852060838	YIOJPQRFZMSAHW-ZYSHUDEJSA-N	358.486	2.200	10	10	FECE	
COC1CCN(c2ccc(CN3CCc4c(O)nn(C)c4C3)cc2)CC1	931193970	URKPZIUVFQGFGG-UHFFFAOYSA-N	356.470	2.299	10	10	FECE	
Oc1cccc(Br)c1CN1CCC(N2CC[C@H](O)C2)CC1	862418308	MQKZULLGCBSWLP-ZDUSSCGKSA-N	355.276	2.186	10	10	FECE	
CCn1nccc1CN(CCO)Cc1cc(Cl)cc([N+](=O)[O-])c1O	793307398	NODIZUMRAUDRKK-UHFFFAOYSA-N	354.794	2.165	10	10	FECE	
CNC(=O)[C@]1(C)CCN(Cc2c(O)c(C(=O)OC)cc3ccccc23)C1	797416914	OWCKTZTWBCDOQF-HXUWFJFHSA-N	356.422	2.290	10	10	FECE	
CCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1ccccc1O	2124164900	CQJBMOFZFAYDSS-ZBFHGGJFSA-N	364.442	2.280	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@@H]1C[C@H]1F	2136240759	PPVUUAGPPMVFBG-XQQFMLRXSA-N	368.405	2.008	10	10	FECE	
C[C@@H](N[C@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1)c1cc(O)ccc1O	1918672114	QWYWYXMYVPYJQO-VXGBXAGGSA-N	352.431	2.119	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)Cn1nnnc1-c1ccccc1	1545505016	QGYQRICJNQBFAP-UHFFFAOYSA-N	351.410	2.485	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1CCNC(=O)c1ccco1	1762871338	VAXXECLOEBPGHZ-UHFFFAOYSA-N	369.425	2.206	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H]2COC[C@H](C)N2C(=O)OC(C)(C)C)c1O	2139760147	OQDDKAIQRGWHTG-ZFWWWQNUSA-N	364.442	2.341	10	10	FECE	
C[C@H]1CCc2c(sc(NC(=O)c3cc(O)c(O)c(O)c3)c2C(N)=O)C1	1865876551	SDMBQAIQMZUVMG-ZETCQYMHSA-N	362.407	2.341	10	10	FECE	
CN(C)c1ccc([C@@H](NC(=O)CC[C@H]2CCCN2)c2nccn2C)cc1	1866260149	GSHAQWKXAGSAGU-VQIMIIECSA-N	355.486	2.224	10	10	FECE	
Nc1ccc(OCC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)cc1	1999444984	GVTRTPYLVIQORD-UHFFFAOYSA-N	369.421	2.129	10	10	FECE	
Nc1ccc(CC(=O)N[C@@H]2CN(Cc3ccccc3)[C@@]3(CCOC3)C2)cc1	2154517025	KCEDIZZSJBUBMX-UNMCSNQZSA-N	365.477	2.361	10	10	FECE	
C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cccc(O)c1O	790942557	IVPPHUOZOKUTEB-AAEUAGOBSA-N	350.415	2.473	10	10	FECE	
CNCc1ccc(N(CCS(C)(=O)=O)C(C)C)cc1Br	2170167639	YVAYXBFUCQVLSQ-UHFFFAOYSA-N	363.321	2.428	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1cccc(O)c1O	2054398412	XUZKSIIQZPQHJU-RYUDHWBXSA-N	350.415	2.331	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2060638224	UMZJWPBJZNKXNH-JHJVBQTASA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])CO1	2060610376	HEVRUBPMKLBTKL-RWMBFGLXSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1COCCN1CCCOc1ccc(N)cc1	2106764154	GCIDAHNCXZATQZ-MRXNPFEDSA-N	365.474	2.263	10	10	FECE	
COc1ccc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c(CCN)c1	2235967628	IQOQMQYSKFOJFQ-YADHBBJMSA-N	367.493	2.286	10	10	FECE	
CC(C)(C)OC(=O)NCCn1cc(NC(=O)Cc2ccc(N)cc2)cn1	2229350057	YQJAXPJVYBDMCU-UHFFFAOYSA-N	359.430	2.171	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(N)cc1)[C@H](O)C(F)(F)F	2254203837	JOEXWWPHEWTQNJ-QWRGUYRKSA-N	363.336	2.024	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)N1CC[C@@H](CN=[N+]=[N-])C1)[C@H]1CCOC1	2259889041	FPGQMLUXKCVUQG-STQMWFEESA-N	353.423	2.171	10	10	FECE	
O=C(O)Cn1cc(C=C2C(=O)NN(c3ccccc3)C2=O)c2ccccc21	2296441587	OGFPIOFDEKLQHV-UHFFFAOYSA-N	361.357	2.187	10	10	FECE	
COc1ccccc1NC=C1C(=O)NC(=O)N(c2ccccc2OC)C1=O	2296740570	BKIGIXBTMIPWLZ-UHFFFAOYSA-N	367.361	2.283	10	10	FECE	
COc1cccc(C=C2SC(=S)N(CCCNC(C)=O)C2=O)c1	2323887438	AVINSPGJXVJXBI-UHFFFAOYSA-N	350.465	2.423	10	10	FECE	
Cn1cc(I)c(CN2CCc3cc(CN)ccc32)n1	2341778882	KCTMRYLMTONAJR-UHFFFAOYSA-N	368.222	2.046	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)Cn1cnc2ccccc2c1=O	115280076	ROTQYUWFFFHARW-UHFFFAOYSA-N	350.422	2.087	10	10	FECE	
Cc1cc(/C=C\C(=O)N2CCN3C(=O)NC[C@@H]3C2)c(C)n1-c1ccccc1	254974807	OCKZBRTUEQEXEQ-OLHLWXQYSA-N	364.449	2.343	10	10	FECE	
Cc1cc(Cl)cc(CN2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1O	289570213	JLXYLMKHJGRLSH-SUMWQHHRSA-N	351.834	2.307	10	10	FECE	
COc1nnc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)s1	282654708	IDDUGGTXWJWMKB-UHFFFAOYSA-N	367.406	2.049	10	10	FECE	
COCc1nc([C@H]2COCCN2Cc2cc(Cl)c(C)cc2O)no1	825461823	ORAMBUXNFRHLMO-CYBMUJFWSA-N	353.806	2.457	10	10	FECE	
COC(=O)C1CC2(C1)CN(Cc1cccc(Cl)c1O)C[C@H]2C(=O)O	903694912	JMDOAYIBOPDURR-JKGQDXBKSA-N	353.802	2.131	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cn2ccnc2s1	856212735	PQUBTEFCURXJNG-UHFFFAOYSA-N	356.451	2.287	10	10	FECE	
Nc1ccc(Cc2nc(C(=O)OC[C@H]3CCC4(COC4)O3)cs2)cc1	922603686	SWWGLYUNQLTWPL-CQSZACIVSA-N	360.435	2.421	10	10	FECE	
C[C@H](NC(=O)N[C@H](Cc1cncs1)C(=O)O)c1ccc(N(C)C)cc1	929046497	WCLVTOPYUOZXBY-XHDPSFHLSA-N	362.455	2.265	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CC(=O)N[C@@H]4CCCC[C@H]43)C2)cc1	855224869	HSLCFQMWOXKPMS-WQANXHIZSA-N	371.481	2.085	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3C[C@H]4CC[C@H]3[C@H](CO)C4)CC2)cc1	853643759	NZXVSCKMDNSOQU-FTRWYGJKSA-N	373.497	2.466	10	10	FECE	
Cc1ccc(O)c(CNC(=O)NCc2ccc(CN3CCNC3=O)cc2)c1	869133258	CGIQOMBIKHAQHZ-UHFFFAOYSA-N	368.437	2.225	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O	862028689	HUUZTMKAUZIFRG-RYUDHWBXSA-N	367.327	2.014	10	10	FECE	
CN1C(=O)N(Cc2ccc(N3CCN(CC4CC4)CC3)cc2)C(=O)C1(C)C	761928329	JOOBATZXFFBOLM-UHFFFAOYSA-N	370.497	2.391	10	10	FECE	
C[C@H]1c2ccccc2C[C@H]1NC(=O)C(=O)NCc1ccc(N(C)C)cc1	1118646957	YPGRMZBQBLKPIM-IFXJQAMLSA-N	351.450	2.213	10	10	FECE	
COC(=O)[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)c1cccc(O)c1	775107990	ASXSLTJXGPTFBP-AWEZNQCLSA-N	362.338	2.019	10	10	FECE	
COc1cc(F)c(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1OC	775285834	FFTQBXTYVNGIBG-UHFFFAOYSA-N	372.330	2.258	10	10	FECE	
COc1cc(C)cc(CNCC2(S(=O)(=O)NC(C)(C)C)CC2)c1O	895614882	WUHZBFVWOJSKEQ-UHFFFAOYSA-N	356.488	2.049	10	10	FECE	
COCC1(CNC(=O)NCc2ccc(N3CCN(C)CC3)cc2)CCCC1	1312869758	RAZROTFPRJBZBC-UHFFFAOYSA-N	374.529	2.444	10	10	FECE	
COc1ccc(CN[C@@H]2CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c(O)c1	2121661238	DSFZPDCQASALAD-INMHGKMJSA-N	364.442	2.125	10	10	FECE	
C[C@H](N=c1nc(CN(C)C(=O)OC(C)(C)C)[nH][nH]1)c1ccc(O)cc1O	2128847205	JDWQPWBLMUJKNQ-JTQLQIEISA-N	363.418	2.178	10	10	FECE	
COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1ccccc1O	2124030661	LOFGVYHUFPDDEN-DOMZBBRYSA-N	368.430	2.383	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2124509647	OOSTUQUMINJEGU-AHIWAGSCSA-N	365.434	2.314	10	10	FECE	
COC[C@@]1(C(=O)NCC2(CN=[N+]=[N-])CC2)CCN(C(=O)OC(C)(C)C)C1	2124503686	NWFXJDYLGVNHAJ-QGZVFWFLSA-N	367.450	2.467	10	10	FECE	
CC1(C)CC(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)C1	1330867632	YQTPMACYGYATFV-UHFFFAOYSA-N	361.511	2.161	10	10	FECE	
CCCCN(C)CC1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1	1331945534	AYJRRAGVISENKK-UHFFFAOYSA-N	373.497	2.205	10	10	FECE	
CC(C)OCc1cc(NS(=O)(=O)c2cccc(C(N)=O)c2)ccc1O	1343583449	XQQJNCJELZAEFH-UHFFFAOYSA-N	364.423	2.217	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)C(=O)NC3C[C@H]4C[C@@H]4C3)cc2)CC1	1349027031	ZIQQIWZLRDZDTI-IAGOWNOFSA-N	355.482	2.454	10	10	FECE	
Cc1cc(C(=O)N2CCN(C3CN(C)C3)CC2)c(C)n1-c1ccc(F)cc1	1522086908	LCWQXFOPNXKAEL-UHFFFAOYSA-N	370.472	2.305	10	10	FECE	
C[C@H]1C[C@H]1CNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136258435	IVSGFZUULHEKHD-UBHSHLNASA-N	364.442	2.306	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)c1cc(Br)cnc1F	1545668992	FCICLFBURDXJDS-UHFFFAOYSA-N	355.163	2.367	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCn3nc(C(C)(C)C)cc3C2)cc1	1560196599	OMYFGZRAJWQAFP-UHFFFAOYSA-N	369.513	2.379	10	10	FECE	
C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NCc1c(O)ccc2ccccc12	1635965220	RFCZLHNJNFTGBW-BFUOFWGJSA-N	370.449	2.217	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H](N3CCCC3=O)CC2)cc1	1642764797	UKIWVMLLNIQCFH-HNNXBMFYSA-N	357.414	2.466	10	10	FECE	
COCCN1CCC[C@H]1CN[C@@H](C)c1ccc(N2CCC(O)CC2)cc1	163276851	AFORNORYULNKGC-PXNSSMCTSA-N	361.530	2.409	10	10	FECE	
CCCn1nccc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2	153906381	UMGJOJBGMLTCLR-UHFFFAOYSA-N	356.426	2.132	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)C[C@H](CO)C1	1879575909	LZECJFWRBRZFKS-GDZNZVCISA-N	367.450	2.201	10	10	FECE	
O=[N+]([O-])c1ccc(N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)cc1CO	2153995372	HLMFUPXLKSVCBI-VQTJNVASSA-N	369.421	2.177	10	10	FECE	
Nc1ccc(CC(=O)NCC[C@H]2CN(Cc3ccccc3)CCO2)cc1	382497373	MFPMAVBYXQRGNN-FQEVSTJZSA-N	353.466	2.219	10	10	FECE	
COc1ccc([C@@H](C2CC2)n2nc(C(F)F)c(C(N)=O)c2N)c(O)c1	2079857467	ARYQAJCOEPNRIV-CYBMUJFWSA-N	352.341	2.215	10	10	FECE	
CN(Cc1ccccc1O)C(=O)NCCN(CC(=O)O)Cc1ccccc1	2192607734	WQEAHNMTDQETGA-UHFFFAOYSA-N	371.437	2.120	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1cccc(O)c1O	1178191386	XUZKSIIQZPQHJU-VXGBXAGGSA-N	350.415	2.331	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](Nc2c(N)cccc2C(N)=O)[C@H](F)C1	2046520067	FOKUGVOKFLLOPU-DGCLKSJQSA-N	352.410	2.127	10	10	FECE	
CC(C)(C)OC(=O)NC1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CC2(CCC2)C1	2049784249	ILLLQIHCSTXTQZ-JOCQHMNTSA-N	350.459	2.480	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)NCC2(CN=[N+]=[N-])CC2)N(C(=O)OC(C)(C)C)C1	2060611296	RLKPXLLQHOIUGM-VXGBXAGGSA-N	353.423	2.218	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)N2CC[C@@H](N=[N+]=[N-])C2)CN(C(=O)OC(C)(C)C)C1	2060632887	HASYNMQCGHAUEX-JHJVBQTASA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](CC(=O)N2CC(N=[N+]=[N-])C2)OCC1(C)C	2065371036	JSOGQJWUAXHTGO-LBPRGKRZSA-N	353.423	2.312	10	10	FECE	
C[C@@H]1C[C@H]1NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2080869786	QWODPQCDWJCUTC-RTXFEEFZSA-N	350.415	2.058	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(CNC(=O)COc2ccc(N)cc2)C1	2106267552	BGEGUMHSVPADPT-YJYMSZOUSA-N	361.442	2.021	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])C1	2218745916	OSWFTUBTKACRMK-AGIUHOORSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)C(=O)C[C@H]2C[C@H](N)C2)C2(CC2)C1	2261063042	YLAMSBJMBPCVHB-MGPQQGTHSA-N	350.459	2.289	10	10	FECE	
CCOC(=O)c1ccc2c(c1)N(C(=O)C=Cc1cnn(C)c1C)CCO2	2312008908	OTRIKPXKMJQSNU-UHFFFAOYSA-N	355.394	2.344	10	10	FECE	
CN[C@H](c1ccc(N(C)C)cc1)c1cc(I)nn1C	2335905175	NJPKUXJWGJIOSC-CQSZACIVSA-N	370.238	2.400	10	10	FECE	
NC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(Cl)cc([N+](=O)[O-])c1O	119779656	SHBCQZJIYCWJBQ-HNNXBMFYSA-N	361.785	2.366	10	10	FECE	
Cc1cncc(/C=C/C(=O)N2CCc3ccc(S(=O)(=O)N(C)C)cc32)c1	129846678	KFNUWRPNIJIVEF-QPJJXVBHSA-N	371.462	2.243	10	10	FECE	
O=C1Oc2ccccc2C(=O)/C1=[IH2]/c1ccccc1	33377113	SDTMNMLKRZMCPI-UHFFFAOYSA-N	366.154	2.266	10	10	FECE	
CO[C@H]([C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C(C)(C)N	1952830281	UUDLQEKEZCDFEX-IUODEOHRSA-N	354.447	2.286	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[C@]2(O)CCCC[C@H]2C1	248128423	OFIFODDIYYKMEN-GHTZIAJQSA-N	359.514	2.338	10	10	FECE	
O=c1c(NCc2ccc(N3CCOCC3)c(F)c2)nccn1C(F)F	288218061	VDSJIOIYYSWHAV-UHFFFAOYSA-N	354.332	2.226	10	10	FECE	
CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)NCCCSc1nccs1	806958339	GTGZFWIQCIXMEL-VXGBXAGGSA-N	361.533	2.083	10	10	FECE	
O=C1CN(Cc2ccccc2O)C(=O)N1CCc1cnc(C2CC2)nc1	819171526	YWAWWDYOSPCNIX-UHFFFAOYSA-N	352.394	2.067	10	10	FECE	
CCN(CC)CCS(=O)(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	810049283	NCPZJHXHDIJWPJ-KRWDZBQOSA-N	370.515	2.045	10	10	FECE	
COCCCn1ccc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)n1	821187274	CBJIKZZDESGMNU-OAHLLOKOSA-N	373.457	2.329	10	10	FECE	
C[C@@H]1Oc2cc(C(=O)O)ccc2N(OCCCOc2ccc(N)cc2)C1=O	821299818	OBZAUAPUFZNMSE-LBPRGKRZSA-N	372.377	2.482	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@H]1c1cnc[nH]1	820101240	ZXQFBAPLNBQFPH-QZTJIDSGSA-N	354.454	2.038	10	10	FECE	
Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1C(=O)/C=C\c1ccc(O)c(O)c1	588479497	RMZSRXAGPWTUQN-VXJUPVOZSA-N	370.380	2.258	10	10	FECE	
CCn1ccnc1CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1	836571226	BJLRTFTUFBVHBO-UHFFFAOYSA-N	357.458	2.380	10	10	FECE	
CCN(CC)c1ccc(CN2C(=O)N[C@H]([C@@H](O)c3cccnc3)C2=O)cc1	924485926	DDEYWJNNGDHCJV-MSOLQXFVSA-N	368.437	2.082	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](CC)[C@@H]3CCCCO3)nc12	847080601	PKVGTDPUZISFNL-GJZGRUSLSA-N	362.430	2.049	10	10	FECE	
CC(C)(C)OC(=O)[C@]1(NCc2ccc(N3CCOCC3)cc2)CCOC1	930992876	FFTKRHCMXBXCOO-FQEVSTJZSA-N	362.470	2.114	10	10	FECE	
CC(=O)N[C@](C)(C(=O)NCc1cc(Br)ccc1O)C(C)C	935960289	XLSLXENSJNXYOU-HNNXBMFYSA-N	357.248	2.322	10	10	FECE	
CCS(=O)(=O)C[C@@H](C)NCc1c(C(=O)OC)n(C)c2ccc(F)cc12	1119443430	NHHNRSFJKONOMO-LLVKDONJSA-N	370.446	2.017	10	10	FECE	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)CC(=O)NC)c2C)cc1	776283402	LTJCSTMDFVZIGN-UHFFFAOYSA-N	372.421	2.355	10	10	FECE	
CN1CCN(c2ccc(CNC[C@@H](O)Cc3ccc(F)cc3)cc2)CC1	886239555	ZSOGKQONWOIRSA-NRFANRHFSA-N	357.473	2.271	10	10	FECE	
COc1ccc(N2CCN(C(=O)Nc3nccc(N(C)C)n3)CC2)cc1F	797640647	RRJHYWFYFQNSNF-UHFFFAOYSA-N	374.420	2.044	10	10	FECE	
COc1ccc(N2CCC(NC(=O)Nc3nccc(N(C)C)n3)CC2)cc1	797641471	YSBHOZVLQPFYAV-UHFFFAOYSA-N	370.457	2.342	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCC[C@](CO)(Cc2ccccc2)C1	1141540983	DAGYPIJMBQQCHO-NRFANRHFSA-N	355.434	2.484	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCC3(SC)CC3)CC2)c(OC)c1	1312603266	VRWRKHDQMWFGLC-UHFFFAOYSA-N	365.499	2.431	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H]1OCC[C@@H]1CNC(=O)OC(C)(C)C	2124031678	UGLCYLWRVKUXDD-CZUORRHYSA-N	364.442	2.280	10	10	FECE	
C[C@@H]1COC[C@H](C(=O)N(C)Cc2ccccc2O)N1C(=O)OC(C)(C)C	2124184610	XTPGRHGRINDISQ-UKRRQHHQSA-N	364.442	2.375	10	10	FECE	
Cn1nc(C2CC2)cc1NC(=O)NCc1ccc(N2CCOCC2)cc1	1344487313	RPDMMKZCABLRBH-UHFFFAOYSA-N	355.442	2.456	10	10	FECE	
CCNc1cccnc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	1291756057	MUDHXHCIJHEWPN-UHFFFAOYSA-N	358.417	2.419	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)cc1	1453892091	BIYHOMKTSHGCOK-HNNXBMFYSA-N	372.406	2.249	10	10	FECE	
CC[C@@H](C)c1nnc(N2CCNC(=O)C2)n1Cc1ccc(N(C)C)cc1C	1291650569	SPZKXIIIUPIJGD-CQSZACIVSA-N	370.501	2.151	10	10	FECE	
COc1ccc(N2C[C@H](C(=O)NCc3c(O)cccc3F)CC2=O)cc1	1471974992	NXOZIMMRBHMCDD-GFCCVEGCSA-N	358.369	2.209	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1c[nH]cc1C1CC1	1611048803	ANGNSQISEVHDPS-HNNXBMFYSA-N	358.394	2.208	10	10	FECE	
COC1CCN(C2(CNC(=O)Cc3ccc(O)c(O)c3)CCCC2)CC1	1617773115	UMAZIBJCRZMZCM-UHFFFAOYSA-N	362.470	2.180	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@]1(O)CCCN(Cc2ccccc2)C1	1635658524	ZDZWIDJKISZMJW-NRFANRHFSA-N	354.450	2.378	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N2CCO[C@H]([C@H](C)O)C2)CCCC1	1637852405	QXQXGEBEOJJPQZ-XOBRGWDASA-N	372.465	2.137	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2cc(O)ccc2Cl)c1	1644555249	PXBCTOFNRCDRSR-UHFFFAOYSA-N	370.814	2.053	10	10	FECE	
CON(C)c1nnc(C(C)(C)C)n1Cc1ccc(N2CCOCC2)cc1	1770229705	MRDJUNTZZTVJLX-UHFFFAOYSA-N	359.474	2.458	10	10	FECE	
CC[C@H]1SC(=S)N(CCC(=O)Nc2ccc(C(=O)OC)cc2)C1=O	11635857	JCBJFLVVFDEZTR-GFCCVEGCSA-N	366.464	2.441	10	10	FECE	
CCOc1cccc(/C=C2/SC(=S)N([C@@H](C(=O)O)[C@H](C)O)C2=O)c1	1858596049	NGCRPCHKQMDXMZ-QUMQCBJBSA-N	367.448	2.121	10	10	FECE	
C[C@H](NCc1cccc(Br)c1O)[C@H]1CCCS(=O)(=O)C1	2146102109	CCRMYMOABQKRAL-JQWIXIFHSA-N	362.289	2.458	10	10	FECE	
CN(Cc1cnsc1)c1cc2c(cc1Br)[C@H](N)C(=O)N2	2150307054	KQMKNYCYJPRQEA-LBPRGKRZSA-N	353.245	2.494	10	10	FECE	
Nc1cc2c(cc1N1CCN(C(=O)OCc3ccccc3)CC1)OCCO2	1999532013	NNBQDXSDFWVMHN-UHFFFAOYSA-N	369.421	2.499	10	10	FECE	
CNCc1ccc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c(Br)c1	2170654598	XXYUNCYWIFPPPK-QWRGUYRKSA-N	363.321	2.426	10	10	FECE	
CN(Cc1nccs1)c1cc2c(cc1Br)[C@@H](N)C(=O)N2	387272746	HPVZJJADZRFTPI-GFCCVEGCSA-N	353.245	2.494	10	10	FECE	
CN(Cc1ccccc1O)C(=O)c1cnn(C)c1CNC(=O)OC(C)(C)C	2180724859	GGJCHPBFQSQXTL-UHFFFAOYSA-N	374.441	2.423	10	10	FECE	
Nc1ccc(CN2C[C@@H]3[C@@H]4CC[C@@H](CN4C(=O)C(F)(F)F)[C@H]3C2)cc1	1345159844	OEYULFANUVLZGR-UKMLZYKCSA-N	353.388	2.500	10	10	FECE	
C[C@H](CCNC(=O)OC(C)(C)C)N(C)C(=O)COc1ccc(N)cc1	2044646476	QCWGAYQMRIJVJJ-CYBMUJFWSA-N	351.447	2.409	10	10	FECE	
CN(CC(=O)Nc1ccc(N)cc1)C(C)(C)CNC(=O)OC(C)(C)C	2044617900	XIKPJSHAWLAHQU-UHFFFAOYSA-N	350.463	2.442	10	10	FECE	
CN(C(=O)OC(C)(C)C)C(C)(C)C(=O)NCCc1ccc(O)c(O)c1	2060385247	LTMUIJRFLUMDEM-UHFFFAOYSA-N	352.431	2.402	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N(C)[C@@H](C)c1ccccc1O	2060430268	MYHKAXYRCNOUIH-SLEUVZQESA-N	352.431	2.186	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccnn1C	2060621567	OVDFKNCZDSLJAS-LBPRGKRZSA-N	351.411	2.145	10	10	FECE	
C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2060640314	STGKYSVIJSTVAZ-NEPJUHHUSA-N	353.423	2.218	10	10	FECE	
COc1cc(Cl)cc(CN[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1O	2062452872	ZKDRJEKQHHDNSP-QWHCGFSZSA-N	372.849	2.124	10	10	FECE	
C[C@H](NC(=O)C1(N(C)C(=O)OC(C)(C)C)COC1)c1ccccc1O	2072478816	AUWGAZOVSFHITB-LBPRGKRZSA-N	350.415	2.205	10	10	FECE	
C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)COc1ccc(N)cc1	2106259113	IIBVGAQFGSKCOC-XJKSGUPXSA-N	363.458	2.409	10	10	FECE	
CC(C)(C)OC(=O)Nc1cnn(C(C)(C)C(=O)C(=O)C[C@H]2C[C@H](N)C2)c1	2112569639	NJJZKIFJGGQWEH-HAQNSBGRSA-N	364.446	2.231	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)CN(C(=O)c1ccc(O)c(O)c1)C2	2118165272	ZDNGPSAPLBEMCM-BETUJISGSA-N	362.426	2.427	10	10	FECE	
CS(=O)(=O)[C@@H]1CCC[C@@H]1NCc1cc(Br)cc(F)c1O	2205994808	CNGXLUIYALJJSC-NWDGAFQWSA-N	366.252	2.349	10	10	FECE	
O=C(O)CN1C(=O)C(=CC=Cc2ccc([N+](=O)[O-])cc2)SC1=S	2297554642	NSJJMWKNXHHMIK-UHFFFAOYSA-N	350.377	2.437	10	10	FECE	
COc1c(C(=O)NCCCSc2nccs2)cnc2c1cnn2C	182964980	IBNVUXRVJKFWNU-UHFFFAOYSA-N	363.468	2.346	10	10	FECE	
CN1CCCc2cc(CNC(=O)N[C@H]3CCCCC[C@@H]3C(N)=O)ccc21	131349928	VSEYRSGWAMJHKF-IRXDYDNUSA-N	358.486	2.302	10	10	FECE	
COc1ccc(N2CCN(c3cc(NCCCN(C)C)ncn3)CC2)cc1	242944577	HDMFKBGSCROVPZ-UHFFFAOYSA-N	370.501	2.175	10	10	FECE	
COc1nnc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)s1	282935304	WWMIWMIVDXEPBR-UHFFFAOYSA-N	363.443	2.047	10	10	FECE	
C[C@H]1CCN(C(=O)c2cccc(O)c2O)[C@@H](C)[C@H]1NC(=O)C(F)(F)F	288139962	KLPQGDBQUVMUPL-AUTRQRHGSA-N	360.332	2.015	10	10	FECE	
CC[C@@H](NC(=O)NC1CCN(c2ccc(OC)cc2)CC1)[C@H](O)C(F)F	838191056	PYJPGJRMWGLNTF-CVEARBPZSA-N	371.428	2.368	10	10	FECE	
C[C@@H](NC[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(N2CCOCC2)c(F)c1	848570458	LJBMMMUOONCKTG-CZUORRHYSA-N	363.433	2.296	10	10	FECE	
Cc1cc(C(=O)CN(C)[C@@H]2CCNC2)c(C)n1-c1ccc2c(c1)OCO2	843351368	LOXMUTIKWYCXSI-MRXNPFEDSA-N	355.438	2.299	10	10	FECE	
CCN1CCN(CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1	742242864	PSOYSBSEMZFTPZ-UHFFFAOYSA-N	358.530	2.273	10	10	FECE	
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	855329779	ALDICQJLHVLZGH-MEPZIYLKSA-N	373.327	2.311	10	10	FECE	
CCC1(CO)CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	854299882	SWMQCGNGQJBKOP-INIZCTEOSA-N	361.486	2.468	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CC[C@H]3NC(=O)CC[C@@H]3C2)c1O	853554487	AYNJLPKQANZNEA-RDTXWAMCSA-N	368.433	2.433	10	10	FECE	
Cc1cn2c(n1)C[C@H](C(=O)NCc1ccc(N3CCOCC3)c(F)c1)CC2	858626051	LUBCBLBMPCJUJA-MRXNPFEDSA-N	372.444	2.046	10	10	FECE	
C[C@H](NC(=O)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O	1352844925	LCGDIJPTTWWXGQ-ORAYPTAESA-N	364.442	2.331	10	10	FECE	
CC(=O)N1CCO[C@@H](C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1	930912672	BVZQGBDSICJYFZ-HXUWFJFHSA-N	373.497	2.319	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@]3(C4CCCC4)CCNC3=O)C2)cc1	862158874	NATSVGYOYQEITO-KKSFZXQISA-N	371.481	2.087	10	10	FECE	
CCO[C@@H](C(=O)N1CCCN(c2ccc(OC)cc2)CC1)[C@H]1CCOC1	864950262	WETMPBWQSSKVAE-QFBILLFUSA-N	362.470	2.176	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)N3CCO[C@@H](CC(N)=O)C3)c2C)c1	863488113	HABQUTHPLLGUDU-KRWDZBQOSA-N	355.438	2.119	10	10	FECE	
O=C(NCC[S@](=O)CC(F)(F)F)c1cc2cc(O)c(O)cc2s1	898583489	WGWOSRFKRNEBHT-QHCPKHFHSA-N	367.370	2.353	10	10	FECE	
COc1cc(Br)cc(CN2CCCn3nncc3C2)c1O	895757748	ZHEPMXNMUUFTFI-UHFFFAOYSA-N	353.220	2.161	10	10	FECE	
O=C1/C(=C\N2CCOCC2)SC(=S)N1c1ccccc1[N+](=O)[O-]	1084454798	WFWCZYDRFJGQCM-FMIVXFBMSA-N	351.409	2.133	10	10	FECE	
COC(=O)c1cccc2c1CCN2C(=O)c1cccnc1-c1cnn(C)c1	1178989335	NBWXSQQKARJOTC-UHFFFAOYSA-N	362.389	2.472	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCC2CCC(F)CC2)cc1F	1328271151	LHKQNWRUJWGRRD-UHFFFAOYSA-N	353.413	2.152	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H](O)CCN1C(=O)OC(C)(C)C	2124384852	BECKUKXPQYIZBE-GJZGRUSLSA-N	364.442	2.111	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2124539871	ABOUVMKCAWVSBI-PBFPGSCMSA-N	365.434	2.171	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CC(N=[N+]=[N-])C1	2124515846	BANXISDPNIQLIB-CQSZACIVSA-N	361.402	2.349	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1Cc2cccnc2C1	1346734526	INLFFBBNIZBCRJ-ZDUSSCGKSA-N	374.824	2.357	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1CC[C@H](O)[C@H](O)CC1	1263935852	OWCYZPKEBGDUCJ-IRTIRVBGSA-N	370.449	2.301	10	10	FECE	
[N-]=[N+]=NC[C@H]1CCCCN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1	1912147926	MTNMBZBIYMZDTN-KGLIPLIRSA-N	357.414	2.056	10	10	FECE	
CC(C)(C)OC(=O)NCCC1CN(C(=O)CCOc2ccc(N)cc2)C1	2134805450	UPCMZLNCVRBSMX-UHFFFAOYSA-N	363.458	2.411	10	10	FECE	
C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccc(N4CCN(C)CC4)cc3)CN2C1	1528846893	CJDDVCXWIAIYRK-QFUCXCTJSA-N	370.541	2.175	10	10	FECE	
Cc1c(F)ccc(N)c1C(=O)NCc1ccc(N2CCN(C)CC2)cc1	1471563339	DODQCXMHJKCSLA-UHFFFAOYSA-N	356.445	2.398	10	10	FECE	
O=C(Nc1ccccc1)[C@@H]1CSCN1C(=O)Cc1ccc(O)c(O)c1	1629558204	AHSSAABSJQCCLY-AWEZNQCLSA-N	358.419	2.181	10	10	FECE	
Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H](C)c1ccccc1O	1635799021	MILIFOZOUBNPGZ-ZDUSSCGKSA-N	362.451	2.442	10	10	FECE	
O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NCc1c(O)cccc1O	1652623326	TYLGBOKJTGAJAJ-UHFFFAOYSA-N	368.311	2.163	10	10	FECE	
C[C@@H](N[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O)c1ccccc1O	1654532295	NBIDONJTASGTBQ-DKSSEZFCSA-N	356.422	2.425	10	10	FECE	
Cc1nnc(N2CCCO[C@@H](C)C2)n1Cc1ccc(N2CCOCC2)cc1	1751924584	RKHUILUOSVIIDZ-INIZCTEOSA-N	371.485	2.087	10	10	FECE	
Cc1cc(CCNC(=O)N(C)[C@@H]2COC[C@H]2O)c(C)n1-c1ccccc1	1687218747	KBCOYZVSOBPFHS-RTBURBONSA-N	357.454	2.038	10	10	FECE	
CCOC(=O)c1ccccc1NC(=O)CCN1C(=O)[C@@H](C)SC1=S	11636054	IFUARSZVIUEAAM-SNVBAGLBSA-N	366.464	2.441	10	10	FECE	
O=C(N[C@H]1CCc2ncnn2C1)N(Cc1ccco1)Cc1ccccc1O	161363575	NPCBDWNBCMWJJU-HNNXBMFYSA-N	367.409	2.304	10	10	FECE	
Nc1ccc(OCCN2CCC[C@@H](NC(=O)Cc3ccccc3)C2)cc1	586060622	CBCQWIVWYXEFKK-LJQANCHMSA-N	353.466	2.471	10	10	FECE	
CC(C)(C)OC(=O)NCC12COC(C(=O)N3CC[C@@H](CN=[N+]=[N-])C3)(C1)C2	2142245987	KTOFZNZCONKHCP-CDEQTRAXSA-N	365.434	2.219	10	10	FECE	
COc1cc(NC(=O)c2nnn(-c3ccc(N)cc3)n2)c(OC)cc1Cl	1857878590	IYMVLFSFCRGYDM-UHFFFAOYSA-N	374.788	2.167	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)NCCCCN=[N+]=[N-])C1	1963732562	OPGJUUXZNPKJQW-MRXNPFEDSA-N	355.439	2.345	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])CCCO1	2060635785	PDEHTIVYSUHUFP-WBMJQRKESA-N	353.423	2.362	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H](N=[N+]=[N-])C1)[C@H]1CCOC1	2060621205	LBMVRONCMUVIDP-AVGNSLFASA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2060615905	UIZHXPYWSLPXJZ-YNEHKIRRSA-N	353.423	2.048	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1CC(=O)N1CCC[C@H](N=[N+]=[N-])C1	2067687538	ZIQCPCBBPAJLPR-FRRDWIJNSA-N	353.423	2.218	10	10	FECE	
CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)Nc2ccc(N)cc2)C1	2106703317	OBDMWABFLDZPOC-HUUCEWRRSA-N	364.446	2.415	10	10	FECE	
Nc1ccc(OCCN2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)cc1	2097695598	HVGMIAMKHKYSHA-SFTDATJTSA-N	353.466	2.233	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])C1	2218746611	RDFPXPZDOUFVIK-JHJVBQTASA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)NCCn1cc(NCc2ccc(O)c(O)c2O)cn1	2229351421	VHOQAGARVVFRSC-UHFFFAOYSA-N	364.402	2.137	10	10	FECE	
CN(C)CCCN(CCNC(=O)OC(C)(C)C)Cc1cc(N)ccc1O	2265828595	CZEBLNPWELBWBH-UHFFFAOYSA-N	366.506	2.253	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N1CCN(C(=O)c2ccc(F)cc2)CC1	2307982256	VWPXZJVGCGLHKO-UHFFFAOYSA-N	370.380	2.235	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)NCCCc1nnc2n1CCCCC2	2307987961	VITYHYMJDHSHFE-UHFFFAOYSA-N	356.426	2.178	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2312333218	DAQMKMWLONGCNY-BFQNTYOBSA-N	353.423	2.360	10	10	FECE	
CO[C@H]1C[C@@H](NCCc2ccc(O)c(O)c2)CN(C(=O)OC(C)(C)C)C1	2344386020	TWDNXXUQQFTLQG-CABCVRRESA-N	366.458	2.254	10	10	FECE	
CCCCc1ccc(N(C)C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1	175454986	KPJKUOPPRZELBK-JLHYYAGUSA-N	355.438	2.103	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](Cc1ccccc1)n1cnnn1	28495344	XBVDHRSXKSMAOS-IBGZPJMESA-N	364.453	2.182	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN(c2ncccn2)C1	32453345	SGNYPFPNDOTPPF-QGZVFWFLSA-N	353.470	2.418	10	10	FECE	
C[C@H](NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1)c1ccc(F)cc1O	185293900	OOVMPZJHVYNYIP-JEOXALJRSA-N	357.385	2.437	10	10	FECE	
COc1ccc(N2CCN(C(=O)C3(C(=O)N4CCCCC4)CC3)CC2)cc1	242915218	GVNSLUMIUSDDJP-UHFFFAOYSA-N	371.481	2.137	10	10	FECE	
CC1=C(C(=O)N=NC(=O)c2ccc3c(c2)OCO3)NN(c2ccccc2)N1	606346768	XLJPCDAKQHKOLH-UHFFFAOYSA-N	365.349	2.295	10	10	FECE	
CO[C@@H]1CN(C(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)CCO1	613815105	QTQYOMZZIRAJNZ-NRFANRHFSA-N	371.481	2.239	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cc3noc([C@@H]4CC4(C)C)n3)CC2)cc1	278221525	ZUHJSEKLCYCYDQ-INIZCTEOSA-N	370.453	2.483	10	10	FECE	
CN=c1[nH]nc(CN(C)Cc2ccc(C)c(Br)c2O)s1	2380780717	LDHNRDZLFGQEGJ-UHFFFAOYSA-N	357.277	2.410	10	10	FECE	
Cc1cnc(NC(=O)C(=O)NCc2cc(Br)ccc2O)s1	807386713	GBMRONHZSIOCKL-UHFFFAOYSA-N	370.228	2.175	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)N[C@H](C)c3ccsc3)C2)cc1	827714365	BTEUFVIGRBNVKC-HIFRSBDPSA-N	373.478	2.329	10	10	FECE	
CCOCCCN1CC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)[C@H](C)C1	588404781	SHUKSGZBGYLOLR-AKTONZINSA-N	362.470	2.364	10	10	FECE	
Cc1oc(CNC(=O)/C=C\c2ccc(N3CCOCC3)cc2)cc1C(=O)O	588592417	STUNXOKPUGHPGA-DAXSKMNVSA-N	370.405	2.452	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc([C@H]2CCC(=O)N2)cc1	907275030	VHBJADOJLXRVRX-MLGOLLRUSA-N	354.406	2.410	10	10	FECE	
CC(C)N(C[C@H](C)O)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	838746904	LSOHNHJTEQENQP-ZDUSSCGKSA-N	371.428	2.102	10	10	FECE	
C[C@H]1CN(c2ccc(CNS(=O)(=O)CC3(F)CC3)cc2F)C[C@@H](C)O1	913943826	XQILGAREIIPFQT-BETUJISGSA-N	374.453	2.361	10	10	FECE	
CN(C)c1ccc(/C=C/CNC[C@@H](N2CCNCC2)C(F)(F)F)cc1	841070046	IZCDSTASDCZTSN-REMYHPOOSA-N	356.436	2.192	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)O[C@@H]1CCOC1	914316797	DAZUYBBIABIPNZ-LJQANCHMSA-N	359.470	2.234	10	10	FECE	
COCCN(C[C@H]1CN(C2CC2)C(=O)O1)c1ccc(OC)c(OC)c1	844307027	GKPSXQQFOZLXFY-HNNXBMFYSA-N	350.415	2.140	10	10	FECE	
Cc1cc(CCNC(=O)[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1	746424342	LYIKYUIYYRKRNX-KRWDZBQOSA-N	360.479	2.188	10	10	FECE	
Cc1ncc(NC(=O)C(=O)NCc2cc(Cl)ccc2O)c(C2CC2)n1	846122620	YEKNPVYVOYTOCT-UHFFFAOYSA-N	360.801	2.276	10	10	FECE	
COC(=O)[C@@H]1CSCCN(Cc2cccc(Br)c2O)C1	840977872	NUEJRWUDGGFNRG-NSHDSACASA-N	360.273	2.493	10	10	FECE	
C[C@H](NC(=O)N1C[C@@H](C)C(O)[C@H](C)C1)c1ccc(N2CCOCC2)cc1	853487723	VJYLSERGTZHVDK-OAGGEKHMSA-N	361.486	2.243	10	10	FECE	
Cc1cc(CN2CCN(c3nccnn3)CC2)ccc1N1CCCCC1	859410136	YZJDFPAPZKJJKP-UHFFFAOYSA-N	352.486	2.493	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN[C@@H](C(C)C)C3CC3)CC2)cc1	853117637	YMLHEDWULSXVNU-FPOVZHCZSA-N	361.530	2.202	10	10	FECE	
CC[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1c(C)nn(C)c1C	754435127	YLRPILDYFLRNAC-GOSISDBHSA-N	357.502	2.460	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN3C[C@@H](C)CC[C@@H]3C)CC2)cc1	754049308	IPOFQBSJIJAGJH-BJLQDIEVSA-N	361.530	2.299	10	10	FECE	
CC[C@@H](N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(C)cc1O	858489617	IMYHFNLJWKQEPF-GDBMZVCRSA-N	352.442	2.458	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)NCCc3cncc(C)n3)C2)cc1	852388097	XEAUKPRWMLATJZ-MRXNPFEDSA-N	369.469	2.162	10	10	FECE	
CCOC(=O)c1cc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)on1	868515599	NBSQJVWBJKVZGL-LBPRGKRZSA-N	360.414	2.478	10	10	FECE	
COc1cc(Cl)cc(CNC(c2ccnn2C)c2ccnn2C)c1O	862539274	LIIGEPCYFHKRNC-UHFFFAOYSA-N	361.833	2.400	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1C[C@H]2COC[C@@H](C1)O2	861562028	JUQPRLIHUQUZLX-CALCHBBNSA-N	354.406	2.146	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CCN3C(=O)OCC[C@H]3C2)c1O	763313049	FNPAQMMDMQEWKR-AWEZNQCLSA-N	370.405	2.359	10	10	FECE	
CC(C)OC(=O)CNC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	767879363	CZCSOOVXQWJYQL-UHFFFAOYSA-N	371.481	2.476	10	10	FECE	
O=C1N[C@H](Cc2ccccn2)C(=O)N1Cc1ccc(N2CCCC2)cc1	761094905	ZWTBBCWKDWJFCD-GOSISDBHSA-N	350.422	2.345	10	10	FECE	
O=[N+]([O-])c1cc(NS(=O)(=O)c2cccc3nsnc23)ccc1O	775289098	QPGKRPWVULHPEU-UHFFFAOYSA-N	352.353	2.106	10	10	FECE	
C[C@H](NCCC1CS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1Cl	786948136	CWVNTQKVPCMZQX-ZDUSSCGKSA-N	372.918	2.262	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cc1nnn(C(C)(C)C)n1	1124550102	YNZUEXJPDIWPKJ-UHFFFAOYSA-N	356.474	2.229	10	10	FECE	
COC(=O)[C@@H](CNC(=O)c1ccc(C)c(O)c1O)Cc1cccc(F)c1	780933844	RCDWSJPYPIEEEY-CYBMUJFWSA-N	361.369	2.307	10	10	FECE	
Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)C[C@@H]2N=[N+]=[N-])cc1	1083817506	ISLMSHMWGIVDHX-GZBFAFLISA-N	371.353	2.081	10	10	FECE	
O=C(CCNC(=O)OCC(F)(F)F)NCCCSc1nccs1	1306540094	MZKUSPYQGDXXGS-UHFFFAOYSA-N	371.406	2.420	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	2124195627	SZXWKWQTBDCXSS-WOSRLPQWSA-N	362.426	2.012	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)NCCc3ccc(O)c(O)c3)C[C@@H]12	2124152484	GPFRJFAIRYLMQD-XEKQOVJPSA-N	362.426	2.060	10	10	FECE	
CN(C)CCN(CC(=O)N1CCC(CN=[N+]=[N-])CC1)C(=O)OC(C)(C)C	2124512348	LFHGVWOUHQKREO-UHFFFAOYSA-N	368.482	2.334	10	10	FECE	
C[C@]1(c2cccc(CNCc3c(O)cccc3Cl)c2)NC(=O)NC1=O	1251830772	OWLJABSTOIFEKC-GOSISDBHSA-N	359.813	2.390	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCC[C@@H]2CC2(Cl)Cl)cc1	1331067992	QXRLXMMMLLXPDI-GFCCVEGCSA-N	358.269	2.069	10	10	FECE	
COc1ccc(N2CCCN(C(=O)NCCN3CCC[C@H]3C)CC2)cc1	1251376523	HPJZGZXQFYMJQW-QGZVFWFLSA-N	360.502	2.401	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)NC[C@]12CCCC[C@@H]1C2	1334643535	LHCIXOSMXLIMJT-MLGOLLRUSA-N	353.513	2.438	10	10	FECE	
C[C@H](NC(=O)C(=O)NC[C@H]1CCC(C)(C)CO1)c1ccc(N(C)C)cc1	1332859846	VJERCFHOWZTDDJ-WMLDXEAASA-N	361.486	2.251	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)CN(C(=O)OC(C)(C)C)C1	2132409619	HAZBNZDIDLNTBE-PWSUYJOCSA-N	366.414	2.179	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)NCCC3CC=CC3)C2)cc1	1341617767	VRLRDDZZOAYLFM-QGZVFWFLSA-N	371.481	2.110	10	10	FECE	
Nc1ccc(OC[C@H](O)CN(Cc2ccccc2)[C@@H](CO)C2CC2)cc1	1915199357	WSNVSJRLAYDUOH-CTNGQTDRSA-N	356.466	2.282	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)CN2CCCCCCC2=O)N(C)C)cc1	1439962855	XUXKHQNYDCDHGU-LJQANCHMSA-N	374.529	2.264	10	10	FECE	
CCC1(N2CCCC2)CCN(C(=O)C(=O)N(C)Cc2ccccc2O)CC1	1351822274	HQPMISPIDZUBCP-UHFFFAOYSA-N	373.497	2.218	10	10	FECE	
CN1CCc2cc([C@H](O)[C@H](NC(=O)OCc3ccccc3)C(=O)O)ccc21	1917195400	SAOACJICTIAFGN-ROUUACIJSA-N	370.405	2.092	10	10	FECE	
C[C@@H](NCc1ccc(F)c(F)c1O)C1(O)CN(C(=O)OC(C)(C)C)C1	1918697964	VHLSZQCFMOXTMI-SNVBAGLBSA-N	358.385	2.130	10	10	FECE	
Cc1cc(CC(=O)N[C@@H](CO)CN(C)C)c(C)n1-c1ccc(Cl)cc1	1556503896	BCDPYPRIHAMNRI-QGZVFWFLSA-N	363.889	2.329	10	10	FECE	
C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1noc(Cc2ccccc2)n1	1630775891	QOZACNMZXYMYFQ-GFCCVEGCSA-N	353.378	2.492	10	10	FECE	
CCOC(=O)Cn1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)n1	1631518264	OHAKBBOVLVVTES-UHFFFAOYSA-N	361.379	2.324	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)cc1	1566287937	WQTMMJOOEIHTGT-UHFFFAOYSA-N	358.379	2.431	10	10	FECE	
Cc1nnnn1/C(=C\c1ccccc1)C(=O)NCc1c(O)cccc1F	1635360840	SIRBDQSAIRVIDN-YBEGLDIGSA-N	353.357	2.141	10	10	FECE	
Nc1ncc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1[N+](=O)[O-]	1597089667	HCJSTIUFFUCEFX-CQSZACIVSA-N	372.381	2.099	10	10	FECE	
O=C(NN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S)c1ccncc1	1450910	FELQHSPQNOADJS-UKTHLTGXSA-N	357.416	2.333	10	10	FECE	
O=C(NCCCSc1nccs1)[C@@H]1CCCN1C1CCOCC1	155347600	QMFVFZJAXUAXLV-AWEZNQCLSA-N	355.529	2.385	10	10	FECE	
C[C@H](O)[C@H](C)OC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1	29482931	YLCYDARNSJPGCV-GQICCJFLSA-N	356.466	2.451	10	10	FECE	in-vitro
Cc1cccc(O)c1CNCC1(CCO)CN(C(=O)OC(C)(C)C)C1	1972801581	ZGPAFGAYXDEBDP-UHFFFAOYSA-N	350.459	2.410	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(CC(=O)Nc3ccc(N)cc3)C[C@H]21	2162944427	IXUVFHBPWBAWLG-KBRIMQKVSA-N	374.485	2.442	10	10	FECE	
CC(C)(C)OC(=O)N1CCCO[C@H](CNCc2ccc(O)c(O)c2)C1	389901317	NZCDWXAJTLHKSJ-CQSZACIVSA-N	352.431	2.213	10	10	FECE	
C[C@H](NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1c(O)cccc1O	397448916	YZBPIRWZXXOPGP-STQMWFEESA-N	352.431	2.384	10	10	FECE	
CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)S(=O)(=O)Cc1ccc(N)cc1	2044596935	AHEXNDBGXXDCLA-HNNXBMFYSA-N	369.487	2.040	10	10	FECE	
C[C@@H]1COC[C@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])N1C(=O)OC(C)(C)C	2060618549	AKSVWDDBPABUFE-FRRDWIJNSA-N	353.423	2.312	10	10	FECE	
CO[C@H](CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccccc1O	2072472106	VYUMGHADRXLVSL-SWLSCSKDSA-N	352.431	2.499	10	10	FECE	
C[C@H](NCCn1cc(I)cn1)c1cc(O)ccc1O	2097158714	OOPAWNMWOQKHEF-VIFPVBQESA-N	373.194	2.250	10	10	FECE	
C[C@@H]1COC[C@H](C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])N1C(=O)OC(C)(C)C	2218736887	CEPBDWTVNYCBCK-YVECIDJPSA-N	353.423	2.358	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)N1CC[C@@H](CN=[N+]=[N-])C1)[C@@H]1CCOC1	2259889040	FPGQMLUXKCVUQG-QWHCGFSZSA-N	353.423	2.171	10	10	FECE	
COc1ccc(OC)c(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c1	2297332464	KIJJPXYTKRRJDH-UHFFFAOYSA-N	366.373	2.366	10	10	FECE	
CCOc1cccc(C=C2SC(=S)N([C@H](C)C(=O)O)C2=O)c1O	2323692130	GTNSKOHWVQQAEM-MRVPVSSYSA-N	353.421	2.465	10	10	FECE	
CCS(=O)(=O)N(C)NCc1cc(Cl)cc(Br)c1O	2317490995	SGSXDALNELWIQW-UHFFFAOYSA-N	357.657	2.094	10	10	FECE	
O=S1(=O)C[C@H]2CN(Cc3cc(Cl)cc(Br)c3O)C[C@H]21	2336552349	DRJQOLRDBNFYIO-LDYMZIIASA-N	366.664	2.037	10	10	FECE	
COc1ccc(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1	56965653	BGAJODWUZOIUKK-UHFFFAOYSA-N	369.465	2.256	10	10	FECE	
O=C1CN(Cc2cc([N+](=O)[O-])ccc2O)CCN1Cc1cccc(F)c1	172897707	CHAKBAUUFLIXCO-UHFFFAOYSA-N	359.357	2.284	10	10	FECE	
CCOCCOCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	173023879	ILCFXHWFWVVNIL-CQSZACIVSA-N	372.412	2.426	10	10	FECE	
CN[C@@H](CO)c1c(O)c(OC)cc(Br)c1Br	309576006	YXQXWWALINBCJM-LURJTMIESA-N	355.026	2.179	10	10	FECE	
Cc1cc(N2CCC[C@H](NC(=O)N(C)Cc3ccccc3O)C2)n(C)n1	278370560	KMELUFCPBPHZDX-INIZCTEOSA-N	357.458	2.245	10	10	FECE	
COc1ccc(-c2nc(C)c(C(=O)OCC(=O)C(C)=O)s2)cc1OC	808492009	WEATYXSVBOXGMM-UHFFFAOYSA-N	363.391	2.451	10	10	FECE	
O=C(/C=C\[C@H]1CCCO1)NCc1cc(F)c(N2CCOCC2)c(F)c1	819565404	XULHHFWFSGILCI-VQTKUKTRSA-N	352.381	2.153	10	10	FECE	
COc1cc(Br)cc(CN2CCN(C(=O)C(C)C)CC2)c1O	728299784	PZFBOPJUPIOHQH-UHFFFAOYSA-N	371.275	2.464	10	10	FECE	
O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1c(F)ccc(O)c1O	826932951	LLKNSRJGCPSIKE-LBPRGKRZSA-N	350.390	2.148	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@H]4C[C@@H]43)cc2)CC1	832794106	JGWFNXAPLJFLFM-SXLOBPIMSA-N	355.482	2.408	10	10	FECE	
COCc1nc([C@H]2COCCN2C/C=C\c2ccc(N(C)C)cc2)no1	835043961	DQCAGJXVJQURKA-VGOKWCNXSA-N	358.442	2.369	10	10	FECE	
CC1(C)COC[C@@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	836638238	FIRHJMOSNDMNJZ-SFHVURJKSA-N	361.486	2.120	10	10	FECE	
COCC[C@H](COC)NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	840376642	HQTVXPKZVLJBBW-NVXWUHKLSA-N	351.491	2.343	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN3CCC[C@H](C)CC3)CC2)cc1	754010947	ADEOBELKCUMIRG-ICSRJNTNSA-N	361.530	2.300	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3C[C@H]4CC[C@H]3[C@@H](CO)C4)C2)cc1	852450384	LASBWJFRXALUQY-RCJHGTSTSA-N	359.470	2.076	10	10	FECE	
COC1(C)CN(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1	753253751	NSGAWSCZSAOXHH-UHFFFAOYSA-N	372.513	2.149	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN3CC[C@H](C(C)C)C3)CC2)cc1	754051420	PIYXIIQMFDHZFW-AZUAARDMSA-N	361.530	2.156	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)O1	868117029	OTWLPDHLLJXFNT-IOASZLSFSA-N	351.422	2.027	10	10	FECE	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)N1CC[C@H](O)[C@H](F)C1	931783824	PCMVZZZRVGDUAX-OCCSQVGLSA-N	355.373	2.333	10	10	FECE	
COC(=O)c1ccoc1S(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1	867124995	GKIAQXMEALPQFU-LLVKDONJSA-N	352.412	2.172	10	10	FECE	
COc1ccc(N2CCN(C[C@H](N)CN(C)Cc3ccccc3)CC2)cc1	702453174	USGSJCITGZVPNC-HXUWFJFHSA-N	368.525	2.277	10	10	FECE	
CC[C@@H](C)NC(=O)[C@@H](C)NCc1c(C(=O)OC)n(C)c2ccc(F)cc12	894387261	VQFOITPIYOUGMC-VXGBXAGGSA-N	363.433	2.497	10	10	FECE	
C[C@H](N[C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(N2CCOCC2)c(F)c1	797070802	SRRPKDXSRIMKGH-KBPBESRZSA-N	370.490	2.279	10	10	FECE	
COC(=O)c1cccc2c1CCN(C(=O)/C=C/c1ccc(O)c(O)c1)C2	1141806152	IBNFWYSLYWXHSU-SOFGYWHQSA-N	353.374	2.483	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN3CC(C)=C[C@H](C)C3)CC2)cc1	797526582	VKUUIASBTOUMML-PXNSSMCTSA-N	359.514	2.076	10	10	FECE	
CS(=O)(=O)c1ccccc1CC(=O)NCc1cccc(Cl)c1O	1159041269	GNCCAIZPVPWMLF-UHFFFAOYSA-N	353.827	2.308	10	10	FECE	
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1Cc2cccc(O)c2C1	1302788651	ZYVRSSZEPZAKDG-LJQANCHMSA-N	363.417	2.463	10	10	FECE	
CCOC(=O)CC1(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)COC1	1304531885	XVCGBIRDWNADFE-UHFFFAOYSA-N	370.449	2.475	10	10	FECE	
COC(=O)c1ncoc1COCC(=O)NCc1c(O)ccc2ccccc12	1304090298	CZQIZEVRVQVRQE-UHFFFAOYSA-N	370.361	2.153	10	10	FECE	
CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)N1Cc2cccc(O)c2C1	1175038691	SSOLIFVTBGWTRM-INIZCTEOSA-N	370.409	2.450	10	10	FECE	
CN(C)CCN(CC(=O)N1CCC[C@@H](N=[N+]=[N-])CC1)C(=O)OC(C)(C)C	2124515359	ZOQHPGPXGRWTOX-CQSZACIVSA-N	368.482	2.477	10	10	FECE	
C[C@H](NC(=O)C(=O)NCC[C@@]1(C)CC1(F)F)c1ccc(N(C)C)cc1	1330518957	CTAOCNPMDSGYSB-SJCJKPOMSA-N	353.413	2.481	10	10	FECE	
C[C@@H]1CC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)CN1C(=O)OC(C)(C)C	2132400317	LUSQDWICAQVSIC-PWSUYJOCSA-N	366.414	2.321	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@]2(C1)CC2(F)F	1349593139	WUIRDWZMYHKHKD-KRWDZBQOSA-N	352.381	2.389	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CS(=O)(=O)C[C@H]2C)cc1	1471389647	CLHPASGLNGDZCH-PBHICJAKSA-N	367.515	2.107	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)cc1	1542354917	QKKZXWILWCXXSU-ZDUSSCGKSA-N	371.372	2.062	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1cn2cc(Br)ncc2n1	1567877349	CGBOIFWHWKPPIZ-UHFFFAOYSA-N	363.171	2.084	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1CCCN1CCCO[C@H](C)C1	1742754165	HTHTZVBYDCYJBH-MRXNPFEDSA-N	373.501	2.429	10	10	FECE	
O=C(Nc1cccc(N2CCOCC2)c1)c1cccc(Nc2nn[nH]n2)c1	1597001799	FGBMDMGADOHEIX-UHFFFAOYSA-N	365.397	2.032	10	10	FECE	
O=C(NCc1nc(-c2ccncc2)n[nH]1)NCc1cccc(Cl)c1O	1673734987	ZQUZVNZXBSUIIF-UHFFFAOYSA-N	358.789	2.225	10	10	FECE	
C[C@@H](NCc1ccc(Br)cc1O)[C@@H]1CCCS(=O)(=O)C1	2146112302	LPEMQQPGEMRKLP-ZYHUDNBSSA-N	362.289	2.458	10	10	FECE	
Oc1ccc(CCN=c2ccc(I)c[nH]2)cc1O	2031085289	CBKJLOLMMKHFSM-UHFFFAOYSA-N	356.163	2.174	10	10	FECE	
C[C@H](N[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)OC(C)(C)C)c1cc(O)ccc1O	311299037	IAHURSOBSUXLDD-MUTOFJDVSA-N	364.442	2.429	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1[C@H](C(=O)NCc2ccccc2O)C1(F)F	2060062923	IDZFGVZEVKXXKF-WCQYABFASA-N	356.369	2.414	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060636669	ALQKFMMRGRTBHY-XQQFMLRXSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@]1(CCF)C(=O)C(=O)C[C@H]1C[C@H](N)C1	2082237020	JCRKUUDPZWMKRD-LXIYXOSZSA-N	356.438	2.381	10	10	FECE	
CN1CCc2cc([C@H](N)[C@@](C)(O)[C@@H]3CCN3C(=O)OC(C)(C)C)ccc21	2107325153	RXYQLSLGHCTTPE-ZWOKBUDYSA-N	361.486	2.439	10	10	FECE	
CCOc1cccc(CN[C@@H]2COC[C@@H]2CNC(=O)OC(C)(C)C)c1O	2097862469	XCUPYCHIVRKDGB-LSDHHAIUSA-N	366.458	2.420	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@@]12CCCO[C@H]1CN(C(=O)OC(C)(C)C)C2	2221344018	YOKQXLDIBYYTRJ-BLLLJJGKSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N1CCOCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2257620462	HKRKJYWFPGNKAB-FRRDWIJNSA-N	353.423	2.360	10	10	FECE	
CN(C)c1ccc(N/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1	103760062	MQGVQWCZEWNZNN-SFQUDFHCSA-N	364.405	2.327	10	10	FECE	
CO[C@](C)([C@H](C)N)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	1952551502	WKQVAEIGVVKCSW-BKGUAONASA-N	354.447	2.286	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@H]2[C@H](C1)C2(F)F	1328759555	AVZUGHPSJXJJPE-KBPBESRZSA-N	352.381	2.244	10	10	FECE	
CCOc1ccc(O)c(CNCc2ccc(C(=O)NCCN(C)C)cc2)c1	123846646	DQRORAMIMQJSHM-UHFFFAOYSA-N	371.481	2.372	10	10	FECE	
COc1cc(Br)cc(CN2CC[C@H](N3CCOCC3)C2)c1O	120970941	OENIIUHUGZYMMQ-AWEZNQCLSA-N	371.275	2.070	10	10	FECE	
Nc1ccc(NC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1	217313683	LYOSWOGABORGAF-UHFFFAOYSA-N	354.410	2.347	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N(CC(=O)Nc1ccc(N)cc1)C2	2131198010	MSKHRRJSFXLDKP-BBRMVZONSA-N	360.458	2.149	10	10	FECE	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)c1	818360387	MGIJWZULRFXUNA-CZPYZCIJSA-N	362.426	2.449	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3nn4c(c3C)OCCC4)C2)cc1	819591216	QHRAJYKBIOJARM-OAHLLOKOSA-N	370.453	2.239	10	10	FECE	
COC[C@](C)(CCO)NC(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2	651672546	DFEPRLSGIPUODY-NRFANRHFSA-N	374.481	2.432	10	10	FECE	
COc1ccc(N2CCN(CCCN[C@@H]3CO[C@H](C4CC4)C3)CC2)cc1	825063441	DZESKPPZEXISKB-RXVVDRJESA-N	359.514	2.364	10	10	FECE	
CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2c(F)ccc(O)c2O)CC1	825665595	UPZHYDMGNZRERC-LLVKDONJSA-N	352.406	2.250	10	10	FECE	
COc1ccnc(N2CCN(C/C=C\c3ccc(N(C)C)cc3)CC2)n1	835026117	QAJJZRPMFYZLFV-PLNGDYQASA-N	353.470	2.387	10	10	FECE	
C[C@H]1CCNC[C@H]1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	842266723	LUDPBZKNMCKGRD-MAUKXSAKSA-N	373.497	2.168	10	10	FECE	
O=C1N[C@@]2(C(=O)NCc3ccc(N4CCCCC4)cc3)C[C@H]3C[C@H]1[C@H]2C3	845312059	LTBUGHJJZBTKDQ-JWVYWZTKSA-N	353.466	2.208	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CNC[C@@H]3CCC[C@H]4C[C@@H]43)CC2)cc1	849330231	MDHFUEOGLJXEKC-RUOSDFBUSA-N	373.541	2.204	10	10	FECE	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@H]2CSC(=O)N2)cc1	912107963	YXBRQYDVVXQBOV-GFCCVEGCSA-N	361.389	2.469	10	10	FECE	
Cc1cc(C(=O)N2C[C@H](C)N(CCO)C[C@H]2C)c(C)n1-c1ccccn1	841455307	SFYRUQAXIJGOPS-JKSUJKDBSA-N	356.470	2.016	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)NC[C@@]34CCC[C@@H]3C4)cc2)CC1	924053864	SOCZFGONSBPZJS-UTKZUKDTSA-N	370.497	2.378	10	10	FECE	
Cc1cc(CCNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)nn1C	926364170	COLQDGWFAPELOX-GOSISDBHSA-N	372.469	2.367	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1(CF)CCOCC1	857457019	HRBUCOZJILIUDQ-UHFFFAOYSA-N	368.424	2.169	10	10	FECE	
CCc1onc(C)c1CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1	924008577	UDDQVJNWCUSPTR-UHFFFAOYSA-N	371.485	2.297	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCCCN3CCCCC3)C2)cc1	853247470	QLTXZANBZODHBS-KRWDZBQOSA-N	360.502	2.449	10	10	FECE	
Cc1cncc(CCNC(=O)NCc2cc(Br)ccc2O)n1	852607166	ZAFFSKZQMBYYEL-UHFFFAOYSA-N	365.231	2.295	10	10	FECE	
CNS(=O)(=O)C[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1	862551011	JEUQDXZSFKWWPG-JTQLQIEISA-N	367.298	2.460	10	10	FECE	
O=C1NC[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)c2ccccc21	860243370	LJYCCRCHWZGUPI-GOSISDBHSA-N	350.418	2.414	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)cc1	862135023	UAPFPFIUUGMTPF-DGUDUIIESA-N	370.474	2.181	10	10	FECE	
CC(C)(CNC(=O)NCc1ccc(N2CC=CC2)cc1)[C@@]1(O)CCOC1	1118126177	IEBUKCAIQAVAID-HXUWFJFHSA-N	359.470	2.040	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1F	1117164020	FIWCTXXJAJFYOD-DOTOQJQBSA-N	355.413	2.180	10	10	FECE	
C[C@H](NC[C@]1(NC(=O)OC(C)(C)C)CCOC1)c1cc(O)ccc1O	688534804	FPEYTHVPDQYVSW-KPZWWZAWSA-N	352.431	2.432	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H](C(=O)O)N1Cc1ccccc1	688911127	JIXSWVYGYKFCIT-ZWKOTPCHSA-N	368.433	2.468	10	10	FECE	
CCOCCN(Cc1ccc(C(=O)OC)o1)C(=O)c1cccc(O)c1O	790630257	OJKBSOQHNZRTDY-UHFFFAOYSA-N	363.366	2.156	10	10	FECE	
CN(C[C@H]1CCCS1(=O)=O)c1cc(Br)c(CN)cc1F	694092955	BCEKWQZISMNJFP-SNVBAGLBSA-N	365.268	2.060	10	10	FECE	
C[C@@H](N[C@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1O	1918670919	MYNLMXBSMGNADC-VXGBXAGGSA-N	352.431	2.119	10	10	FECE	
CCOCCn1c(C)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1	1314480806	YMSFNDARCUNDPN-UHFFFAOYSA-N	363.437	2.097	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2124538417	JLHPEGLMBHTUOV-KGLIPLIRSA-N	367.450	2.296	10	10	FECE	
O=C(NC1[C@H]2C[C@H]1CN(Cc1ccccc1)C2)c1cc(O)c(O)c(O)c1	2132349846	HVADKNFZYCWYOW-GJZGRUSLSA-N	354.406	2.054	10	10	FECE	
CCON(CC)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136262098	QUGAMASPOQOPRP-ZDUSSCGKSA-N	368.430	2.334	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N[C@@H](Cn1ccccc1=O)c1ccccc1	1296961903	KRIAWNIKBLVIQQ-KRWDZBQOSA-N	364.401	2.360	10	10	FECE	
COc1ccc(-c2noc(CCC(=O)NCc3ccc(O)cc3O)n2)cc1	1469158628	FITRUDCDHJQKFN-UHFFFAOYSA-N	369.377	2.405	10	10	FECE	
O=C(CCNC(=O)c1cc2ccccc2[nH]1)NCc1cccc(O)c1O	1471641958	CXXCAQYZIOURPM-UHFFFAOYSA-N	353.378	2.015	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CC3(O)CCCCC3)CC2)cc1F	1473270198	PUNBRAXWXKQKIV-QGZVFWFLSA-N	366.477	2.403	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H]2C[C@@H](C)CN2C1	1627013642	ICFMXGSYWRRCMC-NXHRZFHOSA-N	374.481	2.404	10	10	FECE	
C[C@H](NC(=O)c1cn(C)nc1I)c1ccccc1O	1648894038	GSXBWYNAQCUUCO-QMMMGPOBSA-N	371.178	2.221	10	10	FECE	
Cc1ccc(C(=O)Nc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)c(O)c1O	1570811202	IDMHFOWKWKFSMR-LJQANCHMSA-N	369.377	2.055	10	10	FECE	
COC(=O)c1sc(NC(=O)/C(=C/C2=S=CC=C2)NC(C)=O)cc1C	1642546890	NQBFPGQVXPLGPQ-WQLSENKSSA-N	364.448	2.079	10	10	FECE	
O=C(NCc1nc(-c2ccncc2)n[nH]1)NCc1cc(Cl)ccc1O	1686823340	HPQYJMQCVHHFBC-UHFFFAOYSA-N	358.789	2.225	10	10	FECE	
Cc1noc([C@@H]2OCC[C@@H]2NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1	1680280990	SSMAANTZYRZMDN-XFBWCDHKSA-N	359.430	2.334	10	10	FECE	
CN(C)CCn1cc(NC(=O)NCCCSc2nccs2)cn1	154957707	GSBVIZLHEVNPKF-UHFFFAOYSA-N	354.505	2.205	10	10	FECE	
CC(C)OC(=O)c1cccc(NC(=O)CCN2C(=O)CSC2=S)c1	1865768045	HRFFDWYWPCYNCB-UHFFFAOYSA-N	366.464	2.441	10	10	FECE	
CCOC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1O	1963695030	OPURLSOMGGOXIZ-AWEZNQCLSA-N	352.431	2.280	10	10	FECE	
O=C(OCc1ccccc1)N1CC[C@](C(=O)O)(c2ccc(O)c(O)c2)C1	1951733848	LGFVLTBYTZDNII-LJQANCHMSA-N	357.362	2.463	10	10	FECE	
N[C@@H]1C(=O)Nc2cc(N3CCS[C@@H]4CC[C@H]43)c(Br)cc21	2152204691	CZZSGFWEKSEYFP-RTXFEEFZSA-N	354.273	2.485	10	10	FECE	
CO[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NCc2ccccc2O)C1	1187405937	OFTNEENPYMWKGF-CABCVRRESA-N	364.442	2.423	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](NC(=O)Cc2ccc(N)cc2)C1	2044235351	ONIXXBMCUOIIGB-UJKQEGAGSA-N	351.422	2.323	10	10	FECE	
CC(C)(C)OC(=O)N[C@](C)(C(=O)NCc1ccccc1O)C(C)(C)O	2060492232	CESJLJUMIVLPAX-GOSISDBHSA-N	352.431	2.063	10	10	FECE	
COCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1O	2060480031	UFQAELISFVLUER-CQSZACIVSA-N	352.431	2.328	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](CC(=O)N2CC[C@@H](N=[N+]=[N-])C2)O1	2060638911	CFXKULSLLKSFQA-UPJWGTAASA-N	353.423	2.312	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CCC(N=[N+]=[N-])CC2)CO1	2060609248	SXFPRRHEEMXXQL-AAEUAGOBSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)NCCCCN=[N+]=[N-])CO[C@H]2C1	2060634600	BSKYRPKSEJQAEA-UPJWGTAASA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)NCC1(NC(=O)Cc2ccc(N)cc2)CCOCC1	2106236956	IOPSFWHPKDCSCJ-UHFFFAOYSA-N	363.458	2.001	10	10	FECE	
CN(C(=O)Nc1ccc(N)cc1)[C@@]1(CNC(=O)OC(C)(C)C)CCOC1	2106699758	PXUKVCZPUJOESX-GOSISDBHSA-N	364.446	2.416	10	10	FECE	
CN1CCc2cc([C@H](O)C3(C(=O)O)CN(C(=O)OC(C)(C)C)C3)ccc21	2108538649	OSIICVDWHKETDR-HNNXBMFYSA-N	362.426	2.034	10	10	FECE	
CN1CCCc2cc([C@H](O)CN3CC(NC(=O)OC(C)(C)C)C3)ccc21	2112983069	GPESVSAWUIBCLR-GOSISDBHSA-N	361.486	2.311	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])C1	2218742506	DAQMKMWLONGCNY-OZVIIMIRSA-N	353.423	2.360	10	10	FECE	
Cn1cc(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])nc1CNC(=O)OC(C)(C)C	2225793516	XRKFKIMCEPWKKM-QWRGUYRKSA-N	363.422	2.406	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(C(=O)COc1ccc(N)cc1)C2	2272653128	KYXRBPGAMNPWFW-DJJJIMSYSA-N	361.442	2.021	10	10	FECE	
CC(C)(C)OC(=O)NC1CC(C(=O)N2CCc3cc(O)c(O)cc3C2)C1	2341194742	XWIIFGONFDPZTB-UHFFFAOYSA-N	362.426	2.286	10	10	FECE	
Cc1cccc(N2C(=O)NC(=O)/C(=C\Nc3ccc4c(c3)OCO4)C2=O)c1	100144960	UEUYSDXOODRJPZ-NTEUORMPSA-N	365.345	2.303	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(F)c3C)CC2)cc1	72616371	MRPNPZSYFGWREG-UHFFFAOYSA-N	371.412	2.430	10	10	FECE	
CN[C@H](C)c1ccc(N2C[C@@H](O)C[C@@H]2CN(C)C)c(Br)c1	227973937	YVBHDMYFPQZREK-BNOWGMLFSA-N	356.308	2.231	10	10	FECE	
COc1ccccc1[C@H](O)CNC(=O)NCc1ccc(N(C)C)c(F)c1	195201124	GLWKWKXLYNKZEX-QGZVFWFLSA-N	361.417	2.433	10	10	FECE	
COC(=O)C[C@H](N)c1c(Br)ccc(Br)c1O	95706580	BVHLAYJRSIRWQA-ZETCQYMHSA-N	353.010	2.480	10	10	FECE	
COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	246984517	RPIJDQXDUWSZHE-TUKIKUTGSA-N	368.380	2.182	10	10	FECE	
C[C@H]1CN(c2ccc(CNS(=O)(=O)CC3CC3)cc2F)C[C@H](C)O1	267168351	IASBMSUMWFIITL-STQMWFEESA-N	356.463	2.269	10	10	FECE	
COc1ccc(CNC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c(O)c1	369073861	DTXYXZZRSNGCFZ-MRXNPFEDSA-N	355.394	2.006	10	10	FECE	
Cc1ccc(CNS(=O)(=O)c2ccn(C)c2)c(O)c1Br	2380760358	WYAYMJZNKURPSX-UHFFFAOYSA-N	359.245	2.280	10	10	FECE	
Cc1cc(CNC(=O)NCc2cc(Br)ccc2O)n(C)n1	805470628	RXHOINFGKIKOGT-UHFFFAOYSA-N	353.220	2.196	10	10	FECE	
C[C@H](NC(=O)c1ccc(CN2CCOCC2)cn1)c1ccc(N(C)C)cc1	811186649	SPAPXMANBDGPIQ-INIZCTEOSA-N	368.481	2.471	10	10	FECE	
COc1ccc(N2CCN(C(=O)COC(=O)C3(C)C[C@@H]4C[C@H]4C3)CC2)cc1	815361981	XQOUFHMNIPSTEF-HOTGVXAUSA-N	372.465	2.323	10	10	FECE	
COc1ccc(N2CCN(C(=O)C3(CF)CCOCC3)CC2)cc1F	826778831	ZSEVPIIVRSKHRB-UHFFFAOYSA-N	354.397	2.249	10	10	FECE	
C[C@]12CCC(=O)N1[C@H](C(=O)NCCCSc1nccs1)CS2	733878778	HIGFGCZVJQDGPA-HZMBPMFUSA-N	357.526	2.196	10	10	FECE	
O=C(c1ccccc1)c1ccc(O)c(CN2C[C@@H]3C[C@H]2C[S@]3=O)c1O	844743878	FBKWVIWNTJHQIJ-KXTXEXGHSA-N	357.431	2.034	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H](O)[C@H](C4CCCC4)C3)cc2N1	840347734	GBALUXDNXOWWIX-BLLLJJGKSA-N	361.398	2.303	10	10	FECE	
Cc1cc(O)c(CN2CCC(N3CCCS3(=O)=O)CC2)c(Cl)c1	840953986	FFRVOPYEXLVFQJ-UHFFFAOYSA-N	358.891	2.354	10	10	FECE	
C[C@H]1CN([C@@H](C)CNCc2ccc(N3CCN(C)CC3)cc2)C[C@@H](C)O1	848563781	XMWQRWKBQCUFLW-GBESFXJTSA-N	360.546	2.026	10	10	FECE	
C[C@H](N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1cc(Cl)ccc1O	858488960	OTYBOTBVWQEAAS-WCQYABFASA-N	358.833	2.413	10	10	FECE	
C[C@H]1CCc2nc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)cn2C1	857917876	LHAAETWQMMNCJP-AWEZNQCLSA-N	372.444	2.371	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN4CCC[C@@H]4C3)C2)cc1	852451714	BEBZFIIQSQDEJI-SOLBZPMBSA-N	358.486	2.200	10	10	FECE	
CN1C2(CCC2)COC[C@@]1(CO)CNCc1ccc2ccccc2c1O	862463882	OBXNIWPOPCHPFW-NRFANRHFSA-N	356.466	2.251	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)c3cnc(O)n(C)c3=O)c2C)c1	863162005	PBJGLDYFDDXJLE-UHFFFAOYSA-N	366.421	2.132	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCOCCCN	861692337	BPNGEGTVBNVZIJ-UHFFFAOYSA-N	374.279	2.052	10	10	FECE	
COC(=O)/C(=C\c1cc(F)c(N(C)C)cc1F)CN1CCC(=O)CC1	863188822	OQXWXJZCCCSGKC-JYRVWZFOSA-N	352.381	2.252	10	10	FECE	
CC[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1CCCOC1	897808060	ITJQPGMHVYXIMF-HKUYNNGSSA-N	371.481	2.000	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1	1137520360	DCJPHMVZJOQSNA-IRXDYDNUSA-N	373.457	2.347	10	10	FECE	
COc1cccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c1O	2116273346	IPLVHSAGZFYMJZ-CABCVRRESA-N	366.458	2.108	10	10	FECE	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@@H](C)S(N)(=O)=O)c1	1319696122	ZAUXQXAKDCPLRR-GFCCVEGCSA-N	369.874	2.154	10	10	FECE	
CO[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1	1326499417	RAHGMMCQCQTPOB-PKOBYXMFSA-N	373.497	2.223	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@]1(CO)CCCN1C(=O)OC(C)(C)C	2124176987	NOJDHHUHZPAZGB-LJQANCHMSA-N	364.442	2.113	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@H]2CN1CC(=O)Nc1ccc(N)cc1	1905377656	NZOYRKHOCHBIDA-APHBMKBZSA-N	360.458	2.052	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1	2132416937	AVQJKPGGBIQXGY-CMPLNLGQSA-N	366.414	2.227	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H](CC(=O)NCc2ccccc2O)C1	2135877474	JJULYWUOZBQPKY-CQSZACIVSA-N	364.442	2.282	10	10	FECE	
CCN(CC)c1ccc(Cn2c(C)nnc2N(C)[C@H](C)CC(N)=O)cc1	1515529243	SIPVYHUXAZDUCR-CQSZACIVSA-N	358.490	2.181	10	10	FECE	
CN(C(=O)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N)cc1	2136199572	XVAQNFXBTATNCQ-IBGZPJMESA-N	363.458	2.384	10	10	FECE	
Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NCc1c(O)cccc1F	1456093893	PAHVSMRCWUJYHM-MRXNPFEDSA-N	373.363	2.066	10	10	FECE	
CCc1ccc2c(c1)[C@H](CCNC(=O)Cc1ccc(O)c(O)c1)C(=O)N2	1629323191	QDXKONSPXHWRBV-AWEZNQCLSA-N	354.406	2.445	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1ncccc1I	2137734520	ABOMTUBXQZKEIG-UHFFFAOYSA-N	370.146	2.279	10	10	FECE	
COC(=O)[C@H]1C[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)C1	1631611492	AVSQQWZXMOOSAD-ZIFCJYIRSA-N	374.481	2.459	10	10	FECE	
Cc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)c(N2CCOCC2)c1	1588285730	XVXSFEQHWANUMT-UHFFFAOYSA-N	356.422	2.102	10	10	FECE	
CCc1ccccc1N1C[C@H](C(=O)NCc2c(O)cccc2O)CC1=O	1597569876	VOFOUAWYSBVJDT-CQSZACIVSA-N	354.406	2.330	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2nc(C(F)(F)F)no2)c1	1685041740	DUZFVBSTEGLAHV-SSDOTTSWSA-N	360.292	2.363	10	10	FECE	
COc1cc(O)c(CN2CCN(C[C@@H](O)c3ccccc3)CC2)cc1OC	160256798	GCQPVCJPRNEPOW-LJQANCHMSA-N	372.465	2.261	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC(Cn3ccnn3)CC2)c([N+](=O)[O-])c1	157738456	CCVCIDWZBFVBBH-HWKANZROSA-N	371.397	2.289	10	10	FECE	
CCOc1cccc(CNCC(=O)N2CCN(c3ccccc3)CC2)c1O	236893372	YHYOFMVTDRCIHA-UHFFFAOYSA-N	369.465	2.229	10	10	FECE	
CN1CCc2cc([C@@H](CN)N3CC[C@@H]3CNC(=O)OC(C)(C)C)ccc21	1881000762	CWJVIXQJTXQIEK-SJLPKXTDSA-N	360.502	2.278	10	10	FECE	
COc1ccc(N2CCO[C@@]3(CCCN(C(=O)C(F)(F)F)C3)C2)c(N)c1	2163079204	NGOTWGYOKXKBHB-INIZCTEOSA-N	373.375	2.038	10	10	FECE	
O=C(N1CCC(CNCc2cc3c(cc2O)OCO3)CC1)C(F)(F)F	397745097	YIACECDXBLHLSP-UHFFFAOYSA-N	360.332	2.011	10	10	FECE	
CNC(=O)c1nn(Cc2cccc(F)c2O)c(C(F)(F)F)c1[N+](=O)[O-]	2079173141	KXKXBZRNLJGRDE-UHFFFAOYSA-N	362.239	2.063	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2C[C@@H]2[C@H]1CNC(=O)OC(C)(C)C	2198973574	AINDTOTUNWFOCW-OSRSDYAFSA-N	374.485	2.441	10	10	FECE	
CCN(CCCNC(=O)c1cc(O)c(O)c(O)c1)C(=O)OC(C)(C)C	2068616408	AFXSGTMDRSYTAU-UHFFFAOYSA-N	354.403	2.180	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)COc2ccc(N)cc2)C1	2106779694	QNUZPLLSJCCNEO-UONOGXRCSA-N	363.458	2.409	10	10	FECE	
CN(C)c1ccc([C@H](N)Cn2cc(CNC(=O)OC(C)(C)C)nn2)cc1	2106849009	PRBZRHMXJKCJJI-MRXNPFEDSA-N	360.462	2.069	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Nc1c(N)cccc1C(N)=O	2108835854	YJBFBSQFXHGMQH-BAESOJJISA-N	360.458	2.471	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2218741740	BGTKFRMIPRVGOW-QNWHQSFQSA-N	353.423	2.094	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@@]12CCCO[C@@H]1CN(C(=O)OC(C)(C)C)C2	2221344025	YOKQXLDIBYYTRJ-MLGOLLRUSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)NCCCCN=[N+]=[N-])[C@H](O)C(F)(F)F	2254150381	KTJAAMVQWWIFRC-IUCAKERBSA-N	369.344	2.010	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O1	2260803718	MGWJBRLVAJWRBS-RWMBFGLXSA-N	353.423	2.170	10	10	FECE	
Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccccc3C(=O)O)C2=O)cc1	2297456484	BGURZFCNUXRMND-UHFFFAOYSA-N	365.345	2.272	10	10	FECE	
COC(=O)c1ccc(/C=C2/SC(=S)N([C@H](C)C(=O)O)C2=O)cc1	33373184	RLCRWICJGCGKTD-XAPLUZPNSA-N	351.405	2.148	10	10	FECE	
O=[N+]([O-])c1cc(Cl)cc(CN2CCO[C@H](Cn3cccn3)C2)c1O	122201411	ZOBLCHNKEMIJCL-ZDUSSCGKSA-N	352.778	2.051	10	10	FECE	
Cc1ccc(NC[C@H](O)[C@@H](O)[C@H](O)CO)c(N=Nc2ccccc2)c1C	253960913	BVMBLTCSAVCYFW-YQVWRLOYSA-N	359.426	2.206	10	10	FECE	
CCn1ncc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1	815835070	JIWBNEZMJCKRGA-AWEZNQCLSA-N	363.849	2.051	10	10	FECE	
Cc1cc(C(=O)CN2CCO[C@H]([C@H](C)O)C2)c(C)n1-c1ccc(F)cc1	839669860	BYLGNADJSHWQKF-YWZLYKJASA-N	360.429	2.498	10	10	FECE	
CCCN1C[C@H](C(=O)NCc2cc(Br)ccc2O)CC1=O	839761724	KGDNBHMUZYTFHC-LLVKDONJSA-N	355.232	2.029	10	10	FECE	
CCN(C(=O)/C=C/c1cc2cnn(C(C)C)c2[nH]c1=O)c1cnn(C)c1	848341972	CIXCXDUOGDCZIW-VOTSOKGWSA-N	354.414	2.105	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CC[C@H](C(=O)N(C)C)C2)c1O	840179833	UYOJMZAQXQBCEC-AWEZNQCLSA-N	356.422	2.242	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CCc3nc[nH]c3C2)cc1	845204327	CLBNGUFJTGRIAT-CQSZACIVSA-N	357.458	2.053	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC2C[C@@H]3[C@@H](C2)C3(F)F)c1	922377625	DMBVGTBFUXNVLS-VXGBXAGGSA-N	361.366	2.212	10	10	FECE	
CCOC(=O)c1cn(C)nc1NC(=O)N[C@H](C)c1cc(OC)ccc1O	752804226	MCXULDSNHUVLEK-SNVBAGLBSA-N	362.386	2.194	10	10	FECE	
C[C@@H](NC1CCN(CCC(=O)N(C)C)CC1)c1cc(F)cc(F)c1O	756561617	FYNYSHZUUBWBHV-GFCCVEGCSA-N	355.429	2.264	10	10	FECE	
CNC(=O)NC(=O)[C@H](C)OC(=O)Cc1cc(C)n(-c2ccccc2)c1C	853935292	YEJHPKCXWZNYFY-AWEZNQCLSA-N	357.410	2.024	10	10	FECE	
C[C@H]1NC(=O)CC[C@@H]1c1nnc(N(C)Cc2ccccc2O)n1CC1CC1	1123410266	RIEDQJMJIVXROY-CJNGLKHVSA-N	369.469	2.412	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3C[C@H](O)CC(F)(F)C3)CC2)cc1	786743604	IXWSGDLMUGFMTR-OAHLLOKOSA-N	369.412	2.076	10	10	FECE	
COCCN(CCOC)C1CCN(Cc2cc3c(cc2O)CCC3)CC1	795717998	RHQPKNABVBJGQH-UHFFFAOYSA-N	362.514	2.440	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1[C@H]2COC[C@H]21	793449272	YQSNNMGOKKINIL-IMRBUKKESA-N	355.232	2.331	10	10	FECE	
O=C1/C(=C/C=C/c2ccco2)SC(=S)N1[C@H]1CCS(=O)(=O)C1	1088740820	VCWCOOAAYGLONC-RYZCRBQOSA-N	355.462	2.224	10	10	FECE	
CN(C)CCOc1ccc(/C=C\C(=O)NCc2c(O)cccc2O)cc1	1304054026	AMWJAGRGVRWNJH-FLIBITNWSA-N	356.422	2.368	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NCc2cc(F)cc(F)c2O)C1	2116265939	AOTJSDIEHHRENR-XHDPSFHLSA-N	372.412	2.378	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(F)c(F)c2O)[C@H](CO)C1	2116275304	USROROCQVVSWQK-GXTWGEPZSA-N	372.412	2.378	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](O)c1cc(F)c(F)c(F)c1	1167902654	BCOUNSDGKFRBFT-TXTHVTMNSA-N	353.296	2.378	10	10	FECE	
CCOCc1nnc(N(C)Cc2ccccc2O)n1CCN1CCCC1	1314306484	GQBMOJNHYSHZRM-UHFFFAOYSA-N	359.474	2.252	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2124516374	FASXTAZSYKAVHR-KBPBESRZSA-N	367.450	2.417	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)cc2)CC1	1332004827	OXTPCHOGVCHJMD-QRQLOZEOSA-N	355.482	2.441	10	10	FECE	
CCN(C)c1ccc(CN2CCN(c3nc(N)nc(C4CC4)n3)CC2)cc1	1198202614	PEEVLZIFYXUOAU-UHFFFAOYSA-N	367.501	2.110	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3n[nH]cc3Br)C2)cc1	1348802910	APGLKMYNVUMGQI-JTQLQIEISA-N	365.231	2.190	10	10	FECE	
C[C@@H](NCc1c(I)cnn1C)c1c(O)cccc1O	2133346291	FHFFBSNYVFGSOP-MRVPVSSYSA-N	373.194	2.287	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@@H]2CCOC2)n1CC1(O)CCCC1	1503488819	WTZUQLVYNCKHHF-MRXNPFEDSA-N	372.469	2.429	10	10	FECE	
COC(=O)[C@@H]1CC[C@H](NC(=O)N(C)CCN(C)c2ccc(OC)cc2)C1	1479285726	ZOUKIJRHDXUENZ-CABCVRRESA-N	363.458	2.115	10	10	FECE	
C[C@@H]1C[C@@H]1n1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1O	1543748537	JDWXJGDSZSIYCC-HIFRSBDPSA-N	355.442	2.323	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2Cc3ccccc3O2)N(C)C)cc1	1627464823	RZENVZUVPAFNCQ-QUCCMNQESA-N	353.466	2.475	10	10	FECE	
CCNc1cccnc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1	1636779304	CPTGVCLTIJOVPD-UHFFFAOYSA-N	353.470	2.195	10	10	FECE	
COc1ccc(N2CCN(C(=O)NC[C@@H]3CC[C@H](C)O3)CC2)c(OC)c1	1673442112	FLRDMGJJMUGTSL-HOCLYGCPSA-N	363.458	2.103	10	10	FECE	
COc1cccc(/C=C2/SC(=S)N(CCCNC(C)=O)C2=O)c1	1858593862	AVINSPGJXVJXBI-GXDHUFHOSA-N	350.465	2.423	10	10	FECE	
Nc1ccc(-n2nnc(C(=O)Nc3cccc(OC(F)(F)F)c3)n2)cc1	1857878566	HJVXGMFACKXUCI-UHFFFAOYSA-N	364.287	2.395	10	10	FECE	
CO[C@@H](C(=O)N(C)Cc1ccccc1O)C1CN(C(=O)OC(C)(C)C)C1	1968865159	IUOJZWJDSKKFIA-MRXNPFEDSA-N	364.442	2.233	10	10	FECE	
O=S1(=O)CCC[C@H]2CN(Cc3c(O)cccc3Br)C[C@@H]21	2145074649	WCLONHVFXMWMQN-HZMBPMFUSA-N	360.273	2.164	10	10	FECE	
CNCc1ccc(N2CCC[C@H]2CS(C)(=O)=O)c(Br)c1	2151276023	RCGRJNJQEGOQHJ-LBPRGKRZSA-N	361.305	2.182	10	10	FECE	
CS(=O)(=O)C[C@H]1CCCN(c2ccc(CN)c(Br)c2)C1	312852702	QPBWOPOIBLZUQL-NSHDSACASA-N	361.305	2.169	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NCc2cccc(F)c2O)[C@@H](CO)C1	2052711402	IZOWEQHTIYIPNV-UKRRQHHQSA-N	354.422	2.239	10	10	FECE	
COCC1(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])CN(C(=O)OC(C)(C)C)C1	2060619016	HHMWZLGLTSSTMD-GFCCVEGCSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C1	2063392429	YBQRZBOAGSBYLM-MLGOLLRUSA-N	353.423	2.050	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N2CC(N=[N+]=[N-])C2)OC(C)(C)C1	2073952158	ZLBWRVSOGRUYTD-ZYHUDNBSSA-N	353.423	2.358	10	10	FECE	
Nc1ccc(OCCCN2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1	2106674728	MUGORVGVJQMPBX-CYBMUJFWSA-N	359.392	2.428	10	10	FECE	
CN1CCCc2cc([C@H](N)[C@H](O)C3(NC(=O)OC(C)(C)C)CC3)ccc21	2106939513	BZQDRSXKTLKUKF-IRXDYDNUSA-N	361.486	2.487	10	10	FECE	
[N-]=[N+]=NCCN[C@]1(C(=O)O)CN(Cc2ccccc2)[C@@]2(CCCOC2)C1	2100063299	LRHQJBBRQFDZFX-ROUUACIJSA-N	359.430	2.165	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2218746223	PQYZCAAHIOQGKY-MROQNXINSA-N	353.423	2.358	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2253544604	KPQFWUBZUVJSJX-CHWSQXEVSA-N	353.423	2.048	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N[C@@H]1CCCN(Cc2ccccc2)C1=O	2307987452	FQSDUINYXDNLED-QGZVFWFLSA-N	366.417	2.418	10	10	FECE	
CN(Cc1ccc(N)cc1)Cc1cc(I)nn1C	2314201063	YDAWCWPIMVHODU-UHFFFAOYSA-N	356.211	2.239	10	10	FECE	
COC(=O)CCCN1C(=O)C(=C2C(=O)Nc3ccccc32)SC1=S	2314759936	HJVYARQIUWHKBL-UHFFFAOYSA-N	362.432	2.163	10	10	FECE	
CCc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(N3CCC(O)CC3)cc1)CC2	180610034	FNWBWJISKOLXRK-DOTOQJQBSA-N	369.513	2.467	10	10	FECE	
C[C@H](CN[C@H](C)c1ccc(N2CCOCC2)cc1)CN1CCN(C)CC1	120780914	QZWJOGSIAOJWLR-RTBURBONSA-N	360.546	2.057	10	10	FECE	
O=C(N[C@]1(c2ccc(O)c(O)c2O)C[C@H]1C(=O)O)OCc1ccccc1	1952828755	DSNBKTAYBWNKMM-SGTLLEGYSA-N	359.334	2.030	10	10	FECE	
C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCO1	80010740	OXTJWULPCOPXNP-CXAGYDPISA-N	351.422	2.029	10	10	FECE	
Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(C)c3C)C2=O)cc1	96838614	JVSZDKSXTNPEED-YVLHZVERSA-N	366.421	2.482	10	10	FECE	
CN1[C@H]2CC[C@H]1CN(C(=O)/C=C/c1ccc(N3CCOCC3)cc1)CC2	245455382	SOENWGLHLCPQPT-PSTLYPAQSA-N	355.482	2.232	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)Cn3cncn3)ccc21	264119077	JRSDJWBIEHJABH-CYBMUJFWSA-N	355.442	2.315	10	10	FECE	
COCCN(C(=O)OC(C)(C)C)[C@H](C(N)=O)c1ccc(N(C)C)cc1	700606452	VEZBTKAXCIDSSB-HNNXBMFYSA-N	351.447	2.163	10	10	FECE	
O=S(=O)(NC[C@H]1CCCN(Cc2cc3c(cc2O)CCC3)C1)C1CC1	808227173	UZNGEETZUXBLNE-CQSZACIVSA-N	364.511	2.175	10	10	FECE	
COc1cc(Br)cc(CNC[C@H]2CNCCC2(F)F)c1O	903955070	KABAPIMQUUVALH-SNVBAGLBSA-N	365.218	2.498	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@](O)(CO)C3)c2C)cc1	837782927	PGBXEAXIFHPESJ-HXUWFJFHSA-N	358.438	2.062	10	10	FECE	
Cc1cc(C(=O)CN2CC[C@H](O)[C@H](CO)C2)c(C)n1-c1ccc(F)cc1	839665912	IYGLHHIVUKXVBD-KXBFYZLASA-N	360.429	2.091	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N[C@@H](CO)c3ccnn3C)cc2)CC1	838377299	TUBPVFWZMZCIRU-SFHVURJKSA-N	371.485	2.189	10	10	FECE	
Cc1cc(C(=O)N2CCN(CCCCCO)CC2)c(C)n1-c1ccccn1	913689889	JFFWENWDJGGRPZ-UHFFFAOYSA-N	370.497	2.410	10	10	FECE	
COC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1	747237162	WTPSBRDFHDPOJM-MDWZMJQESA-N	374.462	2.417	10	10	FECE	
CCN(CC)c1ccc(CN2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1F	843425534	BPWJKUYVYZGXIP-GOSISDBHSA-N	370.490	2.061	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1	840318416	IPECNONNVQSDMA-MFWIUYSUSA-N	372.513	2.301	10	10	FECE	
Cc1cc(CCNC(=O)c2ccc(=O)n(C)n2)c(C)n1-c1ccccc1	746425109	GKVBEGGHQOHYPX-UHFFFAOYSA-N	350.422	2.160	10	10	FECE	
COC(=O)c1ccc(NCc2ccc(N3CCC(O)CC3)cc2)nc1OC	853955089	DBTSYMVYMKNQBP-UHFFFAOYSA-N	371.437	2.450	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)COc3ccccc3C=O)C2)cc1	855229615	KPDMIGVKPHARRR-INIZCTEOSA-N	354.406	2.282	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCN(C[C@@H](C)O)CC2)c1	859247502	VPJPAZSIWGHSKQ-MRXNPFEDSA-N	369.465	2.045	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCCN(C(C)C)CC3)C2)cc1	854301056	HAFYDLRLBVPCOW-QGZVFWFLSA-N	360.502	2.400	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3cccc(OC)c3)C2)cc1	850537108	QZBCXXVVCUGGNG-HNNXBMFYSA-N	369.421	2.037	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)C2)cc1	855229049	JTXXXMNOKXFEJT-BEFAXECRSA-N	366.417	2.172	10	10	FECE	
CCOC(=O)CC[C@@H](C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	853919617	CCPWTZKRJKOOIW-CABCVRRESA-N	363.458	2.305	10	10	FECE	
CN1CCN(c2ccc(CN3CCC[C@H](C(=O)N4CCCC4)C3)cc2)CC1	775701871	OASNWMWJXDUAEI-FQEVSTJZSA-N	370.541	2.273	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@H]1[C@H]1CCCOC1	1123488757	HSNHJJNCQHXCHG-HKUYNNGSSA-N	359.470	2.234	10	10	FECE	
CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1NCc1cccc(O)c1O	385449422	XVICFGPVXLNJDA-CFVMTHIKSA-N	352.431	2.258	10	10	FECE	
Cc1ccc(NC(=O)c2cccc(O)c2O)cc1C(=O)N1CCOCC1	787646026	XLEIQMVGVCQSLH-UHFFFAOYSA-N	356.378	2.131	10	10	FECE	
COc1ccc(O)c(CNCCOCCN(C)C(=O)OC(C)(C)C)c1	705914226	XSUVXUXGEGAOGN-UHFFFAOYSA-N	354.447	2.374	10	10	FECE	
CO[C@H]1C[C@@H](C(=O)NCc2ccccc2O)CN(C(=O)OC(C)(C)C)C1	2124339203	WLIQAFINDZITOK-CABCVRRESA-N	364.442	2.280	10	10	FECE	
CCC(CC)[C@@H](O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1256237145	SACZWMWQPHRWJY-MOPGFXCFSA-N	364.534	2.452	10	10	FECE	
O=C(NCc1ccc2c(c1)C(=O)NCC2)NCc1cc(Cl)ccc1O	1469737846	WKPPEPMXPSRLIB-UHFFFAOYSA-N	359.813	2.331	10	10	FECE	
COc1ccc(CNC/C=C/CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1C	1568865822	MBXUTAYYJQSRGT-MULDZMIYSA-N	354.454	2.292	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN(CCOC)C(CC)CC)nc12	1653305289	AHBITUICAFEIMD-UHFFFAOYSA-N	364.446	2.249	10	10	FECE	
COc1ccc([C@H](C)N=c2[nH]nc(CNC(=O)OC(C)(C)C)o2)c(O)c1	2138818002	NDOBAIQHMNZGPT-JTQLQIEISA-N	364.402	2.404	10	10	FECE	
CCN(CC)c1ccc(Cn2c(C)nnc2N2C[C@@H]3OCO[C@@H]3C2)cc1	1695619142	USUYIULASMOYCM-HDICACEKSA-N	357.458	2.043	10	10	FECE	
Nc1ccc(CC(=O)NCc2cc3c(cc2OC(F)F)OCO3)cc1	162270156	MLEPYHNKBUDYQR-UHFFFAOYSA-N	350.321	2.458	10	10	FECE	
O=C(NC1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1)C1CCCCC1	169855965	JUBFYFUDVDPOSW-UHFFFAOYSA-N	362.426	2.105	10	10	FECE	
COCCc1noc(CN(C)C(=O)c2c(C)oc(-n3cccc3)c2C#N)n1	152485806	ICDJQZLXKIVZNG-UHFFFAOYSA-N	369.381	2.095	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)c3cc(C(N)=O)cn3C)cc2)CC1	153134885	UEYFTEWZFXXNMV-UHFFFAOYSA-N	354.454	2.290	10	10	FECE	
CCC[C@@H](NC(=O)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862298505	LWXLKXKVOWMAIZ-GOSISDBHSA-N	361.486	2.285	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12CO[C@](C(=O)N3CCC[C@H](N=[N+]=[N-])C3)(C1)C2	2142247215	AIMYCZFZYZZTFV-AFAVFJNCSA-N	365.434	2.362	10	10	FECE	
C[C@H](NC(=O)[C@@H]1COCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O	827959569	BBGBHUCZMGIKPZ-KBPBESRZSA-N	364.442	2.453	10	10	FECE	
CCc1c(OCCOc2ccc(N)cc2)c(=O)ccn1CCCC(=O)O	1857913468	KIJHPYWANUHVNJ-UHFFFAOYSA-N	360.410	2.316	10	10	FECE	
Oc1c(F)cccc1CNCCn1cc(I)cn1	1963624957	TVZIVDDUXIHZFM-UHFFFAOYSA-N	361.158	2.122	10	10	FECE	
O=C(N[C@H]1CC[C@@H]1NC(=O)c1ccc(O)c(O)c1)OCc1ccccc1	1982317811	WBEMNWOPLWXKEM-GJZGRUSLSA-N	356.378	2.285	10	10	FECE	
CN1CCc2cc([C@H](N)C3(O)CN(C(=O)OCc4ccccc4)C3)ccc21	2001960948	HAXOGGWLQQUVAS-IBGZPJMESA-N	367.449	2.062	10	10	FECE	
CN(CC(=O)NCC(F)(F)F)c1ccc(CO)c(Br)c1	2172130374	HTTMUFUUNVVZCO-UHFFFAOYSA-N	355.154	2.056	10	10	FECE	
C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1[C@H](C)C(=O)Nc1ccc(N)cc1	2162947647	JEERWRFSAYAXHJ-JTNHKYCSSA-N	372.391	2.127	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2060639814	MDUFCXVQJXVSBN-CHWSQXEVSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060638011	QUWCLNFBSVJHCP-YNEHKIRRSA-N	353.423	2.048	10	10	FECE	
COC(=O)C1(OCCCc2ccc(N)cc2)CN(C(=O)OC(C)(C)C)C1	2122974617	TUASTSXKAGKGOV-UHFFFAOYSA-N	364.442	2.381	10	10	FECE	
COc1ccc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H](CO)[C@H]3C2)c(F)c1	2227317243	UZUREEXQYSNNBJ-IFIJOSMWSA-N	366.433	2.498	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H]2OCCC[C@@H]21	2260006212	PMFDZZSOZINHDG-OZVIIMIRSA-N	353.423	2.218	10	10	FECE	
O=C(N[C@@H]1CCc2[nH]ncc2C1)c1cccc2c1C(=O)c1ccccc1C2=O	175355617	RUNKWMGAZSFOOE-CYBMUJFWSA-N	371.396	2.472	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)NC[C@@H](c1cnn(C)c1)N(C)C	118086521	CPIRNNWUSVYXLN-KRWDZBQOSA-N	359.474	2.350	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cc3cn4ccsc4n3)CC2)cc1F	177285201	LJIWJIIEAPMBDE-UHFFFAOYSA-N	374.441	2.435	10	10	FECE	
Cc1nccc(CNC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)n1	175314520	HDFYIGDZXFCRTC-UHFFFAOYSA-N	357.369	2.490	10	10	FECE	
CN(Cc1cccnc1)C[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	190480668	ITWLLYDSWOBYSP-INIZCTEOSA-N	355.438	2.470	10	10	FECE	
COC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(C)c2O)[C@@H](C(=O)OC)C1	272536318	OGAXXDNICMQTON-BXUZGUMPSA-N	355.818	2.281	10	10	FECE	
Cc1ccc(CNS(=O)(=O)N(C)C2CCC2)c(O)c1Br	2380732530	LJQGGWZXWWZMOC-UHFFFAOYSA-N	363.277	2.282	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@]2(CCCOC2)C1	807102389	YPSDHLVTCUHPSL-NRFANRHFSA-N	373.497	2.096	10	10	FECE	
COC(=O)c1ccc(O)c([C@@H](C)NC2CCC(N3CCNCC3)CC2)c1	817982566	GCRILACENJSBQE-ODIFPOPNSA-N	361.486	2.046	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N2C[C@@H]3CCCN3c3ccccc32)c1	731971881	FUAALPILOAPPJU-IJDCCNJMSA-N	362.433	2.470	10	10	FECE	
CCn1ccnc1CNC(=O)NCc1ccc(N2CCSCC2)cc1	836243178	VCXXJVAVNMJCCD-UHFFFAOYSA-N	359.499	2.456	10	10	FECE	
CN(C)c1ccc(CNC(=O)Nc2cccc(O[C@H]3CC(=O)N3)c2)cc1F	841777287	YQAFYPXVCVNUFT-SFHVURJKSA-N	372.400	2.438	10	10	FECE	
C[C@@H](NCC[C@@H]1CNCCS1(=O)=O)c1ccc(Cl)c(Cl)c1O	925790214	ACMLHNMRYNIDBX-NXEZZACHSA-N	367.298	2.126	10	10	FECE	
Cc1cc(O)c(CN2CCC[C@H](CN(C)S(C)(=O)=O)C2)c(Cl)c1	840948058	KSOPQMGNXWTTNS-CYBMUJFWSA-N	360.907	2.457	10	10	FECE	
Cc1cnc(CNC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)c(C)c1	929806305	YFLDHHIBZABLPS-UHFFFAOYSA-N	366.465	2.013	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCc2nnn(C)c2C1	927854585	OHCDWLMBPZZRGN-MRXNPFEDSA-N	370.501	2.359	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@]34C[C@H]3COC43CCC3)C2)cc1	923186837	KAOSQAUXTLSOJG-AUSJPIAWSA-N	357.454	2.285	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3nccn4cc(C)nc34)C2)cc1	855225976	PGVXLMVWUHBDEV-CQSZACIVSA-N	351.410	2.055	10	10	FECE	
C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1nnc2n1CCCCC2	851928962	DQEYOSIHLDOSGE-OAHLLOKOSA-N	370.501	2.038	10	10	FECE	
COC[C@@H](CCNC(=O)NCc1cc(Br)ccc1O)OC	852446137	DPNYXRUIVIIECA-GFCCVEGCSA-N	361.236	2.005	10	10	FECE	
COc1cc(Br)cc(CNC[C@@H](OC)[C@H]2CCOC2)c1O	850344066	ATDQFIYQZAUEQD-IINYFYTJSA-N	360.248	2.304	10	10	FECE	
NC1(CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1	852859852	BZKLXMKNEPPKSM-UHFFFAOYSA-N	357.376	2.040	10	10	FECE	
CNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	772998741	KCMZOIRQKLRCDJ-ZDUSSCGKSA-N	361.467	2.152	10	10	FECE	
Cc1cc(C(=O)CN2C[C@@H]3C[C@]3(CO)C2)c(C)n1-c1ccc2c(c1)OCO2	782607158	SYQIAVQVPGDHKV-YCRPNKLZSA-N	368.433	2.320	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCC(NC3CCOCC3)CC2)cc1	1152953391	PENAQTDZQPTTEV-UHFFFAOYSA-N	359.430	2.222	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCNC(=O)COc2ccc(N)cc2)C1	2115801321	FQUIZBGCPAEMMD-OTVXOJSOSA-N	363.458	2.457	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])C[C@@H]2OCC[C@@H]21	2124503013	GFUNHQIYNZQKEU-XUXIUFHCSA-N	365.434	2.455	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2COC[C@@]2(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2124539872	ABOUVMKCAWVSBI-XNJGSVPQSA-N	365.434	2.171	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)c3cnn(C)c3C)C2)cc1	1328507038	MFQYSRUVROMCQJ-DZGCQCFKSA-N	357.458	2.376	10	10	FECE	
CN1CCN(c2ccc(CN3CCO[C@](C)(C(F)F)C3)cc2F)CC1	1328902676	HRMOHRMOTLMSMJ-SFHVURJKSA-N	357.420	2.434	10	10	FECE	
CN1CCCc2cc(CNC(=O)C(=O)N[C@@H]3C[C@@H]3c3ccccc3)ccc21	1345501307	WCOPRZAFNAAXNP-RTBURBONSA-N	363.461	2.358	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](CO)[C@@H]2CCOC2)CCCC1	1295799272	NBTJUZVCDXNDFS-RDTXWAMCSA-N	372.465	2.042	10	10	FECE	
Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NCc1cccc(Cl)c1O	1606860479	MRGYXIPXMGVNRU-INIZCTEOSA-N	371.828	2.441	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCSC[C@H]2CO)c1	1566499330	NESQBUIPMLZORQ-GOSISDBHSA-N	358.463	2.457	10	10	FECE	
COc1ccc(CNC(=O)Cn2cc(C=O)c(-c3ccccc3)n2)c(O)c1	1633926526	GUUVXHDNHQJIJW-UHFFFAOYSA-N	365.389	2.393	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2Cc3cccc(O)c3C2)C1	1650674469	DSIBHUTZAMYJKY-JLTOFOAXSA-N	374.437	2.118	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC[C@@H](C3OCCO3)C2)c([N+](=O)[O-])c1	1772825495	ZIRGMKSHTKGEGR-BRLPQQTGSA-N	362.382	2.370	10	10	FECE	
COc1ccccc1-n1nc(C(=O)Nc2ccc(N)cc2)c(=O)cc1C	1866284792	JSCFVGHNNUJVDL-UHFFFAOYSA-N	350.378	2.384	10	10	FECE	
COc1ccc(CN[C@H]2[C@H]3OCC[C@H]3[C@H]2NC(=O)OC(C)(C)C)c(O)c1	311309702	XIEWPKIUIWRKIZ-SVGFKBNWSA-N	364.442	2.171	10	10	FECE	
CN(C(=O)CN1CCCC12CN(C(=O)OC(C)(C)C)C2)c1ccc(N)cc1	2163045702	QZFFHRMEDRNAIN-UHFFFAOYSA-N	374.485	2.317	10	10	FECE	
CN(C[C@H]1CCCCS1(=O)=O)c1ccc(CO)cc1Br	694072316	QLVPBRIQZPXUFY-GFCCVEGCSA-N	362.289	2.345	10	10	FECE	
CNCc1ccc(N(CCS(C)(=O)=O)C(C)C)c(Br)c1	2170180641	PPNVZWCJWUKCOO-UHFFFAOYSA-N	363.321	2.428	10	10	FECE	
CCN(CC(=O)Nc1ccc(N)cc1)C[C@H](C)NC(=O)OC(C)(C)C	2044676231	DYAYHEORQHJCFG-ZDUSSCGKSA-N	350.463	2.442	10	10	FECE	
CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1ccc(O)c(O)c1	2054413550	NJJFWEDBLRYWHN-LBPRGKRZSA-N	350.415	2.427	10	10	FECE	
C[C@](NC(=O)C(F)(F)F)(C(=O)N1CCC[C@H](N=[N+]=[N-])C1)C(F)(F)F	2060639185	FJYBPLWKBPYHMF-RCOVLWMOSA-N	361.246	2.287	10	10	FECE	
C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)COc1ccc(N)cc1	2106229295	ITBNNMRRYIULAA-BBRMVZONSA-N	363.458	2.409	10	10	FECE	
COc1ccc(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c(CO)c1	2227710240	CSFNHHSESGNRNR-NHCUHLMSSA-N	354.450	2.277	10	10	FECE	
O=C1c2ccccc2-c2onc3c(N4CCOCC4)cc(NCCO)c1c23	6737952	FEDZXHRHXCBMSM-UHFFFAOYSA-N	365.389	2.280	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)OC(C)(C)C)CC2)cc1F	177521925	QHXPKSYJOHZPRQ-UHFFFAOYSA-N	353.438	2.481	10	10	FECE	
C[C@@H]1CN(Cc2ccccc2)CCN1c1ccc2c(c1)N(C)C(=O)[C@H]2N	382692148	HZPGBJYWLJJEEA-QRWLVFNGSA-N	350.466	2.374	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc2c(c1)CCCO2	276110480	OHTIVUZQYIJDHT-LBPRGKRZSA-N	370.405	2.109	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N2CCO[C@H](c3ccsc3)C2)cc1	283556578	QYTRRUUZJOLDBT-KRWDZBQOSA-N	373.478	2.030	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cccc(C2CC2)n1	294055204	GURLUGYOQZQQRO-LLVKDONJSA-N	355.394	2.056	10	10	FECE	
C[C@H](CO[C@H]1CCOC1)NC(=O)NCc1cc(Br)ccc1O	805191723	PKQIAMASZAUJGE-MFKMUULPSA-N	373.247	2.148	10	10	FECE	
COc1ccc(N2C[C@@H](N)[C@H](C(F)F)C2)c(OC)c1Br	2162637878	XZMIVLFGQLZZLV-HTQZYQBOSA-N	351.191	2.495	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCO[C@@H](C2CCC2)C1	823524025	NPDPITLINBUPEQ-HXUWFJFHSA-N	373.497	2.358	10	10	FECE	
Cn1cnc(-c2cccc(NS(=O)(=O)c3cc(F)cc(F)c3O)c2)n1	821198001	IXIBKPCLYHDKFX-UHFFFAOYSA-N	366.349	2.267	10	10	FECE	
COc1ccc([C@]2(C(=O)NCc3cccc(OC)c3O)C[C@H](O)C2)cc1	901126624	DXFWTWNJICBHTP-SGNKCFNYSA-N	357.406	2.118	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCC[C@@H](CNS(C)(=O)=O)C2)cc1	835025420	UOQUFSVORIPAHE-AATOQMJSSA-N	351.516	2.027	10	10	FECE	
C[C@H](N)[C@H](C)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	841843397	HEGFBLULDJGBJV-AVGNSLFASA-N	356.417	2.292	10	10	FECE	
CC1(C)[C@H]2NCCC[C@H]2[C@@H]1NCc1ccc(N2CCC(C(N)=O)CC2)cc1	925777350	MSVPYZXHJASKFJ-AABGKKOBSA-N	370.541	2.255	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)c3ccsc3)C2)cc1	852451840	QAAPKDHZMHJZPM-YOEHRIQHSA-N	361.467	2.368	10	10	FECE	
CCOC(CC(=O)NCc1ccc(N2CCC(O)CC2)cc1)OCC	856211880	BVBLPCZSBIPJRM-UHFFFAOYSA-N	350.459	2.053	10	10	FECE	
COc1ccc(N2CC[C@H](N[C@@H](C)C3CCS(=O)(=O)CC3)C2)cc1	850489194	RWKWMXYGHSUAEA-HOCLYGCPSA-N	352.500	2.077	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)OCC(=O)N1CCC[C@H](C(F)(F)F)C1	750556703	WOSRRYZUVHCNLZ-FUEXJSSKSA-N	373.327	2.455	10	10	FECE	
Nc1ccccc1S(=O)(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	767784904	RFIRBNDSKKDAIE-OAHLLOKOSA-N	362.451	2.344	10	10	FECE	
COC(=O)c1cc(OCc2nc3ccccc3n(C)c2=O)ccc1N(C)C	865395804	BYCIQJBSBGVIST-UHFFFAOYSA-N	367.405	2.365	10	10	FECE	
CCOC(=O)c1cc(CNC(=O)NCc2ccc(N3CCCC3)cc2)on1	868111758	HLZQDPJJHLKSGW-UHFFFAOYSA-N	372.425	2.451	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CNC[C@@H](n2cccn2)C(F)(F)F)c1O	862434943	LANQAAKKEREFEO-LLVKDONJSA-N	360.292	2.399	10	10	FECE	
CCOC(=O)c1nn(C)cc1CN[C@H](C)c1ccc(N2CCOCC2)cc1	770648321	DZOLWUJUGCRGDG-OAHLLOKOSA-N	372.469	2.284	10	10	FECE	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2cn(C)nn2)cc1	783292210	IUDSXINVVIHAFA-UHFFFAOYSA-N	368.441	2.386	10	10	FECE	
Cc1ccncc1S(=O)(=O)N(C)Cc1ccc(N2CCOCC2)cc1	787918364	JCHVABGCGILPFF-UHFFFAOYSA-N	361.467	2.047	10	10	FECE	
O=C(NC[C@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1)c1ccccc1	1137136156	UCWPEXGEEYXJEN-QGZVFWFLSA-N	368.433	2.451	10	10	FECE	
C[C@H](NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1cc(F)ccc1O	705767704	QGUHQRLNBTZHIR-MKBNYLNASA-N	354.422	2.410	10	10	FECE	
CN1CCc2cc(CNC[C@@]3(NC(=O)OC(C)(C)C)CCOC3)ccc21	688503801	VMGJMGLCTIVOGA-FQEVSTJZSA-N	361.486	2.452	10	10	FECE	
COc1cccc(CNC(=O)/C=C/c2ccc3c(c2)NC(=O)CO3)c1O	1150543320	LJKQIBHOIINYIV-SOFGYWHQSA-N	354.362	2.061	10	10	FECE	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@H](C)S(N)(=O)=O)c1	1319696123	ZAUXQXAKDCPLRR-LBPRGKRZSA-N	369.874	2.154	10	10	FECE	
O=C(NCC[C@@H]1C[C@H]1C1CC1)C(=O)NCc1ccc(N2CC=CC2)cc1	1334784885	PEAKDBSDNZBQKR-MJGOQNOKSA-N	353.466	2.231	10	10	FECE	
CC(C)(C)OC(=O)N1CC(NCc2ccc(Cl)cc2O)(C(=O)O)C1	1913515575	FPOZDIKMSARHFQ-UHFFFAOYSA-N	356.806	2.209	10	10	FECE	
CN1C(=O)[C@H](O)c2ccc(N(Cc3ccccc3)[C@@H](CO)C3CC3)cc21	1915281158	KBUVDATWMACNAY-VQTJNVASSA-N	352.434	2.474	10	10	FECE	
COC[C@@H](F)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1O	1518754705	YEIZZRAKOIQADX-HNNXBMFYSA-N	374.420	2.005	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)NCc2cccc(O)c2O)C1	1521851434	LZALMIFQWRLOGY-KRWDZBQOSA-N	354.378	2.063	10	10	FECE	
CSCC[C@H](NC(=O)c1ccccc1)C(=O)NCc1cccc(O)c1O	1528771788	YPVXQWFILQOJRM-HNNXBMFYSA-N	374.462	2.266	10	10	FECE	
Cc1ncc([N+](=O)[O-])n1CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	1466290619	ZSMODCUEJKEZPQ-HNNXBMFYSA-N	374.397	2.013	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@@](C)(O)[C@@H](N)c1ccccc1O	1920086216	MXCCYKGOQXVMQU-IYJAJMOOSA-N	366.458	2.169	10	10	FECE	
CCS(=O)(=O)c1ccc(CNC(=O)c2c(F)ccc(O)c2O)s1	1611258061	SPVGOUMLMXCESV-UHFFFAOYSA-N	359.400	2.022	10	10	FECE	
C[C@H](NC(=O)C1(CC(=O)N2CCOCC2)CCCC1)c1ccccc1O	1635799136	QKRXWHQQLMJFEL-HNNXBMFYSA-N	360.454	2.379	10	10	FECE	
CCOc1ccc(N2CCN(CC[S@@](=O)C(F)(F)F)CC2)cc1	1649398778	XOZAZVYSDQLGTN-HSZRJFAPSA-N	350.406	2.476	10	10	FECE	
CN(C)c1ncnc2c1cc(C(=O)NCc1cccc(Cl)c1O)n2C	1648606735	WYQDDDRBVFSJGX-UHFFFAOYSA-N	359.817	2.323	10	10	FECE	
CN(C)c1ccc(CNCCN2CCN(C(=O)OC(C)(C)C)CC2)cc1	237088116	FEJCAZAFKQPBNB-UHFFFAOYSA-N	362.518	2.395	10	10	FECE	
Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)NCCCCN=[N+]=[N-]	1964945048	RWEITICHWWSNRN-UHFFFAOYSA-N	351.411	2.265	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C	1968792387	RDDWUXOLWJDQDT-QWHCGFSZSA-N	352.431	2.187	10	10	FECE	
CS(=O)(=O)C[C@H]1C[C@H](NCc2cc(Br)cc(F)c2O)C1	1974470160	IIUGYMIXHDSNIL-JLIMDTESSA-N	366.252	2.207	10	10	FECE	
CS(=O)(=O)c1cnn(Cc2cc(Br)ccc2O)c1Cl	2070244327	BKUVGZQQFMETDQ-UHFFFAOYSA-N	365.636	2.456	10	10	FECE	
CCOC[C@](O)(CNC(=O)OC(C)(C)C)[C@H](N)c1ccc(N(C)C)cc1	2106858859	BPCRDISFUIHGIJ-VQIMIIECSA-N	367.490	2.045	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(C(=O)N[C@@H]3CCC[C@H]3N=[N+]=[N-])(CO1)C2	2225796113	UIYIEAYBRJEFJA-VDQHWBOFSA-N	365.434	2.408	10	10	FECE	
COc1ccc(Br)c(CN[C@H](CO)c2cscn2)c1O	2236054046	DKBAINVUMUMGBH-SNVBAGLBSA-N	359.245	2.443	10	10	FECE	
CC(=O)Nc1ccc(N2C(=O)CC(=Cc3ccc(O)c(O)c3)C2=O)cc1	2296601176	BCZUDJHKDZAEIZ-UHFFFAOYSA-N	352.346	2.403	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NCc3cccc(O)c3O)CO[C@@H]1C2	2312831689	CCFDBRDGWAWLDG-DFHBCGBQSA-N	350.415	2.012	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CC(=O)NCCc1ccc(O)c(O)c1	2335798659	IHNCAUANWSYPFH-ZIAGYGMSSA-N	364.442	2.307	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1cc(O)c(O)c(O)c1)C(C)(C)C	2336948384	GXOXHSUTRIIAHY-ZDUSSCGKSA-N	368.430	2.473	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCc1cscn1	51308869	ZUKQVMCVZZZPNU-UHFFFAOYSA-N	360.483	2.351	10	10	FECE	
COC(=O)[C@H]1C[C@H](C)N(C(=O)c2cc(O)c(O)c(O)c2)c2ccccc21	170190732	LMQCWYAQHVBEDU-GWCFXTLKSA-N	357.362	2.499	10	10	FECE	
NC(=O)c1cnccc1NCc1ccc(N2CCN(CC3CC3)CC2)cc1	302156844	NWMVAIANKGAYCS-UHFFFAOYSA-N	365.481	2.325	10	10	FECE	
COc1ccc(N2CCN(CCCN[C@H]3CCN(C4CC4)C3)CC2)cc1	178423207	STSMSUBGUDTMTE-SFHVURJKSA-N	358.530	2.034	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2C[C@H](C)[C@@H](N3CCOCC3)C2)c1O	177232366	CAAPMUDRZLLDPC-SJCJKPOMSA-N	352.862	2.401	10	10	FECE	
COc1ccc(N(CC(=O)NCCNC(C)=O)Cc2cccs2)cc1	181556621	YNIZMMXYVDUXKI-UHFFFAOYSA-N	361.467	2.016	10	10	FECE	
O=S(=O)(c1ccccc1)N1CCOc2ccc(N3CCOCC3)cc2C1	257196180	XSZOJQYARMJVLU-UHFFFAOYSA-N	374.462	2.107	10	10	FECE	
CC[C@H](C)NC(=O)c1cc(N2CCN(c3ccc(OC)cc3)CC2)ncn1	253444921	FKFVSHKILDDPJX-HNNXBMFYSA-N	369.469	2.340	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)N[C@@H]1CCN(CC2CC2)C1	805137354	OIAMAPNOKWUGHU-CQSZACIVSA-N	368.275	2.438	10	10	FECE	
CC(C)(C)OC(=O)NCCCCNC(=O)c1ccn(-c2ccc(N)cc2)n1	2162519782	JDSMJPBBZDAJNO-UHFFFAOYSA-N	373.457	2.489	10	10	FECE	
O=[N+]([O-])c1cc(Br)c(O)c([C@H](C2CC2)N2CCNCC2)c1	575267623	MPHOGSAJDCNVKM-ZDUSSCGKSA-N	356.220	2.419	10	10	FECE	
CC[C@H]1Oc2ccc(C(=O)O)cc2N(OCCOc2ccc(N)cc2)C1=O	821299186	INAZPPOXIVUBJB-MRXNPFEDSA-N	372.377	2.482	10	10	FECE	
CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCCCSc1nccs1	829528639	UXTGMMUJMHZBPN-HSMVNMDESA-N	355.529	2.274	10	10	FECE	
C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3COC(=O)N3)cc2Cl)C1	831804926	PTPBKINGANRNDV-SMDDNHRTSA-N	351.834	2.301	10	10	FECE	
CN(C)c1ccc(/C=C/CNCCS(=O)(=O)NCc2ccccc2)cc1	835038340	WCLAJFBFXHVAMN-RMKNXTFCSA-N	373.522	2.475	10	10	FECE	
COc1ccc(N2CCN(CCN[C@H]3CCN4CCC[C@@H]4C3)CC2)cc1	754792447	BTJXIQGSNMKHJR-AZUAARDMSA-N	358.530	2.034	10	10	FECE	
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)c2c(F)ccc(O)c2O)C1	857303999	RVZDQTAGMASSDC-SFYZADRCSA-N	365.279	2.051	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NC[C@@H]2COCCN2C)c1O	858522898	KYSUHZGLZGDLIR-ZYHUDNBSSA-N	359.264	2.145	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)NCc1c(O)cccc1F	928705294	FYCNZKHQTCVNSH-JYAVWHMHSA-N	350.390	2.260	10	10	FECE	
C[C@H](NC(=O)N1CCC([C@H]2COC(=O)N2)CC1)c1ccc(N(C)C)cc1	922056383	ZIVNRCBWDUNUFN-SUMWQHHRSA-N	360.458	2.344	10	10	FECE	
COC(=O)[C@@H]1C[C@H]1[C@@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1	850073188	XNGDCPYNSZLLSR-UHOFOFEASA-N	350.434	2.074	10	10	FECE	
CCn1ncc(CNC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)n1	862378563	WQRJXVCZARJDJT-UHFFFAOYSA-N	351.410	2.448	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCN3C(=O)OCC[C@H]3C2)c1	781909280	IQQBOEIISRMCGN-LBPRGKRZSA-N	355.232	2.490	10	10	FECE	
C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)c1cc2cc(O)c(O)cc2s1	897734515	HHBCWWJGUOSFCK-AAEUAGOBSA-N	362.451	2.248	10	10	FECE	
Cc1ccc(C(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)c(O)c1O	799724809	SBHDFFIGQPDYOH-UHFFFAOYSA-N	353.382	2.305	10	10	FECE	
CCN(CC)C(=O)[C@@H]1CSCN1C(=O)c1ccc(N=NC(N)=O)cc1	1135843858	DDLAXPOFZFJOTO-ZDUSSCGKSA-N	363.443	2.233	10	10	FECE	
CNCc1ccc(N(C)C2CCS(=O)(=O)CC2)cc1Br	694192764	VHFLDEUJWGLXDF-UHFFFAOYSA-N	361.305	2.182	10	10	FECE	
COC(=O)C1(CS(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CCCCC1	793410260	SXLFNHGMHLNDSQ-UHFFFAOYSA-N	372.399	2.166	10	10	FECE	
COc1cccc(CC(=O)NCc2cccc(Br)c2O)n1	1156792759	PKBNKEHSCWYIQZ-UHFFFAOYSA-N	351.200	2.417	10	10	FECE	
CCc1nc(C)ncc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1	1167762023	DWKCNYHWVTXFSX-UHFFFAOYSA-N	354.454	2.239	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCC[C@H]1CN=[N+]=[N-])[C@@H]1CCOC1	2124506751	AJGXIIPUUCZBDD-RDBSUJKOSA-N	367.450	2.465	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)NCc1cn(CC)c(=O)nc1O	1251691701	UNABJDALXQQNQY-UHFFFAOYSA-N	374.441	2.186	10	10	FECE	
C[C@H]1COCC[C@H]1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	1261118809	BILMXEUXNOWBDZ-WMLDXEAASA-N	372.421	2.055	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@@H]1CC=CC[C@H]1C)c1ccc(N2CCOCC2)cc1	1340600806	CQJUDEOSLRLVJI-JTDSTZFVSA-N	371.481	2.171	10	10	FECE	
Cc1oc(S(C)(=O)=O)cc1C(=O)NCc1ccc2cccnc2c1O	1451951162	BXBOBSWMGYBWLV-UHFFFAOYSA-N	360.391	2.175	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](F)C(=O)NCc2cccc(O)c2O)C1	1521851094	GNZGHAOWWZMTTP-TZMCWYRMSA-N	368.405	2.309	10	10	FECE	
Nc1ccc(CC(=O)N2CCN3[C@H](COC[C@@H]3c3ccccc3)C2)cc1	1615965095	CXXLATYRJUCEDK-VQTJNVASSA-N	351.450	2.096	10	10	FECE	
Cc1cc(CC(=O)NCCN2C(=O)CCCC2=O)c(C)n1-c1ccccc1	1586640544	IVHDZYPBAKJNKY-UHFFFAOYSA-N	367.449	2.292	10	10	FECE	
CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1Cc1cnnn1C	1752615253	HFZNEMYWWDRXCQ-ZDUSSCGKSA-N	355.446	2.310	10	10	FECE	
CCN1C[C@H](C)N(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C[C@H]1C	1687023248	POHOYHKTNVZSRW-IKGGRYGDSA-N	360.502	2.398	10	10	FECE	
CN(C)c1ccc([C@H](NC(=O)/C=C/c2cncnc2)c2nccn2C)cc1	1866147755	LIZLATPOPZMOIU-QFXLTXBMSA-N	362.437	2.195	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccccc1O)[C@@H](O)C(C)(C)C	1877999504	AIZODYSRFSEGDC-HUUCEWRRSA-N	366.458	2.309	10	10	FECE	
C[C@@H](N)c1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)c(Br)c1	2148776486	IQRFUNDEWFHZNW-MNOVXSKESA-N	361.305	2.340	10	10	FECE	
Nc1ccc(CC(=O)NC2CC(NC(=O)OCc3ccccc3)C2)cc1	1977688324	YRNFLDALABLTRG-UHFFFAOYSA-N	353.422	2.385	10	10	FECE	
O=C(O)C=Cc1ccc(O)c(O)c1C(=Cc1ccc(O)c(O)c1)C(=O)O	2042455669	OAHRXWZJURTMHG-UHFFFAOYSA-N	358.302	2.232	10	10	FECE	
CN1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CCC1=O	688923719	ZMAWVXFXWNTVAE-UHFFFAOYSA-N	374.485	2.231	10	10	FECE	
CO[C@@H](CCNC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2060611580	VWZBIQBDIPUFQF-OLZOCXBDSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CCCO1	2060636053	STKNCMLCQNOEEM-LRDDRELGSA-N	353.423	2.219	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060614445	CJNUYXQGQQIJLF-XQQFMLRXSA-N	353.423	2.170	10	10	FECE	
COC1(C(=O)N2CC[C@H](N=[N+]=[N-])C2)CCN(C(=O)OC(C)(C)C)CC1	2060609989	CEGSKRGIVHWTFA-LBPRGKRZSA-N	353.423	2.314	10	10	FECE	
C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)c1c(O)cccc1O	2063347565	BEMYQBGMKQLZBS-YNEHKIRRSA-N	352.431	2.119	10	10	FECE	
C[C@H](NC(=O)[C@@H](CN(C)C)NC(=O)OC(C)(C)C)c1ccccc1O	2072479612	LHYFHLAOLAPHDQ-GXTWGEPZSA-N	351.447	2.024	10	10	FECE	
Cc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2CO)c(O)c1	2084071468	FDNSSEKUVKDGQP-HZPDHXFCSA-N	350.459	2.408	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NCc1ccc(F)cc1O	2084176510	RBZKRGPXANERTA-UKMLZYKCSA-N	352.406	2.302	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@](C)(O)C3CN(C(=O)OC(C)(C)C)C3)ccc21	2106844031	OLQUDMFVQOJDKZ-YLJYHZDGSA-N	361.486	2.297	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CN(c3cc4c(cc3N)OCCO4)C[C@@H]2C1	2106877535	KYQQTYGIGPPKAV-CHWSQXEVSA-N	361.442	2.343	10	10	FECE	
Cc1cccc(CNC(=O)[C@H]2CCOCCN2C(=O)OC(C)(C)C)c1O	2269768914	IRDDKLPSODHKNH-OAHLLOKOSA-N	364.442	2.343	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CO1	2264798438	IAJFXSSARWIGKN-RDBSUJKOSA-N	367.450	2.465	10	10	FECE	
CN(C)c1ccc([C@@H](CN)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)cc1	2286109217	IMYFUKXEWSLEPC-GDBMZVCRSA-N	372.435	2.285	10	10	FECE	
C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc3c(c2)OCCO3)SC1=S	2323693481	UWVVICFYEOOXRS-QMMMGPOBSA-N	351.405	2.132	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-])[C@@H]1CCOC1	2312333262	FNGGLGQJNGSPAE-FVCCEPFGSA-N	353.423	2.264	10	10	FECE	
O=C(CC[C@H]1CCCOC1)NCc1ccc(N2CCOCC2)c(F)c1	175363794	IZYNUEGYHUUVAQ-OAHLLOKOSA-N	350.434	2.485	10	10	FECE	
CCc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(N3CCOCC3)cc1)CC2	180608857	WSHZNNDNOBCRPS-WBVHZDCISA-N	355.486	2.343	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H](C)[C@H]3CCCO3)CC2)cc1F	84852750	XBNZCLJUFGOCKE-CZUORRHYSA-N	351.422	2.233	10	10	FECE	
C[C@H]1CN(C(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)C[C@@H](C)O1	246307026	VXCYUQRZGXACIV-SOLBZPMBSA-N	362.470	2.009	10	10	FECE	
Cc1c(/C=C\C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cnn1C	255508334	BWROHADEWIFBFQ-XQRVVYSFSA-N	372.444	2.158	10	10	FECE	
Cn1nccc1[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1	370537344	DFZLGITXSIFIQC-NSHDSACASA-N	357.370	2.043	10	10	FECE	
CC[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)c1nccs1	803662378	VOXLAFJTERMHPF-CYBMUJFWSA-N	364.446	2.232	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)C2	819398023	HPAVQUISOBHKBR-KNPMLCFXSA-N	362.426	2.445	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3CCC[C@@H](CO)C3)C2)cc1	824681875	QQROKXJGXZJFBF-ZACQAIPSSA-N	361.486	2.372	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N2CCCN(C)c3cc(F)ccc32)c1	737623528	NCPAGPSETYDITA-DAXSKMNVSA-N	368.412	2.467	10	10	FECE	
C[C@H](NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1cn(C)nn1	902892689	NYMHGECDLHLKDY-INIZCTEOSA-N	354.502	2.198	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](NC(=O)c2cccc(O)c2O)C1	834224157	OQBJEPUABZJISM-LBPRGKRZSA-N	372.368	2.472	10	10	FECE	
C[C@H](NC(=O)[C@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1ccccc1O	913764014	YFPABVAXLFRCED-WWGRRREGSA-N	366.458	2.433	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CCS1	929524983	YVZSXVMEBOHZRK-GDBMZVCRSA-N	361.511	2.303	10	10	FECE	
C[C@@H](NC(=O)c1ccc2c(n1)OCCO2)c1ccc(N2CCOCC2)cc1	846836412	PYCLFSXCOHUORV-CQSZACIVSA-N	369.421	2.180	10	10	FECE	
CC1(C)C[C@H](S(=O)(=O)NCc2cc(Br)ccc2O)CO1	859158062	YZYRHWDYYTYBOQ-NSHDSACASA-N	364.261	2.142	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C[C@@H](C)NC(=O)C3CCCC3)C2)cc1	855229370	JJDMRDPYKMCMGW-WBVHZDCISA-N	373.497	2.475	10	10	FECE	
COC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1cc(F)cc(F)c1O	753020254	PODXBNGFIBEFFB-UHFFFAOYSA-N	369.345	2.208	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3C[C@H](C)[C@@H](O)[C@H](C)C3)CC2)cc1	853643753	NUGFUPXEQUOLPE-QWHZDKJVSA-N	361.486	2.322	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@]4(CCCOC4)C3)C2)cc1	852450101	YTJYOYCXIUHOIU-OXJNMPFZSA-N	359.470	2.486	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)C3(C(F)F)CCC3)cc2)CC1	867680830	ITRFJSUYLLBEDY-UHFFFAOYSA-N	365.424	2.407	10	10	FECE	
C[C@H](NC(=O)NC1CCN(C2CCN(C)CC2)CC1)c1ccccc1O	868210630	FMGHXGHJQDXNKQ-HNNXBMFYSA-N	360.502	2.311	10	10	FECE	
CCOCCONC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	768001889	BTPAVZHQTNDJPI-UHFFFAOYSA-N	359.470	2.492	10	10	FECE	
COC(=O)c1c(CN[C@H](C)[C@H](CO)SC)c2cc(F)ccc2n1C	894279812	AJVRPEKXTWROQY-BMIGLBTASA-N	354.447	2.306	10	10	FECE	
COC(=O)c1c(CN2CC(c3nc(C)no3)C2)c2cc(F)ccc2n1C	894971118	SIUZEAFDOYSHRK-UHFFFAOYSA-N	358.373	2.395	10	10	FECE	
CSc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1C	790231422	OUZWZBDAIHRZSL-UHFFFAOYSA-N	360.483	2.251	10	10	FECE	
COc1ccc(CNC(=O)C(=O)Nc2ccnn2C2CCCCC2)c(O)c1	797386979	ADNOKGDVAOSSBY-UHFFFAOYSA-N	372.425	2.357	10	10	FECE	
Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)NCc2c(O)cccc2O)c1	1304050182	JWWKXSIOXDDQCS-MRXNPFEDSA-N	354.406	2.327	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)N(C)C)cc1	1304767507	HZWHBOXOOFIUQI-GOSISDBHSA-N	372.425	2.399	10	10	FECE	
CN(C)c1ccc(CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2CO)cc1	2116264430	FGFFUCMQRYHQHK-AEFFLSMTSA-N	363.502	2.460	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CC[C@@H]2[C@@H](C1)C2(F)F	1233603186	BHGCGUJHJFECAM-IAGOWNOFSA-N	365.424	2.444	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2COCC[C@@]2(C(=O)NCCCCN=[N+]=[N-])C1	2124518554	ZKXBJQGWKVAMSO-CXAGYDPISA-N	367.450	2.467	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)N2CCC(CN=[N+]=[N-])CC2)C1	2124543520	SHZOUYCVNLYZPS-KRWDZBQOSA-N	367.450	2.155	10	10	FECE	
C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@@H](c2ccccc2)O1	1329788898	XGSWNTOHSCCSNO-KUHUBIRLSA-N	366.417	2.223	10	10	FECE	
CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)N1Cc2cccc(O)c2C1	1329378368	HWRRVBNYZZVRDT-LJQANCHMSA-N	368.433	2.125	10	10	FECE	
CC(C)(C)OC(=O)N1CC(ONCc2ccc(N3CCOCC3)cc2)C1	2122886864	XZWQESXHEQWNFN-UHFFFAOYSA-N	363.458	2.164	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])OCC12CC2	2127540794	AWQYPMYLGFLOEO-STQMWFEESA-N	365.434	2.456	10	10	FECE	
CO[C@@H](C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CCCC1	1334279143	BNQQEGVUXFRXLH-LJQANCHMSA-N	373.497	2.210	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1CN(C2CC2)C(=O)O1	1252333045	HZSCMFILZKTEJQ-SFHVURJKSA-N	372.469	2.411	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2cccc(Cn3ccnn3)c2)cc1F	1357200719	NDUKXEKJAJUNSY-UHFFFAOYSA-N	353.401	2.462	10	10	FECE	
COc1ccc(N2CCC(NC(=O)/C=C\[C@H]3COC(C)(C)O3)CC2)cc1	1464704976	PLWZCIAZCWUGIG-GIFJBRJJSA-N	360.454	2.488	10	10	FECE	
CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)Cc1ccc(O)c(O)c1	1623710317	JEZQFICUZSKVNE-AWEZNQCLSA-N	363.435	2.009	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@H]1CCCN1c1ncnc2sccc12	1644752529	JIKUOQJMVHJARR-CQSZACIVSA-N	370.434	2.388	10	10	FECE	
CCOC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)c1ccc(N=NC(N)=O)cc1	1645091890	OPOSVCGHLBLECP-ZIAGYGMSSA-N	362.386	2.080	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1cccc(CNc2ccncn2)c1	1570462389	RHYCBVRKQWKAMC-UHFFFAOYSA-N	350.378	2.430	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@@H](c1ccccc1)N1CCCCC1=O	1652623141	ORMMMQCZUNZFNO-LJQANCHMSA-N	354.406	2.468	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3CCS[C@@H]3C)CC2)c(OC)c1	1682466452	MXKNRSKGACRNBN-UKRRQHHQSA-N	365.499	2.429	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(F)(F)C[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1	2049781450	VFFFJGOVLYWQAW-IJLUTSLNSA-N	360.401	2.287	10	10	FECE	
C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc(O)c(O)c1	2054401657	VNJVXMPFVKLWBG-RYUDHWBXSA-N	350.415	2.473	10	10	FECE	
CN(Cc1ccccc1O)C(=O)CC[C@H](O)CNC(=O)OC(C)(C)C	2060454203	DNMZVCFCAFGJNS-AWEZNQCLSA-N	352.431	2.016	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)C[C@H]1COCC[C@H]1NC(=O)OC(C)(C)C	2060613991	XIIWCKTWNOMIQS-QWHCGFSZSA-N	355.439	2.465	10	10	FECE	
COC[C@H](CC(=O)N1CCC(CN=[N+]=[N-])CC1)NC(=O)OC(C)(C)C	2060617828	RGZKKMIXHVVYHF-ZDUSSCGKSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2060636785	BOYJJUPXQAUMQF-CHWSQXEVSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](CO)C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2067793697	YEUDZYBVICSWDT-QWHCGFSZSA-N	355.439	2.059	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C[C@H](O)C1	2073246894	XVXQLVHGEDCXCT-HSMVNMDESA-N	353.423	2.096	10	10	FECE	
Nc1ccc(CNC(=O)[C@H]2CC[C@H](C(=O)O)N2Cc2ccccc2)cc1	2105909851	DIMCCWWHZSROFI-QZTJIDSGSA-N	353.422	2.003	10	10	FECE	
C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccn(-c2ccc(N)cc2)n1	2106237852	UMUMYYJZEFALST-GFCCVEGCSA-N	359.430	2.098	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CCCN1c1cc2c(cc1N)OCC(=O)N2	2106704736	GKXBZWAGVRGKTI-LLVKDONJSA-N	362.430	2.093	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)NCc1ccccc1CN1CCOCC1	2307982158	QREZDICAWFYLFL-UHFFFAOYSA-N	368.433	2.260	10	10	FECE	
C[C@@H](NC(=O)[C@@H]1OCC[C@@H]1CNC(=O)OC(C)(C)C)c1ccccc1O	2332172805	KGEHFWBFVGOTMO-XJKCOSOUSA-N	364.442	2.499	10	10	FECE	
NCc1ccc2c(c1)CCN2Cc1ncc(I)cn1	2353069705	AXGMEQWDFOVJKW-UHFFFAOYSA-N	366.206	2.103	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCC(=O)N(C)C2)cc1F	126207647	HDFQNBLWXPEONK-CQSZACIVSA-N	350.438	2.092	10	10	FECE	
CC(C)CN1C(=O)/C(=C\N[C@H](C)c2ccc(F)cc2F)C(=O)NC1=S	121037520	XWFRCMLKPIJHFA-QVASGMJFSA-N	367.421	2.399	10	10	FECE	
COc1ccc(N2CCN(C(=O)CCCNC(=O)c3ccco3)CC2)cc1	47221486	FJZXDWVJADVNAZ-UHFFFAOYSA-N	371.437	2.147	10	10	FECE	
O=S(=O)(C1CC1)N1CCCN(Cc2cc3c(cc2O)CCCC3)CC1	802746236	IPPRUJUQRCIBHH-UHFFFAOYSA-N	364.511	2.271	10	10	FECE	
Cc1noc(C)c1CN1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	588403507	LUIKFUMVECIPSK-XQRVVYSFSA-N	357.410	2.060	10	10	FECE	
C[C@@H](NC(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)c1ccccc1O	913763575	KPCOPSJLMSFRIF-JGFGOQIWSA-N	369.339	2.380	10	10	FECE	
Nc1ccc(CCNC(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1	841890139	YFJNXGYRZOAFPO-SFHVURJKSA-N	370.428	2.051	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1	922916488	VKQLJNPESGBFNF-FXECBMLZSA-N	361.486	2.095	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)c1	848557140	FMUHWYCBUVZZNW-KBXIAJHMSA-N	350.459	2.327	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCCC[C@@H]2CNC(C)=O)c([N+](=O)[O-])c1	858863969	RFCABFXTHCHOEG-LOWQCSRCSA-N	361.398	2.276	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCC[S@@](=O)C(C)(C)C)C2)cc1	852118016	CXKXGPZUDRFADT-DLUDVSRJSA-N	367.515	2.120	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C[C@H]1CC2(CNC2)CO1	923315701	YEMOATBOOSECJM-CQSZACIVSA-N	355.276	2.355	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3Cc4ccccc4CN3)C2)cc1	852901016	YDHSQBOGUJHQMW-PXNSSMCTSA-N	351.450	2.105	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3CCn4cc(C)nc4C3)CC2)cc1	858128395	MIPDOSSKCCGEJD-INIZCTEOSA-N	354.454	2.111	10	10	FECE	
CCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2cc(OC)ccc2O)nc1C	850366414	ZJNXXVNDWCYFHK-NSHDSACASA-N	373.409	2.319	10	10	FECE	
COC(=O)/C=C/c1ccc(N(C)CC(=O)Nc2cc(C)on2)c([N+](=O)[O-])c1	931398964	YSAATWRECOQISD-FNORWQNLSA-N	374.353	2.152	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CNC(=O)c1cc(F)cc(F)c1	935947585	AELQUSDIFXROLO-UHFFFAOYSA-N	369.364	2.202	10	10	FECE	
O=C1N[C@H](Cc2cncs2)C(=O)N1Cc1ccc(N2CC=CC2)cc1	871899257	MWZBXPDPDSJMEW-MRXNPFEDSA-N	354.435	2.182	10	10	FECE	
C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1	1119019066	IZSVGZQYZULBLP-ZWNOBZJWSA-N	356.344	2.424	10	10	FECE	
CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1	773086674	FVGSCANDDZKXAE-CYBMUJFWSA-N	361.467	2.152	10	10	FECE	
CCN(C(=O)c1ccc(C)c(O)c1O)C1CN(C(=O)OC(C)(C)C)C1	780982338	FHSLAZUVOCTWML-UHFFFAOYSA-N	350.415	2.488	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CC[C@@H]3CN(C)C[C@@H]32)cc1	1123801186	BRNWHSBWRLOZJU-AYOQOUSVSA-N	360.502	2.113	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H]3CC(C)(C)CO3)cc2)CC1	890129515	SWWVBDQXUYIVGT-LJQANCHMSA-N	373.497	2.177	10	10	FECE	
CCOC(=O)c1n[nH]c([C@@H](C)NCc2cc(F)c(N(C)C)cc2F)n1	895240841	GKNRTEYVPMMICG-SECBINFHSA-N	353.373	2.176	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC2CCN(C[C@H]3CCOC3)CC2)cc1	1136850377	RWFDJTGENLFTGF-CYBMUJFWSA-N	359.430	2.080	10	10	FECE	
c1cc(N2CCOCC2)ccc1CNCC1(N2CCCC2)CCOCC1	1200212999	HNAFLHMFSLMBNE-UHFFFAOYSA-N	359.514	2.258	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@@H]2CCC(=O)N2)n1CC(F)(F)F	1314753426	PFJQJBMWLJYYFO-NSHDSACASA-N	369.347	2.134	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCCN(CC(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2124505598	NEQJNAPSJFTOHC-ZIAGYGMSSA-N	366.466	2.277	10	10	FECE	
CC(C)(O)CN(Cc1ccccc1)C(=O)C(=O)N1Cc2cccc(O)c2C1	1332011208	FWCJVDPXWJYUKG-UHFFFAOYSA-N	368.433	2.034	10	10	FECE	
CS(=O)(=O)c1ccccc1C(=O)NCc1ccc2cccnc2c1O	1299721323	GUCQFNYQTJXTOD-UHFFFAOYSA-N	356.403	2.274	10	10	FECE	
CCOC(=O)[C@H](c1cccnc1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1	1471821010	SOLKUBIYCGPAMQ-CNRGFGOASA-N	356.378	2.269	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@@H]4C[C@@H](C)CN4C3)CC2)cc1	1631277234	MSPKXMPQOQCJDK-ZHALLVOQSA-N	357.498	2.464	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)c3cnc4[nH]cnc4c3)CC2)cc1	1630992402	NPPDWLCRHFSKHT-UHFFFAOYSA-N	351.410	2.319	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)N3CC(N[C@H]4CCOC4)C3)ccc21	1639364757	GLSIJHUQNXKFSO-KRWDZBQOSA-N	371.481	2.107	10	10	FECE	
CC(=O)c1ccc2c(c1)CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)C2	1570279742	RTTRHGNDFAXQKC-UHFFFAOYSA-N	374.418	2.122	10	10	FECE	
CO[C@@H](C(=O)NCc1cccc(C)c1O)C1CN(C(=O)OC(C)(C)C)C1	2139760948	DNWSLINXUROPOF-MRXNPFEDSA-N	364.442	2.199	10	10	FECE	
Fc1cc(CN2CCC(Oc3cnccn3)CC2)ccc1N1CCOCC1	19658387	SFFGBRNEMZWSDH-UHFFFAOYSA-N	372.444	2.496	10	10	FECE	
CCOc1ccc(/C=C2/SC(=S)N([C@H](C(=O)O)[C@@H](C)O)C2=O)cc1	1858592251	KNLLQGNCXQHKRS-SKUMXWNJSA-N	367.448	2.121	10	10	FECE	
C[C@@H](CNCc1ccc(O)cc1O)N1CCN(C(=O)OC(C)(C)C)CC1	1877257054	WYOOIOSXZVHVFJ-AWEZNQCLSA-N	365.474	2.129	10	10	FECE	
C[C@H](N[C@@H]1[C@H](NC(=O)OC(C)(C)C)[C@H]2CCO[C@H]21)c1cc(O)ccc1O	311299043	IAHURSOBSUXLDD-SPYBKHFWSA-N	364.442	2.429	10	10	FECE	
COc1cc(Cl)cc(CNCc2nnc(Br)n2C)c1O	2178006699	PTRVZFDEPOODDN-UHFFFAOYSA-N	361.627	2.235	10	10	FECE	
CN(Cc1nc(NC(=O)CCc2ccc(N)cc2)n[nH]1)C(=O)OC(C)(C)C	2185309229	PLZOLDLKIIHQFP-UHFFFAOYSA-N	374.445	2.325	10	10	FECE	
CN1CCc2cc([C@H](CN)N3C[C@@H]4C[C@@]4(NC(=O)OC(C)(C)C)C3)ccc21	2194828527	BHWFQFVUJDVPHN-DJPFJPOOSA-N	372.513	2.278	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2060639209	FPTITGXXNUPALY-QWHCGFSZSA-N	353.423	2.171	10	10	FECE	
C[C@H](NC(=O)[C@H]1OCC[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O	2072475976	INKJMJHIJOXECU-WHOFXGATSA-N	350.415	2.252	10	10	FECE	
C[C@@H](NC[C@@H]1CN(C)CCN1C(=O)OC(C)(C)C)c1cc(O)ccc1O	2098264519	YTIIVRGZUAJCCL-ZIAGYGMSSA-N	365.474	2.300	10	10	FECE	
C[C@@H]1COC[C@H](C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])N1C(=O)OC(C)(C)C	2218736884	CEPBDWTVNYCBCK-FDYHWXHSSA-N	353.423	2.358	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@]12CCO[C@H]1CN(C(=O)OC(C)(C)C)C2	2264329053	UTQIEHHZRPXIKG-LRDDRELGSA-N	353.423	2.171	10	10	FECE	
C[C@H](C(=O)O)N1C(=O)C(=C2C(=O)Nc3ccc(Cl)cc32)SC1=S	2293228367	ONARRIPYRFUDRI-RXMQYKEDSA-N	368.823	2.337	10	10	FECE	
CCOCCCN1CC[C@@H](NC(=O)C=Cc2ccc(O)c(O)c2)[C@H](C)C1	2307987322	SHUKSGZBGYLOLR-NVXWUHKLSA-N	362.470	2.364	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@H]1C[C@@](CNC(=O)OC(C)(C)C)(OC)C1	2315987386	RXDAVENJEVRJNY-DRQUAOQDSA-N	355.439	2.465	10	10	FECE	
C[C@@H](NC[C@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1c(O)cccc1O	2330273848	IEVWGLCOQAULBG-BRXULGCHSA-N	366.458	2.413	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12C[C@H](C1)[C@@H](C(=O)N1CC[C@@H](N=[N+]=[N-])C1)CO2	2342995652	LFBIKJNIGACIOC-FJZAXULXSA-N	365.434	2.218	10	10	FECE	
Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(O)c1O	177659357	HIAPOSCTEQFBRV-UHFFFAOYSA-N	357.366	2.277	10	10	FECE	
CN(Cc1ccccc1[N+](=O)[O-])C(=O)CN(C)c1ccc2c(c1)OCO2	178882265	WTMSPMQDGDTCML-UHFFFAOYSA-N	357.366	2.418	10	10	FECE	
COC(=O)C1=C(C)NC(=O)/C1=C/c1cc2c(cc1Br)OCO2	33323281	CGQKYYCPAIUEQG-YCRREMRBSA-N	366.167	2.138	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N3CCCN(C)C(=O)C3)cc2)CC1	188080329	RYYJQLPWPQPWLN-UHFFFAOYSA-N	358.486	2.297	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1c(=O)[nH]c2ccccc21	78892773	XDNAKFDXAPFPHO-UHFFFAOYSA-N	352.438	2.444	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CCN(c3cccc(O)c3)CC2)c1O	278194723	IGYLAZQUPLZQEM-UHFFFAOYSA-N	359.382	2.337	10	10	FECE	
COc1cc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)ccc1O	370459107	CVRNVGRULZTVCG-UHFFFAOYSA-N	362.407	2.476	10	10	FECE	
C[C@H](NC(=O)C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C)c1ccc(N(C)C)cc1	807363910	VVBYZCKRNCNOBW-NMACRGETSA-N	372.513	2.061	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CN(c3cc4c(cc3N)NC(=O)CC4)C[C@@H]2C1	2163166180	AVHISNJNMDZCJO-OKILXGFUSA-N	372.469	2.457	10	10	FECE	
CCOC(=O)NCCCC(=O)NCc1cc(Br)ccc1O	804737354	POLOJVUCBFGTDU-UHFFFAOYSA-N	359.220	2.297	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)N[C@@H]3CC[C@@H]3C)CC2)cc1	805864430	KFFZEVVWEXMOLF-QFBILLFUSA-N	360.502	2.305	10	10	FECE	
CN(Cc1ccccc1)C1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1	804812021	IFZSXMOPMQXDKE-UHFFFAOYSA-N	368.393	2.246	10	10	FECE	
O=C1COC[C@H](C[C@H]2CN(C(=O)c3cc(O)cs3)c3ccccc32)N1	807800592	JIEHVODBJPIVTK-RYUDHWBXSA-N	358.419	2.103	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)c1	818360391	MGIJWZULRFXUNA-UAXWRAGISA-N	362.426	2.449	10	10	FECE	
O=C(O)/C=C/c1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)o1	911229216	XDQWIFHLFXDYDY-ZZXKWVIFSA-N	374.368	2.283	10	10	FECE	
COCC1(CNC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1	848932698	BJYSNSHQUDIHDI-UHFFFAOYSA-N	373.497	2.082	10	10	FECE	
C[C@@H]1[C@@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C[C@H]2CC[C@H]1N2	925485376	MIRCUPJSMXJRHE-BEUFEYIVSA-N	356.514	2.007	10	10	FECE	
Cc1cnc(C)c(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)c1	845853248	NEIBHZVPMWMCMI-UHFFFAOYSA-N	352.438	2.336	10	10	FECE	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccccc3CCN)c2)CC1	846682670	SMLLHJWVMCVRIR-UHFFFAOYSA-N	366.465	2.109	10	10	FECE	
O=c1c2ccccc2nc(O)n1Cc1ccc(N2CCC(O)CC2)cc1	853000884	SBMSQMRQFHBXOK-UHFFFAOYSA-N	351.406	2.112	10	10	FECE	
C[C@@H]1O[C@H](C)[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@@H]1C	858854741	CSULZEMFMAUFIC-GJRWTSMGSA-N	361.486	2.259	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCCc3ccc(N)cc3)C2)cc1	851663425	YPERJHYELIYGSH-QGZVFWFLSA-N	354.454	2.398	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3ccccc3F)C2)cc1	850537717	XOTBYHPLDRCGAC-CYBMUJFWSA-N	357.385	2.168	10	10	FECE	
C[C@H](N[C@H](CO)c1ccnn1C)c1cc(Br)c(F)cc1O	858434805	PZVDPIIYRDDCCR-QPUJVOFHSA-N	358.211	2.412	10	10	FECE	
CC[C@@H](N[C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(F)cc1O	858490027	RZRXLIXYROJCKP-DZGCQCFKSA-N	356.405	2.289	10	10	FECE	
CC[C@@H](NC[C@]1(CO)COCC2(CCC2)N1C)c1ccc(F)cc1O	858466421	BCCYOMJVUBFKGR-APWZRJJASA-N	352.450	2.188	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@]4(CCCOC4)C3)C2)cc1	852450102	YTJYOYCXIUHOIU-OXQOHEQNSA-N	359.470	2.486	10	10	FECE	
CCO[C@H](C(=O)N1CCCN(c2ccc(OC)cc2)CC1)[C@@H]1CCOC1	864950260	WETMPBWQSSKVAE-APWZRJJASA-N	362.470	2.176	10	10	FECE	
C[C@@H]1CCCN(S(=O)(=O)NCc2cccc(Br)c2O)C1	766200475	LQUKHGUVZGRLLY-SNVBAGLBSA-N	363.277	2.221	10	10	FECE	
NC1(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)CCOCC1	861670331	MPKPWRHEZYSGLI-UHFFFAOYSA-N	359.426	2.205	10	10	FECE	
Nc1ccc(CCNC(=O)C(=O)N[C@H]2[C@@H]3c4ccc(Cl)cc4C[C@H]32)cc1	1118866294	DZFUZVRQGLCRRO-KZNAEPCWSA-N	369.852	2.035	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)NC[C@H]1CCCO1	768272581	SRWMASMAJVHLHJ-HXUWFJFHSA-N	372.513	2.197	10	10	FECE	
Cc1cc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[nH]2)c(C)n1-c1ccccn1	773385134	FMLTWJILDUJYLU-OAHLLOKOSA-N	365.441	2.008	10	10	FECE	
COC(=O)[C@@H](C[C@H]1CCCO1)NCc1ccc(OC)c(Cn2cccn2)c1	895864903	PDWWLTDRMRXNFU-QZTJIDSGSA-N	373.453	2.140	10	10	FECE	
COc1ccc(CNC(=O)NCC[C@@H]2COc3ccccc3O2)c(O)c1	793001502	RUDPOPHLCLQEGU-OAHLLOKOSA-N	358.394	2.430	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)NCc3nc(C(N)=O)co3)c2C)c1	1146957145	JWXXMRIYFHIPGJ-UHFFFAOYSA-N	352.394	2.419	10	10	FECE	
CO[C@H]1C[C@H](C(=O)NCC2(CN=[N+]=[N-])CC2)CN(C(=O)OC(C)(C)C)C1	2124532696	LPUGKWSHFMJMKO-STQMWFEESA-N	367.450	2.465	10	10	FECE	
C[C@@H]1[C@@H](C)N(C(=O)c2cc(O)c(O)c(O)c2)CCN1C(=O)OC(C)(C)C	2132405360	YVDRVIMNYFWDNO-GHMZBOCLSA-N	366.414	2.273	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)NC1CC2(C1)CC2(F)F	1347515784	FYCUIWDBQAACBE-UHFFFAOYSA-N	361.439	2.046	10	10	FECE	
CC(=O)N[C@H]1CCCN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)C1	1508322225	ZKRXYZQWPCRSMZ-SFHVURJKSA-N	370.501	2.114	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)Cc3ncccc3OC)CC2)cc1	1466208454	KDHUVIPJXIHYPO-UHFFFAOYSA-N	355.438	2.380	10	10	FECE	
CN(C)C1(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCCC1	1618647610	CUCNQRLZCWOFNI-UHFFFAOYSA-N	363.477	2.277	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccnc2[nH]c(O)nc12	1626723030	QLHNJUTWYJJYHZ-GFCCVEGCSA-N	353.426	2.399	10	10	FECE	
COc1ccc(CNCC[C@H](C)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1C	1715663328	FHVJUJONPLHXAR-HEHWYMARSA-N	358.482	2.411	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNCc2cc(F)ccc2O)C[C@@H]1O	2052655384	CBLRYPFUCCMWBE-XFJVYGCCSA-N	354.422	2.285	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1ccc(O)c(O)c1	2054397742	LNACTZOLAVEMAI-AAEUAGOBSA-N	350.415	2.331	10	10	FECE	
CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1	2054400692	HNLOOOWTXXSZQK-GFCCVEGCSA-N	350.415	2.475	10	10	FECE	
C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2060639948	NXGREMBONKJOPP-UPJWGTAASA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2073943301	KRKGLQMMDBWFKU-FRRDWIJNSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)Nc2ccc(N)cc2)C1	2106693769	RJSNQLMCXAQMBL-SFHVURJKSA-N	364.446	2.152	10	10	FECE	
C[C@H]1OC2(C(=O)NCc3ccccc3O)CC1(NC(=O)OC(C)(C)C)C2	2266019024	SXBJRHIRHNGADU-PIHIASKNSA-N	362.426	2.223	10	10	FECE	
C[C@H](N[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)c1c(O)cccc1O	2121676446	YUHXTOOGVHDTCV-VLXAULBPSA-N	364.442	2.383	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCCc3cc(N)ccc32)=C[C@@H]1O	2200986482	BNZJJKHFAGZVGA-WBVHZDCISA-N	373.453	2.132	10	10	FECE	
O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)C1CC2(C1)OCCO2	2263514190	YBIJBUDTTUSXKF-UHFFFAOYSA-N	354.211	2.346	10	10	FECE	
CN(C)c1ccc([C@H](O)C2CN(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1	2269075284	VMAICPRIAOPOIZ-SFHVURJKSA-N	361.486	2.337	10	10	FECE	
N=C1C(=Cc2ccc([N+](=O)[O-])o2)C(=O)N=C2SC(N3CCCCC3)=NN12	2297352577	CJAOVFGZRBVWNM-UHFFFAOYSA-N	374.382	2.250	10	10	FECE	
COC[C@]1(C(=O)NCCCCN=[N+]=[N-])C=CCN1C(=O)OC(C)(C)C	2314775418	KJXKKYKPVHNQKJ-INIZCTEOSA-N	353.423	2.385	10	10	FECE	
CC[C@H](CS(C)(=O)=O)NCc1ccc(C)c(Br)c1O	2352680374	NVDHWIPFVGGSPP-LLVKDONJSA-N	350.278	2.376	10	10	FECE	
CCCOc1ccc(CN2CCN(CC(=O)N(CC)CC)CC2)c(O)c1	121927849	CAAMXTZCMCOFRC-UHFFFAOYSA-N	363.502	2.167	10	10	FECE	
COc1cc(O)c(CN(C)[C@@H]2CCCN(c3cccnn3)C2)cc1OC	180079078	ASBGOOCRYSCVQV-OAHLLOKOSA-N	358.442	2.300	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NCc1cccc(F)c1O	381106591	SHNGGLDTGXQQOT-AEIGPULVSA-N	352.406	2.302	10	10	FECE	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@H]2CSC(=O)N2)cc1	266761443	PVNBEPKITMAPHS-HZPDHXFCSA-N	363.483	2.085	10	10	FECE	
CCOc1ccc(CNC(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1F	283507181	NVORJOFHOACDFN-UHFFFAOYSA-N	373.428	2.223	10	10	FECE	
COc1ccc(N2C[C@H](N)[C@H](C(F)F)C2)c(OC)c1Br	2162637888	XZMIVLFGQLZZLV-SFYZADRCSA-N	351.191	2.495	10	10	FECE	
COc1ccc(N2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC2)cc1	804321561	ZNXMYBALOXJUGK-UHFFFAOYSA-N	358.398	2.005	10	10	FECE	
O=[N+]([O-])c1cc(Br)cc([C@H](C2CC2)N2CCNCC2)c1O	575267867	RUISTQKGKUREIP-ZDUSSCGKSA-N	356.220	2.419	10	10	FECE	
CC(C)[C@H](NC(=O)c1ccccn1)C(=O)NCc1ccc(N(C)C)cc1	727297994	OYMQNRAKEVSYJM-SFHVURJKSA-N	354.454	2.218	10	10	FECE	
COc1cc(O)c(CN[C@H](C2CCOCC2)C2(CO)CCC2)cc1OC	822525781	MCLYZUSGZNCXNN-LJQANCHMSA-N	365.470	2.457	10	10	FECE	
CCS(=O)(=O)C[C@H](C)N(C)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-]	733192587	IAYANHCWVPFCIO-UPZNUWHASA-N	370.427	2.040	10	10	FECE	
CCN(CC)CC(=O)N1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1	835024968	BFFWPKRCNOKCSO-FPLPWBNLSA-N	358.530	2.252	10	10	FECE	
O=C(CC[C@@H]1C[C@H](C(=O)O)CO1)NCc1cc(Br)ccc1O	911556951	XMKUYEGYRSBNQA-CMPLNLGQSA-N	372.215	2.041	10	10	FECE	
O=C1N[C@@H](C2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)CC2)CO1	919917069	BVKHMZJMFPRIQM-GOSISDBHSA-N	370.453	2.093	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC[C@@H]([C@H]2CCCN2)C1	844220782	BBZNYNBLUXVNER-UYAOXDASSA-N	358.530	2.175	10	10	FECE	
CCOC(=O)[C@@H]1Cc2cccc(F)c2N(C(=O)/C=C/c2cnccn2)C1	844640795	GUJPTGSPTGPANZ-PSKZRQQASA-N	355.369	2.398	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC2(C1)CC2(F)F	847291793	XLDFHKSPXYUOTK-UHFFFAOYSA-N	355.360	2.213	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H]3CCCN4CCCC[C@@H]34)cc2)C1	924729026	MBSZGFHWXRSUDQ-NRSPTQNISA-N	370.541	2.495	10	10	FECE	
COc1ccccc1[C@@H](NCc1ccc(N2CCOCC2)cc1)C(=O)O	756369352	YKFVTQCXTMLDHD-LJQANCHMSA-N	356.422	2.447	10	10	FECE	
Fc1cc(CNCc2cn(C3CCC3)nn2)cc(F)c1N1CCOCC1	850322942	LQCBPTLEYICYOM-UHFFFAOYSA-N	363.412	2.408	10	10	FECE	
COC(=O)C(C)(C)CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	852323504	YYBCBKSOVWPRGD-CQSZACIVSA-N	363.458	2.162	10	10	FECE	
COC(=O)/C=C\c1ccc(S(=O)(=O)N(C)Cc2ccccc2O)cc1	751238926	FXVJFDCAXZLKTP-XFXZXTDPSA-N	361.419	2.399	10	10	FECE	
C[C@H](NC[C@]1(CO)COCCN1Cc1ccccc1)c1ccccc1O	850554680	JYVATEBUFWSDKU-UWJYYQICSA-N	356.466	2.306	10	10	FECE	
C[C@@H](NC(=O)NCc1cccc(Br)c1O)c1nccn1C	852689139	TUOVDEWEABNKSK-SECBINFHSA-N	353.220	2.449	10	10	FECE	
COC1CC(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1	860534482	DIVZDDSHVBSKJU-UHFFFAOYSA-N	357.498	2.260	10	10	FECE	
COc1ccc(CNC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)c(O)c1	797638055	GZQJWZUILXRSBX-UHFFFAOYSA-N	364.423	2.434	10	10	FECE	
CCCOc1ccnc(CC(=O)N2CCOc3cc(N(C)C)ccc32)n1	1147888141	KBUMIOGOGNLRHQ-UHFFFAOYSA-N	356.426	2.300	10	10	FECE	
COC(=O)CN(CC[S@@](=O)C(F)(F)F)Cc1cc(Cl)ccc1O	1307539585	PCCPRZONVBBIPH-HSZRJFAPSA-N	373.780	2.289	10	10	FECE	
COc1ccc(CN[C@@H](CC2(OC)CCC2)C(=O)O)cc1Cn1cccn1	1329631138	BABHXVGBRVKSEM-KRWDZBQOSA-N	373.453	2.442	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC[C@H](O)CC3CCCC3)cc2)CC1	1336820035	RAEFJLQUMNEWRC-OAQYLSRUSA-N	359.514	2.386	10	10	FECE	
C[C@@H](N=c1nc([C@@H](C)NC(=O)OC(C)(C)C)[nH][nH]1)c1cc(O)ccc1O	2130119290	OXVJBOFZMSNUGD-NXEZZACHSA-N	363.418	2.397	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)NCCn3ccc(O)nc3=O)c2C)c1	1348155526	PVTNSSKBNKOJLX-UHFFFAOYSA-N	366.421	2.095	10	10	FECE	
O=C(NCc1cccc(O)c1O)[C@@H]1CCCCN1C(=O)c1ccccc1	1347530893	LGRNMNGNIUWXCN-INIZCTEOSA-N	354.406	2.409	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)N3CC[C@H]3[C@H]3CCCOC3)cc2)CC1	1346122783	AOFNAOGIQUZIKI-ICSRJNTNSA-N	372.513	2.149	10	10	FECE	
Nc1ccc(OC[C@@H](O)CN(Cc2ccccc2)[C@H](CO)C2CC2)cc1	1915199359	WSNVSJRLAYDUOH-PZJWPPBQSA-N	356.466	2.282	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@@H](C(C)C)C3CC3)CC2)cc1	1350726799	QGHZZSCRHPXJGY-IBGZPJMESA-N	373.497	2.331	10	10	FECE	
Cn1ccnc1[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCO1	1299249041	ZLNCEFQCTCJVEF-ZIAGYGMSSA-N	356.386	2.233	10	10	FECE	
C[C@@H](NC(=O)C1(CC(=O)N2CCOCC2)CCCC1)c1ccccc1O	1454797913	QKRXWHQQLMJFEL-OAHLLOKOSA-N	360.454	2.379	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1	1463844946	IXSDLUSVGACJSL-AWEZNQCLSA-N	370.405	2.188	10	10	FECE	
COC(=O)c1ccc(NC(=O)/C(=C/C2=S=CC=C2)NC(C)=O)c(C)c1	1627346866	QYZPANIQZNAUKP-YBEGLDIGSA-N	358.419	2.018	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](n2cncn2)C(F)(F)F)c1	1637637982	BZXFJNTXUAKLCR-RNCFNFMXSA-N	373.335	2.156	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)c2n[nH]c3c2CCCC3)N(C)C)cc1	1637004586	HUGLXRVLDZDUGX-SFHVURJKSA-N	355.486	2.387	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1cncc(I)c1	1643103618	CDDZCTSYZFJPHS-UHFFFAOYSA-N	370.146	2.027	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)N[C@H](CO)Cc3cnc[nH]3)c2C)c1	1643133012	VXXANJULLSUIIH-KRWDZBQOSA-N	352.438	2.459	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCCNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1	1742475485	PRRHUZPNRYUMCV-DVOMOZLQSA-N	369.425	2.297	10	10	FECE	
CCN(C)C(=O)Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1O	1764692691	CGDOFZVUFATALF-UHFFFAOYSA-N	357.458	2.051	10	10	FECE	
Cc1cc(C(=O)N[C@H]2CCC(=O)NC2=O)c(C)n1-c1cccc(Cl)c1	153255785	XPDRHNFCVPKWEE-HNNXBMFYSA-N	359.813	2.283	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](C(=O)NCCCCN=[N+]=[N-])[C@H]1CCOC1	1964945543	ZGYYUJDZKHXWBE-STQMWFEESA-N	355.439	2.371	10	10	FECE	
C[C@@H](N)c1ccc(N2C[C@@H]3CCS(=O)(=O)[C@H]3C2)c(Br)c1	2145072518	KJXCNOGDGYVDJW-PUYPPJJSSA-N	359.289	2.092	10	10	FECE	
O=S1(=O)C[C@H]2C[C@@H](CN(Cc3c(O)cccc3Br)C2)C1	1972376779	XTZJCWUOHRLRLO-QWRGUYRKSA-N	360.273	2.021	10	10	FECE	
O=C(N[C@H]1CC[C@H]1NC(=O)c1ccc(O)c(O)c1)OCc1ccccc1	1982317810	WBEMNWOPLWXKEM-CABCVRRESA-N	356.378	2.285	10	10	FECE	
C[C@@H](N)c1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Br	2151274475	LLPDLZGQDNLPLH-RULNRJAQSA-N	359.289	2.092	10	10	FECE	
O=C(c1ccc(O)c(O)c1)N1CC[C@@](COCc2ccccc2)(C(=O)O)C1	2159917900	MSJBKOUFUVQSPR-HXUWFJFHSA-N	371.389	2.232	10	10	FECE	
CC(C)(C)OC(=O)N1CC(OCC(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)C1	2060613376	QJTPKNVIAKJQPL-LBPRGKRZSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2060639372	HHZXOOUVGXHYMD-NWDGAFQWSA-N	355.439	2.200	10	10	FECE	
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CN=[N+]=[N-])CC1	2060619866	RYVVRNKDVXYVDE-YPMHNXCESA-N	355.439	2.464	10	10	FECE	
COC(=O)c1cccc(N)c1N[C@@H]1COCC[C@H]1NC(=O)OC(C)(C)C	2108839425	VKVRVHHGSNUJNS-ZIAGYGMSSA-N	365.430	2.150	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@H]4[C@@H](O)C[C@H]4C3)ccc(N)c2C1	2095036009	RBZUEZPWXNISRP-WRSAYESZSA-N	359.470	2.379	10	10	FECE	
CC(C)(C)OC(=O)NCCCC[C@@H](NCc1cccc(O)c1O)C(=O)O	2274059301	BDCHMKNBCULXIO-CYBMUJFWSA-N	368.430	2.336	10	10	FECE	
CN1CCc2cc(N3CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CO)C3)ccc21	2226801337	BZMFGKICLHGLJC-WBVHZDCISA-N	361.486	2.391	10	10	FECE	
CCN1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21	2293180097	AHIQROHXIMRXMI-UHFFFAOYSA-N	362.432	2.099	10	10	FECE	
CC[C@@H](O)CN1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1	106394665	WGTWPTREIGJRTM-QGZVFWFLSA-N	356.470	2.018	10	10	FECE	
O=S(=O)(c1ccccc1F)N1CCN(Cc2ccccc2O)CC1	179557814	URJREKIKSLVRFX-UHFFFAOYSA-N	350.415	2.038	10	10	FECE	
COc1cc(/C=C2\C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc(OC)c1O	33339255	OOSCOQISVSHIKY-OVCLIPMQSA-N	368.389	2.488	10	10	FECE	
COC(=O)CCCCNC(=O)NCc1cccc(Br)c1O	277487553	QFLAQWBSUMUOKL-UHFFFAOYSA-N	359.220	2.297	10	10	FECE	
Cc1ccc(CNC(=O)Cc2csc(=N)[nH]2)c(O)c1Br	2381135513	RKSWHXVPWHBQGW-UHFFFAOYSA-N	356.245	2.191	10	10	FECE	
Nc1c(C(=O)OCCCCCO)ccc2c1C(=O)c1ccccc1C2=O	803226041	YNNPDDVLLJMSBL-UHFFFAOYSA-N	353.374	2.364	10	10	FECE	
Cc1noc(CCCC(=O)NCc2cc(Br)ccc2O)n1	804739404	YQAWYRUUEQAXAX-UHFFFAOYSA-N	354.204	2.485	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)c1nnc([C@H]2CCCO2)n1C	296109905	ZLRLEIPFHRCGJM-QGZVFWFLSA-N	357.458	2.140	10	10	FECE	
COc1ccc(N2CCN(CCN[C@@H]3CCC[C@@H]3[C@H]3CCCN3)CC2)cc1	817893496	FYVYJCIMUKUZGK-BHDDXSALSA-N	372.557	2.328	10	10	FECE	
NS(=O)(=O)CCCCCCC(=O)NCc1ccc(N2CCCC2)cc1	816866796	XOSSVUHQWPJZRF-UHFFFAOYSA-N	367.515	2.142	10	10	FECE	
COc1ccc(O)c([C@H](C)NCC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)c1	588382540	INRQYMBFLZCCJE-STQMWFEESA-N	358.442	2.280	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCOc3ccccc3[C@H]2C(=O)O)cc1	908759031	WJKFLOASYRFZQQ-SFHVURJKSA-N	369.421	2.483	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C(=O)OC)C2)cc1F	731404322	JPQKXDNWQLYTGS-AWEZNQCLSA-N	351.422	2.376	10	10	FECE	
C[C@H](C(=O)N(C)Cc1ccccc1O)[C@H](O)CN(C)C(=O)OC(C)(C)C	901054313	WDGDDZPGBYTAIR-XJKSGUPXSA-N	366.458	2.215	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)c3cccnc3Cl)C2)cc1	849416345	PJQFFGQNINWOFG-LBPRGKRZSA-N	367.858	2.301	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CN1Cc2ccccc2OC1=O	843851534	NLJXAOXAWHZGHG-LBPRGKRZSA-N	356.378	2.160	10	10	FECE	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)c1	848557139	FMUHWYCBUVZZNW-BYNSBNAKSA-N	350.459	2.327	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1	840318414	IPECNONNVQSDMA-GFIVTLFCSA-N	372.513	2.301	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)c3ccccc3OC)C2)cc1	849416014	JMVQFWYKCLYTSP-CQSZACIVSA-N	362.451	2.261	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CC[C@](F)(C(=O)OC)C2)c1O	751939673	TTYBGLNQTSJORK-LJQANCHMSA-N	361.369	2.419	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@H](C(F)(F)F)C3)C2)cc1	854300601	WPZJBCXZIDYMCF-WFASDCNBSA-N	373.375	2.247	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CCN(C2CCC2)C1=O	858542821	BZNXMTNFXHOAGZ-KXBFYZLASA-N	372.513	2.445	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3c[nH]cc3-c3cnn(C)c3)C2)cc1	855227856	QJSWBUQENAPEGY-OAHLLOKOSA-N	365.437	2.433	10	10	FECE	
CCN(CC)c1ccc(CN(C)Cc2coc(S(N)(=O)=O)c2)cc1	851717584	YZHVBLFFBYNUOT-UHFFFAOYSA-N	351.472	2.405	10	10	FECE	
COc1ccc(N2CCC(NS(=O)(=O)CCOC(C)(C)C)CC2)cc1	866710044	NPXLCIUHTXITTI-UHFFFAOYSA-N	370.515	2.399	10	10	FECE	
Cc1cc(=O)n(C)cc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	930275112	COOLKTRIUNNIRG-GOSISDBHSA-N	371.485	2.184	10	10	FECE	
CCO[C@H](C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CCOC1	868956140	LCPPKCSFOOPXNU-BXWFABGCSA-N	362.470	2.079	10	10	FECE	
COc1ccc(N2CCCN(S(=O)(=O)c3ccccc3N)CC2)cc1	767725383	KVDRKMSCTIVOLX-UHFFFAOYSA-N	361.467	2.178	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N[C@@H]3[C@@H]4C[C@H]5[C@H](CO[C@H]53)C4)CC2)cc1	868902117	BTNWJJCRJGTCPO-UVPINQTDSA-N	371.481	2.387	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)CCCCC(N)=O)cc2F)C[C@@H](C)O1	779607273	PGTIZHUPOKKBPC-ZIAGYGMSSA-N	365.449	2.101	10	10	FECE	
COC(=O)N1CCC[C@@H]([C@H](C)NCc2cc(OC)c(OC)cc2O)C1	775998620	GZIGKLJQFNCUKG-QWHCGFSZSA-N	352.431	2.366	10	10	FECE	
C[C@H](C(=O)NCc1cccc(O)c1O)C1CN(C(=O)OC(C)(C)C)C1	1123888697	JQJXTZLLJGZBFV-NSHDSACASA-N	350.415	2.217	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(O)c(O)c1	1138004609	QHWQLUHKFSIQHK-LBPRGKRZSA-N	350.415	2.108	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@]2(O)[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)c1	786958642	HYKUFFOUOMERKQ-QNILUYIRSA-N	369.461	2.338	10	10	FECE	
CNCc1ccc(N(C)CC(C)(C)S(C)(=O)=O)cc1Br	713966419	PXZUBYJTVSETTE-UHFFFAOYSA-N	363.321	2.428	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cnn2ccccc12	1142687654	QUAHIPYOPZECIH-UHFFFAOYSA-N	353.378	2.245	10	10	FECE	
CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccc(N=NC(N)=O)cc1	1151550682	IFMJOGJYLDBPRZ-OAGGEKHMSA-N	359.430	2.173	10	10	FECE	
CC(=O)N/C(=C/C1=S=CC=C1)C(=O)Nc1ccc(-c2nncs2)cc1	1156329482	DEAQQTYKBXWFHR-OQLLNIDSSA-N	370.459	2.441	10	10	FECE	
C[C@@H]1CCN(C(=O)c2cccc(O)c2O)[C@H](C)[C@@H]1NC(=O)C(F)(F)F	2118180845	KLPQGDBQUVMUPL-KBVBSXBZSA-N	360.332	2.015	10	10	FECE	
C[C@H](NC(=O)C(=O)NC[C@H]1CCCC(C)(C)O1)c1ccc(N(C)C)cc1	1332983487	XZGBSPFCCDDHLT-WMLDXEAASA-N	361.486	2.394	10	10	FECE	
CC(C)N(C)C[C@@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1251500635	IAVFQTNXZDRQLS-APWZRJJASA-N	363.550	2.383	10	10	FECE	
COc1ccc(CN[C@H]2CCO[C@](C)(C(=O)O)C2)cc1Cn1cccn1	1353962681	FJUGXBJPTAEIDK-LPHOPBHVSA-N	359.426	2.052	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1CCN1CCOC(C)(C)C1	1511780783	VZFWLAIHIQMDBC-UHFFFAOYSA-N	359.474	2.039	10	10	FECE	
Cc1nn(-c2ccccn2)c(C)c1CC(=O)NCc1ccc(O)c(O)c1	1445900400	JIXLIBIURLISFD-UHFFFAOYSA-N	352.394	2.154	10	10	FECE	
CCN(CC(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O)C1CC1	1446815166	JKMFQGVGJAJSAZ-UHFFFAOYSA-N	354.834	2.032	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CN(C(=O)c1cccc(O)c1O)C2	2136557198	YWGUNPRRMJIOML-BUXKBTBVSA-N	362.426	2.475	10	10	FECE	
Cc1ccc(C(=O)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1	1536523172	ALSFGOYAKTYPDF-UHFFFAOYSA-N	351.450	2.246	10	10	FECE	
Cn1cc(/C=C/C(=O)N2CCCn3ncc(NC(=O)OC(C)(C)C)c32)cn1	1462914593	UZTYIZLERWHEMI-VOTSOKGWSA-N	372.429	2.414	10	10	FECE	
CC(C)(C)C(=O)N1CCO[C@H](C(=O)NCCCSc2nccs2)C1	1616241107	JLFOEMVYBLYIPD-LBPRGKRZSA-N	371.528	2.015	10	10	FECE	
Cc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)c(O[C@H]2CCOC2)c1	1545727303	KYUIEOIMTBVCEG-INIZCTEOSA-N	357.406	2.433	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)N2CC(OCC(F)F)C2)N(C)C)cc1	1471546527	DMNCFHKYCNXBAN-INIZCTEOSA-N	370.444	2.031	10	10	FECE	
CO[C@](C)(CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1	1564823242	ZDMAGLKPSBSJEJ-UYAOXDASSA-N	362.518	2.470	10	10	FECE	
CCOCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H](F)COC	1728983958	XAOFEHFSNVNSSH-CQSZACIVSA-N	352.410	2.141	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCC2(C1)OCCO2	1751881207	KTUIHIFREDHGJO-OAHLLOKOSA-N	358.442	2.472	10	10	FECE	
CCCNCc1ccc(N2CCS(=O)(=O)CC2)cc1Br	233110550	WPMZEBOWUQNCTR-UHFFFAOYSA-N	361.305	2.184	10	10	FECE	
CNC(=O)CCCN(C)C(=O)c1cccc2c1C(=O)c1ccccc1C2=O	159335268	CUDFOQZMYWPPPJ-UHFFFAOYSA-N	364.401	2.060	10	10	FECE	
C[C@H]1N(C(=O)OC(C)(C)C)C[C@]1(O)[C@@H](N)c1ccc2c(c1)CCCN2C	1887683373	INDAFYLTVFWDGY-ASUYLVSUSA-N	361.486	2.439	10	10	FECE	
CC(C)(C)OC(=O)NCc1nc(=NCc2ccc(Cl)cc2O)[nH][nH]1	2011844696	ZVRVYGPIDRZIKV-UHFFFAOYSA-N	353.810	2.222	10	10	FECE	
C[C@@H](NC[C@H]1COCCN1C(=O)OC(C)(C)C)c1ccc(O)cc1O	310644474	HZGDPVBULVISQE-OLZOCXBDSA-N	352.431	2.384	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NCc1ccc(F)c(F)c1O	700733677	WOBCVRFCBWNDCL-YDEYXMKJSA-N	370.396	2.441	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CN(CCC(=O)Nc3ccc(N)cc3)C[C@@H]2C1	2163041985	ISWYWZKJKBPBPL-GASCZTMLSA-N	374.485	2.396	10	10	FECE	
CN[C@@H](C)c1ccc(N2CC[C@H](S(C)(=O)=O)C2)cc1Br	2179924453	CNFZNEDAQIJGRS-JQWIXIFHSA-N	361.305	2.353	10	10	FECE	
C[C@H]1C[C@H](NS(=O)(=O)Cc2ccc(N)cc2)CN1C(=O)OC(C)(C)C	2044236968	KIUUXYGBASSLFE-WFASDCNBSA-N	369.487	2.086	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N[C@@H](C)c1cc(O)ccc1O	2058678396	AZEBMDQUWSVBIV-HZUKXOBISA-N	352.431	2.383	10	10	FECE	
C[C@H]1COC[C@H](C(=O)NCc2ccccc2O)N1C(=O)OC(C)(C)C	2060139499	XSYYLZFNOJETGS-GXTWGEPZSA-N	350.415	2.033	10	10	FECE	
C[C@@](NC(=O)C(F)(F)F)(C(=O)N1CCC[C@H](N=[N+]=[N-])C1)C(F)(F)F	2060639183	FJYBPLWKBPYHMF-IMTBSYHQSA-N	361.246	2.287	10	10	FECE	
C[C@@H](C(=O)N(C)CCCN=[N+]=[N-])N1CCN(C(=O)OC(C)(C)C)CC1	2060618176	WICJVOWUQTZWBT-ZDUSSCGKSA-N	354.455	2.086	10	10	FECE	
C[C@H](CNC(=O)c1cc(O)c(O)c(O)c1)CN(C)C(=O)OC(C)(C)C	2068619421	YUBLVYKBBRXIOK-SNVBAGLBSA-N	354.403	2.036	10	10	FECE	
COC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccccc1O	2072476233	KHVDFCHWISLHOK-KZULUSFZSA-N	352.431	2.499	10	10	FECE	
Nc1ccc(NC(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)cc1	2097696027	KUZNABYLKUMCIZ-OALUTQOASA-N	352.438	2.386	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](NCc2ccc(O)c(O)c2)C[C@]12CCOC2	2098975082	FTQGHCWLSMKIKI-LIRRHRJNSA-N	364.442	2.356	10	10	FECE	
O=C(O)[C@@H]1C[C@H](O)CCN1Cc1cc(Cl)cc(Br)c1O	2201090315	JNAOIHAUIWEQGB-KOLCDFICSA-N	364.623	2.218	10	10	FECE	
CN(Cc1cc(N)ccc1O)C[C@]1(O)CCCN(Cc2ccccc2)C1	2270910866	WTORUORGYUMOLM-OAQYLSRUSA-N	355.482	2.433	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H](O)CN1C(=O)OC(C)(C)C	2264614723	UQIHSYHZDITBET-CABCVRRESA-N	364.442	2.111	10	10	FECE	
Cc1cc(C=CC(=O)N=c2ccn(CC(=O)O)[nH]2)c(C)n1-c1ccccc1	2301054241	RICULIATWLMCBQ-UHFFFAOYSA-N	364.405	2.449	10	10	FECE	
CCCC[C@@H](NC(=O)C=Cc1ccc(N2CCOCC2)cc1)C(=O)OC	2308903339	ZOUQSSOCVLJILE-GOSISDBHSA-N	360.454	2.384	10	10	FECE	
COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C=Cc1cc(C)n(-c2ccccc2)c1C	2309891030	RHBKBTYZHYAWSB-MOPGFXCFSA-N	368.433	2.242	10	10	FECE	
C[C@H](C(=O)N1CCc2cc(O)c(O)cc2C1)N(C)C(=O)OC(C)(C)C	2318655546	QTOUUTLMSDKWFD-LLVKDONJSA-N	350.415	2.238	10	10	FECE	
NC(=O)c1cccc(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)c1	108677923	LWCWSMYSJUQCQN-RMKNXTFCSA-N	351.406	2.274	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1cc(-c2ccccc2)nn1	183418613	NQCMQTZXNXYEEW-CYBMUJFWSA-N	352.394	2.104	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCN(CC(C)C)C(=O)C2)c([N+](=O)[O-])c1	189241768	XTMDDERAKRDSDM-FNORWQNLSA-N	361.398	2.086	10	10	FECE	
COc1ccc(N2CCN(C(=O)NC[C@H](C)CN3CCCC3)CC2)cc1	80049890	WKLZHFXCASHYCR-KRWDZBQOSA-N	360.502	2.259	10	10	FECE	
CCCN(CCC)c1ccc(CN2CCC3(CC2)NC(=O)NC3=O)cc1	272882721	YAGVOXDKIHXDHD-UHFFFAOYSA-N	358.486	2.487	10	10	FECE	
CC(=O)C(=O)COC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	808498814	WSSVFAPXZKKVSS-UHFFFAOYSA-N	362.260	2.117	10	10	FECE	
CN(C(=O)CN1C[C@@H]2CC[C@@]2(NC(=O)OC(C)(C)C)C1)c1ccc(N)cc1	2163039379	PBJDOXMUEOZWOA-VBKZILBWSA-N	374.485	2.221	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2ccc(CN3CCOCC3)cn2)cc1F	810265851	QIZYLTFXWKCTQF-UHFFFAOYSA-N	372.444	2.049	10	10	FECE	
COC(=O)c1ccnc(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)c1	819587737	PCHGZCZPPKXZHB-CQSZACIVSA-N	369.421	2.133	10	10	FECE	
O=C(CNC(=O)c1cccnc1)Nc1c(-c2ccccn2)nc2ccccn12	820005686	AHHGCVUTYWPNEV-UHFFFAOYSA-N	372.388	2.160	10	10	FECE	
O=[N+]([O-])c1cc(Cl)cc(CN2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)c1O	825202890	WKNKBZWRDCSZRN-WCQYABFASA-N	360.819	2.105	10	10	FECE	
CCc1cccc(CN2CCc3sc(S(N)(=O)=O)cc3C2)c1O	827775184	DEMWFTBSJHEVAF-UHFFFAOYSA-N	352.481	2.222	10	10	FECE	
CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC/C=C/c1ccc(N(C)C)cc1)C2	835054853	ZQEICCNATAWBTF-FBGCVXFKSA-N	370.541	2.439	10	10	FECE	
CC[C@@](C)(CO)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	847360715	CXARRXJODHOTOC-KSMMKXTCSA-N	352.450	2.464	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)NC[C@H]3C[C@@H](N(C)C)C3)C2)cc1	847386284	BMHFCXHCNYXYNF-NUJGCVRESA-N	360.502	2.161	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@H]4CN(C)C[C@H]43)C2)cc1	854296401	CGHJSDXXDLWPAM-FRQCXROJSA-N	358.486	2.010	10	10	FECE	
COCc1n[nH]c(CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)n1	850514954	SNHWXFSVUWPYSN-LBPRGKRZSA-N	365.865	2.292	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3COc4ccccc4O3)C2)cc1	855229775	QGBDDHLEOKRSHE-LIRRHRJNSA-N	354.406	2.230	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3cccc4c3COCC4)cc2)CC1	1119600744	MTLYRHPQXJAKGM-UHFFFAOYSA-N	365.477	2.441	10	10	FECE	
CC[C@@H](O)CN(Cc1ccccc1)C(=O)C(=O)N1Cc2cccc(O)c2C1	1118945592	CWZODNKPSOYWNA-QGZVFWFLSA-N	368.433	2.034	10	10	FECE	
CC(C)[C@H](C)CNC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1	789854663	JRXQPKVYOVIWMB-OAHLLOKOSA-N	363.527	2.264	10	10	FECE	
CN1CCN(CCNC(=O)c2cc3cc(O)c(O)cc3s2)CC1(C)C	897662650	BWQSYROHFAPUQC-UHFFFAOYSA-N	363.483	2.068	10	10	FECE	
C[C@H]1OCCN(Cc2cc(Cl)cc(Br)c2O)[C@@H]1C(=O)O	708076564	XBKUWHPBTNDFSM-HQJQHLMTSA-N	364.623	2.482	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1n[nH]c2c1CCC2	1137816012	AVYAVHGAAJPWFG-UHFFFAOYSA-N	363.801	2.073	10	10	FECE	
CC(C)C(=O)NC[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1	1143093290	PJQSJZGBGFLRAK-ZDUSSCGKSA-N	359.430	2.473	10	10	FECE	
CON(C)CCNC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	1144119616	LPHJHXABAKBOKA-UHFFFAOYSA-N	358.486	2.017	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)C(C)(F)F	1326502983	CXHNYIHYASMGHU-NSHDSACASA-N	359.369	2.370	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NCc1ccc2c(c1)CCN2C	2122554824	VHOMOGDFTBSKQH-FUHWJXTLSA-N	361.486	2.403	10	10	FECE	
COc1ccc(CNC[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cc1C	1321654179	IQSHMTKGLYNEMP-FHLIZLRMSA-N	356.470	2.135	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(C(=O)O)(C(=O)NCCCCN=[N+]=[N-])CC1	2124541265	QNCSEKBZPWKFCN-UHFFFAOYSA-N	369.422	2.295	10	10	FECE	
CO[C@H]1C[C@H](CNC(=O)C(=O)NCc2cc(C)n(-c3ccccc3)c2C)C1	1353794854	TUJSQNPPIIYNPO-RUCARUNLSA-N	369.465	2.252	10	10	FECE	
CCN[C@@H](c1ccccc1O)[C@@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	2136027336	JAZAADZNEZXSCM-ULQDDVLXSA-N	366.458	2.040	10	10	FECE	
CCOC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1	1519265643	JEERRBMVEKXOHJ-CQSZACIVSA-N	355.435	2.039	10	10	FECE	
O=C(c1c(F)ccc(O)c1O)N1C[C@@H]2Oc3c(F)ccc(F)c3O[C@@H]2C1	1457869095	FCRYONWOIYFLFS-TXEJJXNPSA-N	367.279	2.180	10	10	FECE	
COC[C@](O)(CCCNC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O	1920097994	LLURYCWZFATVRO-MAUKXSAKSA-N	354.447	2.074	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NCc2cccc(O)c2O)CC1	1921716526	SWWOTBMRUTZHKA-LSDHHAIUSA-N	366.458	2.195	10	10	FECE	
Cc1ccc(O)c(CNC(=O)c2c(CNC(=O)OC(C)(C)C)cnn2C)c1	1640800155	FWHHCNNBUTZKNO-UHFFFAOYSA-N	374.441	2.389	10	10	FECE	
C[C@@H](CNC(=O)NCc1c(O)cccc1F)CNC(=O)OC(C)(C)C	1679315494	LGIAOQJUSAYONO-NSHDSACASA-N	355.410	2.491	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H]2COCC[C@H]2NC(=O)OC(C)(C)C)c1O	2139757711	LDTGYQJWDBLOKH-HUUCEWRRSA-N	364.442	2.247	10	10	FECE	
CCSc1nnc(NC(=O)CN2C(=O)[C@H](CC)SC2=S)s1	11635694	BNOXJAGWSJKUBT-LURJTMIESA-N	362.527	2.228	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C[C@H](O)C1(C)C	1879106965	NBYWCUCMPWOETP-BWACUDIHSA-N	367.450	2.342	10	10	FECE	
CO[C@@H](c1cccc(O)c1O)[C@@H](NC(=O)OCc1ccccc1)C(=O)O	1952308717	OLFXJRLJGWRLEL-ZBFHGGJFSA-N	361.350	2.165	10	10	FECE	
CO[C@]1(C(=O)NCc2ccccc2O)CCN(C(=O)OC(C)(C)C)C1	1968614210	HGOMHKZCGIWXOK-GOSISDBHSA-N	350.415	2.034	10	10	FECE	
COc1cccc(CN[C@H]2COC[C@H]2CNC(=O)OC(C)(C)C)c1O	2036599858	QHLBFHHKDSKWPO-KGLIPLIRSA-N	352.431	2.030	10	10	FECE	
CC(C)N(CCS(C)(=O)=O)c1cc(Br)c(CN)cc1F	2170171666	IETSBLKNWSRLBX-UHFFFAOYSA-N	367.284	2.306	10	10	FECE	
CCCOc1cc(N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)ccc1N	2044632025	ZPPSIQBXCSIAGW-AWEZNQCLSA-N	353.463	2.379	10	10	FECE	
Nc1ccc(CNS(=O)(=O)c2ccc(Br)c(N)c2)cc1	2191637662	KMBGNDAPLDSNEU-UHFFFAOYSA-N	356.245	2.092	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)N2CCC(N=[N+]=[N-])CC2)N(C(=O)OC(C)(C)C)C1	2060613065	NCQZXRIEEHTZPB-CHWSQXEVSA-N	353.423	2.312	10	10	FECE	
CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCC(CN=[N+]=[N-])CC1	2060632674	DVDFSEGBMHUAIR-CYBMUJFWSA-N	355.439	2.465	10	10	FECE	
C[C@@H](N=c1[nH]nc(CNC(=O)OC(C)(C)C)o1)c1cc(O)ccc1O	2083273874	ZFMRULWNPDERFS-SECBINFHSA-N	350.375	2.101	10	10	FECE	
COc1cc(N)c(N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C)cc1OC	2106844297	QXAKIBMGQOXJJA-KOLCDFICSA-N	361.364	2.322	10	10	FECE	
Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(F)cc1	2296929503	AFBUHRCNZRSENG-UHFFFAOYSA-N	357.410	2.490	10	10	FECE	
CC(C)N1C[C@H](C)[C@H](NC(=O)C=Cc2ccc(N3CCOCC3)cc2)C1	2298534765	UNGYCYURNAFWAC-FXAWDEMLSA-N	357.498	2.381	10	10	FECE	
COc1ccc2c(c1)nc(CNC(=O)C=Cc1ccc(O)c(O)c1)n2C	2309663624	XUVZTRYKSFKXGW-UHFFFAOYSA-N	353.378	2.323	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1[C@H]2CCC[C@H]2[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1	2309664838	FUFSSPXQNNYBEV-DEEDKQTDSA-N	350.459	2.191	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NCc3ccc(O)c(O)c3)C[C@@H]21	2343109073	URGWYXSSYMJPHY-JKIFEVAISA-N	364.442	2.354	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CC[C@@](O)(C(F)(F)F)C1	175163186	BSWGBJCXJQLEGU-ZVVFDCPKSA-N	370.371	2.062	10	10	FECE	
CCOCCN1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@@H]1C	117486825	ZSAXZJCZRRYDGO-HNNXBMFYSA-N	366.481	2.144	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1	246503726	HVGDNNVRYWKKCO-RXVVDRJESA-N	370.541	2.318	10	10	FECE	
Cn1cc([C@@H]2CCN(C(=O)/C=C\c3ccc(N4CCOCC4)cc3)C2)cn1	255019993	KCAKXXUAALMQOU-NCRRVARUSA-N	366.465	2.286	10	10	FECE	
Cc1ccc([C@@](C)(O)CNC(=O)/C=C\c2ccc(N3CCOCC3)cc2)o1	255161939	CZPSEIMDXMHNIF-PNWMKBJFSA-N	370.449	2.462	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N1CCS[C@@H]2COCC[C@H]21	255319469	XLULWSAKULPAAK-QXDJROSASA-N	374.506	2.269	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)N3CCn4nncc4C3)ccc21	563357718	IYRGNJDMOZSQDU-UHFFFAOYSA-N	353.426	2.152	10	10	FECE	
NC(=O)c1ccc(C(=O)NCc2cc(Br)ccc2O)s1	804739574	JZXYEDBDZPYTFG-UHFFFAOYSA-N	355.213	2.245	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NC1CCC(O)(c2cccnc2)CC1	588493496	KTOQTFBVKIRIEU-XQRVVYSFSA-N	354.406	2.453	10	10	FECE	
C[C@H](NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cn[nH]c1	838533126	CIIPETYJWOEELU-NSHDSACASA-N	365.384	2.085	10	10	FECE	
COc1ccc(O[C@@H](C)C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)cc1	832293194	RDPRVHHJZJLRAP-IFXJQAMLSA-N	357.454	2.345	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC(c2ccccn2)=NO1	906857427	XSYJAKUGMIJCMM-GOSISDBHSA-N	352.394	2.066	10	10	FECE	
CN(C)CCOc1ccccc1CNC(=O)NCc1c(O)cccc1F	915361876	XQMXYPDFYXESQX-UHFFFAOYSA-N	361.417	2.471	10	10	FECE	
CC(C)(C)OCCCN1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	921845838	BDVRGMBYCVPFQX-SOFGYWHQSA-N	362.470	2.460	10	10	FECE	
COCc1ccc([C@H]2COCCN2C(=O)/C=C\c2ccc(O)c(O)c2)o1	928524819	YCMGRUFSFCJVHR-YFUKIHRRSA-N	359.378	2.451	10	10	FECE	
CCN1CCC(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	852187331	PRJAWSYXLMAXMO-QGZVFWFLSA-N	360.502	2.305	10	10	FECE	
CN(CC(C)(C)S(C)(=O)=O)C(=O)NCCCSc1nccs1	764442551	QSYQCXXUOYVFCS-UHFFFAOYSA-N	365.546	2.090	10	10	FECE	
Oc1cccc(Br)c1CNCc1nc(O)c2c(n1)CCOC2	865866368	LFHOHTUWRXHYQC-UHFFFAOYSA-N	366.215	2.013	10	10	FECE	
COc1ccc(N2CCN(CCCN[C@H]3CN(C4CC4)C[C@H]3C)CC2)cc1	764682809	HVVLGXVTEDUICC-GCJKJVERSA-N	372.557	2.280	10	10	FECE	
CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1nccs1	769902908	OJDHHGKUGOGHJA-NSHDSACASA-N	355.441	2.101	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@H](c2cccnc2)C2CC2)cc1	785427326	CTMXRBUCEVOWNB-SFHVURJKSA-N	352.438	2.031	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H](O)c1ccccc1	1137816692	OJSBMCHMSJEXJY-KRWDZBQOSA-N	363.797	2.281	10	10	FECE	
CN1CCCc2cc(CNC(=O)C(=O)NCC[C@H]3CC(C)(C)CO3)ccc21	897582917	DDOMJWBLABNCCZ-KRWDZBQOSA-N	373.497	2.007	10	10	FECE	
Cc1ccc(C(=O)NC[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(O)c1O	1152060468	IMKSFVYKOZKNMM-LBPRGKRZSA-N	363.435	2.343	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2124533203	BLIBEWXWNBJSNV-STQMWFEESA-N	367.450	2.465	10	10	FECE	
COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccccc1O	1171723536	SZHIQDDKQOTVNZ-YPMHNXCESA-N	366.414	2.026	10	10	FECE	
Nc1ccc(NC(=O)CN2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)cc1	2132352638	HHYUPVMZVZROMS-YLJYHZDGSA-N	350.466	2.414	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)NC[C@@]1(C)CC1(F)F	1261718586	LTWMWSLHLYYSBP-SCLBCKFNSA-N	367.440	2.270	10	10	FECE	
Cc1sc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)nc1O	1299098488	AAPURRQGKAIJFZ-UHFFFAOYSA-N	369.393	2.202	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2nc(C(N)=O)co2)c1	1470018664	SWOVXRGLDZNIMD-UHFFFAOYSA-N	352.394	2.419	10	10	FECE	
CCOC(=O)c1ccc(C(=O)NCc2ccc3cccnc3c2O)nc1	1557123407	OFXVNVBJWGJAGQ-UHFFFAOYSA-N	351.362	2.442	10	10	FECE	
COCCN1C(=O)CCc2cc(NC(=O)Cc3ccc(O)c(O)c3)ccc21	1556297374	ZRSMIPOHDABDDE-UHFFFAOYSA-N	370.405	2.205	10	10	FECE	
O=C(Nc1c(C2=S=CC=C2)nc2ccccn12)c1ccc([N+](=O)[O-])[nH]1	1637093252	HOZDGAIPGZUPFU-UHFFFAOYSA-N	353.363	2.449	10	10	FECE	
CCOC(=O)[C@@H](C(=O)N(C)CCN(C)c1ccc(OC)cc1)C(C)C	1644437661	GAYPGGLORSFZMM-QGZVFWFLSA-N	350.459	2.425	10	10	FECE	
Cc1cc(/C=C/C(=O)N[C@@H]2CCC(=O)NC2=O)c(C)n1-c1ccccc1	153274457	OOSDZUSIAQINQM-SYJIQKIWSA-N	351.406	2.029	10	10	FECE	
COc1ccc(Br)c(CN[C@@H](C)CCS(C)(=O)=O)c1O	1964587766	IDQFHKCNLPJPKB-VIFPVBQESA-N	366.277	2.076	10	10	FECE	
CS(=O)(=O)[C@H]1CC[C@H](NCc2cc(Br)cc(F)c2O)C1	2145392664	PNPREPXWFHVLRJ-QWRGUYRKSA-N	366.252	2.349	10	10	FECE	
C[C@]1(NS(=O)(=O)Cc2ccc(N)cc2)CCN(Cc2ccccc2)C1	406040419	SWFPFOICOOARHK-IBGZPJMESA-N	359.495	2.353	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CN(c3cc4c(cc3N)NC(=O)CC4)C[C@H]2C1	2163166179	AVHISNJNMDZCJO-KBPBESRZSA-N	372.469	2.457	10	10	FECE	
CN(Cc1cc(N)ccc1O)C[C@@H]1COCCN1C(=O)OC(C)(C)C	2044675988	PVNPUMJGJJVFSN-OAHLLOKOSA-N	351.447	2.042	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CN(C(=O)COc2ccc(N)cc2)CC1(C)C	2106697983	TVTFRXWWPLSYTG-HNNXBMFYSA-N	363.458	2.409	10	10	FECE	
COc1ccc(O)c(CNC[C@H]2CN(C)CCN2C(=O)OC(C)(C)C)c1	2098262975	JHRHWWMNLQHAGD-HNNXBMFYSA-N	365.474	2.042	10	10	FECE	
COc1ccc(Br)c(CN2CCSC[C@H]2C(=O)O)c1O	2236036389	DRQPKEQQMHBQJC-JTQLQIEISA-N	362.245	2.165	10	10	FECE	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=S)N(C)C2=O)o1	2293152662	DKUHBSWWANYKIY-UHFFFAOYSA-N	371.374	2.420	10	10	FECE	
Cc1nc(C2(NC(=O)C=Cc3ccc(N4CCOCC4)cc3)CCC2)no1	2297505236	CSZBENUHGPPMJB-UHFFFAOYSA-N	368.437	2.423	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@]2(NCc3cccc(F)c3O)CO[C@H]1C2	2312834667	PUIFCEPQECHGNQ-SUNYJGFJSA-N	352.406	2.446	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)N1CCc2cc(O)c(O)cc2C1)C1CC1	2341198802	ZRSNWHXQGCZOKQ-UHFFFAOYSA-N	362.426	2.382	10	10	FECE	
C[C@](NCCN=[N+]=[N-])(C(=O)O)c1ccc(I)cc1	235693367	ZMZGBEZZYCILCB-LLVKDONJSA-N	360.155	2.491	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(F)cc3C)CC2)cc1	80241235	VHWATKVRCRJXST-UHFFFAOYSA-N	371.412	2.430	10	10	FECE	
CCOc1ccc(O)c(CN(C)C[C@H](O)CNC(=O)OC(C)(C)C)c1	295058409	GJAONYVOFBLPRM-CQSZACIVSA-N	354.447	2.108	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(COC)ncn1	802610722	NEOKOKZOYBXEIQ-UHFFFAOYSA-N	372.425	2.096	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cnn(C)c1SC	819698971	VAEASURNOXSFDY-UHFFFAOYSA-N	363.439	2.053	10	10	FECE	
Cc1cc(Br)cc([C@@H](C)N[C@@H]2CCC(=O)N(C)C2=O)c1O	818360753	CFAPIJFMVPEPPQ-BXKDBHETSA-N	355.232	2.261	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCc2nc[nH]c2C1	822552862	BISYNIRTYZDLJI-OAHLLOKOSA-N	356.495	2.384	10	10	FECE	
CC1(C)OC[C@H]2C[C@@]21C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	828155935	CZISXWHDRCVDMS-UTKZUKDTSA-N	358.482	2.327	10	10	FECE	
Cc1cc(CC(=O)N[C@]2(CC(=O)O)CCOC2)c(C)n1-c1ccccc1	826139842	QAHJEBDXQSCXDB-FQEVSTJZSA-N	356.422	2.387	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1	835051704	GWGXDDYVBLVWJZ-LZCIBIBXSA-N	365.543	2.369	10	10	FECE	
CN=[S@](C)(=O)CCNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1	912779455	CJULSENPKNFDCQ-RUZDIDTESA-N	361.467	2.364	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)c1	847406560	LRQPBSQSCKMOSL-APIJFGDWSA-N	365.474	2.259	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)C3[C@H]4CCCC[C@H]34)CC2)cc1	746173413	DOHWMTZYPXLOOP-OALUTQOASA-N	357.498	2.370	10	10	FECE	
CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NCc2c(O)cccc2F)s1	921452588	SVZJSZJECFGCKK-SECBINFHSA-N	372.443	2.268	10	10	FECE	
COC[C@@H](CCNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)OC	852383659	HEFRUTVKQTYEFQ-CRAIPNDOSA-N	351.491	2.343	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC(C4CCOCC4)C3)C2)cc1	854297958	TYHCAALKBKZLCD-KRWDZBQOSA-N	359.470	2.342	10	10	FECE	
CCS(=O)(=O)C1(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1	850556648	LFXZDWRMDCMYBM-AWEZNQCLSA-N	370.490	2.280	10	10	FECE	
Cc1cc(C(=O)CN2C[C@@H](O)[C@H](C)C2)c(C)n1-c1ccc2c(c1)OCO2	768767156	BXAHSQMXXUQICJ-SJKOYZFVSA-N	356.422	2.318	10	10	FECE	
Cc1cnc(F)c(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1	864953733	IBMBEBNEYWOHIU-HNNXBMFYSA-N	370.428	2.161	10	10	FECE	
CCN(OC)C(=O)CNC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1	862102560	MITRIWFOUHVDRU-UHFFFAOYSA-N	371.437	2.355	10	10	FECE	
COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NCc1ccc3cccnc3c1O)C2	862025096	NCRBVVRPKSMUHI-RCBQFDQVSA-N	367.405	2.200	10	10	FECE	
Cc1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)c(O)c1O	780890229	DLDVDKDXGSKNRP-OKILXGFUSA-N	371.437	2.345	10	10	FECE	
COC(=O)[C@@H]1OCC[C@@H]1NCc1cc(Cl)cc(Br)c1O	895250176	DUAZXBIHLYUEHS-CMPLNLGQSA-N	364.623	2.228	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)NCc1cccnc1F	792836209	URJMHFGJKDQRLY-UHFFFAOYSA-N	362.380	2.196	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)O1	2124378867	CFSISDJRPBLKJV-GDBMZVCRSA-N	364.442	2.423	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)c1nc(=N[C@H](C)c2cc(O)ccc2O)[nH][nH]1	2130119293	OXVJBOFZMSNUGD-ZJUUUORDSA-N	363.418	2.397	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1ccns1	1334635832	DWANTHBMOVWOFU-UHFFFAOYSA-N	361.467	2.336	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H](CO)[C@H]3CO)c2C)cc1	1456060387	OLDZAMKTVUPJPW-OXJNMPFZSA-N	372.465	2.308	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NN2C(=O)[C@H](C)N(C)C2=O)c1	1453750087	PBSNMJQALONRRC-AWEZNQCLSA-N	354.410	2.330	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCCc1cc(Cl)c2c(c1)OCCO2	1540523982	GNKXWLCDVMDTPW-UHFFFAOYSA-N	363.797	2.424	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCOC[C@H]3CC3CC3)C2)cc1	1478957842	SSWYOHGSRYNBJK-FUHWJXTLSA-N	359.470	2.484	10	10	FECE	
CC(C)n1nc(C(=O)NCc2ccc(O)cc2O)c2ccccc2c1=O	1557084878	RKZOVNQVZVBDDD-UHFFFAOYSA-N	353.378	2.319	10	10	FECE	
O=C(CNC(=O)c1ccc(F)cc1F)NCc1ccc2cccnc2c1O	1557121837	BUXSSZLJXNFBHN-UHFFFAOYSA-N	371.343	2.265	10	10	FECE	
Cc1nc(COc2ccc(C(=O)NCc3c(O)cccc3O)cc2)no1	1639289601	URXVLCYZKDMASK-UHFFFAOYSA-N	355.350	2.298	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc(CN(C)C)o3)CC2)cc1F	1631381122	TYRKZJSCSIRZEC-UHFFFAOYSA-N	361.417	2.451	10	10	FECE	
CNS(=O)(=O)c1ccc(NCc2cccc(Cl)c2O)c([N+](=O)[O-])c1	1652315236	AOULTCHDUADLNR-UHFFFAOYSA-N	371.802	2.474	10	10	FECE	
COC(=O)c1cc(OCC2=NS(=O)(=O)c3ccccc32)ccc1N(C)C	1653036899	IBFVHVINJQQTJR-UHFFFAOYSA-N	374.418	2.110	10	10	FECE	
Cc1ccc(C(=O)N2CCN(C(=O)c3cc(O)c(O)c(O)c3)CC2)cc1C	169824447	KYXKYEDTQMNOJF-UHFFFAOYSA-N	370.405	2.018	10	10	FECE	
CC(C)c1nc(NCc2ccc(N3CCN(C)CC3)cc2)nc(N(C)C)n1	1156656880	AGDMXQIUJJPOQR-UHFFFAOYSA-N	369.517	2.425	10	10	FECE	
C[C@@](Cc1ccc(O)c(O)c1O)(NC(=O)OCc1ccccc1)C(=O)O	1951865872	BWHYRENIWLVFOF-SFHVURJKSA-N	361.350	2.116	10	10	FECE	
N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@H](COCc2ccccc2)C1	384062009	DXOUVDZUWHRWHA-ROUUACIJSA-N	370.449	2.033	10	10	FECE	
C[C@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc(O)cc1O	397411502	TYXYSPMPFHQLPK-GXTWGEPZSA-N	352.431	2.384	10	10	FECE	
C[C@H]1[C@@H](C)N(c2ccc([C@@H](C)N)cc2Br)CCS1(=O)=O	2170277414	PLJYPANFTBKRBU-MXWKQRLJSA-N	361.305	2.481	10	10	FECE	
CC(C)(C)OC(=O)N1CC([C@H](F)CNC(=O)Cc2ccc(N)cc2)C1	2050108885	UXCLIZDHMZSKGP-OAHLLOKOSA-N	351.422	2.133	10	10	FECE	
CC[C@@](COC)(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2060639467	IEXAXFYOLSUKET-WBMJQRKESA-N	355.439	2.465	10	10	FECE	
CN[C@@H](c1ccc2c(c1)CCN2C)[C@H](CN(C)C)NC(=O)OC(C)(C)C	2106850645	KUPRBOBUPGRAAL-WMZOPIPTSA-N	362.518	2.394	10	10	FECE	
CN1CCc2cc([C@H](N)[C@@H](O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)ccc21	2106849347	UUANINMSQMWEPT-SZMVWBNQSA-N	361.486	2.297	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-]	2218738516	PRBCVUUSQUBAAH-WUHRBBMRSA-N	353.423	2.264	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2218735026	KYDHVFKUYDNTHH-BFQNTYOBSA-N	353.423	2.096	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-]	2218745716	NRTZNACDEODRQA-AVGNSLFASA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C[C@@H](O)C1(C)C	2225794343	FGKJTQKYPBJQLT-DRAKQNMHSA-N	367.450	2.388	10	10	FECE	
Cc1nc2n(n1)CCC[C@H]2NC(=O)C=Cc1ccc(N2CCOCC2)cc1	2297820549	XMSXNBJZLADNGZ-GOSISDBHSA-N	367.453	2.088	10	10	FECE	
N=C1/C(=C\c2ccc([N+](=O)[O-])o2)C(=O)N=C2SC(c3ccco3)=NN12	33447065	JJJBIMNCESNVHQ-QPZCPURYSA-N	357.307	2.448	10	10	FECE	
Cc1cc(C)n([C@H](C)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1	138992100	YORRHDOGTQGCDL-OAHLLOKOSA-N	360.433	2.353	10	10	FECE	
CCc1nsc(N2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)n1	93643016	SFMWTQPRRKNBQI-UHFFFAOYSA-N	373.526	2.259	10	10	FECE	
CS(=O)(=O)NC[C@H]1CCC[C@@H]1NCc1ccc(N2CCCCC2)cc1	800309885	OUCFEQOWLXQDCN-MJGOQNOKSA-N	365.543	2.484	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)C[C@@H]1CCCO1	298188556	FEUQXFAMZMLPQP-SFHVURJKSA-N	361.486	2.127	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCCC[C@@H]2CCS(C)(=O)=O)cc1	813560844	OIIIDNLBQPSOHV-QGZVFWFLSA-N	367.515	2.251	10	10	FECE	
COc1cccc(O)c1CN1CC(C)(c2nnc(C3CCOCC3)o2)C1	828035584	JLSQKNJQAQKPMY-UHFFFAOYSA-N	359.426	2.451	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)CN3CCN(C4CC4)C3=O)cc2)CC1	826861905	NGCXLQXKCKKIEG-UHFFFAOYSA-N	370.497	2.439	10	10	FECE	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCc2cnn(C)n2)cc1	822883605	JZVZOZLPGLUHKI-LJQANCHMSA-N	371.485	2.022	10	10	FECE	
Nc1ccc(NC(=O)C(=O)N2CCC(Oc3ccc(F)cc3)CC2)cc1	841038673	NPFRREYXLNIKFL-UHFFFAOYSA-N	357.385	2.416	10	10	FECE	
Cc1cc(CC(=O)OCC(=O)c2cnn(C)n2)c(C)n1-c1ccccc1	853932313	HHUUXEVGDWVLLL-UHFFFAOYSA-N	352.394	2.191	10	10	FECE	
CN(C)c1ccc(/C=C/CN[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1	858252866	VSFZXWOKZKSVMF-IKSUFZCESA-N	351.516	2.216	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccnc(-n4cccn4)c3)C2)cc1	855232664	WMBCGYMYDXBKPC-MRXNPFEDSA-N	363.421	2.285	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(C4CC4)CC3)C2)cc1	851936327	LGNRQSFQLCEMEP-INIZCTEOSA-N	358.486	2.200	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3ccc(CO)cc3)C2)cc1	854297400	RLWQDASBFPIYMJ-QGZVFWFLSA-N	355.438	2.266	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCO[C@@H]([C@@H](C)O)C2)c1	862002902	FSXDXHHAIACKHK-DNVCBOLYSA-N	356.422	2.128	10	10	FECE	
CON(C)C(=O)CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21	774618173	HVNWGRWUMXWGKS-UHFFFAOYSA-N	363.458	2.484	10	10	FECE	
Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2)c(C)c1OCC(=O)O	776745252	UGERDKTXQGZBDV-UHFFFAOYSA-N	351.380	2.273	10	10	FECE	
C[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@@H]1COc2ccccc21	785422609	OWLJATZVKDYNDP-KSSFIOAISA-N	367.449	2.050	10	10	FECE	
COc1ccc([C@H](C)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(O)c1	702796254	NZPRILAYOIGMKN-GDZNZVCISA-N	366.458	2.279	10	10	FECE	
CCc1nnc(N(C)CCCOC)n1Cc1ccc(N2CCOCC2)cc1	1306088471	KKVHRIWZYVOSPR-UHFFFAOYSA-N	373.501	2.198	10	10	FECE	
Cn1cc(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)c(CNC(=O)OC(C)(C)C)n1	2124538357	IWFRMCADWLPYTM-NSHDSACASA-N	363.422	2.217	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1C[C@H]2[C@@H](C1)C2(F)F	1350370672	DTOYBQDAPFJMEV-RBVVOMGSSA-N	351.397	2.366	10	10	FECE	
Cc1nn(C)cc1C1=NO[C@@H](C(=O)Nc2c(Cl)ccc3nonc23)C1	1436137155	IBHVCPGXVYGSHD-GFCCVEGCSA-N	360.761	2.050	10	10	FECE	
CCCNC(=O)CCn1c(CC2CC2)nnc1N(C)Cc1ccccc1O	1294863279	KLTIXZMHAMFWBF-UHFFFAOYSA-N	371.485	2.489	10	10	FECE	
O=C(NCc1cccc(O)c1O)c1ccc2c(c1)nc(O)n2CC1CC1	1455318049	YZHPDJYAVHZWEK-UHFFFAOYSA-N	353.378	2.493	10	10	FECE	
CN(C)c1ccc(CNC(=O)/C=C\c2ccc3c(c2)NC(=O)CO3)cc1	1531320442	CGZUSETVIFXGPW-POHAHGRESA-N	351.406	2.413	10	10	FECE	
Cc1cccc(CN2CCO[C@H](CNC(=O)c3ccc(C)c(O)c3O)C2)c1	1471229196	NJWAREHVGRUZSH-QGZVFWFLSA-N	370.449	2.345	10	10	FECE	
CC1(C)OC[C@H](/C=C\C(=O)NCc2cccc(Br)c2O)O1	1626822167	LFNHLWUPIFAJBR-ZADCQDASSA-N	356.216	2.479	10	10	FECE	
C[C@H](C(=O)N(C)CC(=O)NCc1c(O)ccc2ccccc12)n1cccn1	1635964868	BZJNHDVBIJLLRX-CQSZACIVSA-N	366.421	2.078	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](C)c3ccccc3O)nc12	1654531931	AOHDGNVHXPRWDI-LLVKDONJSA-N	356.382	2.168	10	10	FECE	
CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@]1(O)CCOC1	1763506627	IUKOGDUSBAHRKO-LIRRHRJNSA-N	360.458	2.285	10	10	FECE	
C[C@H](O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(N=NC(N)=O)cc1	1692103256	YMNNKUVKQQNPCU-WWGRRREGSA-N	361.446	2.060	10	10	FECE	
CCOc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cn1	155091267	RXBVOGYRPLYPGX-UHFFFAOYSA-N	368.437	2.118	10	10	FECE	
COc1ccc(N(Cc2ccccc2)C[C@@H](O)CN2CCOCC2)cc1	157417730	CFRIPDLPXUDUNK-FQEVSTJZSA-N	356.466	2.395	10	10	FECE	
CCOc1ccc(/C=C2/SC(=S)N(CCOCCO)C2=O)cc1	1858589448	RJWYFCRIEHTESW-SDNWHVSQSA-N	353.465	2.295	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3nonc3OCCC(C)C)CC2)cc1	1872679434	FHKYNKMSPHPMOG-UHFFFAOYSA-N	374.441	2.466	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCC(N=[N+]=[N-])CC2)C[C@H](O)C1(C)C	1879106224	DNLTVXAPAQFTIG-YVEFUNNKSA-N	367.450	2.342	10	10	FECE	
CC1CCN(S(=O)(=O)c2cc(CO)ccc2N2CCSCC2)CC1	891879881	ZAPGPEJJYUWGCR-UHFFFAOYSA-N	370.540	2.153	10	10	FECE	
NC(=O)CCN(Cc1ccccc1)c1cc2c(cc1Cl)[C@H](O)C(=O)N2	2034745586	DIICAIWLPMIKIH-KRWDZBQOSA-N	359.813	2.208	10	10	FECE	
C[C@H](N)c1ccc(N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c(Br)c1	2170277410	PLJYPANFTBKRBU-DCAQKATOSA-N	361.305	2.481	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[C@H]2NC(=O)COc2ccc(N)cc2)C1	2106268546	NGXKZNMWGKSYSX-APHBMKBZSA-N	361.442	2.019	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2218745345	MENLOMNZXNJVQS-QNWHQSFQSA-N	353.423	2.216	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2264513570	QIURGWFVFIXUIQ-BFHYXJOUSA-N	367.450	2.438	10	10	FECE	
COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OC	2293228200	FCJYIEPERBLRNM-UHFFFAOYSA-N	354.362	2.174	10	10	FECE	
Cc1ccc(N2C(=O)NC(=O)C(=CNc3cccc(C(=O)O)c3)C2=O)cc1	2297109543	HKWBSNIFOIASSE-UHFFFAOYSA-N	365.345	2.272	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)NCCNc1nccc(C(F)(F)F)n1	2307987949	VDWQAJRSXOHLPL-UHFFFAOYSA-N	368.315	2.148	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-]	2312333806	BGTKFRMIPRVGOW-FDYHWXHSSA-N	353.423	2.094	10	10	FECE	
CN(C(=O)Cc1ccc(N)cc1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F	2320552780	UDFUEIFYKBGDSW-CABCVRRESA-N	351.422	2.227	10	10	FECE	
c1ccc(COc2ccc(N3CCOC[C@]4(COCCN4)C3)cc2)cc1	2336055288	YWBRELUWVWSDTD-OAQYLSRUSA-N	354.450	2.461	10	10	FECE	
CN(CCN1CCC(C(=O)NCCCN=[N+]=[N-])CC1)C(=O)OC(C)(C)C	2339572207	LZCFNPNUVAVQNN-UHFFFAOYSA-N	368.482	2.382	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@](N)(c2ccc3c(c2)CCN3C)C1	2344479682	DSBVLUHPJILECB-JXFKEZNVSA-N	361.486	2.489	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CC1(c2ccc(O)c(O)c2O)CC1)C(=O)O	1952532628	MXJHYXSKZLKAAQ-JTQLQIEISA-N	353.371	2.203	10	10	FECE	
COc1ccc(O)c(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)c1	179359868	JRCYZVPXYVLILU-QFBILLFUSA-N	372.396	2.376	10	10	FECE	
C[C@H](O)CN(CCN[C@@H](C)c1cc(O)ccc1O)C(=O)OC(C)(C)C	302114836	QWRLSFKLXPUHOD-STQMWFEESA-N	354.447	2.366	10	10	FECE	
COc1ccccc1N1CCN(C(=O)Nc2cc(O)c(O)c(O)c2)CC1	217278892	ZRSBTDIDXWLJMV-UHFFFAOYSA-N	359.382	2.166	10	10	FECE	
CC(=O)c1ccc(N/C=C2\C(=O)N(c3ccc4nncn4n3)N=C2C)cc1	36366568	FFQOAGAMSFUQQD-DHDCSXOGSA-N	361.365	2.045	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2C(=O)N1CCc2cc(O)c(O)cc2C1	2366908435	UIHWOQUGRZBIGJ-JKIFEVAISA-N	374.437	2.238	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnc4nsnc4c3)CC2)cc1	222607195	RMRVOTYACPDIHD-UHFFFAOYSA-N	355.423	2.057	10	10	FECE	
CCCOc1ccc(CN2CCN(C(=O)CN(CC)CC)CC2)c(O)c1	93046029	ACUPLNIANWIWAV-UHFFFAOYSA-N	363.502	2.167	10	10	FECE	
CCn1ccnc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)c1=O	91017482	WQKWAHHACKZNIW-UHFFFAOYSA-N	367.497	2.407	10	10	FECE	
CCCCCNC(=O)C1(C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1	243056068	IHRNXMWRWKKZDB-UHFFFAOYSA-N	373.497	2.430	10	10	FECE	
CCN1CC[C@H](NC(=O)NCc2ccc(N(CC)CC)c(F)c2)C1=O	801750462	UYLZVRIJMQZKAF-HNNXBMFYSA-N	350.438	2.092	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CCCC[C@H]3C(F)F)nc12	800446032	GCPKAPPTCBCFEZ-LBPRGKRZSA-N	354.357	2.231	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)C2	818103564	TWCRKGDKEWZGSO-XIRDDKMYSA-N	360.458	2.171	10	10	FECE	
COCC[C@@H](COC)NC(=O)NCc1cc(Br)ccc1O	811956749	VSVVOUYTGVKXQV-LBPRGKRZSA-N	361.236	2.005	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)Cc3ccc(O)nc3)cc2F)C[C@H](C)O1	822689113	XRRBDRLXCCBYJU-KBPBESRZSA-N	373.428	2.399	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3CCC34CCOCC4)C2)cc1	824685911	IZEUKWUMZVSZFD-MRXNPFEDSA-N	359.470	2.486	10	10	FECE	
Cc1cc(CC(=O)N(C)CCNC(=O)N(C)C)c(C)n1-c1ccccc1	831566809	ROVAAHQVBFPLJA-UHFFFAOYSA-N	356.470	2.366	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccn(CC(F)(F)F)c1=O	907275602	WPYUMVAEYBTLTA-SNVBAGLBSA-N	370.327	2.183	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC2OCCCO2)C1	832775804	RIGKFDOFSNXSEO-UHFFFAOYSA-N	371.481	2.287	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C3C[C@H]4COC[C@@H](C3)C4=O)CC2)cc1	739549649	JNMIXJFVNWUFRS-MQVJKMGUSA-N	372.465	2.022	10	10	FECE	
Cc1cc(C(=O)CN2CCNC[C@H]2C)c(C)n1-c1ccc2c(c1)OCO2	843346676	FZWRBMPYUBDPJE-CQSZACIVSA-N	355.438	2.299	10	10	FECE	
CCN(CC)c1ccc(CN2C(=O)N[C@@H](c3ccnn3C)C2=O)cc1F	843310137	IFCNCKPNBSDGJD-INIZCTEOSA-N	359.405	2.199	10	10	FECE	
C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CCN(CC(F)(F)F)C1	840141721	XEQFPVULUIQBPL-IAQYHMDHSA-N	360.376	2.134	10	10	FECE	
CCOC(=O)c1c(NC(=O)C[C@]2(C(=O)O)CCOC2)sc2c1CCC2	849181293	LNQYHDIPMCLFNB-QGZVFWFLSA-N	367.423	2.233	10	10	FECE	
COCCn1c([C@H]2CCC[C@@H](O)C2)nnc1N(C)Cc1ccccc1O	1523387717	HQBSZHSBZWSKSU-GOEBONIOSA-N	360.458	2.285	10	10	FECE	
C[C@H]1C(=O)Nc2ccccc2CN1CC(=O)NCc1ccc(N(C)C)cc1	857920210	AAVSGFVJVJSBAS-HNNXBMFYSA-N	366.465	2.212	10	10	FECE	
COC[C@@]1(C)CN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CCO1	858543437	ITZCNIRXZYZMKE-OXJNMPFZSA-N	363.502	2.439	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1	758484788	OZMKPZXWCXOFKU-ZAACICEASA-N	359.382	2.028	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(CO[C@@H]2CCNC2)CC1	861583417	UHVIFCOZRKDJQR-HXUWFJFHSA-N	374.529	2.361	10	10	FECE	
COc1cc(CN2CN(CCN(C)C)C(=O)[C@@H]2C)c(O)c(C(C)(C)C)c1	1118576945	FBCPBODECKVHBO-AWEZNQCLSA-N	363.502	2.250	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(c2nnc3n2CCC3)CC1	779501089	QWHQXEUVSBSGPJ-XQRVVYSFSA-N	354.410	2.055	10	10	FECE	
C[C@@]12CNC[C@]1(C)CN(C(=O)c1csc(Cc3ccc(N)cc3)n1)C2	872265265	MVDQHKAGCUBWII-KDURUIRLSA-N	356.495	2.388	10	10	FECE	
CO[C@@H](C)c1cccc(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1	785304583	QGXQQTKUGPELMN-OLZOCXBDSA-N	372.421	2.491	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)c3cccc(O)c3O)cn2)C[C@@H](C)O1	790544537	YIHAHSMUPHKGNX-CHWSQXEVSA-N	357.410	2.036	10	10	FECE	
Cc1nccc(COC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)n1	795341847	NZCHSJUEWBFVKH-UHFFFAOYSA-N	373.368	2.500	10	10	FECE	
O=C(CN1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1)c1ccc(O)c(O)c1	2132367547	JIORXVUGYIAQQV-ROUUACIJSA-N	352.434	2.487	10	10	FECE	
CN(Cc1nccn1Cc1ccccc1)C(=O)c1cc(O)c(O)c(O)c1	2132412115	AFQUWCNXSTYGEJ-UHFFFAOYSA-N	353.378	2.320	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3[C@H]4CCCO[C@H]43)cc2F)C[C@H](C)O1	1264689613	YMWWKHPHRZSKCM-PHXPKGLYSA-N	362.445	2.481	10	10	FECE	
C[C@@H](Cc1cccc(F)c1)N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1	1261866542	HHBINNRWBCPEFC-ZDUSSCGKSA-N	356.397	2.463	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)c3cc(C(=O)OC)co3)CC2)cc1	1342464199	RLBXCEBBWHUTPA-UHFFFAOYSA-N	358.394	2.427	10	10	FECE	
[N-]=[N+]=NC[C@@H]1CCCN([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2O)C1	1912202413	GYJZWBXIZMXXKK-BBWFWOEESA-N	359.430	2.391	10	10	FECE	
COCC[C@@](C)(O)Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O	1518968993	VTOGAXSDYVCYGK-LJQANCHMSA-N	360.458	2.285	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@H]2C[C@@H]21	2136256116	MQKXVQONMVXBHC-IHRRRGAJSA-N	362.426	2.154	10	10	FECE	
C[C@H]1C[C@@H]1CNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136258437	IVSGFZUULHEKHD-YUTCNCBUSA-N	364.442	2.306	10	10	FECE	
NC(=O)c1ccc(OCCC(=O)NCc2ccc3cccnc3c2O)cc1	1451945188	AOOOOAXXLOZJDX-UHFFFAOYSA-N	365.389	2.125	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)Cc3ccccc3)CC2)c(OC)c1	1460649953	IFNZYAKOVQSTRL-SFHVURJKSA-N	356.466	2.429	10	10	FECE	
CN(C)c1ccc(CNC(=O)[C@@H]2Cc3cc(F)ccc3NC2=O)cc1F	1544308361	JISSXCRTKHTLTR-AWEZNQCLSA-N	359.376	2.458	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N2CCO[C@@H]([C@H](C)O)C2)CCCC1	1637852403	QXQXGEBEOJJPQZ-VBKZILBWSA-N	372.465	2.137	10	10	FECE	
COc1ccc(OC)c([C@@H](O)CNC(=O)c2ccc(N=NC(N)=O)cc2)c1	1631306956	QTLHKMSEBMSQIO-HNNXBMFYSA-N	372.381	2.330	10	10	FECE	
O=C(NCc1cccc(Cl)c1O)C(=O)N1CCN(c2ccccc2)CC1	1640404517	BWSCPUAXMQEPJX-UHFFFAOYSA-N	373.840	2.011	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)N3CC[C@H](CN=[N+]=[N-])C3)O2)C1	2140444939	LTBQJTNSDVQSRH-CHWSQXEVSA-N	365.434	2.314	10	10	FECE	
CN(C)CCn1ncc(Br)c1C(=O)Cc1ccc(N)cc1	164082971	FBOBQPLOJCAAEO-UHFFFAOYSA-N	351.248	2.215	10	10	FECE	
C[C@H](NC(=O)NCCCSc1nccs1)C(=O)N1CCCCC1	153724917	CRBTUOPAXVMINY-LBPRGKRZSA-N	356.517	2.326	10	10	FECE	
C[C@H](NCc1c(O)cccc1Br)C1CCS(=O)(=O)CC1	1964607895	WHUNGQUSPAWGQF-JTQLQIEISA-N	362.289	2.458	10	10	FECE	
CS(=O)(=O)C[C@H]1CCCCN1c1ccc(CO)c(Br)c1	2151289442	OGLFFNIYBNFXRV-CYBMUJFWSA-N	362.289	2.345	10	10	FECE	
CNCc1ccc(N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)c(Br)c1	400899802	LUDSKWDWMHHZKO-QWRGUYRKSA-N	361.305	2.180	10	10	FECE	
Nc1ccc(OCCN2C[C@H](CNC(=O)C(F)(F)F)C3(CCC3)C2)cc1	2174057465	UIDWDJASFPFARY-ZDUSSCGKSA-N	371.403	2.428	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCN=[N+]=[N-])C[C@H]2COCC[C@H]21	2060638689	ZTZLTKXTIHXEHB-FRRDWIJNSA-N	353.423	2.075	10	10	FECE	
CCCN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)N(C)CCN=[N+]=[N-]	2060610763	LEJJCIDKPFGARC-OLZOCXBDSA-N	355.439	2.417	10	10	FECE	
CN1CCc2cc(CNCC3(O)CC(NC(=O)OC(C)(C)C)C3)ccc21	2107281823	HICXENATIBSZAQ-UHFFFAOYSA-N	361.486	2.187	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCCN(CC(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2225794187	CZKPTMGLQDGBLT-MCIONIFRSA-N	366.466	2.323	10	10	FECE	
CN(C)c1ccc([C@H](N)C2(O)[C@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1	2270725383	ISYMMDFIXWWHRD-ZOBUZTSGSA-N	361.486	2.370	10	10	FECE	
COc1ccc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1C(=O)O	2293104095	GJDNIYXFOYVXQK-UHFFFAOYSA-N	366.329	2.060	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@]2(CC(=O)C(=O)C[C@H]3C[C@H](N)C3)CC[C@H]1C2	2318208191	RZOMPBKVGKGTMC-MNUAXYBXSA-N	350.459	2.432	10	10	FECE	
NC(=O)C1CCN(N=Nc2ccc(I)cc2)CC1	2330277621	FZCULFJWLRFOKQ-UHFFFAOYSA-N	358.183	2.487	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N1[C@H]2CC[C@H]1CC(O)C2	111828498	WXNOQGOENAUHNI-IRXDYDNUSA-N	361.511	2.437	10	10	FECE	
COCCN1CCC[C@@H]1CNC(=O)c1cc(C)n(-c2ccccn2)c1C	69504253	AZDLJUOVSOHCHG-QGZVFWFLSA-N	356.470	2.330	10	10	FECE	
O=C(O)CCCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2O)SC1=S	33345970	DUVGVROSFWRBSZ-YRNVUSSQSA-N	368.392	2.366	10	10	FECE	
COc1ccc(N2CCN(C)CC2)cc1NS(=O)(=O)c1cccs1	74587047	CULQMVBWBWVTCI-UHFFFAOYSA-N	367.496	2.309	10	10	FECE	
Cc1nn(C)c(C)c1CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1	255429635	GSFVHHRNDQWUOY-TWGQIWQCSA-N	354.454	2.203	10	10	FECE	
COC[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1	285722334	NKMNCGWTMCGJCV-KRWDZBQOSA-N	373.428	2.012	10	10	FECE	
O=C1OCCN1C[C@@H]1CCN(Cc2cccc(Br)c2O)C1	824451299	RPCIVUFWJRBAJY-LLVKDONJSA-N	355.232	2.429	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)c1nc(N)nc2c1CCCC2	825541495	FVBYFVGXORCWBL-UHFFFAOYSA-N	353.470	2.411	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@@](C)(F)C3)CC2)cc1	830212385	OIGIPPNYIMYDSU-AZUAARDMSA-N	365.493	2.002	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@]12CCCC[C@@H]1N(C(=O)OC(C)(C)C)CC2	910125433	FEQQOABBULMDNK-KBXCAEBGSA-N	353.415	2.258	10	10	FECE	
C[C@H]1CN(C(=N)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CCO1	849095511	ASOGTXLROQFQDT-SOUVJXGZSA-N	364.465	2.184	10	10	FECE	
COc1ccc(N2CC[C@H](N3C(=O)[C@@H]4[C@@H]5CCC[C@H]5CN4C3=O)C2)cc1	849358296	VEAACAPPKBZMLD-PLYYQAHHSA-N	355.438	2.337	10	10	FECE	
Cn1nc2c(c1CNCc1ccc(N3CCC(CO)CC3)cc1)CCC2	921584780	YCQXIDZFYOJRID-UHFFFAOYSA-N	354.498	2.407	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1OCC[C@H]1C(=O)NCc1c(O)cccc1F	928706334	QQGLAQBWVLWSKR-IAQYHMDHSA-N	368.405	2.077	10	10	FECE	
CN(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)cc1	852791942	NSBQYDWUUKEJJW-XUVXKRRUSA-N	369.465	2.025	10	10	FECE	
CCOCCn1cc(C(=O)NCc2cc(Br)ccc2O)cn1	857256636	JOAQKNKBNIVODZ-UHFFFAOYSA-N	368.231	2.318	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](O)c3ccc(F)cc3)C2)cc1	852451195	FURJEPMKWRKOBE-VQIMIIECSA-N	373.428	2.446	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3c[nH]nc3[C@@H]3CCCO3)CC2)cc1F	866458995	DYNZSIJACFMYHS-KRWDZBQOSA-N	374.416	2.371	10	10	FECE	
CO[C@@H]1C[C@H]2CN(C(=O)c3ccc(C)c(O)c3O)Cc3cccnc3N2C1	870538621	RBCBDOFPHVYDCI-LSDHHAIUSA-N	369.421	2.051	10	10	FECE	
Cc1nc(CN2CCC(CNC(=O)Cc3ccc(O)c(O)c3)CC2)oc1C	1136630733	XVOVJOIYWOQRIF-UHFFFAOYSA-N	373.453	2.274	10	10	FECE	
Cc1nc2c(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)ccnc2[nH]1	797833742	IYLNAEVANPMGTE-UHFFFAOYSA-N	369.400	2.172	10	10	FECE	
COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c1O	1084581106	IMYRRHDFCGKEBQ-PKNBQFBNSA-N	372.377	2.371	10	10	FECE	
CC(C)ONC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	1159691874	OPDQFNCSUPILDL-UHFFFAOYSA-N	356.425	2.324	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1ccc(S(=O)(=O)CC2CC2)cc1	1162277965	FJFHEUMSDPSWKV-UHFFFAOYSA-N	361.419	2.212	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)C(=O)C[C@H]2C[C@H](N)C2)OCC1(C)C	2128626928	RXJWLBFDHQWDDM-MGPQQGTHSA-N	368.474	2.057	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1	2124509022	KDJJILQRACDGHG-GDZNZVCISA-N	365.434	2.171	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc[n+]([O-])c3)cc2F)C[C@H](C)O1	1346582784	CABZKCNBFWQOMX-KBPBESRZSA-N	374.416	2.394	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1	1290332027	SRUFMUVQCKSQFB-MOPGFXCFSA-N	373.497	2.448	10	10	FECE	
Cc1ccc(C(=O)N(C)Cc2nc(=O)o[nH]2)cc1-n1c(C)cc(C=O)c1C	1299929823	KLMANNGEUNSKMI-UHFFFAOYSA-N	368.393	2.164	10	10	FECE	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ncc(Cl)cn1	1460741104	LPRSIKXXWJELMC-UHFFFAOYSA-N	368.771	2.175	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1CCN1CCOC(C)(C)C1	1546421627	MJZDUVXEQAWRDV-UHFFFAOYSA-N	373.501	2.293	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCCc2nnc3n2CCCCC3)cc1	1629325168	VTXLXWFFLHXGPT-UHFFFAOYSA-N	355.402	2.139	10	10	FECE	
COC[C@@](C)(CC(=O)OC)NC(=O)c1cc2cc(O)c(O)cc2s1	1634642505	HERJEHJSRZZHPE-MRXNPFEDSA-N	353.396	2.011	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1nnc(-c2ccco2)o1	1641205018	ZDSDRBVDKGBDSW-UHFFFAOYSA-N	368.393	2.221	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O	1643879405	OHOHJFHVCQRMFS-HNNXBMFYSA-N	360.797	2.421	10	10	FECE	
C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCc1cc(Cl)ccc1O	1644590813	QDFBBTPJZGHOIL-SECBINFHSA-N	374.871	2.090	10	10	FECE	
Cc1ccc(C(=O)NC2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)s1	1583990081	WRNBFOPMHZPMDH-UHFFFAOYSA-N	374.462	2.431	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1[C@H]2CC[C@H]3[C@@H](C2)[C@@]13C(=O)C(=O)C[C@H]1C[C@H](N)C1	1891634920	CLKVOUPLOCPHRW-URKDXXOVSA-N	362.470	2.191	10	10	FECE	
COC[C@]1(NCc2ccc(O)cc2O)CCN(C(=O)OC(C)(C)C)C1	2039840642	ILYQIKYXESTHNI-SFHVURJKSA-N	352.431	2.213	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N[C@@H](C)c1ccc(O)cc1O	2058681594	XOQUCCDDLJDPRR-HZUKXOBISA-N	352.431	2.383	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(C(=O)N2CC[C@H](N=[N+]=[N-])C2)CCCOC1	2060615650	QPIFWQYSCOFPKC-BLLLJJGKSA-N	353.423	2.219	10	10	FECE	
C[C@H]1CN(CC(=O)Nc2ccc(N)cc2)CCN(C(=O)OC(C)(C)C)C1	2106687131	WPYRMQSYZCLBCG-AWEZNQCLSA-N	362.474	2.396	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N(C)CC1CN(C(=O)OC(C)(C)C)C1	2106762556	DFXWEGYVLNATEW-ZDUSSCGKSA-N	362.474	2.395	10	10	FECE	
CN1CCc2cc([C@H](N)c3cn(C)nc3I)ccc21	2106856201	WTZJFUMNGPUPOP-ZDUSSCGKSA-N	368.222	2.065	10	10	FECE	
CON(C)C1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1	2088378488	FESHGUXNVSBORO-UHFFFAOYSA-N	362.474	2.244	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CN(c2ccc3c(c2)OCCO3)CC[C@H]1CO	2226764507	HEHXLZLQGDRRIP-ZFWWWQNUSA-N	364.442	2.170	10	10	FECE	
CC(C)(C)OC(=O)NC12COC(C(=O)N3CCC(N=[N+]=[N-])CC3)(C1)C2	2254810240	JPQTZVBVMIKAJJ-UHFFFAOYSA-N	351.407	2.114	10	10	FECE	
COc1ccc(N(CCNC(=O)OC(C)(C)C)C[C@H](C)O)cc1OC	2257630305	HCZBLLLKUBEKBG-ZDUSSCGKSA-N	354.447	2.416	10	10	FECE	
Cc1nc2cc(NC=C3C(=O)NC(=S)N(CC(C)C)C3=O)ccc2o1	2295113278	ZYKYJSUKPHWRMN-UHFFFAOYSA-N	358.423	2.331	10	10	FECE	
O=C(C=Cc1ccc(C(=O)NC2CC2)cc1)NCCc1ccc(O)c(O)c1	2301398131	DEKZPMBRRLTSMG-UHFFFAOYSA-N	366.417	2.362	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1O	366791231	CGSGBBDQLUSZIE-FHSNZYRGSA-N	366.414	2.467	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@H]3CCc4nc[nH]c4C3)CC2)cc1	378097342	UTAXCTIYELMHIJ-HNNXBMFYSA-N	369.469	2.198	10	10	FECE	
COCCO[C@H]1CCCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1	800872163	QRQPHCPNWWAOHG-LYASGUKUSA-N	364.398	2.413	10	10	FECE	
CN(C)c1ccc(CN(C(=O)C(=O)NCc2cscn2)C2CC2)cc1	804021117	SBTHGZXSPLVIOI-UHFFFAOYSA-N	358.467	2.017	10	10	FECE	
CNC(=O)[C@H]1CCN(CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)C1	817283976	GIMXASFJJKNXDP-HNNXBMFYSA-N	357.429	2.484	10	10	FECE	
C[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccnn1C	817534308	JKNOYMIQWRTPCI-OAHLLOKOSA-N	356.470	2.049	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)C2	819617110	XNHVYQGBDUJRKP-XWHQDECPSA-N	360.410	2.094	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)c1cn(CC2CC2)nn1	825305282	HAMMUHAXZGXYMP-UHFFFAOYSA-N	357.483	2.171	10	10	FECE	
CO[C@@H]1COCC[C@H]1CNC(=O)NCc1cc(Br)ccc1O	836574713	NCEPNCWWMFIQHB-IINYFYTJSA-N	373.247	2.005	10	10	FECE	
Cc1ccc(C2CCN(C(=O)C(=O)NCCc3ccc(N)cc3)CC2)cn1	842236851	RPJFBVQBSYWVFH-UHFFFAOYSA-N	366.465	2.037	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)cc1	846721012	DIPCCVIRHYGNTC-IRXDYDNUSA-N	355.841	2.190	10	10	FECE	
CO[C@@H]1CC[C@H](C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1	854906912	ZRYKEXVYTPUKQW-UONOGXRCSA-N	354.397	2.233	10	10	FECE	
CN1C[C@@H](CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1=O	924754694	UWLMITLZAVTUGW-VIFPVBQESA-N	360.241	2.367	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)COCC(F)F)cc2F)C[C@H](C)O1	858626207	URPOTHZNHKXWFJ-RYUDHWBXSA-N	360.376	2.337	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCc4ncsc4C3)C2)cc1	852450977	ATARRDUECOYLGV-ZDUSSCGKSA-N	358.467	2.498	10	10	FECE	
Cc1cc(NCCNC(=O)NCCc2ccc(N)cc2)nc(C(C)C)n1	861642021	YJWVUBPXHOHHJB-UHFFFAOYSA-N	356.474	2.444	10	10	FECE	
Cc1cc(CNC(=S)NCc2ccc(N3CCC(O)CC3)cc2)no1	865239570	GKPCSDZXLCIHCQ-UHFFFAOYSA-N	360.483	2.108	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@@H](O)[C@H]1CCCO1	862656145	ZCVUAZFZUMSGCV-RTBURBONSA-N	356.422	2.176	10	10	FECE	
NC(=O)c1cc([N+](=O)[O-])cnc1NCc1cccc(Br)c1O	764935481	VBFQYJNDMRFEIK-UHFFFAOYSA-N	367.159	2.169	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@@H]2CSC[C@H]2C1	868130664	QJOLBZMOWGAZEE-IAGOWNOFSA-N	361.511	2.418	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NC[C@]2(C)CCOC3(CCC3)C2)cc1	897361573	MDBAUUWKHKTGEA-HXUWFJFHSA-N	373.497	2.224	10	10	FECE	
CN(Cc1cc(Br)ccc1O)CC(C)(C)S(C)(=O)=O	93772414	MLCHUASVCJJPFE-UHFFFAOYSA-N	350.278	2.410	10	10	FECE	
COC(=O)c1c(CNCCOC[C@H]2CCCO2)c2cc(F)ccc2n1C	894268144	AUAVXDZPVLLZSX-CQSZACIVSA-N	364.417	2.389	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](C)n1cccc1	1321367455	XBWWTQTZHRQAAS-HIFRSBDPSA-N	360.410	2.141	10	10	FECE	
CO[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2127464721	ZAPVMCBSOMIRPK-OLZOCXBDSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)NCCC(F)(F)C(=O)NCCc1ccc(O)c(O)c1	2124288381	FUPFLORKFKSYDP-UHFFFAOYSA-N	374.384	2.307	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)c2ncccc2N(C)C)N(C)C)cc1	1180179058	LDLHZZROSQOYDJ-GOSISDBHSA-N	355.486	2.246	10	10	FECE	
CC(C)(C)OC(=O)NC[C@](C)(NC(=O)c1cc(O)c(O)c(O)c1)C1CC1	2132410825	PWTQMBFZSOZLFH-SFHVURJKSA-N	366.414	2.227	10	10	FECE	
CCn1cccc1C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1	1346842353	FMMFEFNIFQKDBQ-UHFFFAOYSA-N	354.454	2.107	10	10	FECE	
Nc1ccc(OCCS(=O)(=O)c2cncc(Br)c2)cc1	1921665704	NIRLYFFVENHWQD-UHFFFAOYSA-N	357.229	2.279	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCO[C@H]1c1ccnn1C	1615273481	NBCOGGYTIZJURI-HNAYVOBHSA-N	370.453	2.379	10	10	FECE	
COc1ccc(CNC[C@@H](NC(=O)[C@@H]2CCN(C)[C@@H]2C)C2CC2)cc1C	1569302925	FQOBOBHCBDEQET-ATZDWAIDSA-N	359.514	2.328	10	10	FECE	
COc1ccc(CNC[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2cncn2C)cc1C	1732971076	KCMIRVVPTINRKV-DJIMGWMZSA-N	356.470	2.135	10	10	FECE	
CCOC(=O)[C@@H]1C2CCC(CC2)N1CC(=O)NCc1ccc(N(C)C)cc1	1645819571	ODBJJXIPCNRXBH-NLPFYKDJSA-N	373.497	2.175	10	10	FECE	
Cc1cccc(CNC(=O)[C@@]2(N(C)C(=O)OC(C)(C)C)CCOC2)c1O	2139741988	RQQSSFCCSCAWFJ-LJQANCHMSA-N	364.442	2.343	10	10	FECE	
CCOC(=O)CN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S	6076286	CPZVULYMQNIWLX-YRNVUSSQSA-N	352.393	2.359	10	10	FECE	
CC1(C)OC(=O)C(=CNc2cccc(C(=O)N3CCCCC3)c2)C(=O)O1	14568197	YMRWUEQCEAQBJR-UHFFFAOYSA-N	358.394	2.445	10	10	FECE	
C[C@H](N[C@@H]1COC[C@@H]1CNC(=O)OC(C)(C)C)c1c(O)cccc1O	2036600087	RXXKLLNKVFNCNO-RWMBFGLXSA-N	352.431	2.288	10	10	FECE	
COc1cccc(O)c1CNCCOCCCNC(=O)OC(C)(C)C	2042571383	QQSLOTLUWSGIKH-UHFFFAOYSA-N	354.447	2.422	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@H]1NC(=O)c1ccn(-c2ccc(N)cc2)n1	2185072068	RSTXVEYZFYKLQP-CABCVRRESA-N	371.441	2.240	10	10	FECE	
CCCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)N1CC(N=[N+]=[N-])C1	2060611401	SVSCWNYXKBCQRT-CHWSQXEVSA-N	353.423	2.170	10	10	FECE	
Cc1ccc(CNC[C@@H]2C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1	2084071505	FSCDCPBJEAICFB-YSVLISHTSA-N	350.459	2.454	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](CNC(=O)Nc2ccc(N)cc2)CO1	2106289880	HTDXYRHHYJUOLF-WFASDCNBSA-N	364.446	2.320	10	10	FECE	
CN1CCc2cc([C@@H](O)c3cc(=NC(=O)OC(C)(C)C)[nH]n3C)ccc21	2106798085	HJYAPVOVDYYKAD-QGZVFWFLSA-N	358.442	2.263	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](CNCc2ccc(O)cc2O)C[C@H]2COC[C@@H]21	2097568708	XGMOIGYVGVFWHN-DZKIICNBSA-N	364.442	2.212	10	10	FECE	
CCCS(=O)(=O)C[C@@H](C)NCc1ccc(Br)cc1O	2114184858	BNLBODBXPNAWCI-SNVBAGLBSA-N	350.278	2.458	10	10	FECE	
CN(c1cc2c(cc1N)OCCO2)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F	2343622996	XETCVDPTXYIVLK-FZMZJTMJSA-N	367.421	2.434	10	10	FECE	
CN1CCO[C@H](CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1	105280858	SSJIBDAQWKZFRP-LJQANCHMSA-N	360.502	2.149	10	10	FECE	
Cc1cnn([C@@H]2CCCN(CC(=O)NCc3ccc(N(C)C)cc3)C2)c1	106223621	MFICGBHFGLXHNO-LJQANCHMSA-N	355.486	2.211	10	10	FECE	
COC(=O)[C@H]1C[C@H](OC)CN1C(=O)c1cc(C)n(-c2ccccc2)c1C	111144454	UUFKILRWHWAFOT-FUHWJXTLSA-N	356.422	2.497	10	10	FECE	
CO[C@H]([C@@H](N)Cc1ccc(O)c(O)c1)C1(NC(=O)OC(C)(C)C)CC1	1953053840	QXGISFABLXMXQX-SWLSCSKDSA-N	352.431	2.040	10	10	FECE	
C[C@H](NC[C@@H](C)CN1CCN(C)CC1)c1ccc(N2CCOCC2)cc1	120780639	QZWJOGSIAOJWLR-MOPGFXCFSA-N	360.546	2.057	10	10	FECE	
Nc1ccc(CC(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1	237885023	MCQWKJQMTHHUAT-UHFFFAOYSA-N	351.450	2.366	10	10	FECE	
C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCOc2cc(N(C)C)ccc21	255341656	WOXUKDHIEVKJPS-CQSZACIVSA-N	369.469	2.180	10	10	FECE	
O=C(/C=C\c1cncc(O)c1)NCc1ccc(N2CCC(O)CC2)c(F)c1	255078318	UHIAGODHMMNRFB-RQOWECAXSA-N	371.412	2.217	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)N(C)CCCCO)cc2F)C[C@@H](C)O1	276482701	OKNXBLSAMMSTQO-GASCZTMLSA-N	367.465	2.353	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CN1CCOCCC12CNC2	2167626949	PMIUACFDTKVURQ-UHFFFAOYSA-N	361.667	2.372	10	10	FECE	
CC(=O)C(=O)COC(=O)Cc1c(C)[nH]c2ccc(Br)cc12	808503280	KGAPJDSQXRQVSO-UHFFFAOYSA-N	352.184	2.483	10	10	FECE	
CN1CCc2cc([C@H](N)[C@@H](NC(=O)OC(C)(C)C)c3cn(C)nn3)ccc21	2166701787	JOARHZIWGJXDKE-IRXDYDNUSA-N	372.473	2.073	10	10	FECE	
Oc1ccc(Br)cc1CN1CCC(N2CC[C@@H](O)C2)CC1	827699587	JIYVMUCXGYKIPN-OAHLLOKOSA-N	355.276	2.186	10	10	FECE	
Cc1cc(O)c(CN2CCc3sc(S(N)(=O)=O)cc3C2)cc1C	827775850	JKOLQLOBLCYZCS-UHFFFAOYSA-N	352.481	2.276	10	10	FECE	
C[C@H](NC(=O)CCCCCCS(N)(=O)=O)c1ccc(N(C)C)cc1	839729733	WQBNGGUEKWHPEW-AWEZNQCLSA-N	355.504	2.169	10	10	FECE	
CC[C@@H](NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@@H](C)O	838533009	JOGWMYFGNGQBBS-OXQOHEQNSA-N	374.529	2.177	10	10	FECE	
COC(=O)[C@H]1CSCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1	840978936	XPTGSPRTLYPGKO-SNVBAGLBSA-N	360.819	2.292	10	10	FECE	
CCON(C)C(=O)CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1	844968508	YMDSLVBTUSAKDO-UHFFFAOYSA-N	362.474	2.132	10	10	FECE	
Cc1cc(O)c(CN2CCC[C@@H](CNC(=O)[C@@H]3CCCN3)C2)c(Cl)c1	843058795	YJUVUDDPEKTRSV-YOEHRIQHSA-N	365.905	2.434	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC[C@]1(C)C[C@@]1(F)Cl	846733816	SDGAXUBEZDMEGJ-MSOLQXFVSA-N	369.868	2.498	10	10	FECE	
COc1ccc(OC)c(CN(C(=O)C(=O)Nc2ccc(N)cc2)C2CC2)c1	841099456	QRYLDLCRLDYSFU-UHFFFAOYSA-N	369.421	2.416	10	10	FECE	
CC(C)n1ncc2cc(/C=C\C(=O)N3C[C@@H](C)Cn4nccc43)c(=O)[nH]c21	922202587	QKRGLEMELNYJAR-DSYXLKISSA-N	366.425	2.198	10	10	FECE	
Cc1cc(Cl)cc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCCN3)C2)c1O	843058507	UTJZIDYWUIJIMZ-YOEHRIQHSA-N	365.905	2.434	10	10	FECE	
CC1(C)[C@H]2NCCC[C@H]2[C@H]1NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	925484857	JAZTUPWWQAJVPG-OJAHFUOMSA-N	370.541	2.255	10	10	FECE	
Cc1nc(N(C)C)nc(N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)n1	754787746	ZYASMFZPQNVYNV-SFHVURJKSA-N	370.501	2.498	10	10	FECE	
Cn1c(=O)oc2ccc(CNCc3ccc(N4CCOCC4)c(F)c3)cc21	858294132	KFBYAQWSKXXIFT-UHFFFAOYSA-N	371.412	2.397	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CC[C@H](C(=O)OC)CC3)C2)cc1	855227067	WBSJBPBIVYNLTB-BZUAXINKSA-N	360.454	2.370	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCC3([C@@H](O)C(C)C)CC3)C2)cc1	852452567	BLVFIKLVFUJTBV-QAPCUYQASA-N	361.486	2.370	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CSCCS3)C2)cc1	853844300	LJZHOEIDDWTAIN-XJKSGUPXSA-N	367.540	2.422	10	10	FECE	
COC(=O)c1coc(/C=C\C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	869227958	DRESHVFJRMXCDZ-ZPIQOJFGSA-N	370.405	2.483	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@@H](C)C(=O)N(C)C)C1	769664861	MXVLYQHYRZRMRK-HNNXBMFYSA-N	371.481	2.428	10	10	FECE	
C[C@@H](NC(=O)N1CCN(Cc2nccn2C)CC1)c1ccc(N(C)C)cc1	776248720	KDENDHBOKSDRKH-MRXNPFEDSA-N	370.501	2.075	10	10	FECE	
C[C@H](NC[C@@]1(NC(=O)OC(C)(C)C)CCOC1)c1cc(O)ccc1O	688534808	FPEYTHVPDQYVSW-SGTLLEGYSA-N	352.431	2.432	10	10	FECE	
CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)SC1=S	1084164135	DUBDSCVYSYXVQD-WTKPLQERSA-N	355.353	2.430	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2cc(O)ccc2O)C1	1176755271	NWAMQLPSGKWIMI-KUHUBIRLSA-N	362.426	2.361	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CC[C@H]2[C@H](C1)C2(F)F	1328393474	GMJHAMFOVKQFGR-KBMXLJTQSA-N	365.424	2.227	10	10	FECE	
O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	2132351187	VBJGROGUHSHFOH-IYBDPMFKSA-N	354.406	2.292	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(C(=O)NCc2c(O)cccc2F)C1	1456029528	OFQITPNXVGUXRM-BBATYDOGSA-N	350.390	2.405	10	10	FECE	
CN(C)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCCC2)cc1F	1298056960	YYDRRRSJQJIICC-OAHLLOKOSA-N	372.448	2.083	10	10	FECE	
CS(=O)(=O)c1ccccc1CC(=O)NCc1ccc2cccnc2c1O	1469249268	MVRDWOVVQZWOHJ-UHFFFAOYSA-N	370.430	2.203	10	10	FECE	
CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)NCc1c(O)cccc1F	1471975871	KVDUIIYKYMHTJF-IBGZPJMESA-N	374.412	2.367	10	10	FECE	
Cn1ccnc1[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1F	1623883711	YIFAAILQQOYKMF-SFHVURJKSA-N	355.369	2.419	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC[C@]2(CO)CCc3ccccc32)cc1	1631914595	KOSQEZCCMZLHKD-IBGZPJMESA-N	352.394	2.455	10	10	FECE	
Cc1cc(NC(=O)[C@@H](C)SCC(=O)NCc2c(O)cccc2F)no1	1646028430	IJJZFSXAJOUMNA-SNVBAGLBSA-N	367.402	2.204	10	10	FECE	
CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(N(C)C)cc1	5943875	RWWZIAFZRLKSOB-LJQANCHMSA-N	373.478	2.304	10	10	FECE	
C[C@@H](O)c1ccc(N2CC[C@H]3CS(=O)(=O)C[C@@H]32)c(Br)c1	2151274890	UZIVHEMSEDDNKV-PUYPPJJSSA-N	360.273	2.126	10	10	FECE	
O=C(O)[C@@H]1[C@@H]2OCCN(Cc3cc(Cl)cc(Br)c3O)[C@H]21	2149274424	AQTUJUSTDXDUSK-NHCYSSNCSA-N	362.607	2.092	10	10	FECE	
O=C(NCC[C@H]1CN(Cc2ccccc2)CCO1)c1cccc(O)c1O	311974438	BVMXXFHWOMOUPO-INIZCTEOSA-N	356.422	2.119	10	10	FECE	
CN(Cc1cc(Cl)cc(Br)c1O)[C@@H]1COC[C@H]1C(=O)O	708089877	MROAQOCTQHGCQJ-MWLCHTKSSA-N	364.623	2.340	10	10	FECE	
NC[C@]12CN(Cc3cc(Cl)cc(Br)c3O)C[C@@H]1CCO2	2175176020	KCDRPFUNFTWSSR-HZMBPMFUSA-N	361.667	2.358	10	10	FECE	
COc1cccc(O)c1CN[C@@H]1COCC[C@H]1NC(=O)OC(C)(C)C	2042579104	JDACHVAYEWTHGM-ZIAGYGMSSA-N	352.431	2.173	10	10	FECE	
CC(C)(C)OC(=O)N(CCO)CC(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2060608208	DXQWFPRHNIJAMX-CYBMUJFWSA-N	355.439	2.155	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2060622220	XJZBELWFZVBGDC-QWHCGFSZSA-N	353.423	2.218	10	10	FECE	
C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CC(=O)N(C)c1ccc(N)cc1	2106663027	VFCFVKSKVNLAIB-CJNGLKHVSA-N	362.474	2.219	10	10	FECE	
CN(CC(=O)Nc1ccc(N)cc1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1	2106757331	OERZHRZIEFPHFU-INIZCTEOSA-N	362.474	2.442	10	10	FECE	
CN[C@H](c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)c1ccccc1O	2090037462	NBICPSPCGPSYRI-INIZCTEOSA-N	359.430	2.084	10	10	FECE	
Nc1ccc(OCC(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)cc1	2090345142	OUNPVAIHSUZDQB-OALUTQOASA-N	356.422	2.138	10	10	FECE	
COc1ccc(N(CCNC(=O)OC(C)(C)C)C[C@H](C)O)c([N+](=O)[O-])c1	2269875605	CFVSOCOVWZHPBM-LBPRGKRZSA-N	369.418	2.315	10	10	FECE	
CCOc1cc(C=C2C(=O)N(CCOC)C(C)=C2C(=O)OC)ccc1O	2294037448	GDCIWBJDWGPLHK-UHFFFAOYSA-N	361.394	2.110	10	10	FECE	
O=C1C(=CC=Cc2ccccc2)SC(=S)N1CCS(=O)(=O)O	2293034687	WNPZOZGDQWKCNS-UHFFFAOYSA-N	355.462	2.332	10	10	FECE	
COC(=O)[C@@H](C)N1C(=O)C(=Cc2cc(OC)ccc2OC)SC1=S	2297465461	HXPMDJWREVGHAM-SECBINFHSA-N	367.448	2.467	10	10	FECE	
CN(C(=O)C=Cc1ccc(O)c(O)c1)[C@H]1CCN(c2ccccc2)C1=O	2307987217	LAEFQKOOOWOJSJ-INIZCTEOSA-N	352.390	2.375	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@H]1C[C@@H](OC)CN(C(=O)OC(C)(C)C)C1	2315988770	LRMAWFKNMXBWOC-QWHCGFSZSA-N	355.439	2.417	10	10	FECE	
C[C@H]1CC[C@H](C)N(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	174465090	RIHKCTSUXLFSLG-HOTGVXAUSA-N	363.477	2.399	10	10	FECE	
N[C@]1(c2cc(Br)cc(Br)c2O)C[C@@H]1C(=O)O	1952775201	NVLFHBIPZVBKLX-LDWIPMOCSA-N	350.994	2.176	10	10	FECE	
CCOC(CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)OCC	407317644	IKBBHYAAJYTPRF-UHFFFAOYSA-N	350.459	2.271	10	10	FECE	
Cc1c(C(=O)O)cc(F)cc1S(=O)(=O)NCc1ccc(N(C)C)cc1	184885526	SJGJVWYOIWONHF-UHFFFAOYSA-N	366.414	2.377	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H](O)CC(F)(F)F	189664385	MAPWICMAPDOXKF-NSHDSACASA-N	355.740	2.334	10	10	FECE	
CC[C@@H](Nc1cnn(CC(N)=O)c1)c1cc(Br)ccc1O	36998629	XIYZUVSEGNALPZ-GFCCVEGCSA-N	353.220	2.400	10	10	FECE	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCNC(=O)c1cccs1	46202207	DHHSGHBRBUQEHM-UHFFFAOYSA-N	368.418	2.472	10	10	FECE	
COc1ccc(N2CCCN(CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)CC2)cc1	249698907	DVBBAJNELMQTJR-RTBURBONSA-N	369.465	2.116	10	10	FECE	
Cc1nc(Cc2noc(/C=C\c3ccc(N4CCOCC4)cc3)n2)no1	255125804	OYDAAZLCMUVDHA-DAXSKMNVSA-N	353.382	2.359	10	10	FECE	
C[C@H](N[C@H](CO)C[C@H](O)C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1	284546005	XSQIGDRBRZSNFX-QOKNQOGYSA-N	368.493	2.471	10	10	FECE	
Cn1cnc2c(C(=O)NCc3cc(Br)ccc3O)ccnc21	807740303	TUYHQKGADBZCDN-UHFFFAOYSA-N	361.199	2.366	10	10	FECE	
CCN(CC)c1ccc(CN2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1	809688901	REOVWVFXXQPEJZ-SFHVURJKSA-N	353.532	2.389	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCCC[C@H]2CCS(C)(=O)=O)cc1	813560843	OIIIDNLBQPSOHV-KRWDZBQOSA-N	367.515	2.251	10	10	FECE	
Cc1cc(CC(=O)NC[C@@H](C)N2CCN(C)CC2)c(C)n1-c1ccccc1	827579569	GOVAPWNINDDJKG-GOSISDBHSA-N	368.525	2.389	10	10	FECE	
COc1ccc(N2CCC(NS(=O)(=O)C[C@H](OC)C3CC3)CC2)cc1	827091475	XSGVWKWCZNQTIV-SFHVURJKSA-N	368.499	2.008	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)NCc3cccc(OC)n3)C2)cc1	824271727	MZPDXEVGGJAVDY-HNNXBMFYSA-N	370.453	2.425	10	10	FECE	
C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C1(N2CCOCC2)CCCC1	588405835	VGDVOEFOUGUDAH-ZQMJAJRESA-N	360.454	2.261	10	10	FECE	
Oc1ccc(Br)cc1CN[C@H]1CNCC2(CCOCC2)C1	903974039	KELMBVYGRRSETP-CQSZACIVSA-N	355.276	2.403	10	10	FECE	
O=[N+]([O-])c1ccc(O)c(CN[C@@]2(CO)CCCN(Cc3ccccc3)C2)c1	734845995	LRDSXOZGBHRUHM-FQEVSTJZSA-N	371.437	2.417	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2ccc3ccccc3n2)c1	919814363	RIYDCWVRBJRMSH-UHFFFAOYSA-N	371.418	2.242	10	10	FECE	
Cn1c(CNCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cnc1Cl	848527441	BLZDEGFCDCCSRS-CQSZACIVSA-N	361.877	2.065	10	10	FECE	
COc1ccc2ccc(O)c(CN3CCN(c4nncn4C)CC3)c2c1	848497528	MOGDNMRATJSWQM-UHFFFAOYSA-N	353.426	2.005	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@@H](CO)[C@H]2C(F)(F)F)c1O	843412985	CQWIOPCAWYGFDL-HZMBPMFUSA-N	364.320	2.444	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)Nc2cnn(-c3ncccn3)c2)c1	746032872	HMPQPBDMVUJOGO-NSHDSACASA-N	354.370	2.259	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cccnc3-n3cccn3)C2)cc1	855233029	VUTHJAJOYAWDNX-HNNXBMFYSA-N	363.421	2.285	10	10	FECE	
Cc1cc(Cc2nc(CS(=O)(=O)N(C)C)no2)c(C)n1-c1ccccc1	854026753	KUSPDKVQCVCATN-UHFFFAOYSA-N	374.466	2.459	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCc4c[nH]nc43)C2)cc1	852453122	GJPOVQUESDFLMD-WMLDXEAASA-N	355.442	2.374	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3[C@@H]3C[C@@H]3C)cc2)CC1	867681478	XYNQNPPXPDCZIA-NDSDBLNTSA-N	355.482	2.263	10	10	FECE	
CC[C@@]1(C)NC(=O)N(Cc2ccc(N3CCN(CC4CC4)CC3)cc2)C1=O	761931149	PCOWMIGBCBGQGJ-OAQYLSRUSA-N	370.497	2.439	10	10	FECE	
COC(=O)c1ccccc1NC(=O)C(=O)N[C@@H](C)c1cc(OC)ccc1O	775525882	DJRWFRKHLNOAPE-NSHDSACASA-N	372.377	2.003	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)CC2)c(OC)c1	870166509	QHIJPFYWRZVTHY-ZWKOTPCHSA-N	374.481	2.415	10	10	FECE	
COC(=O)c1c(CN2CC[C@@](O)(C(F)F)C2)c2cc(F)ccc2n1C	894888962	LQWIOTUYHJOBFN-KRWDZBQOSA-N	356.344	2.306	10	10	FECE	
CC[C@@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)[C@@H]1CCCOC1	897582810	DAPRVKWMVBMHEN-QZTJIDSGSA-N	373.497	2.007	10	10	FECE	
COC(=O)[C@@H]1[C@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1(F)F	899210065	ALKYYRZMWYRVEN-MADCSZMMSA-N	357.334	2.097	10	10	FECE	
CCOC(=O)Cc1cccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)c1	795361799	HFUIIHOHUMPJOX-UHFFFAOYSA-N	365.407	2.307	10	10	FECE	
CC(C)(CNCc1ccc(Br)cc1O)CS(C)(=O)=O	723874280	BDWSFWFOBGKMAI-UHFFFAOYSA-N	350.278	2.315	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(-c2nc(=O)o[nH]2)c1	1140198942	ZIVWUNLBPTVFCT-UHFFFAOYSA-N	360.366	2.151	10	10	FECE	
C[C@@H](C(=O)NCc1c(O)cccc1O)C1CN(C(=O)OC(C)(C)C)C1	1304053963	XYWJLGUUVHLLMV-LLVKDONJSA-N	350.415	2.217	10	10	FECE	
CCON(CC(=O)Nc1ccc(N)cc1)C1CN(C(=O)OC(C)(C)C)C1	2118324291	JIQHILMQAGBFOO-UHFFFAOYSA-N	364.446	2.080	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)NCC[C@@H]3CC(C)(C)CO3)cc2)CC1	1246383868	ZTVZSSCCQULOKF-LJQANCHMSA-N	374.529	2.443	10	10	FECE	
C[C@@H]1COC[C@@H](C(=O)N(C)Cc2ccccc2O)N1C(=O)OC(C)(C)C	2124184609	XTPGRHGRINDISQ-HIFRSBDPSA-N	364.442	2.375	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1cc(O)c(O)c(O)c1	2132393360	UFKBEUXSJSSAOW-LBPRGKRZSA-N	366.414	2.323	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)c2cc(O)c(O)c(O)c2)C1	2132409813	IBKIOGFIZVGEPQ-LLVKDONJSA-N	366.414	2.180	10	10	FECE	
O=C(O)Cc1csc(CNCc2ccc(N3CCOCC3)c(F)c2)n1	1261889743	JAXHZHSGJPKTCI-UHFFFAOYSA-N	365.430	2.036	10	10	FECE	
C[C@H](NCC(=O)NC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1O	1460638562	OLVLYMNNLLORHN-NSHDSACASA-N	357.366	2.120	10	10	FECE	
Cc1nc(-c2cccnc2)nc(O)c1CC(=O)N1Cc2cccc(O)c2C1	1558035780	MGPZUQULBSRUJW-UHFFFAOYSA-N	362.389	2.343	10	10	FECE	
COc1ccc(CNC(=O)c2cc(Br)cc(N)c2N)c(O)c1	1626079386	CNIDLNPTJSGCGR-UHFFFAOYSA-N	366.215	2.258	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cccnc1OCCO	1557063109	FDEDVIBESDOQIZ-OAHLLOKOSA-N	357.454	2.188	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC(N[C@H]3CCOC3)C2)c1	1635942509	VORBGVLGKMGNLG-SFHVURJKSA-N	367.449	2.110	10	10	FECE	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2Cl)c1	161174728	DFIYCHLUVJTKRG-MRVPVSSYSA-N	359.835	2.136	10	10	FECE	
CCOc1ncc(/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)cn1	1866397387	VNKMQMWQEPCDBV-RUDMXATFSA-N	368.437	2.246	10	10	FECE	
CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1ccccc1O	1969155155	UVFXNLWZAVAFBD-GDBMZVCRSA-N	364.442	2.280	10	10	FECE	
CN(Cc1ccccc1)C[C@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1	702371279	OFFCFEPTTAYPRD-FQEVSTJZSA-N	354.498	2.170	10	10	FECE	
CC(C)(C)OC(=O)NCC1(F)CC(NC(=O)Cc2ccc(N)cc2)C1	2044204596	ONIXXBMCUOIIGB-UHFFFAOYSA-N	351.422	2.323	10	10	FECE	
COc1ccc(N2CCN(C(=O)OC(C)(C)C)C[C@]2(C)CO)c(N)c1	2044631951	YSVZVONAAKKLQD-GOSISDBHSA-N	351.447	2.086	10	10	FECE	
CN(C1CC(NC(=O)OC(C)(C)C)C1)S(=O)(=O)Cc1ccc(N)cc1	2044601687	KUHXBLCZYFUKGZ-UHFFFAOYSA-N	369.487	2.086	10	10	FECE	
CN(C(=O)OC(C)(C)C)C1(C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)COC1	2060634444	ZRCDOAKDGDPUKR-LBPRGKRZSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CCO[C@@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2060615265	MOHBVYNKWOGTFB-YPMHNXCESA-N	353.423	2.218	10	10	FECE	
CN(C)c1ccc([C@@H](N)[C@@](C)(O)COCCNC(=O)OC(C)(C)C)cc1	2106852875	KPZSMYRSJIAKTJ-APWZRJJASA-N	367.490	2.045	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@]2(CNCc3ccc4c(c3)CCO4)C[C@H]1CO2	2089413019	OPXPTZXVXWSYGX-JXFKEZNVSA-N	360.454	2.490	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2OCC[C@]2(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2278990559	WOKBJOBDXGUHSF-XNJGSVPQSA-N	365.434	2.314	10	10	FECE	
O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cnc(-c2ccccc2)nc1	2297617424	HKCBHSXWNNRGNX-UHFFFAOYSA-N	374.356	2.399	10	10	FECE	
Cc1c(C=CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cnn1C	2304179666	BWROHADEWIFBFQ-UHFFFAOYSA-N	372.444	2.158	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2CC(=O)N1CCO[C@@H]2CCCC[C@@H]21	175031455	VRJDSHXLPGHLMP-ZWKOTPCHSA-N	359.470	2.121	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@H](O[C@H](N)Cc2ccc(O)c(O)c2)C1	1952757589	AADHBPIDYNPPMN-BBRMVZONSA-N	352.431	2.341	10	10	FECE	
CO[C@@H]([C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C(C)(C)N	1952830283	UUDLQEKEZCDFEX-WFASDCNBSA-N	354.447	2.286	10	10	FECE	
CN(c1ccc(CN)cc1Br)[C@H]1CC[C@H](S(C)(=O)=O)C1	2361592409	FEHRPBLOZNTJGM-RYUDHWBXSA-N	361.305	2.310	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnc2c(c1)nnn2C	1356265347	FCVQQXSFWVQMGO-UHFFFAOYSA-N	350.426	2.236	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2cn(CC(=O)O)nn2)c1	262698204	FNBHAPRBPPFVFZ-UHFFFAOYSA-N	367.409	2.009	10	10	FECE	
Cc1ccc(CNS(=O)(=O)CCCCCN)c(O)c1Br	2381132748	FRAUDHWDWKCZAY-UHFFFAOYSA-N	365.293	2.012	10	10	FECE	
COc1cc(Br)cc(CN(CCO)[C@@H]2CCO[C@H]2C)c1O	825130486	YWBYGDXRJCEXIK-GXFFZTMASA-N	360.248	2.135	10	10	FECE	
Nc1ccc(OCCCON2C(=O)COc3cc(C(=O)O)ccc32)cc1	821298382	BXILRGPJJHPCPZ-UHFFFAOYSA-N	358.350	2.093	10	10	FECE	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C12CCN(CC1)C2	900871398	YVHOQPNDDHEHIU-AWEZNQCLSA-N	365.424	2.469	10	10	FECE	
CC[C@H](NC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@H](O)C(F)F	824682382	ZHHPIEZCWAJJFJ-RCBQFDQVSA-N	371.428	2.225	10	10	FECE	
Cc1cc(/C=C\C(=O)NCC(=O)N2CCOCC2)c(C)n1-c1ccccc1	588387907	PFFJYQMOTFEYBN-HJWRWDBZSA-N	367.449	2.082	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(c3nncn3C)CC2)cc1	848306905	LUUKVDNEMSZXBF-UHFFFAOYSA-N	364.453	2.185	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@@H]([C@@H]2CCOC2)C1	747952105	ZREHNGGODJNJSF-RTBURBONSA-N	373.497	2.481	10	10	FECE	
CC[C@@H](C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@H](C)O	842247461	PDHDFEXHEPDJPG-OXJNMPFZSA-N	359.514	2.242	10	10	FECE	
O=C(NCCCSc1nccs1)NCc1noc2c1COCC2	921447587	NCLKKKROQBHZCF-UHFFFAOYSA-N	354.457	2.185	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCN(CCCF)CC2)c([N+](=O)[O-])c1	858598484	FGKKZGWSBLKYOJ-GQCTYLIASA-N	351.378	2.263	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@H](O)C34CCCC4)C2)cc1	852448523	KBIONSKWNDQECG-QAPCUYQASA-N	359.470	2.363	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CC[C@H](OCc4ccccn4)C3)cc2N1	760249009	KHBVCXXFGHYGQW-ZDUSSCGKSA-N	370.365	2.116	10	10	FECE	
COc1ccc(N2CC[C@H](N3C(=O)N[C@@H](C[C@H]4CCCOC4)C3=O)C2)cc1	863512902	SDCYLPRISMTQFP-HFTRVMKXSA-N	373.453	2.011	10	10	FECE	
COC[C@@H](O)CCNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C	766243724	PLBPGHANCNZWNZ-IBGZPJMESA-N	359.470	2.333	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H](C)c3ccnn3C)C2)cc1	868720778	QJCYOUNBGLRIHO-GJZGRUSLSA-N	357.458	2.315	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)N1CCC(c2cccnc2)CC1	1117854374	OWCBKMGGUORQIL-UHFFFAOYSA-N	353.422	2.152	10	10	FECE	
CN1CC[C@@H]2CN(C(=O)c3csc(Cc4ccc(N)cc4)n3)CC[C@H]21	870982227	MABOKEGZLZYEIK-RHSMWYFYSA-N	356.495	2.482	10	10	FECE	
Cc1cc(C)cc(-n2c(C)cc(C(=O)CN3C[C@H](O)C[C@H]3CO)c2C)c1	770665438	CMFLWXWENPHFKM-RBUKOAKNSA-N	356.466	2.321	10	10	FECE	
O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1Cc2cccc(O)c2C1	871199334	WSELHJRITIRFSM-UHFFFAOYSA-N	369.377	2.293	10	10	FECE	
CC[C@H](C)NC(=O)[C@@H](C)NCc1c(C(=O)OC)n(C)c2ccc(F)cc12	894387259	VQFOITPIYOUGMC-NWDGAFQWSA-N	363.433	2.497	10	10	FECE	
COc1ccc(CNC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1C	702849174	SUXXTWVURMCDJS-HOTGVXAUSA-N	350.459	2.321	10	10	FECE	
Nc1ccc(OCCC(=O)N2CC3(CN(Cc4ccccc4)C3)C2)cc1	706178817	UGUKKDDUDUIHTO-UHFFFAOYSA-N	351.450	2.382	10	10	FECE	
COc1ccccc1[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1noc(C)n1	1147125283	JPWCNSVFGMGVCR-GOSISDBHSA-N	369.377	2.246	10	10	FECE	
CN1CCN(Cc2ccccc2)[C@H](CNC(=O)CCc2ccc(N)cc2)C1	694809132	RTLULFIJICVJKK-OAQYLSRUSA-N	366.509	2.134	10	10	FECE	
CCN(CCCN(C)C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1256236944	MVKSHTBVPPMEAO-LJQANCHMSA-N	363.550	2.339	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NCCc3ccc(O)c(O)c3)C[C@H]12	2124152483	GPFRJFAIRYLMQD-VPZZIHKRSA-N	362.426	2.060	10	10	FECE	
Oc1ccsc1-c1nnc(N2CCCn3nncc3C2)n1CC1CC1	1348191347	JKOUUCKYWRREQX-UHFFFAOYSA-N	357.443	2.124	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c(C)nnc1N1CCO[C@]2(CCOC2)C1	1289418682	ADKSPQLDRSCQSD-HXUWFJFHSA-N	371.485	2.005	10	10	FECE	
CCN[C@H]1C(=O)Nc2cc(N(C)C[C@@H](O)COCc3ccccc3)ccc21	1916382196	QCCIVNJKNAQUGE-YLJYHZDGSA-N	369.465	2.303	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)[C@@]3(C)C[C@H](O)CN3C)c2C)c1	1454625076	QBHHBPKVAGQCEH-PZJWPPBQSA-N	355.482	2.474	10	10	FECE	
C[C@H]1CNc2c(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)cnn2C1	1522410634	GQCCLVAQAFORIR-KSSFIOAISA-N	370.501	2.043	10	10	FECE	
COc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1O	1472281260	TYKUMDIUXBOQKK-KRWDZBQOSA-N	357.454	2.500	10	10	FECE	
Cc1cn2nnc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)c2c(O)n1	1625318282	BVUXIPLDGMSLIH-UHFFFAOYSA-N	366.425	2.009	10	10	FECE	
O=C(Cn1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)cn1)NC1CC1	1630545953	AQIHHASZGDDFJL-UHFFFAOYSA-N	372.406	2.040	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H](N3CCOCC3)CC2)cc1	1635244327	DAEJOFNHLSYHDT-MRXNPFEDSA-N	359.430	2.176	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCOC[C@@H]1OC	1498676084	WWJBCYRARFHPEO-RDJZCZTQSA-N	360.458	2.234	10	10	FECE	
Cc1cccc(CNC(=O)C[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c1O	2139761172	WMVUKBKAGVXCHH-GJZGRUSLSA-N	364.442	2.247	10	10	FECE	
COC(=O)c1ccccc1NC(=O)CCCN1C(=O)[C@@H](C)SC1=S	11636130	YTFWFURRKXRWAK-SNVBAGLBSA-N	366.464	2.441	10	10	FECE	
CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	270546505	MTPUCIFGQJYKCX-CYBMUJFWSA-N	352.431	2.450	10	10	FECE	
O=C(N[C@H]1CN(Cc2ccccc2)[C@@]2(CCOC2)C1)c1ccc(O)c(O)c1	2154516418	CRSMUSRWOADERP-UTKZUKDTSA-N	368.433	2.261	10	10	FECE	
CCOc1cccc(CN[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c1O	2032626117	YXSCEDAIVPGXON-KBPBESRZSA-N	352.431	2.173	10	10	FECE	
C[C@H](NCCN1CCN(C(=O)OC(C)(C)C)CC1)c1c(O)cccc1O	311271947	RRDBBFUKGBWYLX-AWEZNQCLSA-N	365.474	2.301	10	10	FECE	
C[C@]12CN3C[C@](c4ccccc4)(CN(C1)C3c1ccc(O)c(O)c1)[C@H]2O	2059113251	HSIUVDMDRCSOHB-ASJDWODUSA-N	352.434	2.046	10	10	FECE	
C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)CCOc1ccc(N)cc1	2044209678	SMCLQHRPULDRIN-ZDUSSCGKSA-N	351.447	2.409	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)CO1	2060617291	LTHFEORCXYMMJD-XQQFMLRXSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)N1CC[C@H](CN=[N+]=[N-])C1	2060636236	VUELFRDSXPCIGA-OLZOCXBDSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)N2CCC[C@H](N=[N+]=[N-])C2)O1	2060633499	OKUILJNPXHNGOT-RWMBFGLXSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H](N=[N+]=[N-])CC1)C(C)(C)O	2067739059	FBKUPZIBMFGOME-NWDGAFQWSA-N	355.439	2.342	10	10	FECE	
CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cccc(O)c1O	2084783115	KPIUTMXXJRWLNP-DGCLKSJQSA-N	368.455	2.179	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1c(N)cccc1C(=O)O	2108837031	HECCWAUMXBFTOM-UONOGXRCSA-N	365.430	2.403	10	10	FECE	
CN[C@H](c1ccccc1O)[C@@H]1Cn2cnnc2CN1C(=O)OC(C)(C)C	2090042554	MRGGJEQHWGWVRS-XJKSGUPXSA-N	359.430	2.064	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](CNCc2ccc(O)cc2O)C[C@H]2OCC[C@@H]21	2090473708	RZBBXIGGFHGZAJ-JLJPHGGASA-N	364.442	2.354	10	10	FECE	
Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)nc1NCc1ccccc1	36559178	QELIGPSFLCOCEO-RBSFLKMASA-N	356.386	2.123	10	10	FECE	
CC[S@@](C)(=O)=NCCNCc1c(Br)ccc(OC)c1O	2236053240	RHSIAWYSEGMCHJ-HXUWFJFHSA-N	365.293	2.371	10	10	FECE	
Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccccc3C(=O)O)C2=O)c1	2297531856	GKPDFJAUQJRCRX-UHFFFAOYSA-N	365.345	2.272	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1	2308005713	BGGCJXCMKHALRE-KRWDZBQOSA-N	366.417	2.276	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1cc(O)c(O)c(O)c1)C(C)(C)C	2336946432	GXOXHSUTRIIAHY-ZDUSSCGKSA-N	368.430	2.473	10	10	FECE	
CCNC(=O)N1CC[C@@H](NC(=O)NCc2ccc(N(CC)CC)cc2)C1	177553688	GOHYQPRWDIIGQY-MRXNPFEDSA-N	361.490	2.136	10	10	FECE	
O=C([C@H]1CCCN(Cc2cc3c(cc2O)CCCC3)C1)N1CCOCC1	179435897	RBIKBPQDNFQIDT-SFHVURJKSA-N	358.482	2.342	10	10	FECE	
CN1CCC(CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1	273197425	JDBYHAFGXDEVGG-UHFFFAOYSA-N	363.477	2.135	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N2CCO[C@@H](c3cccs3)C2)cc1	283395407	HKKHJASXGJSUGG-MRXNPFEDSA-N	373.478	2.030	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1	807481667	MMHRDYPRNDBTEV-ZDUSSCGKSA-N	354.472	2.280	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CCC[C@@H](CO)C1	298366963	UHKJOKFYXPGWLC-HZPDHXFCSA-N	365.449	2.013	10	10	FECE	
CCO[C@@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)[C@@H]1n1cccn1	815167368	ZRBOTALTKOACJF-ZCNNSNEGSA-N	356.470	2.228	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)CN3C[C@H](C)[C@@H]3C)cc2F)C[C@@H](C)O1	815163918	SKIVGJLPQKMNFU-JONQDZQNSA-N	363.477	2.396	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@H](O)Cc1ccccc1	819697828	DSIDIWGQPSOVLP-GOSISDBHSA-N	371.433	2.278	10	10	FECE	
C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)CC1=O	817958965	NUSAENOCFZPAQP-WPGHFRTFSA-N	370.478	2.055	10	10	FECE	
CN(C)c1ccc([C@@H](N)CN[C@@H](c2ccc(F)cc2)c2cnn[nH]2)cc1	817943337	UOHDRDMLKPPHPI-HKUYNNGSSA-N	354.433	2.389	10	10	FECE	
C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCN1C	823548590	REYCDAVGJNYJMX-VQIMIIECSA-N	374.529	2.272	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)CN(C)CCCN(C)C)c1	820074532	KFXBGFYNDGNSKD-LSDHHAIUSA-N	366.506	2.033	10	10	FECE	
CN(C)C(=O)CCN1CCC(NC/C=C/c2ccc(N(C)C)cc2)CC1	835036684	KWFXTERKWZFUOW-AATRIKPKSA-N	358.530	2.298	10	10	FECE	
CCc1n[nH]cc1C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	730235017	JARGNEWZBIMSIL-UHFFFAOYSA-N	359.449	2.183	10	10	FECE	
C[C@H](NC(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)c1ccccc1O	913763576	KPCOPSJLMSFRIF-KCTSRDHCSA-N	369.339	2.380	10	10	FECE	
C[C@H]1CN([C@@H](C)CNCc2ccc(N3CCOCC3)c(F)c2)C[C@@H](C)O1	848562009	FJFBUHWNGFVLDS-YESZJQIVSA-N	365.493	2.250	10	10	FECE	
NCCCNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	843291641	WCGMGGXQZGUOJV-ZRDIBKRKSA-N	369.537	2.195	10	10	FECE	
C[C@H]1CN(c2ccccc2NC(=O)C(=O)Nc2ccc(N)cc2)C[C@@H](C)O1	841149258	FFKGQMQUCYNTJP-OKILXGFUSA-N	368.437	2.460	10	10	FECE	
Cc1c(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)n[nH]c1C(C)C	844151344	PLXIEQDVIWZEHY-UHFFFAOYSA-N	352.416	2.171	10	10	FECE	
Cc1ccc(N(CC(C)C)C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)c(C)c1	846300007	YQVKBLDKIVJFKX-NTMALXAHSA-N	369.465	2.403	10	10	FECE	
C[C@H](NC(=O)N1C[C@H]2COC[C@]2(C)C1)c1ccc(N2CCOCC2)cc1	852012314	JBZJTFIBFWBIKI-KNBMTAEXSA-N	359.470	2.262	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN(C)C[C@H]3CC=CCC3)CC2)cc1	754270650	NYBTVRXCOMQCMN-PZJWPPBQSA-N	373.541	2.466	10	10	FECE	
CCOc1ccc(N2CCN(Cc3cc4c(cc3O)CCC4)CC2)nn1	853613948	PAPGETLIPHPYBL-UHFFFAOYSA-N	354.454	2.392	10	10	FECE	
Cn1nnc2c1C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)CC2	927858941	QKWQORWHWGZQHV-JTQLQIEISA-N	370.240	2.184	10	10	FECE	
Cc1nn(-c2cccnc2)nc1C(=O)N1CCOc2cc(N(C)C)ccc21	866203911	SUPFDDAQYVLDRY-UHFFFAOYSA-N	364.409	2.076	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H](CC(C)C)OC)CC2)c(OC)c1	1132032098	KALAYEYFIUEWHA-GOSISDBHSA-N	350.459	2.414	10	10	FECE	
CCN(CC)c1ccc(CNC[C@@H]2CCCCN2S(C)(=O)=O)cc1	796513951	QNHXDFGGIFJDOF-SFHVURJKSA-N	353.532	2.437	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1ccc(=O)n(-c2cccc(F)c2)c1	1162277776	BQLVUDYLJFOFLW-UHFFFAOYSA-N	354.337	2.318	10	10	FECE	
CN1CCCc2cc(CNC(=O)C(=O)N[C@@H]3C[C@H]3c3ccccc3)ccc21	1323420133	WCOPRZAFNAAXNP-RBUKOAKNSA-N	363.461	2.358	10	10	FECE	
CC(C)(C)OC(=O)NCCc1nc(=N[C@H]2CCc3cccc(O)c32)[nH][nH]1	2126783497	IIOPIMPWGYGITE-LBPRGKRZSA-N	359.430	2.099	10	10	FECE	
CCN1CCOC[C@H]1C(=O)NCCc1cc(C)n(-c2ccccc2)c1C	1438178832	OZMKPWBBNUOKRX-FQEVSTJZSA-N	355.482	2.474	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN3C[C@H]4CC=CC[C@H]4C3)CC2)cc1	1460637317	FYVUZTUVGNPGGH-SVFBPWRDSA-N	371.525	2.076	10	10	FECE	
NC(=O)[C@@H]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)O1	1559138107	YHDPFOJQVILSTJ-PBHICJAKSA-N	369.377	2.271	10	10	FECE	
CCOC(=O)N1CSC[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2	1566360094	YGRUHRGKEJIDOB-OAHLLOKOSA-N	364.467	2.419	10	10	FECE	
CCOC(=O)[C@H](C(=O)N(C)CCN(C)c1ccc(OC)cc1)C(C)C	1644437660	GAYPGGLORSFZMM-KRWDZBQOSA-N	350.459	2.425	10	10	FECE	
Cc1cccc(CNC(=O)[C@H]2CO[C@@H](CNC(=O)OC(C)(C)C)C2)c1O	2139749934	AMHFKKCPSOAURE-HUUCEWRRSA-N	364.442	2.247	10	10	FECE	
CC(=O)Oc1ccccc1/C=C1\SC(=S)N([C@@H](C)C(=O)O)C1=O	15034585	MPQRQLJWHHTGDK-VQLBTBKJSA-N	351.405	2.286	10	10	FECE	
COc1ccc(O)c(CNC(=O)CCc2cc3ccccc3[nH]c2=O)c1	158259116	HHPSOVSXUFEOKJ-UHFFFAOYSA-N	352.390	2.491	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3CCN(C(=O)C(C)(C)C)C3)CC2)cc1	1858357532	GJRBJMDZGLPRCR-INIZCTEOSA-N	373.497	2.238	10	10	FECE	
COC(=O)c1c(NC(=O)[C@@H]2C[C@@H](O)CN2)sc(C)c1-c1ccc(C)cc1	1866042171	QWLOHZVGIPHJKL-KGLIPLIRSA-N	374.462	2.480	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2NCc1ccc(O)c(O)c1O	2037299145	UULVTSOCOMGPRP-UPJWGTAASA-N	350.415	2.291	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1[C@H](C)C(=O)Nc1ccc(N)cc1	2162930930	GTNTVXGWILXDON-GYSYKLTISA-N	372.391	2.127	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NCc1cc2c(cc1O)OCO2	721943688	RZUIOPMQYHJRFX-YPMHNXCESA-N	350.415	2.466	10	10	FECE	
CO[C@H]1C[C@@H](C(=O)NCC2(CN=[N+]=[N-])CC2)N(C(=O)OC(C)(C)C)C1	2060615719	RLKPXLLQHOIUGM-RYUDHWBXSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)NCc1nocc1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2060621943	TYSBRCFKCIUTKL-JTQLQIEISA-N	350.379	2.472	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)NCC2(CN=[N+]=[N-])CC2)C1	2060639648	KKCNTYZFLDDPJP-LBPRGKRZSA-N	353.423	2.219	10	10	FECE	
C[C@@H](N=c1[nH]nc(CNC(=O)OC(C)(C)C)o1)c1c(O)cccc1O	2083271623	KXGPBGRTUVZZMU-SECBINFHSA-N	350.375	2.101	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)COc3ccc(N)cc3)[C@H]2C1	2106268549	NGXKZNMWGKSYSX-VBNZEHGJSA-N	361.442	2.019	10	10	FECE	
C[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(O)[C@H](N)c1ccc2c(c1)CCN2C	2106849629	YMKYITZZSBZGLT-WSXQUGQNSA-N	361.486	2.439	10	10	FECE	
CON(C1CN(C(=O)OC(C)(C)C)C1)[C@@H](C)C(=O)Nc1ccc(N)cc1	2112951624	CLWNJIMAIIXHJZ-LBPRGKRZSA-N	364.446	2.079	10	10	FECE	
Cc1ccc(N2C(=O)NC(=O)C(=CNNc3ccccc3)C2=O)cc1C	2296943377	VXUOAQAHVIYFSJ-UHFFFAOYSA-N	350.378	2.387	10	10	FECE	
C[C@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(C)(C)C	114474085	ATMLELNTZZNALM-AWEZNQCLSA-N	351.466	2.303	10	10	FECE	
CN1C(=O)C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)[C@@H]1c1ccc(F)cc1	122806374	SHEWRGZDMKCALZ-BEFAXECRSA-N	372.396	2.115	10	10	FECE	
CCC[C@@]1(C)C(=O)NCCN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1	189831269	GDAAOXXLMSUSDE-JLXBBBJOSA-N	371.481	2.054	10	10	FECE	
CCNC(=O)N1CC[C@H](N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1	90412159	CMRPHCQMAJYGTA-HOCLYGCPSA-N	364.465	2.117	10	10	FECE	
COc1cc(O)c(CN2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)cc1OC	245608185	ACYXHKRKNQRQQJ-YQQAZPJKSA-N	364.486	2.483	10	10	FECE	
CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H](C)c1cccnc1	271375779	ZVNWHLCJBNWRSA-GFCCVEGCSA-N	363.439	2.382	10	10	FECE	
COC[C@@H](O)CNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	283719668	BAPJPDKIJKOXFA-ZFWWWQNUSA-N	369.893	2.383	10	10	FECE	
Cc1ccc(CNC(=O)CNCC(F)(F)F)c(O)c1Br	2380738485	YOHURKVAACSUSE-UHFFFAOYSA-N	355.154	2.231	10	10	FECE	
CC(=O)C(=O)COC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1	808512350	MVYUTWXODMINIF-UHFFFAOYSA-N	355.375	2.311	10	10	FECE	
CC(=O)C(=O)COC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1	808493544	JKUGURPKNJIDNY-UHFFFAOYSA-N	355.325	2.117	10	10	FECE	
COC(=O)C(C)(C)n1ccc(NC(=O)NCc2cc(Cl)ccc2O)n1	825391506	XCOUIGBIVNOMKS-UHFFFAOYSA-N	366.805	2.472	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CCCN3CCSC[C@@H]23)c1	903271776	NTAQHLUBRNJNOL-MAZHCROVSA-N	350.484	2.409	10	10	FECE	
COCc1nc([C@@H]2COCCN2C/C=C\c2ccc(N(C)C)cc2)no1	835043959	DQCAGJXVJQURKA-CHYADLBTSA-N	358.442	2.369	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N[C@H](CO)c3ccnn3C)cc2)CC1	838377298	TUBPVFWZMZCIRU-GOSISDBHSA-N	371.485	2.189	10	10	FECE	
O=S(=O)(C[C@@]12CCCN(CC1)C2)NCc1ccc(N2CCCC2)cc1	913915263	BJWHHRXTVBJYIM-IBGZPJMESA-N	363.527	2.192	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CC2(C1)CC2(F)F	847291198	KKRHIOVTPAOMAL-UHFFFAOYSA-N	369.387	2.337	10	10	FECE	
Cc1ccc(CC[C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2O)o1	743717823	IDBXQQVDRBTLOP-LLVKDONJSA-N	366.439	2.416	10	10	FECE	
CN(C)[C@H](CNC(=O)CN1CCCc2cc(CN)ccc21)c1ccccc1	843349790	CMLOTDYFEOCFRK-OAQYLSRUSA-N	366.509	2.317	10	10	FECE	
CC(C)(C(=O)O)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	844252438	QWOQDWBBLKOHJA-NSHDSACASA-N	356.369	2.484	10	10	FECE	
Cc1c(C(=O)NCc2ccc(N3CCCC3)cc2)cccc1S(N)(=O)=O	753968977	PSBIRFKBARXFRO-UHFFFAOYSA-N	373.478	2.173	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3C[C@H](C)Cc4c[nH]nc43)CC2)cc1	857844209	GEVGVIAWUJDTQD-KDOFPFPSSA-N	354.454	2.433	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@]2(CNC(=O)C2)C1	861403528	XTRJDWPQILVEHG-NRFANRHFSA-N	365.433	2.259	10	10	FECE	
C[C@]12CCC(=O)N1[C@H](C(=O)NCc1ccc3cccnc3c1O)CS2	862028637	GKHKIYWEHJSHHZ-UGSOOPFHSA-N	357.435	2.011	10	10	FECE	
CCO[C@@H](C(=O)N1CCCN(c2ccc(OC)cc2)CC1)[C@@H]1CCOC1	864950263	WETMPBWQSSKVAE-VQIMIIECSA-N	362.470	2.176	10	10	FECE	
CC1CCN(c2ccc(CNC[C@H](O)CC3(O)CCOCC3)cc2)CC1	872199700	BEXMRPCPLJBDTM-HXUWFJFHSA-N	362.514	2.305	10	10	FECE	
CC(C)(C)OC(=O)N1CC(OCCC(=O)NCc2ccccc2O)C1	777419938	OKXGZAAEPGSGOZ-UHFFFAOYSA-N	350.415	2.034	10	10	FECE	
O=C(Nc1cccc(N2CCOCC2)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2	778638131	SGJUFXFXNCPXJU-UHFFFAOYSA-N	371.349	2.412	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(O)ccc1[N+](=O)[O-]	788290034	KDFRXDITZXUXNM-UHFFFAOYSA-N	357.366	2.067	10	10	FECE	
CC1(C)CO[C@H](CCNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1	897485568	IIKFDEBNEBQFJT-GOSISDBHSA-N	373.497	2.224	10	10	FECE	
CC1=C[C@H](C)CN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1	797435014	JHACASYFLIBBHT-YJBOKZPZSA-N	370.497	2.496	10	10	FECE	
CN[C@@H]1C(=O)Nc2cc(N(C)CC3CSC3)c(Br)cc21	718288746	YAOIHDBUWDPROG-ZDUSSCGKSA-N	356.289	2.461	10	10	FECE	
COc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2CO)c(O)c1	2116266983	QOPRTBLZALDDGI-GDBMZVCRSA-N	366.458	2.108	10	10	FECE	
CO[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2127464723	ZAPVMCBSOMIRPK-STQMWFEESA-N	367.450	2.465	10	10	FECE	
NS(=O)(=O)Cc1cccc(C(=O)NCc2c(O)ccc3ccccc23)c1	1179028827	DNJMALRLLXNGSE-UHFFFAOYSA-N	370.430	2.264	10	10	FECE	
C[C@@]12CN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C[C@@H]1[C@@H]1C=C[C@H]2C1	1324510235	YCGKLLPTLLJWHY-IPTNHLRFSA-N	362.451	2.048	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H]2CCOC[C@H]2C)cc1	1323319278	LPFGKMQSNOJUBP-QAPCUYQASA-N	361.486	2.032	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)COc3ccc(N)cc3)C[C@@H]21	2132357322	QFWGZZQHOHLULT-BBRMVZONSA-N	361.442	2.115	10	10	FECE	
O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2	2132414026	SORBGEWQBUOIKM-HOCLYGCPSA-N	354.406	2.150	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1	1437380345	CPSRQFJBAFMLML-MRXNPFEDSA-N	373.497	2.381	10	10	FECE	
COC(=O)c1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1	1288330208	KYBCHEMUHVZGMB-UHFFFAOYSA-N	367.449	2.155	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CC2)n1CCNC(=O)C1CC1	1517147829	MOPXAZHJNMJHFZ-UHFFFAOYSA-N	355.442	2.024	10	10	FECE	
COc1ccc(C(=O)NCc2cc(O)ccc2O)nc1Br	1455356878	MFLOVCRJNKNKPF-UHFFFAOYSA-N	353.172	2.194	10	10	FECE	
CN(Cc1ccccc1O)C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1	1545501359	SDPMMJZFSCDCLH-UHFFFAOYSA-N	353.338	2.153	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cn(CC(=O)C(C)(C)C)nn1	1627026459	KHEQJEMXUGVHDQ-UHFFFAOYSA-N	365.430	2.015	10	10	FECE	
COc1ccc(CNC/C=C\CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1C	1568865823	MBXUTAYYJQSRGT-NMBNSIPYSA-N	354.454	2.292	10	10	FECE	
CNS(=O)(=O)CC(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1	1566846337	SCODSZFKMNJVGR-CQSZACIVSA-N	362.451	2.031	10	10	FECE	
O=C(c1cc(O)cs1)N1C[C@H](O)C[C@H]1c1n[nH]c(-c2ccccc2)n1	1653255670	XAWXSVHCSMBYSE-YPMHNXCESA-N	356.407	2.187	10	10	FECE	
O=C1COc2cc(C(=O)NCCc3ccc(O)c(O)c3)c(Cl)cc2N1	1595751386	HTTJOKYEKOLDDA-UHFFFAOYSA-N	362.769	2.055	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCc1c(O)ccc2ccccc12	1597742826	PLNUDCLPQFREHV-CQSZACIVSA-N	374.437	2.437	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCn2ccnc2C1	1693458468	NSSXIODXXHWHLH-HNNXBMFYSA-N	352.442	2.388	10	10	FECE	
Cc1cc(C)c(O)c(CN2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)c1	164343620	SMGQTZHZYVJMPT-FQEVSTJZSA-N	361.530	2.236	10	10	FECE	
COC(=O)[C@H]1CN(C(=O)c2cc(C)n(-c3ccccc3)c2C)C[C@@H](C)O1	157891723	MLTUESBVUNBXJF-RDTXWAMCSA-N	356.422	2.497	10	10	FECE	
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC[C@H](CN=[N+]=[N-])C2)CC(O)C1	1879106701	JYRWJJIGASGKFS-SFYCDEOASA-N	367.450	2.344	10	10	FECE	
CN(C)c1ccc([C@@H](CN)N2C[C@H]3[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1	1882065782	KJTLMYIYPIJTSP-XDNAFOTISA-N	360.502	2.207	10	10	FECE	
CC(C)(C)OC(=O)NCc1n[nH]c(=NCc2cc(Cl)ccc2O)o1	2024247914	WZFTYUPFYRSICY-UHFFFAOYSA-N	354.794	2.487	10	10	FECE	
CNC(=O)CN(Cc1ccccc1)c1ccc(C=CC(=O)O)c([N+](=O)[O-])c1	2188577212	RIIQXGUCQONEKO-UHFFFAOYSA-N	369.377	2.445	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C2CC2)CC[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1	2049784882	SBJOWTDVQWMYCP-CYUUQNCZSA-N	350.459	2.430	10	10	FECE	
C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)c1cc(O)ccc1O	2052722817	RTLQFNRIFOJVET-PJODQICGSA-N	352.431	2.119	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1	2060633840	RXARDOGNZKSPSA-QWHCGFSZSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1CN=[N+]=[N-])C1(O)CCC1	2067738951	DCDBFFFTRYGCHX-RYUDHWBXSA-N	353.423	2.096	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)N3CC[C@@H](N=[N+]=[N-])C3)O2)C1	2084600148	IBWDWKDURIUROM-VXGBXAGGSA-N	351.407	2.066	10	10	FECE	
CCN[C@@H](c1ccc2c(c1)CCN2C)C1(O)CN(C(=O)OC(C)(C)C)C1	2106854241	AQPXQAISVXOISD-KRWDZBQOSA-N	361.486	2.311	10	10	FECE	
CN1CCc2cc([C@H](N)[C@H](O)C3(N(C)C(=O)OC(C)(C)C)CC3)ccc21	2107750037	UOVINXMUYMALOD-IRXDYDNUSA-N	361.486	2.439	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CCCNC(=O)COc2ccc(N)cc2)C1	2114835133	JNEGRZTYTDHXET-UHFFFAOYSA-N	363.458	2.411	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-]	2218741745	BGTKFRMIPRVGOW-WUHRBBMRSA-N	353.423	2.094	10	10	FECE	
Cn1nc(CNC(=O)OC(C)(C)C)cc1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2225801474	VGQKALWGWXHGFQ-NEPJUHHUSA-N	363.422	2.406	10	10	FECE	
CC(C)(C)OC(=O)N1CC(F)(F)[C@](C)(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1	2263719843	GVVQDYVKPVZWCH-MMPTUQATSA-N	360.401	2.144	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)NCCCOC1CCOCC1	2297640262	DFAORKOOWYPVES-UHFFFAOYSA-N	374.481	2.238	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H](O)C1(C)C	2315988448	IKPKDPLPFRGCMP-ZBEGNZNMSA-N	355.439	2.200	10	10	FECE	
CN(C(=O)COc1ccc(N)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F	2343634311	OUPIHQBPQBZYGO-LSDHHAIUSA-N	367.421	2.063	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)NC[C@@H](C)N3CCOCC3)cc2)CC1	108552210	ZUBUHBYJGUSVBR-GOSISDBHSA-N	374.529	2.443	10	10	FECE	
C[C@@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1O)N1CCOCC1	101786471	DCWAGFUWMULSIY-INIZCTEOSA-N	373.453	2.418	10	10	FECE	
Cc1cc(C(=O)NC[C@H]2CN(C3CC3)CCO2)c(C)n1-c1ccccn1	127599306	QXKFKVTWBVPLQZ-KRWDZBQOSA-N	354.454	2.082	10	10	FECE	
CC(C)c1nnc2n1C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)CC2	181736657	NTZXQZWWLLYLOS-HNNXBMFYSA-N	356.474	2.282	10	10	FECE	
O=C(NCCc1ccccc1)N1CCN(c2ccc3c(c2)OCO3)CC1	244063309	TZYXXAISEALFDR-UHFFFAOYSA-N	353.422	2.490	10	10	FECE	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H]2CCCN(c3ncccn3)C2)c1	273407031	OQMSJTNUWFQPKX-UKRRQHHQSA-N	356.426	2.288	10	10	FECE	
Cc1ccc(CNC(=O)[C@H](N)CP(C)(C)=O)c(O)c1Br	2381132291	YZYLSTAVKKNFIK-SNVBAGLBSA-N	363.192	2.029	10	10	FECE	
C[C@H]1CN(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)C[C@H](C)O1	805134465	AFARBGBEHADSAK-IUCAKERBSA-N	369.270	2.143	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCCS(=O)(=O)C1	293323426	RFAFPAAEQGJIQT-INIZCTEOSA-N	352.500	2.316	10	10	FECE	
CC(C)(C)C(=O)NCCNC(=O)NCc1cc(Br)ccc1O	805074191	DMEJABIZSZUIDP-UHFFFAOYSA-N	372.263	2.116	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CCCN3C(=O)C(C)C)C2)cc1	819584136	ZCLQMVHJPKHKMR-LPHOPBHVSA-N	373.497	2.285	10	10	FECE	
CC(C)OC[C@H](O)CNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	818965480	ASXKTVUXDGXBGZ-YQQAZPJKSA-N	354.466	2.315	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCC(n3cc(C(=O)O)nn3)CC2)cc1	901524513	ORTQSLSVNJWDJT-ONEGZZNKSA-N	355.442	2.393	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](CC1CCOCC1)C(=O)O	909043943	YQQBINQEMFZWNA-KRWDZBQOSA-N	363.458	2.130	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1	838486577	PLOSMPQREHNVIX-MISYRCLQSA-N	371.481	2.134	10	10	FECE	
Cc1cc(CC(=O)N2CCN3C(=O)CC[C@H]3C2)c(C)n1-c1ccccc1	831503283	DPKCELAICWPRRK-IBGZPJMESA-N	351.450	2.470	10	10	FECE	
Nc1ccc(NC(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)cc1	841300632	YFJQBJHTMAVQSB-XJKSGUPXSA-N	366.421	2.310	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)c3cnn(C4CC4)c3N)C2)cc1	911275914	JSZFIQLMRHQPNI-ZDUSSCGKSA-N	355.442	2.065	10	10	FECE	
Cn1c(CNCc2ccc(N3CCC(O)CC3)c(F)c2)cnc1Cl	848530294	YLEYGCUFDACEQU-UHFFFAOYSA-N	352.841	2.464	10	10	FECE	
C[C@@H](NC(=O)C(=O)N[C@@H]1CNc2ccccc2C1)c1ccc(N(C)C)cc1	846342767	HCGKESSWHABYDE-PBHICJAKSA-N	366.465	2.083	10	10	FECE	
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCCc2cc(CN)ccc21	843349644	HMJMLABSGMNAFJ-PBHICJAKSA-N	358.486	2.302	10	10	FECE	
CN1CC[C@@H](C(=O)NCc2cc(Cl)ccc2O)[C@@H](c2cnn(C)c2)C1	849605802	JXJAJWWGDZHYTB-HZPDHXFCSA-N	362.861	2.131	10	10	FECE	
COC(=O)CN(C)CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C	741535071	PRNYAISXBJNKDY-UHFFFAOYSA-N	358.394	2.110	10	10	FECE	
Brc1cnc(CNCc2ccc(N3CCOCC3)cc2)[nH]1	921582172	QPPOXWHBZVFLBP-UHFFFAOYSA-N	351.248	2.299	10	10	FECE	
CN1CCN(c2ccc(CNCc3ccc4oc(=O)n(C)c4c3)cc2)CC1	858294515	OOCBWKKOIAFRIB-UHFFFAOYSA-N	366.465	2.173	10	10	FECE	
COCCn1c([C@@H]2CCC[C@H](O)C2)nnc1N(C)Cc1ccccc1O	1523387724	HQBSZHSBZWSKSU-ZBFHGGJFSA-N	360.458	2.285	10	10	FECE	
CCN(CCC(N)=O)C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1	928829772	WBNIGMFUQXSXIU-UHFFFAOYSA-N	355.438	2.173	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H](N)c3ccc(F)cc3F)C2)cc1	852900476	MQDHXBVCOLONFY-FZKQIMNGSA-N	361.392	2.368	10	10	FECE	
C[C@@H](N[C@H]1CCN(C2CCC2)C1=O)c1ccc(N2CCOCC2)c(F)c1	858602516	AUBPHOYYRZOAMA-KDOFPFPSSA-N	361.461	2.466	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC(C)(C)c3nc(C)no3)C2)cc1	854298005	UNMBZOJSBZPMID-CYBMUJFWSA-N	359.430	2.200	10	10	FECE	
CCON(CC)C(=O)CNC(=O)NCc1cc(Cl)cc(Cl)c1O	858708316	DZCGEXOSUBPVQJ-UHFFFAOYSA-N	364.229	2.298	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)c1cn([C@H]2CCCNCC2)nn1	852861005	XZRRAKLZCFSJPK-SFHVURJKSA-N	368.485	2.123	10	10	FECE	
CN1C(=O)C[C@H](C(=O)NCc2cc(Cl)ccc2O)[C@H]1c1cccnc1	862131360	ZHJZATCIDVBQPZ-WMLDXEAASA-N	359.813	2.276	10	10	FECE	
CCc1cc(CC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n(C)n1	930742996	ACZVFRSOHHDYLY-OAHLLOKOSA-N	356.470	2.239	10	10	FECE	
O=C1[C@H]2CCCN2C(=O)N1Cc1ccc(N2CCN(CC3CC3)CC2)cc1	761927103	DQOAECKZMQSGEM-LJQANCHMSA-N	368.481	2.145	10	10	FECE	
COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1cc2c(cc1O)CCCC2	768461897	HFLLUQINEXXSOD-PSBWJHGTSA-N	373.449	2.196	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCO[C@@H](COC(C)C)C2)c([N+](=O)[O-])c1	770229674	WGQPQAAEVIIKJY-ZQMJAJRESA-N	364.398	2.411	10	10	FECE	
CCOC(=O)c1cnn2c(O)c(Cc3ccc([N+](=O)[O-])cc3)c(C)nc12	71474178	HXMIPKLLWCEQDH-UHFFFAOYSA-N	356.338	2.419	10	10	FECE	
C[C@H]1CN(Cc2ccccc2)C[C@H]1CNS(=O)(=O)Cc1ccc(N)cc1	708510817	MDELQXQOTIQUMU-QFBILLFUSA-N	373.522	2.456	10	10	FECE	
O=C(CCN1CC[C@H](F)C1)N(Cc1ccccc1O)C[C@H]1CCCO1	1137727392	ILRGGKUJVLHLDZ-DLBZAZTESA-N	350.434	2.334	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3nccn3C(C)C)CC2)cc1	1136454267	RDGKUPZGAFFSJM-UHFFFAOYSA-N	371.485	2.025	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)OCC(=O)N2	797617108	KSGQREBQZPTJBC-JTQLQIEISA-N	357.366	2.181	10	10	FECE	
C[C@@](NC(=O)c1cc2cc(O)c(O)cc2s1)(C(N)=O)c1ccccc1	1149908864	OZTRIQCYOFUTRF-SFHVURJKSA-N	356.403	2.443	10	10	FECE	
C[C@@H]1C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)N(C(=O)OC(C)(C)C)C1	2124308397	PNMOIZMYWONDQR-OCCSQVGLSA-N	364.442	2.402	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(C(=O)N3CCC(N=[N+]=[N-])CC3)(CO1)C2	2124542911	KYUUHSUGBQJPIZ-UHFFFAOYSA-N	365.434	2.362	10	10	FECE	
C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(O)c(O)c(O)c1	2132405363	YVDRVIMNYFWDNO-WDEREUQCSA-N	366.414	2.273	10	10	FECE	
COc1cccc(O)c1CN[C@]1(CO)CCCN(C(=O)OC(C)(C)C)C1	2133752493	BDYXCEVCEZUQMZ-LJQANCHMSA-N	366.458	2.252	10	10	FECE	
Cn1ccnc1CNc1ccc(C(=O)NCc2ccc(O)cc2O)cc1	1299581304	ZRBBSCHAKWSCNW-UHFFFAOYSA-N	352.394	2.373	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](CO)[C@H](O)c2cccnc2)cc1	1454668350	JTDMCNISWCVOSA-VQTJNVASSA-N	365.433	2.313	10	10	FECE	
Cc1ccc(CN2CCOCC2)cc1NC(=O)Cc1ccc(O)c(O)c1	1628311997	HEXXYHRIQHTNRY-UHFFFAOYSA-N	356.422	2.420	10	10	FECE	
Cc1ccc(NC(=O)c2cccc(O)c2O)cc1S(=O)(=O)NC1CC1	1628322654	GPMDJRGILGVLFN-UHFFFAOYSA-N	362.407	2.099	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(-c2ccccc2)c1N	1556158090	RPRFMDFITUDJLH-GFCCVEGCSA-N	352.394	2.227	10	10	FECE	
O=C(NN1Cc2ccc(Br)cc2C1=O)c1cccc(O)c1O	1640748079	GBCSAECBJNETQH-UHFFFAOYSA-N	363.167	2.161	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2cc(=O)c(O)co2)c1	1640006591	PYQQIGYKIGMUKM-UHFFFAOYSA-N	366.373	2.495	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCN2C2CCCC2)N(C)C)cc1	1648477844	GVZMIYYYNPYJIN-WOJBJXKFSA-N	358.530	2.488	10	10	FECE	
CCOC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)c2ccc(O)c(O)c2)c1	1865752674	VDXSGLRGSMJPCO-UHFFFAOYSA-N	361.306	2.444	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@@H](O)[C@H]3CCCN3C(=O)OC(C)(C)C)ccc21	1892332246	NYTULLNDCJGEHU-KURKYZTESA-N	361.486	2.439	10	10	FECE	
CNCc1ccc(N2CCC[C@@H](S(C)(=O)=O)C2)cc1Br	394286681	KRWFCTALPCMSMD-CYBMUJFWSA-N	361.305	2.182	10	10	FECE	
COC[C@]1(C(=O)N(C)CCCN=[N+]=[N-])CCN(C(=O)OC(C)(C)C)C1	2060611897	ZLUNQWCLTMZDRB-INIZCTEOSA-N	355.439	2.419	10	10	FECE	
CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)Nc2ccc(N)cc2)C1	2106703315	OBDMWABFLDZPOC-CABCVRRESA-N	364.446	2.415	10	10	FECE	
CCN1CCc2cc([C@H](N)[C@H](O)[C@@H]3CCN3C(=O)OC(C)(C)C)ccc21	2106859365	IKRRGBLXPYHJIN-OKZBNKHCSA-N	361.486	2.439	10	10	FECE	
COc1cccc(O)c1CNc1cnn(C)c1I	2254140469	RPXRDNBRHFOVJA-UHFFFAOYSA-N	359.167	2.351	10	10	FECE	
Nc1ccc(CCC(=O)N2CC(COCc3ccccc3)(C(=O)O)C2)cc1	2284182953	KWVGHKPXMSGIPL-UHFFFAOYSA-N	368.433	2.331	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1C[C@H]2OCCC[C@H]12	187408228	UFBBHCFNUSPBKR-QGPMSJSTSA-N	363.433	2.029	10	10	FECE	
CCOc1ccc(O)c(CNCc2ccc(S(=O)(=O)N(C)C)cc2)c1	237052448	IBVDTSGMDNTATJ-UHFFFAOYSA-N	364.467	2.331	10	10	FECE	
COC(=O)c1cncc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1	543880859	GLJCBDIINVSINK-UHFFFAOYSA-N	356.382	2.365	10	10	FECE	
CC(=O)C(=O)CSc1nnc(COc2ccc(C(C)(C)C)cc2)n1N	289516085	CTIIRMRTLJHSRD-UHFFFAOYSA-N	362.455	2.119	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@@H]2CCC(=O)NC2)C1	809018244	UMQUJIDCUDQBRI-OAHLLOKOSA-N	369.465	2.230	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)CCOc1ccc(N)cc1	2162969484	QCAKSZVXPNDKII-AAEUAGOBSA-N	373.375	2.096	10	10	FECE	
COc1ccc(N2CCN(C(=O)COC(=O)C3(CCF)CC3)CC2)cc1	811340283	WFYRLWVPRXQKJA-UHFFFAOYSA-N	364.417	2.027	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1CC(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2131406035	QYHFZJNBKNCVTC-MELADBBJSA-N	367.450	2.465	10	10	FECE	
CCOC(=O)c1cc(NS(=O)(=O)c2c(C)nn(C)c2Cl)ccc1O	830018339	IQFYNLFJRVDEKP-UHFFFAOYSA-N	373.818	2.065	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H]3C[C@H]4CC[C@H]3C4)cc2)C1	738983552	GPFOPKOHOHQKOP-BMFAXAFESA-N	370.497	2.376	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc(-c4ccn(C)c4)[nH]n3)CC2)cc1	847286735	ZFHUBAKYALLEAY-UHFFFAOYSA-N	365.437	2.386	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@H](C)C(C)(C)C)CC2)cc1	846739408	YVGFZTFSUMJHRZ-CQSZACIVSA-N	361.486	2.331	10	10	FECE	
O=C1CO[C@H]2CCN(Cc3c(O)ccc4oc5c(c34)CCCC5)C[C@@H]2N1	840151338	ADVPBNUDDYMFIS-YOEHRIQHSA-N	356.422	2.107	10	10	FECE	
CS(=O)(=O)C[C@H](O)CN[C@@H](CCc1ccccc1)c1ccccc1O	927026843	RCPHOYCZRARBDL-AEFFLSMTSA-N	363.479	2.061	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H]1CCC[C@H](C)O1	850601020	AJHPNQKTEXRWKD-MAUKXSAKSA-N	361.486	2.175	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@H](CO)c3ccc(F)cc3)C2)cc1	852449643	VKHVTXSMVVKNNK-VQIMIIECSA-N	373.428	2.446	10	10	FECE	
Cn1cnc2cncc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c21	866899753	NHFSSKLHTUMAFO-HNNXBMFYSA-N	366.421	2.495	10	10	FECE	
Cc1cc(C(=O)COC(=O)CN2CCOCC2)c(C)n1-c1ccc(F)cc1	778843522	DQXGWSGXMOIRNY-UHFFFAOYSA-N	374.412	2.291	10	10	FECE	
Cc1cc(C(=O)NC[C@@H](C)S(N)(=O)=O)c(C)n1-c1ccc(Cl)cc1	779273538	KXIOXXUJWIGSLP-LLVKDONJSA-N	369.874	2.154	10	10	FECE	
CN1CC[C@H]2CN(C(=O)c3csc(Cc4ccc(N)cc4)n3)CC[C@@H]21	870982231	MABOKEGZLZYEIK-YOEHRIQHSA-N	356.495	2.482	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)Cn1nnnc1-c1ccccc1	1126083212	WNPPQDHTRROXIG-UHFFFAOYSA-N	350.426	2.031	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)C[C@H]3CC(C)(C)CO3)cc2)CC1	890129514	SWWVBDQXUYIVGT-IBGZPJMESA-N	373.497	2.177	10	10	FECE	
CC1=C[C@@H](C)CN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1	797435013	JHACASYFLIBBHT-QAPCUYQASA-N	370.497	2.496	10	10	FECE	
Nc1ccc(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)cc1	692365130	INAHNUTUVCCVMI-UHFFFAOYSA-N	350.422	2.360	10	10	FECE	
Cc1nnc(N2CC[C@H](C)C2)n1Cc1ccc(N2CCOCC2)c(F)c1	1304816082	AYOSWJCMCLOHOR-AWEZNQCLSA-N	359.449	2.457	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCC(CN=[N+]=[N-])CC2)CO1	2124505086	HJOMQMBYVRFLTP-KBPBESRZSA-N	367.450	2.465	10	10	FECE	
C[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H](C)N1C(=O)OC(C)(C)C	2132402902	GGBVCONSMRPLQF-PHIMTYICSA-N	366.414	2.273	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)CN(C(=O)OC(C)(C)C)C1	2132409620	HAZBNZDIDLNTBE-ZYHUDNBSSA-N	366.414	2.179	10	10	FECE	
CC(C)(C)OC(=O)NCCC1CN(CCC(=O)Nc2ccc(N)cc2)C1	2134802044	LBQLVCCPRBEFMA-UHFFFAOYSA-N	362.474	2.444	10	10	FECE	
COc1cc(OC)nc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)n1	1525762859	UWBMRTHUCHEJGM-CYBMUJFWSA-N	358.442	2.229	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1ccc(CN2C(=O)CSC2=O)cc1	1464607313	HNQIFPIXZFGKGZ-UHFFFAOYSA-N	372.402	2.474	10	10	FECE	
C[C@H]1CCc2[nH]nc(C(=O)NCc3ccc(N4CCOCC4)cc3)c2C1	1543818150	ZETUFTGRRIGFLN-AWEZNQCLSA-N	354.454	2.301	10	10	FECE	
Cc1ccc(O)c(CNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)c1	1557554432	ZCEXGBXEUACCSP-UHFFFAOYSA-N	374.871	2.010	10	10	FECE	
CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(O)c(O)c2)c(Cl)c1	1630273658	SAISGPFAAISMGW-UHFFFAOYSA-N	370.814	2.053	10	10	FECE	
CC(C)CN1CCC[C@H]1C(=O)NCc1ccc(N2CCN(C)CC2)cc1	1636779719	QCUBVHIPVHNCPO-FQEVSTJZSA-N	358.530	2.175	10	10	FECE	
Cc1nc(-c2ncccn2)nc(O)c1CC(=O)N[C@H](C)c1ccccc1O	1648889642	GDFDMLCZOHLISR-LLVKDONJSA-N	365.393	2.073	10	10	FECE	
Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(O)c1O	1570316221	IMAHBDYLUZUIKW-GXTWGEPZSA-N	362.426	2.488	10	10	FECE	
CCNCc1ccc(N2CCS(=O)(=O)C[C@H]2C)cc1Br	233533222	CMSANUSSCFYTBL-LLVKDONJSA-N	361.305	2.182	10	10	FECE	
CC[C@H]1SC(=S)N(CC(=O)Nc2cc(C(C)=O)ccc2OC)C1=O	11635683	SVSJLCOZTIWRIE-CYBMUJFWSA-N	366.464	2.475	10	10	FECE	
C[C@H](NC(=O)NCC1(CCO)CCC1)c1ccc(N2CCOCC2)cc1	151060935	RIYSFUBESAQFNY-INIZCTEOSA-N	361.486	2.436	10	10	FECE	
CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccccc1O	1151885659	AWOYIYQDACNWPM-RISCZKNCSA-N	366.414	2.026	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)N2CC([C@@H]3CCOC3)C2)N(C)C)cc1	899101124	FFUPJEJRRPHWEY-APWZRJJASA-N	360.502	2.033	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)[C@H](N)c1ccccc1O	2004767176	VTSWFDDHYLQAPH-SMDDNHRTSA-N	350.444	2.380	10	10	FECE	
N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N(Cc1ccccc1)C[C@H]1CCCO1	2152216832	IJXXHBAOWMPCLT-MSOLQXFVSA-N	370.449	2.175	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2060634089	VHZOPSDIFRHTND-HSMVNMDESA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2060639792	LVCOSKOTLCRWCR-RWMBFGLXSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1	2060620146	WWJHSIVILIYSNI-QWHCGFSZSA-N	353.423	2.029	10	10	FECE	
CC=CCNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2080880795	OSGGFUMIIVABDE-ZDUSSCGKSA-N	350.415	2.226	10	10	FECE	
C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)CCc1ccc(N)cc1	2106703773	UCYPWTYXDKXNJK-RISCZKNCSA-N	357.376	2.259	10	10	FECE	
C[C@@H]1CCN(C(=O)CCc2ccc(N)cc2)C[C@H]1NC(=O)C(F)(F)F	2106700930	IJTMBTPUMYSAEN-BXUZGUMPSA-N	357.376	2.117	10	10	FECE	
COc1cccc(C=C2C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)c1	2296740739	PQZLDOKYNJTELC-UHFFFAOYSA-N	354.337	2.496	10	10	FECE	
COC(=O)[C@@H](CNC(=O)C=Cc1ccc(N2CCOCC2)cc1)CC(C)C	2297662159	GVTPEUOVKPLNEP-GOSISDBHSA-N	374.481	2.488	10	10	FECE	
C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C=Cc2ccc(O)c(O)c2)C[C@@H](C)O1	2307986682	RUJDLOSTWJVUKP-INMHGKMJSA-N	360.454	2.211	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@]1(COC)CCN(C(=O)OC(C)(C)C)C1	2315992749	QVPFWISRQYWGDB-MRXNPFEDSA-N	355.439	2.419	10	10	FECE	
CN[C@@H](c1ccccc1O)[C@@H]1[C@@H](OC)[C@@H](OC)CN1C(=O)OC(C)(C)C	2333221823	WCEIQMRDEJODJB-NXOAAHMSSA-N	366.458	2.302	10	10	FECE	
C[C@@H](C=CC(=O)N1CCc2cc(O)c(O)cc2C1)NC(=O)OC(C)(C)C	2341196840	OMKJFFOFPVLOMY-LBPRGKRZSA-N	362.426	2.452	10	10	FECE	
C[C@H](NC[C@@H](C)N1CCOCC1)c1ccc(N2CCOCC2)c(F)c1	123301857	NNTDUCOCYRIAOG-CVEARBPZSA-N	351.466	2.034	10	10	FECE	
CC(C)[C@@H]1Oc2ccc(N)nc2N(CCCOc2ccc(N)cc2)C1=O	75259322	ODVWNJCCAIEMMD-KRWDZBQOSA-N	356.426	2.465	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC[C@H]2C(=O)NC2CC2)c([N+](=O)[O-])c1	264883587	DFLGATOYBYJAQH-ZHMISCPASA-N	359.382	2.028	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC[C@@H](CC(F)(F)F)C2)c1	277717158	XTIPKPQNYZLOAO-VIFPVBQESA-N	366.361	2.178	10	10	FECE	
COc1ccc(O)c(CNC(=O)[C@H](F)C2CN(C(=O)OC(C)(C)C)C2)c1	377921420	PLAOBXWETGPVPA-OAHLLOKOSA-N	368.405	2.222	10	10	FECE	
Cc1cc(CCNC(=O)NC2COCCOC2)c(C)n1-c1ccccc1	813566129	YGXXKYJBXCCVNX-UHFFFAOYSA-N	357.454	2.351	10	10	FECE	
NC(=O)[C@H]1CCC[C@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C1	817929274	LUSYQIPMHHSAFZ-JSGCOSHPSA-N	358.467	2.090	10	10	FECE	
CCOC(=O)CN(Cc1ccc(C(=O)OC)cn1)Cc1ccccc1O	823576460	OVFSONBSDSCNPT-UHFFFAOYSA-N	358.394	2.139	10	10	FECE	
C[C@@H](c1ccccn1)N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	588470240	PCSROAPNLAZUGQ-LYASGUKUSA-N	353.422	2.411	10	10	FECE	
CC(C)(C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cnc[nH]1	837710946	WFURFZSRGZWLIG-UHFFFAOYSA-N	364.396	2.119	10	10	FECE	
C[C@@H](NC(=O)c1cc2c([nH]1)CCOC2)c1ccc(N2CCOCC2)cc1	837367028	FDHAZXIWGHVDNV-CQSZACIVSA-N	355.438	2.415	10	10	FECE	
CC1(C)OCC[C@@H]1NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	838644098	DMWOIFGCXLDREP-HNNXBMFYSA-N	369.412	2.168	10	10	FECE	
COc1cc(N2CCN(C/C=C/c3ccc(N(C)C)cc3)CC2)ncn1	835046747	MQOCGSKOWWLCGT-SNAWJCMRSA-N	353.470	2.387	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC[C@H]([C@@H]2CCCN2)C1	844220780	BBZNYNBLUXVNER-ICSRJNTNSA-N	358.530	2.175	10	10	FECE	
C[C@@H](NCC[C@@]1(O)CCOC1)c1ccc(N2CCOCC2)cc1Cl	846193443	IUKHTPMDUCZFRC-RDTXWAMCSA-N	354.878	2.369	10	10	FECE	
COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCc2c(O)cccc2F)cc1	928707804	IRFAKKWEUBLUNU-QGZVFWFLSA-N	372.396	2.461	10	10	FECE	
O=C(C[C@H]1CCCO1)NCc1cc(NC(=O)C[C@@H]2CCCO2)ccc1O	923124891	ULJLNKHQRVXWQG-CVEARBPZSA-N	362.426	2.085	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](n4cccn4)C3)C2)cc1	852449628	VDRNQHSPCVBHAO-RDJZCZTQSA-N	355.442	2.127	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ncc(OC)cc1F	868966498	QIWIYXMBJWNTQR-UHFFFAOYSA-N	362.357	2.140	10	10	FECE	
COc1cc(N2CCN(C(=O)NCC(C)(C)F)CC2)cc(OC)c1OC	868837368	UVTBEOBDUCABNV-UHFFFAOYSA-N	369.437	2.292	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC[C@H]1CN(Cc2ccncc2)CCO1	862535989	BWYFUAAZCNJHTE-NRFANRHFSA-N	354.498	2.447	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2[C@H]3CC[C@H]2CC(F)(F)C3)c1	862493732	FSBGCKYJLWVCHG-QWRGUYRKSA-N	360.382	2.166	10	10	FECE	
Cc1c(Br)cc(C(=O)N2Cc3cccc(O)c3C2)c(=O)n1C	871203421	AFATUQGLKRNUKG-UHFFFAOYSA-N	363.211	2.318	10	10	FECE	
CCOC(CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)OCC	789976476	KNFXLDZIFVGVGF-UHFFFAOYSA-N	364.486	2.301	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCN([C@H]3CCC[C@@H]3O)CC2)c1	781906377	BWYZTQWEOZZSBP-HOTGVXAUSA-N	369.303	2.494	10	10	FECE	
CN1CCCc2cc(CNC(=O)CC[C@@H]3CC[C@@H](C4OCCO4)O3)ccc21	895980903	OUAUJZMEEPDTJB-HKUYNNGSSA-N	374.481	2.386	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(C)nnc1C	1137816646	NDQYJAXOUHPRSQ-UHFFFAOYSA-N	363.801	2.268	10	10	FECE	
C[C@H]1[C@@H](NCc2cc(Cl)cc(Br)c2O)CCS1(=O)=O	708137546	CRWSFGWYJZTVNA-CPCISQLKSA-N	368.680	2.473	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)c2ncc3ccccn23)N(C)C)cc1	1134686748	UYLWQGRPDUQXMQ-GOSISDBHSA-N	351.454	2.433	10	10	FECE	
O=C(NCc1ccc(NC(=O)C(F)(F)F)cc1)c1cc(O)c(O)c(O)c1	216790613	CEHBACCPAQJCNG-UHFFFAOYSA-N	370.283	2.234	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)NC[C@@]12CCCC[C@@H]1C2	1334643536	LHCIXOSMXLIMJT-WBMJQRKESA-N	353.513	2.438	10	10	FECE	
CCc1cc(CC(=O)NCc2ccc(N3CCSCC3)cc2)n(C)n1	1262268505	VJIDTOCLALHLOH-UHFFFAOYSA-N	358.511	2.395	10	10	FECE	
CC(C)(C)OC(=O)NCC1(CCNC(=O)c2cc(O)c(O)c(O)c2)CC1	2132400568	NKWSSPIKJQSZBF-UHFFFAOYSA-N	366.414	2.228	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)CCc3cc(C)[nH]n3)cc2F)CC1	1293090611	XLEQAGLFEWGVDG-UHFFFAOYSA-N	373.476	2.248	10	10	FECE	
CCOc1c(OC)cc(CNC(=O)Cc2ccc(O)c(O)c2)cc1OC	1464545187	LDKMJHGVKSIHHJ-UHFFFAOYSA-N	361.394	2.373	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCCN3CCC[C@@H]3C)CC2)cc1F	1479474668	DGEZEBZHBJOKAE-HNNXBMFYSA-N	364.465	2.150	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)cc1	1622861219	OODJERVLEUVCIU-OAHLLOKOSA-N	357.414	2.370	10	10	FECE	
COc1ccc(CN[C@H](CO)CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1C	1717767323	XDCBHVNZORLZKS-XGXHKWSGSA-N	358.482	2.173	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)[C@@H]1COc2ccc(O)cc2O1	1557122952	LSGNTYICLKJGEB-INIZCTEOSA-N	352.346	2.102	10	10	FECE	
CCOc1ccccc1[C@H](CC(=O)NCc1ccc(O)cc1O)NC(C)=O	1570462553	YJSZHHDIBFMVSQ-KRWDZBQOSA-N	372.421	2.380	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1nn(-c2ccc(F)cc2F)cc1O	1644754412	VWBORBICHOSVDA-UHFFFAOYSA-N	361.304	2.197	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)C1=NN(c2ccc(F)cc2)C(=O)CC1	1595752965	VNAUSCMVOLGYGN-UHFFFAOYSA-N	371.368	2.079	10	10	FECE	
Cc1cc(C)c(O)c(CN2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)c1	164343500	SMGQTZHZYVJMPT-HXUWFJFHSA-N	361.530	2.236	10	10	FECE	
O=C(NCC1CC1)C1(NCc2ccc(N3CCOCC3)cc2)CCCC1	154546453	JJFRLYKPRLYFDX-UHFFFAOYSA-N	357.498	2.452	10	10	FECE	
C[C@@H](O)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2Cl)SC1=S	1858591905	CRTAVEAAMOKAPT-TVNLMNMCSA-N	357.840	2.375	10	10	FECE	
CCOC(=O)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1866121423	PHDUAVQWEPUZOW-SFHVURJKSA-N	361.486	2.349	10	10	FECE	
CC1(C)SC[C@H](C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)NC1=O	1890238579	NOHJDQUDBSSUHK-BHYGNILZSA-N	373.522	2.302	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1cccc(O)c1O)C(F)(F)F	1965231023	BHFSACIYPYCDTA-JTQLQIEISA-N	364.320	2.283	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@H]1CNS(=O)(=O)Cc1ccc(N)cc1	2044239063	DKCJESNAJXZROQ-HNNXBMFYSA-N	369.487	2.088	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2060619941	TULIMJCKEISFFA-NEPJUHHUSA-N	353.423	2.075	10	10	FECE	
Cn1c(C(=O)NCCCCN=[N+]=[N-])cnc1CNC(=O)OC(C)(C)C	2060637296	JORQGJUFXMMLLV-UHFFFAOYSA-N	351.411	2.265	10	10	FECE	
C[C@@H](N=c1nc(CNC(=O)OC(C)(C)C)[nH][nH]1)c1cc(F)ccc1O	2063192656	LQXLCQPINLLNNZ-SECBINFHSA-N	351.382	2.269	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1CC(=O)NCC1(CN=[N+]=[N-])CC1	2067675915	CAOZPCBGIDLGLP-NWDGAFQWSA-N	353.423	2.123	10	10	FECE	
CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)CCOc1ccc(N)cc1	2106721878	GKIVREIJIYGCTD-UHFFFAOYSA-N	363.458	2.363	10	10	FECE	
CN[C@@H](c1ccc2c(c1)CCN2C)[C@H](NC(=O)OC(C)(C)C)C1COC1	2106856508	ZVFBNBJLUQZGTJ-ZWKOTPCHSA-N	361.486	2.479	10	10	FECE	
CCCN(CCS(C)(=O)=O)Cc1cccc(Br)c1O	2113786033	HYJAPSPXLHOIFZ-UHFFFAOYSA-N	350.278	2.411	10	10	FECE	
COc1ccc(N2C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)c(OC)c1	2219648331	YRYYZUPXHKGQLR-OLZOCXBDSA-N	352.431	2.168	10	10	FECE	
C[C@H]1CN(C[C@H]2CCCN2C(=O)C=Cc2ccc(O)c(O)c2)C[C@@H](C)O1	2307986681	RUJDLOSTWJVUKP-HLLBOEOZSA-N	360.454	2.211	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NCc3cccc(F)c3O)CO[C@@H]1C2	2312827656	PUIFCEPQECHGNQ-LBTNJELSSA-N	352.406	2.446	10	10	FECE	
COc1cccc(O)c1CN[C@]12CO[C@H](C1)[C@H](NC(=O)OC(C)(C)C)C2	2334241876	QPVVUIZUIBLAME-NRXGSXMXSA-N	364.442	2.315	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)cc1	119038805	FJJVMEYLXZNHST-UHFFFAOYSA-N	357.366	2.271	10	10	FECE	
Nc1ccc(N(C(=O)C(=O)NC(=O)c2ccccc2N)c2ccccc2)cc1	170388812	AJJGDBNJKVZTJN-UHFFFAOYSA-N	374.400	2.472	10	10	FECE	
CO[C@H]1C[C@@H](CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1	1351384075	IGABPLKZXBSUJI-MAEOIBBWSA-N	361.486	2.031	10	10	FECE	
CCOc1cc(/C=C2/C(=O)N(CCOC)C(C)=C2C(=O)OC)ccc1O	33930905	GDCIWBJDWGPLHK-GXDHUFHOSA-N	361.394	2.110	10	10	FECE	
C[C@H]1CCCN1S(=O)(=O)NCc1ccc(N2CCSCC2)cc1	184909487	XHNDJIYGUBWRNC-AWEZNQCLSA-N	355.529	2.059	10	10	FECE	
COc1ccc(N2CCCN(C(=O)c3ccc4nnn(C)c4c3)CC2)cc1	182994908	WIPUIYVXSONQCP-UHFFFAOYSA-N	365.437	2.329	10	10	FECE	
C[C@H](N[C@@H](C)c1nnnn1C1CC1)c1ccc(N2CCC(O)CC2)cc1	189139089	OWJSWEZZBFPPSR-KBPBESRZSA-N	356.474	2.381	10	10	FECE	
COc1ccc(N2CCN(c3nccc(NCCCN(C)C)n3)CC2)cc1	244062791	TZRZAQJKVCUFMI-UHFFFAOYSA-N	370.501	2.175	10	10	FECE	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1cn(C[C@@H]2CCOC2)nn1	529392003	LZNMQVAPACSWBZ-VIFPVBQESA-N	371.224	2.257	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)c3cccn(C)c3=O)cc2F)C[C@H](C)O1	264113818	PIJSONCZSKMXJQ-KBPBESRZSA-N	373.428	2.068	10	10	FECE	
COc1cc(O)c(CNC[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1OC	282845189	DAKBVFQNZVSZQP-FZKQIMNGSA-N	351.443	2.067	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)c1	282990731	FNSMKFAFBXSUIB-JCKWVBRZSA-N	363.454	2.397	10	10	FECE	
C[C@@H](NC(=O)C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C)c1ccc(N(C)C)cc1	807363909	VVBYZCKRNCNOBW-DJXYKJKZSA-N	372.513	2.061	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCC[C@@H]1CCOC1	807326205	FOOSZXITCGCSOC-GOSISDBHSA-N	373.497	2.178	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)N[C@H]1CCc2c[nH]nc2C1	805200719	FOVHETMJMZPZBF-LBPRGKRZSA-N	365.231	2.235	10	10	FECE	
CC(C)(CNC(=O)c1ccn(-c2ccc(N)cc2)n1)NC(=O)OC(C)(C)C	2162523959	LGIBHFJHXVTNAD-UHFFFAOYSA-N	373.457	2.488	10	10	FECE	
O[C@@H](CNCCCSc1nccs1)COc1ccc2c(c1)OCO2	819063959	QNWYVWAGQRZABC-LBPRGKRZSA-N	368.480	2.384	10	10	FECE	
COc1ccc(N2CCCN(C[C@H](CN)Cc3cnn(C)c3C)CC2)cc1	903885875	LBRKYHGFMDRHFI-SFHVURJKSA-N	371.529	2.067	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)NCc1noc2c1COCC2	914180532	PNHFIWTUYXTMIJ-UHFFFAOYSA-N	356.426	2.347	10	10	FECE	
C[C@H]1[C@@H](N)CCN1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	841843426	IEGOOXZQFMWDRD-XEZPLFJOSA-N	368.428	2.388	10	10	FECE	
COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1c(O)ccc2ccccc12	747829028	BUNPAQFZJGJDBO-FPAYPSAMSA-N	369.417	2.470	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1	926655740	ZIZDUUCBQWYWPC-NEWSRXKRSA-N	361.486	2.477	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C[C@H](O)Cc3ccccc3)C2)cc1	855227478	WZMLFXZPQSPQRF-IEBWSBKVSA-N	354.450	2.384	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(OC)ccc3O)C2)cc1	853737000	XHCMCHWYMRDMDU-HNNXBMFYSA-N	371.437	2.488	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)NC(=O)C3CCCC3)C2)cc1	855233319	XFIRTJLSERKXQS-ZBFHGGJFSA-N	359.470	2.085	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccn(C2CCOCC2)n1	858724076	JQTORMDOMZTGEG-UHFFFAOYSA-N	370.453	2.001	10	10	FECE	
CC(C)CN1N=C(C(=O)NCc2ccc3cccnc3c2O)CCC1=O	862026996	GMFPZVQLIQJFPZ-UHFFFAOYSA-N	354.410	2.191	10	10	FECE	
CC(C)(C)OC(=O)NC1(CNCc2cccc(O)c2O)CCOCC1	696991169	WCCBLXOTZCWUNG-UHFFFAOYSA-N	352.431	2.261	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCN(CC(F)F)C3)C2)cc1	869227906	CVWCPMVSWQAAPS-GJZGRUSLSA-N	367.440	2.367	10	10	FECE	
CNC(=O)[C@@H](NC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1)C(C)C	860287857	PTGGHBJCFDJVDY-FQEVSTJZSA-N	369.465	2.336	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N[C@H](C)c2cc(OC)ccc2O)c1	761983471	RXWLGFKTWWUGNP-DJFZKKHWSA-N	355.394	2.046	10	10	FECE	
COC(=O)c1ccc(N(C)Cc2ccc(N3CCOCC3)cc2)nc1OC	775423960	YFYBMMSPRVBCOW-UHFFFAOYSA-N	371.437	2.350	10	10	FECE	
COC1(c2nnc(N(C)Cc3ccccc3O)n2C[C@H]2CCOC2)CC1	1123128910	PJHBRSGNVYAGBC-CQSZACIVSA-N	358.442	2.292	10	10	FECE	
COC(=O)c1c(CN2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)c2cc(F)ccc2n1C	894899767	ARRVGCADIPUKPQ-LTCOOKNTSA-N	356.397	2.489	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCN(c3cccc(F)n3)CC2)cc1	1141259723	CRUOMOBQMNBPFY-UHFFFAOYSA-N	356.361	2.346	10	10	FECE	
CN[C@H](c1ccccc1O)[C@@](C)(O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	1921958827	ARVVXQHRKBEWKC-MDZRGWNJSA-N	366.458	2.040	10	10	FECE	
C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO)c1c(O)cccc1O	2116272779	FNBBJUKFELAHLW-BFHYXJOUSA-N	366.458	2.366	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCCN3CCC(C)(C)C3)C2)cc1	1312995297	UYBYYJGGZMSUPY-INIZCTEOSA-N	360.502	2.305	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(C2CC2)nn1C	1325319808	QILRLKSTMBTHMO-UHFFFAOYSA-N	369.469	2.351	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@]1(C)COC[C@@H]1NC(=O)OC(C)(C)C	2124376998	OUBMUXDGVRXEIB-KXBFYZLASA-N	364.442	2.280	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCCN(CC(=O)NCC2(CN=[N+]=[N-])CC2)C1	2124505109	HPDLUZFNGKWEEK-ZDUSSCGKSA-N	366.466	2.182	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCC(CN=[N+]=[N-])CC2)C1	2124532994	MYEOEYDXNFZTPH-KRWDZBQOSA-N	367.450	2.297	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)c1cc2c(=O)[nH]c(C)cn2n1	1528390658	GGTRHCRBUILGJV-UHFFFAOYSA-N	354.410	2.479	10	10	FECE	
O=C1NC(=S)S/C1=C\c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1	1084646	GNTYHOAPSXKMBV-SDQBBNPISA-N	356.384	2.319	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@H]1CC(=O)N(c2ccccc2Cl)C1	1471660598	DTDVNFLFZGHBOI-LBPRGKRZSA-N	360.797	2.421	10	10	FECE	
CCC/C=C\[C@@H](O)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	1543070764	RHKITZCHETVMGL-LIXSYLKWSA-N	363.477	2.301	10	10	FECE	
COC(=O)[C@H](CC1OCCO1)NC(=O)c1ccc(-n2c(C)ccc2C)cc1	1558046589	KFGWNQWLXZYSGR-KRWDZBQOSA-N	372.421	2.129	10	10	FECE	
CCc1nnc(N(C)C2CC2)n1Cc1ccc(N2CCOCC2)c(F)c1	1498594408	LFDPWZVNUGHQMO-UHFFFAOYSA-N	359.449	2.463	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)cc1F	1633263191	CGPFJPQZNHQHOH-PBHICJAKSA-N	365.449	2.101	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2C[C@@H]3C[C@H]2CN3c2ccccc2)cc1	1648165465	SLBCHWRELRXUCW-SFTDATJTSA-N	364.493	2.332	10	10	FECE	
NC(=O)CN(Cc1ccccc1)C(=O)c1cc2cc(O)c(O)cc2s1	1585767415	VULDLQNREHHHCB-UHFFFAOYSA-N	356.403	2.440	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)NCc2cccc(C)c2O)N(C(=O)OC(C)(C)C)C1	2139760086	ODOZYYBEGOBLSH-CABCVRRESA-N	364.442	2.341	10	10	FECE	
CCOCc1nnc(N(C)Cc2ccccc2O)n1Cc1cnn(CC)c1	1696251406	LXKOYCHCFBCSHN-UHFFFAOYSA-N	370.457	2.421	10	10	FECE	
CCNCc1ccc(OC[C@H](O)CN2C(=O)c3ccccc3C2=O)c(C)c1	2025439122	ZSIWSNNWUVHKMN-MRXNPFEDSA-N	368.433	2.140	10	10	FECE	
CO[C@@]1(C(=O)O)CCN(Cc2cc(Cl)cc(Br)c2O)C1	708114922	QIFUTWVWCGCBFL-ZDUSSCGKSA-N	364.623	2.484	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CC[C@H](CC(N)=O)C3)ccc(N)c2C1	690717997	VYZRAIWMSHHEPO-CYBMUJFWSA-N	374.485	2.264	10	10	FECE	
CCN(c1ccc(CN)c(Br)c1F)[C@H]1CCS(=O)(=O)C1	387316560	BTEABQQKMULXQQ-JTQLQIEISA-N	365.268	2.060	10	10	FECE	
CO[C@]1(C(=O)N2CCC(N=[N+]=[N-])CC2)CCN(C(=O)OC(C)(C)C)C1	2060617455	NPFHMTPVYMIXNB-MRXNPFEDSA-N	353.423	2.314	10	10	FECE	
CCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N(C)CCCN=[N+]=[N-]	2060616826	GCSPRZRVUYSSFD-OLZOCXBDSA-N	355.439	2.417	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)[C@H](CNCc2ccc(N(C)C)cc2)C1	2098260957	OKMXPTOUJUZIEV-GOSISDBHSA-N	362.518	2.393	10	10	FECE	
[N-]=[N+]=NCCN[C@@]1(C(=O)O)CN(Cc2ccccc2)[C@]2(CCCOC2)C1	2100063298	LRHQJBBRQFDZFX-QZTJIDSGSA-N	359.430	2.165	10	10	FECE	
O=S1(=O)C[C@@H]2CCC[C@@]2(NCc2cc(Br)ccc2O)C1	2201867087	OXJDVFRKJRUOLW-SMDDNHRTSA-N	360.273	2.212	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)NCc2ccccc2O)O1	283292662	SZVAIKQEZKFUBQ-HIFRSBDPSA-N	350.415	2.081	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](O)(CCNCc2cc(F)ccc2O)C1	2208898542	FWJLXQSQUVEIDX-GOSISDBHSA-N	354.422	2.383	10	10	FECE	
CCN1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)C(C(=O)OC)=C1C	2297308048	CJJFIUXAKXLJGL-UHFFFAOYSA-N	361.394	2.405	10	10	FECE	
CCCCOC(=O)[C@H](C)NC(=O)C=Cc1ccc(N2CCOCC2)cc1	2297705496	BYYWCVKSLKHMLX-INIZCTEOSA-N	360.454	2.384	10	10	FECE	
CN1CCN(C=C2SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)CC1	2313609623	KXAVIQOVXPBMMW-UHFFFAOYSA-N	364.452	2.048	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnccc3N(C)C)CC2)cc1F	183876350	FOQRBHZEEUNAPY-UHFFFAOYSA-N	358.417	2.258	10	10	FECE	
Cc1cnn(Cc2cc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)no2)c1	183471008	TWFQTZKMZBLIMB-LBPRGKRZSA-N	356.382	2.000	10	10	FECE	
CN1CCC[C@@H]2CN(C(=O)/C=C\c3ccc(N4CCOCC4)cc3)CC[C@H]21	255435059	MFJOLVBXBISXKJ-HYHBTBHYSA-N	369.509	2.479	10	10	FECE	
CC(C)OC[C@@H](O)CNCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	818965477	ASXKTVUXDGXBGZ-UXLLHSPISA-N	354.466	2.315	10	10	FECE	
COCC[C@@H](COC)NC(=O)NCc1ccc(N2CCSCC2)cc1	811864596	FCCFDQPRGDKYJG-INIZCTEOSA-N	367.515	2.091	10	10	FECE	
Cc1cc(CC(=O)N(C)C[C@@H](C)c2nn[nH]n2)c(C)n1-c1ccccc1	832126084	JJXHQIAVYGQSLZ-CYBMUJFWSA-N	352.442	2.412	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@H](c2ccccc2)[C@](F)(CO)C1	834165884	FQTJVPNUHYRCRR-VRCOPLIQSA-N	357.381	2.438	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@H](C1CC1)[C@@H]1CCCCO1)c1ccc(N(C)C)cc1	848933429	AMVBWVHUKUPAMR-ZOCIIQOWSA-N	373.497	2.394	10	10	FECE	
C[C@H](NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(Cl)cc1O	841749316	CILFXSNPUOHURY-RVPKQNPDSA-N	351.834	2.417	10	10	FECE	
CCN(CC)c1ccc(CNCCCN2CCCS2(=O)=O)cc1F	740004564	QTHBHXNCKGKYAR-UHFFFAOYSA-N	357.495	2.187	10	10	FECE	
CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccc(N3CCOCC3)cc2)C1	843432426	LEYSMMGJUUFNLR-QGZVFWFLSA-N	371.403	2.024	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@H](CCCN(C)C)C1	853749035	KVVWKYPHQSBXFQ-LJQANCHMSA-N	362.518	2.313	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)c2cnnn2C2CCNCC2)cc1F	852804836	IGWCIKXLZJUMMB-UHFFFAOYSA-N	374.464	2.118	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H]3COCCN3C3CCCC3)C2)cc1	855224131	DNLGKXDJNTZUKT-OXQOHEQNSA-N	373.497	2.034	10	10	FECE	
Cc1cc(CC(=O)NCCCN2CCOCC2)c(C)n1-c1ccccc1	854140891	SHDRVZFFOFBXKL-UHFFFAOYSA-N	355.482	2.475	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H]3C[C@@H](C)Cc4c[nH]nc43)C2)cc1	857871583	SJDUOPNFTCMKIC-YEWWUXTCSA-N	354.454	2.479	10	10	FECE	
COCCn1c([C@@H]2CCC[C@@H](O)C2)nnc1N(C)Cc1ccccc1O	1523387715	HQBSZHSBZWSKSU-GDBMZVCRSA-N	360.458	2.285	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCN3C(C)(C)C)C2)cc1	852414583	RFWCZFGKJOGYAE-RDJZCZTQSA-N	360.502	2.446	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O	862028687	HUUZTMKAUZIFRG-NEPJUHHUSA-N	367.327	2.014	10	10	FECE	
C/C=C\C[C@H]1NC(=O)N(Cc2ccc(N3CCC(O)CC3)c(F)c2)C1=O	761096702	DXRGBTDGBKGZSA-RXYHWBRQSA-N	361.417	2.173	10	10	FECE	
O=C(c1ccc(CN2C(=O)CCC2=O)cc1)N1Cc2cccc(O)c2C1	871199530	QWNZMYJVEAAKRS-UHFFFAOYSA-N	350.374	2.197	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)C3(C(F)F)CC3)cc2)CC1	1119604517	ILOSBOVUBJMDIN-UHFFFAOYSA-N	351.397	2.050	10	10	FECE	
CN(Cc1nc(-c2cccnc2)no1)C(=O)/C=C\c1ccc(O)c(O)c1	779518686	ZLUZMWYASKKQRR-ALCCZGGFSA-N	352.350	2.215	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCC(N4CCCCC4)CC3)cc2N1	785752373	BXGATYJDBCFIMP-UHFFFAOYSA-N	360.414	2.380	10	10	FECE	
COC(=O)NC1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1	899018639	XTHTVXDDXSLCNI-UHFFFAOYSA-N	350.396	2.273	10	10	FECE	
CCOC(=O)CN1C(=O)/C(=C/c2cn(C(C)(C)C)nn2)c2ccccc21	790225546	QERCMOXBUDFHRI-XNTDXEJSSA-N	354.410	2.483	10	10	FECE	
Cc1ccc(CNC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)o1	1253701420	OWXSEHTZTITGBJ-UHFFFAOYSA-N	370.453	2.289	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2124539707	YMJGTWVJILXSKY-BFHYXJOUSA-N	367.450	2.465	10	10	FECE	
COc1cccc([S@](=O)CC(=O)NCc2ccc3cccnc3c2O)c1	1299726604	VARHVQLRKRPTJW-AREMUKBSSA-N	370.430	2.373	10	10	FECE	
C[C@@H](NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)c1ccccc1O	1454805210	IJVIITILXZTAJV-GFCCVEGCSA-N	350.378	2.168	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccnc4[nH]cnc34)CC2)cc1F	1465930055	CXJWWGLFBIDXFC-UHFFFAOYSA-N	355.373	2.068	10	10	FECE	
O=C(CN1CCCC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	1465532417	BXXCRFBPHVRZSQ-AWEZNQCLSA-N	353.413	2.469	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)c1ccc(-n2[nH]c(O)nc2=O)cc1	1629960043	XRTJPOCDNSKSFG-UHFFFAOYSA-N	368.393	2.024	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc(CN(C)C)nc3)CC2)cc1	1631277531	VCHVRMWXDJJSGV-UHFFFAOYSA-N	354.454	2.114	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCCn1cccn1	1632701583	JEWCBKAGWQPPSH-UHFFFAOYSA-N	365.817	2.224	10	10	FECE	
CCC[C@](C)(O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1685610044	UFNZHNAIHMGMEP-HKUYNNGSSA-N	350.507	2.206	10	10	FECE	
COC(=O)/C=C\c1ccc(N2C[C@H](C)O[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1	1773003281	YOAPLRISAMTELJ-OVGLELJOSA-N	362.382	2.165	10	10	FECE	
CCNCc1ccc(N(C)[C@H]2CCS(=O)(=O)C2)c(Br)c1	233512274	CBSGQNNBDLLITD-LBPRGKRZSA-N	361.305	2.182	10	10	FECE	
CN[C@H](c1ccccc1O)[C@@H]1[C@H](OC)[C@@H](OC)CN1C(=O)OC(C)(C)C	2140528694	WCEIQMRDEJODJB-YLFCFFPRSA-N	366.458	2.302	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN3CCC(C)CC3)CC2)cc1F	151359587	LNJHFUVTJWPUIN-GOSISDBHSA-N	365.493	2.049	10	10	FECE	
C[C@@H](O)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S	1858591937	DEFXSMHZBJNPTD-TVNLMNMCSA-N	357.840	2.375	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CNCc3ccc(O)c(O)c3O)[C@H]2C1	2055512114	GZZNZWVCBNFNKO-CLLJXQQHSA-N	350.415	2.006	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060633821	RUESYGCSIFROLH-OZVIIMIRSA-N	353.423	2.218	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(C)(C)C	2072687762	HNJBYIQPHQBRGJ-NWDGAFQWSA-N	357.455	2.446	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cc2c(cc1N)OCC(=O)N2	2106706730	UTXXJGKJGCIMHD-LLVKDONJSA-N	362.430	2.045	10	10	FECE	
C[C@@H](CCNC(=O)OC(C)(C)C)N(C)c1cc2c(cc1N)OCC(=O)N2	2106843176	GLQUTBLAVJXVDR-NSHDSACASA-N	364.446	2.339	10	10	FECE	
CCS(=O)(=O)CCN(C)c1ccc([C@H](C)O)c(Br)c1	2114070400	QHNYLTFSVUSPBZ-JTQLQIEISA-N	350.278	2.373	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(O)CCCN(c2ccc3c(c2)OCCO3)C1	2270839118	YWSHOZOYWYKKPU-LJQANCHMSA-N	364.442	2.314	10	10	FECE	
C[C@@H]1O[C@]2(C(=O)NCc3ccccc3O)C[C@@]1(NC(=O)OC(C)(C)C)C2	2265986214	SXBJRHIRHNGADU-NXXSPTCGSA-N	362.426	2.223	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@H]2CCC[C@H]2[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1	2309664840	FUFSSPXQNNYBEV-GFHYGRAKSA-N	350.459	2.191	10	10	FECE	
CCc1ccc(/C=C2\SC(=S)N(CCN3CCOCC3)C2=O)o1	177641049	IZCPHPCRPBOXIA-KAMYIIQDSA-N	352.481	2.375	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC3(CC3)c3ccccc32)c1	172409475	AXJSSLCNMGKVEW-UHFFFAOYSA-N	358.419	2.456	10	10	FECE	
CO[C@H]1CC[C@H]1N(C)C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	1354452789	HGMWYELOECWEPG-MOPGFXCFSA-N	373.497	2.175	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CCCn2ncnc21	177344224	GSVBFVHPHAAOOG-INIZCTEOSA-N	372.498	2.166	10	10	FECE	
Cc1cnn(C[C@@H]2CN(Cc3cc(Cl)cc([N+](=O)[O-])c3O)CCO2)c1	122393122	TVAODQLJXRMDBI-AWEZNQCLSA-N	366.805	2.360	10	10	FECE	
Oc1ccc(Br)cc1CN1CCO[C@H](Cn2cccn2)C1	122145054	RZBKIXSCVOLAGZ-AWEZNQCLSA-N	352.232	2.252	10	10	FECE	
COCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(N2CCOCC2)cc1	125110854	BAFQJYUHAOYEMA-CRAIPNDOSA-N	371.485	2.447	10	10	FECE	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H]1CCC[C@@H]1O	80531384	MQBBRVDHMXHASA-WQVCFCJDSA-N	369.412	2.469	10	10	FECE	
N#Cc1ccc(CN2CC[C@@H](NCc3cc([N+](=O)[O-])ccc3O)C2=O)cc1	192242697	QFLCTNYVYBKWPC-QGZVFWFLSA-N	366.377	2.063	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)Nc1cnn(CC(=O)NC)c1	282716614	VPAHRECGAJHYTL-UHFFFAOYSA-N	359.430	2.169	10	10	FECE	
COCC[C@H]1COCCN1c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-]	292306641	LPCHRYBZMHWYAN-SDQPKGBYSA-N	350.371	2.023	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)NCc3cccc(C)c3)C2)cc1	826872259	JSRVIEANWRCPKA-QGZVFWFLSA-N	367.449	2.015	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNC(=O)N(C)Cc1ccccc1O)C2	824762285	QTLXLCANWZAUPK-IMJJTQAJSA-N	361.442	2.401	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CO1	826823241	YEYSRXPJVAEZFI-VQIMIIECSA-N	372.513	2.195	10	10	FECE	
CC[C@H](O)[C@H](C)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	901286268	GTNLYIDEWALGCH-JXFKEZNVSA-N	359.514	2.242	10	10	FECE	
CO[C@H]1COCC[C@H]1CNC(=O)NCc1cc(Br)ccc1O	836574712	NCEPNCWWMFIQHB-HZMBPMFUSA-N	373.247	2.005	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@@H]3CC[C@H](C(=O)O)C3)CC2)cc1	831072225	MQFKFDJQDMZNKG-LSDHHAIUSA-N	361.442	2.170	10	10	FECE	
CO[C@H]1C(=O)N(C(C)C)[C@H]1C1CCN(Cc2cccc(F)c2O)CC1	581812795	YXWOOGNKCXRXNW-FUHWJXTLSA-N	350.434	2.378	10	10	FECE	
CCCC[C@@H](NC(=O)/C=C\c1ccc(N2CCOCC2)cc1)C(=O)OC	588457733	ZOUQSSOCVLJILE-IBWPDUFMSA-N	360.454	2.384	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1coc(S(C)(=O)=O)c1	844580403	ISEDJQAHBGQQPE-ZDUSSCGKSA-N	364.467	2.419	10	10	FECE	
COc1cc(Br)cc(CN2CCNC[C@@H]2C(F)F)c1O	843124745	MIFIFVJCVSXPDQ-SNVBAGLBSA-N	351.191	2.202	10	10	FECE	
CN1CCN(c2ccc(CNCc3c(C(F)(F)F)cnn3C)cc2)CC1	858211239	MHBBVMZIPANPOE-UHFFFAOYSA-N	367.419	2.481	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C4CC4)C[C@H](C)C3)C2)cc1	854297633	POVBUDNCIWJIPW-IRXDYDNUSA-N	372.513	2.400	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@@H](C3CCOCC3)C2)cc1	929238615	QHEWARXAFLACPW-GOSISDBHSA-N	373.497	2.034	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](C)C(=O)OC(C)C)C2)cc1	852456626	ZQSNOKUUXNIONF-LSDHHAIUSA-N	363.458	2.161	10	10	FECE	
CN1CCN(c2ccc(CN3C(=O)[C@@H]4[C@@H]5CCC[C@@H]5CN4C3=O)cc2)CC1	925080029	PRGXXEYAMGRNRD-QRQLOZEOSA-N	368.481	2.001	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3nc(C(F)F)no3)C2)cc1	923185202	OGEPEELTGLQIGF-JTQLQIEISA-N	367.356	2.094	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)c1cccc(NC(=O)[C@@H]2CCCO2)c1	768917547	NDAWAZFMGVJWLB-KRWDZBQOSA-N	356.378	2.145	10	10	FECE	
Cc1cc(C(=O)CN2C[C@H](C)[C@H](O)C2)c(C)n1-c1ccc2c(c1)OCO2	768767157	BXAHSQMXXUQICJ-YVEFUNNKSA-N	356.422	2.318	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N[C@H]3CCNC34CCC4)CC2)cc1	861572135	MFJVOCZADQPVGV-SFHVURJKSA-N	358.486	2.248	10	10	FECE	
C[C@@H](NCc1ccc(CN2C(=O)CNC2=O)cc1)c1cc(F)ccc1O	866521757	NZJFVVIYANVZDG-GFCCVEGCSA-N	357.385	2.434	10	10	FECE	
C/C=C\C[C@@H]1NC(=O)N(Cc2ccc(N3CCN(CC)CC3)c(F)c2)C1=O	761285558	ZMXLNRRBFXONIR-IVZVJUQRSA-N	374.460	2.354	10	10	FECE	
O=C1N[C@H](Cc2cncs2)C(=O)N1Cc1ccc(N2CCCC2)cc1	871895875	ZVJIIDPIVWNULZ-MRXNPFEDSA-N	356.451	2.406	10	10	FECE	
COc1ccc(NC(=S)NCc2cccc(N3CCOCC3)n2)cc1	774253366	AIIHWQXKNNDHLO-UHFFFAOYSA-N	358.467	2.413	10	10	FECE	
COc1ncc(/C=C\C(=O)N(Cc2ncc[nH]2)c2cncc(C)c2)cn1	1128795301	DUVIPLRCMORCJE-ARJAWSKDSA-N	350.382	2.158	10	10	FECE	
CC[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCOC1	897485993	MSQHRZUJDFQQRE-MJGOQNOKSA-N	373.497	2.224	10	10	FECE	
COCC1(CNC(=O)Nc2ccc(N)cc2)CN(C(=O)OC(C)(C)C)C1	2121531805	MLBWIAGFNBOZJI-UHFFFAOYSA-N	364.446	2.274	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)CC3(C)COC3)cc2F)C[C@@H](C)O1	1334855008	LNGJJILTGGNJPU-OKILXGFUSA-N	350.434	2.482	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3C[C@@H]4CCC[C@H]43)CC2)cc1	1334615044	LDAIEMYAPXFMIZ-GDIGMMSISA-N	371.481	2.085	10	10	FECE	
COc1ccc(O)c([C@@H](C)N[C@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c1	1918713127	CNIHKILRSQKGOS-CHWSQXEVSA-N	366.458	2.422	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)cn2)cc1	1290506210	SLTBEGSWOWNPKU-UHFFFAOYSA-N	354.370	2.333	10	10	FECE	
CS(=O)(=O)c1ccc(NCC(=O)NCc2cc(Cl)ccc2O)cc1	1469876176	DFXLPEFYAPXQQE-UHFFFAOYSA-N	368.842	2.177	10	10	FECE	
O=C(Cc1ccccc1S(=O)(=O)C(F)F)NCc1ccccc1O	1566374187	XRZGFLULBWCFRW-UHFFFAOYSA-N	355.362	2.247	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)NCc1cc(O)ccc1O	1643885196	MPWBRHROASKCOW-SQWLQELKSA-N	362.426	2.217	10	10	FECE	
CC(=O)NCCCn1c(CC(C)C)nnc1N(C)Cc1ccccc1O	1741116369	LYRUQWIRZNRKKV-UHFFFAOYSA-N	359.474	2.345	10	10	FECE	
COC(=O)[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)Cc1cccc(C)c1	1585544000	AZOXHNYIAKJTHD-MRXNPFEDSA-N	357.406	2.097	10	10	FECE	
CCO[C@H](CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1)CN(C)C	1683981864	QGFRQHWUOQFYCM-LJQANCHMSA-N	362.518	2.395	10	10	FECE	
CCN1C(=O)C(=C2C=CN(CCCCS(=O)(=O)O)C=C2)SC1=S	5851418	VZECRTASUUBTQE-UHFFFAOYSA-N	374.509	2.132	10	10	FECE	
CCc1c(OCCOc2ccc(N)cc2)c(=O)ccn1CCCN(C)C	1857913697	UUFRSAWETPLAOJ-UHFFFAOYSA-N	359.470	2.402	10	10	FECE	
C[C@H](NC(=O)C1=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O	1877573988	QYAJSZKCUMPYOO-HZUKXOBISA-N	362.426	2.154	10	10	FECE	
COc1ccc(Br)c(CN[C@H](C)[C@H](C)S(C)(=O)=O)c1O	1970407480	AEBVCYCGNSXPQT-BDAKNGLRSA-N	366.277	2.075	10	10	FECE	
Cc1ccc(CNCC2(CCO)CN(C(=O)OC(C)(C)C)C2)c(O)c1	1972800087	JEWJTHHOJYLNQO-UHFFFAOYSA-N	350.459	2.410	10	10	FECE	
CCCN1C(=O)C(=C2SC(N3CCOCC3)=NC2=O)c2ccccc21	2038109058	BCENLZOVADKGLP-UHFFFAOYSA-N	357.435	2.116	10	10	FECE	
O=C(c1cccc(O)c1O)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21	404168904	SCANVGCGWFTWSR-HKUYNNGSSA-N	368.433	2.213	10	10	FECE	
C[C@H]1N[C@@H](c2cc(Br)cc(Br)c2O)NC1=O	309770841	KKGPKBNLZIXCCY-ALFREKQPSA-N	350.010	2.024	10	10	FECE	
C[C@@H](CS(C)(=O)=O)N(C)c1ccc([C@@H](C)O)cc1Br	688602719	SHAXFQZLVIVNTM-VHSXEESVSA-N	350.278	2.372	10	10	FECE	
CCS(=O)(=O)[C@H]1CCN(c2cc(Br)c(CN)cc2F)C1	2179889592	AZFPKAUZQGZUAG-JTQLQIEISA-N	365.268	2.060	10	10	FECE	
Nc1ccc(CC(=O)N2CC[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cc1	2185512750	NMZTVVXLZHASPR-NHCUHLMSSA-N	365.477	2.313	10	10	FECE	
Nc1ccc(CCNS(=O)(=O)[C@H]2C[C@H](OCc3ccccc3)C2)cc1	2043072456	WTSIKGPGEGJGJG-WGSAOQKQSA-N	360.479	2.479	10	10	FECE	
CC(C)(C)OC(=O)NCC1(NS(=O)(=O)Cc2ccc(N)cc2)CCC1	2044253437	QXKMVLZXKPRVDE-UHFFFAOYSA-N	369.487	2.136	10	10	FECE	
CN(C[C@@H]1COCCN1C(=O)OC(C)(C)C)C(=O)Nc1ccc(N)cc1	2106700906	HZDXUQFHDUFFQL-OAHLLOKOSA-N	364.446	2.368	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN(c1cc3c(cc1N)OCCO3)C2	2106835267	CJTCFBSADXVVEL-STQMWFEESA-N	361.442	2.486	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(C(=O)CCOc3ccc(N)cc3)C[C@@H]21	2107818411	YOVGRSYHWVSWJM-SCAQPMJSSA-N	361.442	2.019	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)[C@H](CNCc2cc(F)cc(F)c2O)C1	2098265960	LWBABSZBPYMWNP-CQSZACIVSA-N	371.428	2.311	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@@H](CN(Cc3ccc(N)cc3)C2)[C@@H]1CO	2230886556	POOXXKHTPNQUNF-LAQRGFTBSA-N	361.486	2.222	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(C)OC[C@@H]1CC(=O)C(=O)C[C@H]1C[C@H](N)C1	2224735601	CITIFOZHXJPCGO-IHRRRGAJSA-N	368.474	2.057	10	10	FECE	
COc1cccc(O)c1CN[C@@]12CO[C@@H](C1)[C@@H](NC(=O)OC(C)(C)C)C2	2266456006	QPVVUIZUIBLAME-IYJAJMOOSA-N	364.442	2.315	10	10	FECE	
COC(=O)CCN1C(=O)C(=Cc2ccc(O)c([N+](=O)[O-])c2)SC1=S	2293139892	CKNQNUYNRAAFDB-UHFFFAOYSA-N	368.392	2.065	10	10	FECE	
CCOC(=O)N1CCN(C=C2SC(=S)N(C3CCCC3)C2=O)CC1	2297471912	UKPCYLAWROFRBB-UHFFFAOYSA-N	369.512	2.405	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)C[C@@H]2OCCC[C@@H]21	2334718941	KZBWWSNNNRQPJW-ZOPJHEKZSA-N	365.434	2.360	10	10	FECE	
O=C(c1ccccc1)N1CCN(Cc2ccc(N3CCOCC3)cc2)CC1	178858866	RNVKDFWHIPEYFD-UHFFFAOYSA-N	365.477	2.481	10	10	FECE	
CC(C)N(C[C@@H](C)O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	119056523	GNZTYMAOWIEHHN-CQSZACIVSA-N	367.465	2.088	10	10	FECE	
COc1cccc(/C=C2/SC(=S)N(N3C(=O)CCCC3=O)C2=O)c1	83295119	PTVPHSLWPQALCP-FMIVXFBMSA-N	362.432	2.351	10	10	FECE	
C[C@@](NCCCN=[N+]=[N-])(C(N)=O)c1ccc(I)cc1	235391078	DCIHQOYDXWGZIA-LBPRGKRZSA-N	373.198	2.282	10	10	FECE	
O=C(N[C@@H]1CCNC12CCC2)N(Cc1ccccc1O)C[C@H]1CCCO1	529360866	UKZDQCPSVBLZSL-SJLPKXTDSA-N	359.470	2.367	10	10	FECE	
CCCNc1cnc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cn1	243765636	QEGQHTZBNMNVOT-UHFFFAOYSA-N	355.442	2.270	10	10	FECE	
Cc1ccc(CNC(=O)[C@@H](N)CP(C)(C)=O)c(O)c1Br	2381132290	YZYLSTAVKKNFIK-JTQLQIEISA-N	363.192	2.029	10	10	FECE	
COc1cc(N)c(N2C[C@H]3CC[C@H]2[C@H](NC(=O)C(F)(F)F)C3)cc1OC	2163160781	PQUXZOIIVAZCFW-WCQGTBRESA-N	373.375	2.322	10	10	FECE	
C[C@@H](N)c1ccc(N(C)CC2(S(C)(=O)=O)CC2)cc1Br	2167825299	JNTHUASMVPORAI-SNVBAGLBSA-N	361.305	2.482	10	10	FECE	
Cn1ncc2c1C[C@H](C(=O)NCc1cc(Br)ccc1O)CC2	804734322	IDHMFAMSLKWTRG-SNVBAGLBSA-N	364.243	2.310	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)N3C[C@H](C)CC[C@@H]3C)CC2)cc1	804317951	UDMATUPSCRZSBA-CVEARBPZSA-N	373.497	2.427	10	10	FECE	
O=C(O)/C=C/c1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)co1	901960886	LCKMAAWGOTZHSY-DUXPYHPUSA-N	374.368	2.283	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CC[C@@H]2CCCCN21	900269310	MQSTXSUBBMWDIG-QFBILLFUSA-N	361.461	2.295	10	10	FECE	
CC(=O)N[C@H](CC(=O)NC[C@H](N)c1ccc(N(C)C)cc1)c1ccccc1	832292930	NKJDLUMSQZLOCX-VQTJNVASSA-N	368.481	2.136	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@H](CO)c1cccnc1	840485015	RGMBJQLUAGTRSV-VQIMIIECSA-N	370.497	2.462	10	10	FECE	
CC(C)O[C@]1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CCOC1	919919220	XJGSSFIIPHPRDB-FQEVSTJZSA-N	359.470	2.446	10	10	FECE	
CC1(C)CN(Cc2ccc(N3CCOCC3)c(F)c2)[C@@H]2COC[C@H]2O1	846117724	GDWICWIQVDFMHQ-QZTJIDSGSA-N	350.434	2.041	10	10	FECE	
Cc1nn(CC2CC2)c(C)c1CC(=O)OCC(=O)c1ccc(O)c(O)c1	845300743	YZFOTIBATTUCBS-UHFFFAOYSA-N	358.394	2.290	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccc([C@@H]2CNCCO2)cc1	850765966	WEUGRIZTWSNNNR-SFHVURJKSA-N	357.410	2.123	10	10	FECE	
CCC1(CO)CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	854299883	SWMQCGNGQJBKOP-MRXNPFEDSA-N	361.486	2.468	10	10	FECE	
COc1cc(CN2CCN(S(C)(=O)=O)[C@H](C)C2)c(O)c(C(C)(C)C)c1	853564507	PZBBDQNAZKGURO-CYBMUJFWSA-N	370.515	2.164	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)NCc1noc(C2CC2)n1	763479196	SBNYDLMNIYGEEA-UHFFFAOYSA-N	373.482	2.500	10	10	FECE	
Cc1nccc(N2CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)n1	761225019	FVAUXIKRRSHFHX-UHFFFAOYSA-N	371.460	2.083	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3C[C@]4(C)CNC[C@]4(C)C3)C2)cc1	861648066	RFSKRLCYNAAILA-ORYQWCPZSA-N	372.513	2.163	10	10	FECE	
CNC(=O)c1cccc(CCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1	773760720	KMOZPWRPMJXBKQ-CYBMUJFWSA-N	356.422	2.137	10	10	FECE	
C[C@H](NC(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1ccccc1O	875747646	RHHVQZGLESJDEQ-BMGDILEWSA-N	359.470	2.396	10	10	FECE	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)CC(N)=O)c2C)cc1	787944731	JKWRURLULPLMOO-UHFFFAOYSA-N	358.394	2.094	10	10	FECE	
CC(C)c1nn(C)cc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2	796870761	WOXKJJIEGWHEPX-UHFFFAOYSA-N	370.453	2.383	10	10	FECE	
COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(F)c1	794596756	PIDKMEHPILIZRZ-UHFFFAOYSA-N	370.314	2.027	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)N[C@@H]3C[C@H]3C3CC3)CC2)cc1	797412664	VFBYSTLPQLKCFX-VQTJNVASSA-N	372.513	2.305	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)[C@@H](OCC)[C@H]3CCOC3)CC2)cc1	1329379432	RMJDBXFJWOHRKQ-LPHOPBHVSA-N	362.470	2.176	10	10	FECE	
CC(C)(C)OC(=O)NCCn1cnc(C(=O)NCc2ccccc2O)c1	2124477464	LBJOERJZQSJSIG-UHFFFAOYSA-N	360.414	2.043	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)NCC[C@@H]1CC[C@H]2C[C@H]12	1351258111	FRINOXGOSFFSLE-RWMBFGLXSA-N	353.513	2.294	10	10	FECE	
O=C(Cn1c(S)nnc1-c1cccs1)NCc1c(O)cccc1O	1472063976	QVKNHXHMGNMKTA-UHFFFAOYSA-N	362.436	2.023	10	10	FECE	
COc1ccc(Cl)cc1[C@H](O)CNC(=O)c1c(F)ccc(O)c1O	1611321794	PNRHUQAOWVFYPR-GFCCVEGCSA-N	355.749	2.362	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(NCc3cccc(O)c3O)(CO1)C2	1922658201	WNESGCZRPPLWAU-UHFFFAOYSA-N	350.415	2.014	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](CO)[C@@H]2CCOC2)c1	1546304408	ILINUMKAJMSJHW-APWZRJJASA-N	356.422	2.034	10	10	FECE	
CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)c1cc2cc(O)c(O)cc2s1	1556576748	ZNQIQDSGOBJGKS-MEBBXXQBSA-N	353.440	2.200	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1ccc(Cl)c(N2CCNC2=O)c1	1637125878	FUWDKFQTBPGMNY-UHFFFAOYSA-N	361.785	2.211	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)c3ccncc3NC(C)=O)C2)cc1	1570565163	KLTQSBDDXVNSNN-HNNXBMFYSA-N	368.437	2.305	10	10	FECE	
CC(C)c1nnc(N(C)Cc2ccccc2O)n1CCN1CCOC[C@H]1C	1760897223	XIQRNPOOOUXANS-MRXNPFEDSA-N	373.501	2.464	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)N3CCCNC(=O)C3)c2C)c1	1675115592	QBOOMWXTFQDYTQ-UHFFFAOYSA-N	354.454	2.434	10	10	FECE	
CC(C)COC(=O)[C@H](C)NC(=O)/C=C/c1ccc(N2CCOCC2)cc1	163809784	TUVDUMFIQYNORD-FSNWXROXSA-N	360.454	2.240	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1ccc(O)c(O)c1	2054397760	LTQVKGRPLNZWKS-YPMHNXCESA-N	350.415	2.473	10	10	FECE	
Oc1cccc2c1[C@H](N=c1[nH]ccnc1I)CC2	2057936001	VHLSAXHIFNFUAU-SECBINFHSA-N	353.163	2.308	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2063391538	RBXIUNLOFIOUIR-MLGOLLRUSA-N	353.423	2.050	10	10	FECE	
CCN(CCN(C)c1cc2c(cc1N)OCC(=O)N2)C(=O)OC(C)(C)C	2106874659	UOOKXELIWCIRAV-UHFFFAOYSA-N	364.446	2.293	10	10	FECE	
C[P@@]1(=O)C[C@@H](NCc2cc(Br)cc(F)c2O)[C@@H](O)C1	2121383107	GSAWSQMBRVMOSO-RMDKCXRXSA-N	352.140	2.119	10	10	FECE	
C[C@H](N[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)c1ccc(O)cc1O	2121674168	SOGRHOOXQKHIDU-ZYIUAKIQSA-N	364.442	2.383	10	10	FECE	
C[C@@H](CNCc1ccccc1O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1	2222493517	WZZZZVZKNDMJHH-LIRRHRJNSA-N	350.459	2.490	10	10	FECE	
O=C(NN1C(=O)C(=Cc2ccc(O)c(O)c2)SC1=S)c1ccncc1	2296557895	WUZQUZWADQBUNP-UHFFFAOYSA-N	373.415	2.039	10	10	FECE	
CC(=O)NCCCN1C(=O)C(=Cc2ccc([N+](=O)[O-])s2)SC1=S	2323888770	IPPJDPHWDGLWKE-UHFFFAOYSA-N	371.465	2.384	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(C1)C[C@@](O)([C@@H](N)c1ccccc1O)CS2	2317526667	IZQFJWQMPKLFOH-KSSFIOAISA-N	366.483	2.250	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)C1=NO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1	2337775784	GCGLVOFRJGTZPL-MRXNPFEDSA-N	366.422	2.301	10	10	FECE	
Cc1nc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)no1	62370875	MFEMICSVTMQASW-GOSISDBHSA-N	371.485	2.330	10	10	FECE	
Nc1ccc(CC(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1	404179763	WZEFHVCTOUYFOT-LEWJYISDSA-N	365.477	2.313	10	10	FECE	
C[C@H](NCC1CCN(CCN(C)C)CC1)c1ccc(N2CCOCC2)cc1	124317474	DMSXEZDFMFIDCH-IBGZPJMESA-N	374.573	2.447	10	10	FECE	
O=C(NCc1ccco1)[C@H]1CCCN1Cc1ccc(N2CCOCC2)cc1	128185744	HVTTUWQNUVXEDS-HXUWFJFHSA-N	369.465	2.397	10	10	FECE	
O=C(CN1C(=O)CSC1=S)N1CCS[C@H](c2ccco2)CC1	219417435	GIGHQRXRLIJANC-NSHDSACASA-N	356.494	2.147	10	10	FECE	
COc1ccc(CNC(=O)[C@H](F)C2CN(C(=O)OC(C)(C)C)C2)c(O)c1	367922861	DKDTWCCNDGTERX-OAHLLOKOSA-N	368.405	2.222	10	10	FECE	
CN1CCC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)C1=O	294779359	RQGMXPJNSWDSHT-RBUKOAKNSA-N	373.497	2.129	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CCn1c(C)c(C)sc1=O	808094209	GDNHXPSRYZNIRU-UHFFFAOYSA-N	355.456	2.424	10	10	FECE	
C[C@@H](NC(=O)C(=O)N1CC[C@@H](c2ccccn2)C1)c1ccc(N(C)C)cc1	807674606	NSIFZPCQKMDDBR-NVXWUHKLSA-N	366.465	2.341	10	10	FECE	
C[C@@]1(NC(=O)C(F)(F)F)CCN(CCCC(=O)Nc2ccc(N)cc2)C1	2162951312	NZEZWKOGWHVKPG-MRXNPFEDSA-N	372.391	2.130	10	10	FECE	
CN(C)c1ccc([C@H](O)[C@@H]2Cn3cnnc3CN2C(=O)OC(C)(C)C)cc1	2163065739	DHMCFPNPJRNELA-RDJZCZTQSA-N	373.457	2.197	10	10	FECE	
C[C@@H](NC(=O)C(=O)Nc1cn(C)nc1C1CC1)c1ccc(N(C)C)cc1	812982551	WKPMFALUHLIOHG-GFCCVEGCSA-N	355.442	2.179	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1CCC[C@@H]2C[C@H]12	827158651	SNMSHPYQPLRQRR-AOIWGVFYSA-N	355.482	2.455	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1	834165881	FQTJVPNUHYRCRR-UHLKUBKWSA-N	357.381	2.438	10	10	FECE	
Nc1ccc(Cc2nc(C(=O)N[C@@H]3CNCCC3(F)F)cs2)cc1	841852196	IEXPKMMRGWNOET-CYBMUJFWSA-N	352.410	2.043	10	10	FECE	
O=C(NCCC[C@H]1CCCN1)NCc1cc(Br)ccc1O	842003683	JKPNWDWOIZETRX-CYBMUJFWSA-N	356.264	2.486	10	10	FECE	
CN(C)c1ccc(/C=C/CN[C@H]2CCN(c3ccc4nncn4n3)C2)cc1	858243500	JLHKEHABKUTZEL-IDOMTICXSA-N	363.469	2.072	10	10	FECE	
CNC(=O)NC[C@@H]1CN(Cc2ccc(N3CCCCC3)c(C)c2)CCO1	859490130	XXDDHNBEAYABFJ-GOSISDBHSA-N	360.502	2.115	10	10	FECE	
O=C(NCCOC1CCOCC1)NCc1cccc(Br)c1O	927504510	RSKMGWQGNPIXLU-UHFFFAOYSA-N	373.247	2.150	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCC3CCN(C4CC4)CC3)C2)cc1	852281783	FXIOYZHPAZUYBP-QGZVFWFLSA-N	372.513	2.448	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Cc3ccc([S@](C)=O)cc3)C2)cc1	855223041	BHXNRVFVBCPRSL-QMTYFTJSSA-N	372.490	2.370	10	10	FECE	
Cc1nc(N)nc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1	865448317	FDJVORRWPBTOGA-UHFFFAOYSA-N	368.363	2.230	10	10	FECE	
O=C1N[C@@H](C[C@H]2CCCOC2)C(=O)N1Cc1ccc(N2CC=CC2)cc1	863506151	ZBDFXRLQAWTAML-AEFFLSMTSA-N	355.438	2.300	10	10	FECE	
O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H]1Cc2ccccc2CO1	863521440	JDRRPNGLTLVJNJ-KRWDZBQOSA-N	352.390	2.298	10	10	FECE	
O=[N+]([O-])c1cc(Cl)cc(CNCCC2CCS(=O)(=O)CC2)c1O	768650210	DUUULOCOEWXZDV-UHFFFAOYSA-N	362.835	2.258	10	10	FECE	
CN(Cc1ccccc1O)C(=O)c1ccc(CNC(=O)C(F)(F)F)o1	860047983	OBOGLBBSKRKRJV-UHFFFAOYSA-N	356.300	2.436	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCC[C@@]2(O)CCOC2)cc1	862129889	WKIRHXGMBFMFFC-OAQYLSRUSA-N	370.449	2.107	10	10	FECE	
O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1O	775287970	GUCJBHJVZCMLHN-UHFFFAOYSA-N	366.351	2.263	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC2CCC=CCC2)N(C)C)cc1	1119820346	MQUTYJDFHCEDGH-LJQANCHMSA-N	372.513	2.087	10	10	FECE	
CC(=O)c1cc(F)cc(CN2[C@H]3CC[C@@H]2C[C@@](O)(c2ccnn2C)C3)c1O	887051100	VKNRLHRBEILYSF-IGOJGBNBSA-N	373.428	2.482	10	10	FECE	
C[C@H](NC[C@H]1COCCN1C(=O)OC(C)(C)C)c1cc(O)ccc1O	394143664	YGBZSALNUIKGTJ-STQMWFEESA-N	352.431	2.384	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)cc1	790670114	AETLRCMDKWKWFN-FUHWJXTLSA-N	365.518	2.490	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cccc(O)c3O)C[C@@]2(C)C1	2118165306	ZLUUDPVKAYXCEU-BUXKBTBVSA-N	362.426	2.427	10	10	FECE	
C[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1CNC(=O)OC(C)(C)C	2132402788	FIYWHISEISYIAG-CMPLNLGQSA-N	366.414	2.036	10	10	FECE	
CN1C(=O)[C@@H](N)c2ccc(N(Cc3ccccc3)[C@H](CO)C3CC3)cc21	1915201519	FKIYKPJIDRZJSG-UXHICEINSA-N	351.450	2.440	10	10	FECE	
CN(C[C@@H](O)COCc1ccccc1)C(=O)CCOc1ccc(N)cc1	1916347291	HRCKXPVBXAXYDP-GOSISDBHSA-N	358.438	2.074	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)NC[C@](C)(CO)OC)CCCC1	1452649192	GZVYFRQIOQLSSM-HXUWFJFHSA-N	360.454	2.042	10	10	FECE	
Cc1cc(C(=O)NCc2ccc3cccnc3c2O)c2c(O)nn(C)c2n1	1299721189	DUIJPFCOJWKSJW-UHFFFAOYSA-N	363.377	2.166	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)c1cc2c(cc1[N+](=O)[O-])OCCCO2	1465954243	NYHYQSDWHXDNHK-UHFFFAOYSA-N	360.322	2.097	10	10	FECE	
CN1CCCc2cc(CNC(=O)[C@@]3(C)Oc4ccccc4NC3=O)ccc21	1464517838	FSSMDRRLBGMZTP-OAQYLSRUSA-N	365.433	2.475	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(CC2CC2)n1C[C@]1(C)COCCO1	1617941184	POFFCYPTVJZMIQ-HXUWFJFHSA-N	372.469	2.378	10	10	FECE	
Cc1ccc(C(=O)N[C@@H](CO)[C@@H]2CCOC2)cc1-n1c(C)cc(C=O)c1C	1567035290	HYVXEUFMOJXBQO-MJGOQNOKSA-N	370.449	2.342	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCc1ccccc1CN1CCCC1=O	1588244126	BLZSUPXRGGGMEL-UHFFFAOYSA-N	354.406	2.079	10	10	FECE	
C[C@@H](N=c1[nH]nc(CCNC(=O)OC(C)(C)C)o1)c1ccc(O)cc1O	2138817517	KKDYLSMHENSORF-SNVBAGLBSA-N	364.402	2.143	10	10	FECE	
COC(=O)[C@H](C)N1C(=O)/C(=C\c2ccc(OC)c(O)c2)SC1=S	6097190	UJISQKAPJLWANG-OTIXFSKASA-N	353.421	2.164	10	10	FECE	
COCCOC[C@H]1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1	1772833513	JTCDDZUJRMCAHH-VOKGJARPSA-N	364.398	2.270	10	10	FECE	
CC(=O)NCCCn1c(CC2CC2)nnc1N(C)Cc1ccccc1O	1690981219	JLCSDRQJLNOURM-UHFFFAOYSA-N	357.458	2.099	10	10	FECE	
CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3O)C2=O)cc1	16309558	HYEXRLOGSDUECS-SDNWHVSQSA-N	351.362	2.125	10	10	FECE	
COc1ccc(N2CCN(c3nc(NC(=O)C(C)(C)C)n(C)n3)CC2)cc1	1869969400	MKJPWVCBHFJVGY-UHFFFAOYSA-N	372.473	2.135	10	10	FECE	
CN(C)c1ccc([C@H](CN)N2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)cc1	1881163465	XAVSLFUPUREXPQ-KSZLIROESA-N	360.502	2.446	10	10	FECE	
NC(=O)c1cccc(N)c1N[C@@H]1CCN(C(=O)OCc2ccccc2)C1	1978883005	BKXVHUJEYFSSMV-CQSZACIVSA-N	354.410	2.191	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCCN=[N+]=[N-])[C@@H](C(F)(F)F)C1	2010393343	QZHUNUWFGWLLMX-BDAKNGLRSA-N	351.329	2.458	10	10	FECE	
O=C1C(=Cc2ccc(F)cc2)SC(=S)N1CCN1CCOCC1	2040489640	OEKFMWJJXHUTAA-UHFFFAOYSA-N	352.456	2.359	10	10	FECE	
CN[C@@H](C)c1ccc(N(C)[C@@H]2CCS(=O)(=O)C2)c(Br)c1	61695846	AUZVTGQYEQODCB-CMPLNLGQSA-N	361.305	2.353	10	10	FECE	
C[C@H](O)c1ccc(N2CC(C)(CS(C)(=O)=O)C2)cc1Br	2173194071	ALGOVEQLNHJQQO-JTQLQIEISA-N	362.289	2.373	10	10	FECE	
CN(C)c1ccc([C@H](CN)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1	2194844750	DGNGWJGSGRVMMR-CJNGLKHVSA-N	372.435	2.143	10	10	FECE	
COCC1(CNCc2ccc(O)cc2O)CN(C(=O)OC(C)(C)C)C1	2057846880	WMKHTZUUAWSMCX-UHFFFAOYSA-N	352.431	2.071	10	10	FECE	
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060636518	YRYNWQWKJZWIQQ-YNEHKIRRSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)COc2ccc(N)cc2)C1(C)C	2106231944	ULLMQDFIPRQXEY-LSDHHAIUSA-N	363.458	2.456	10	10	FECE	
Nc1ccc(OCCCN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1	2106674729	MUGORVGVJQMPBX-ZDUSSCGKSA-N	359.392	2.428	10	10	FECE	
COC(=O)c1cccc(N)c1N[C@@H]1COC[C@@H]1CNC(=O)OC(C)(C)C	2108838407	RERXLPJPIOTBAP-SMDDNHRTSA-N	365.430	2.007	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Nc1c(N)cccc1C(=O)O	2108837029	HECCWAUMXBFTOM-KGLIPLIRSA-N	365.430	2.403	10	10	FECE	
CC[C@@H](C)N1C(=O)C(=CNc2ccc3oc(=O)ccc3c2)C(=O)NC1=S	2296552756	MCTSDDOUOTXNDT-SNVBAGLBSA-N	371.418	2.131	10	10	FECE	
CCCN(CC(=O)OCC)C(=O)C=Cc1ccc(N2CCOCC2)cc1	2297505386	QOZASOQRKROGFG-UHFFFAOYSA-N	360.454	2.338	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2312334513	YWQXAFDMBMYCSL-QNWHQSFQSA-N	353.423	2.406	10	10	FECE	
CC(C)(C)OC(=O)NC[C@](C)(NCc1ccc2c(c1)CCO2)C(=O)O	2324690104	YSEUORLPGBPZIJ-SFHVURJKSA-N	350.415	2.079	10	10	FECE	
C[C@@H](C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-])N1CCN(C(=O)OC(C)(C)C)CC1	2333613148	MSWGXWSTVOISGA-MJBXVCDLSA-N	366.466	2.275	10	10	FECE	
Cc1ccc(-n2c(C)cc(/C=C/C(=O)N3CCO[C@@H](C(N)=O)C3)c2C)cc1	50857021	GGDQTDLSIVWAPH-MBNRZODZSA-N	367.449	2.128	10	10	FECE	
Cc1nn(C)c(Cl)c1S(=O)(=O)NCc1ccc(N2CCCC2)cc1	56053443	NXKZYAONQOKCDU-UHFFFAOYSA-N	368.890	2.461	10	10	FECE	
COc1ccc(N2CCN(C(=O)COc3cccc([C@@H](C)O)c3)CC2)cc1	178214415	VTKZTLFRHJGKGC-MRXNPFEDSA-N	370.449	2.476	10	10	FECE	
Cc1noc([C@H]2COCCN2C(=O)c2cc(C)n(-c3ccccn3)c2C)n1	183757421	KLRXDAONDVBQKX-MRXNPFEDSA-N	367.409	2.394	10	10	FECE	
C[C@@H]1CCCN1S(=O)(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	185006692	UJWUCIGHFQTTGN-ZBFHGGJFSA-N	354.472	2.102	10	10	FECE	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CC[C@@H](CO)C1	245496792	SDBPUMZSZWSXCD-ZIAGYGMSSA-N	369.412	2.281	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(C)(C)C(=O)NC3CCCC3)CC2)cc1	242690043	CWUMSGPQFKVTSQ-UHFFFAOYSA-N	373.497	2.429	10	10	FECE	
COc1ccc(N2CCN(CCN[C@@H]3C[C@@H](C)N(C)C[C@@H]3C)CC2)cc1	268789599	BLDSBADOHBEUDO-WAOWUJCRSA-N	360.546	2.136	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)[C@@H]1CCn2cncc2C1	804732907	DZEWHMRJCZSOBA-SNVBAGLBSA-N	350.216	2.230	10	10	FECE	
CC[C@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(N(CC)CC)cc2)CCO1	817705316	DFCDZTCUTYTLII-WMZOPIPTSA-N	361.486	2.223	10	10	FECE	
Nc1nc(N)c(N=Nc2cccc(I)c2)c(N)n1	725439547	STRNKDOLPFCDCN-UHFFFAOYSA-N	355.143	2.243	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)CS(=O)(=O)NC(C)(C)C)cc1F	731346036	OTMNUAOQISCUBS-UHFFFAOYSA-N	373.494	2.006	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3C[C@@H]4COC[C@@H]4O3)ccc21	831296107	NYRZBWJLABGUPV-HLIPFELVSA-N	372.465	2.438	10	10	FECE	
CN(C)c1ccc(/C=C\CNCC2(N3CCOCC3)CCOCC2)cc1	839165856	RXRGLOJNJCEKHM-ARJAWSKDSA-N	359.514	2.237	10	10	FECE	
COc1cc(Cl)cc(CNC2CCC(N3CCNCC3)CC2)c1O	841086481	ASMZYEKBLQILQQ-UHFFFAOYSA-N	353.894	2.360	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2cc3c(cn2)OCCO3)cc1	844857399	VWFKDWYPUIGGIE-UHFFFAOYSA-N	357.410	2.070	10	10	FECE	
CC[C@@H](NC(=O)CN(CC(=O)O)c1ccc(OC)cc1)c1nccs1	853006578	VVYSLJSGBMPHOP-CQSZACIVSA-N	363.439	2.310	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2c3ccccc3CC[C@H]2CN)cc1	852755972	NYSRWXPJIDPWNM-IBGZPJMESA-N	352.482	2.149	10	10	FECE	
Cc1ccc(/C=C\C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cn1	754043868	QOVHXCVEGCZGGB-TWGQIWQCSA-N	371.462	2.243	10	10	FECE	
CC(=O)c1cc(F)cc(CN2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1O	856544838	TVGYJPJXYDJYKD-DLBZAZTESA-N	371.412	2.084	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc3c(c2)CCOC3)c1	850366369	VZNIUYDXDHQMIM-LBPRGKRZSA-N	370.405	2.289	10	10	FECE	
COC(=O)[C@@H](F)CNC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1	861952499	BJSUKLHOAGXXTP-KRWDZBQOSA-N	360.385	2.076	10	10	FECE	
CN(Cc1cc2c(cc1O)OC[C@@H]2O)[C@H]1CCN(c2ccccc2F)C1=O	768446580	LERWKSQZCAWPLE-WMZOPIPTSA-N	372.396	2.194	10	10	FECE	
O=C1N[C@@H](Cc2cncs2)C(=O)N1Cc1ccc(N2CC=CC2)cc1	871899256	MWZBXPDPDSJMEW-INIZCTEOSA-N	354.435	2.182	10	10	FECE	
CC[S@](=O)c1ccccc1C(=O)N1CCS(=O)(=O)C(CC)(CC)C1	779361220	PUSVFLFIMXWCGX-QHCPKHFHSA-N	371.524	2.244	10	10	FECE	
CCCN(C[C@H]1CCCCO1)C(=O)C(=O)NCc1ccc(N(C)C)cc1	785428050	JNDNCBRVSNEVCQ-GOSISDBHSA-N	361.486	2.177	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ncc(Br)cn1	1138152825	QROZYVYJYZSXCP-MRVPVSSYSA-N	352.188	2.011	10	10	FECE	
Nc1ccc(CCC(=O)N[C@]2(C(=O)O)CCN(Cc3ccccc3)C2)cc1	692364514	GNMXWNJERGILNE-OAQYLSRUSA-N	367.449	2.047	10	10	FECE	
CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)C1	1154768943	BTUAJCULZXXTRU-TZMCWYRMSA-N	350.415	2.014	10	10	FECE	
CCOC(=O)[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(C)C	1304768856	QFIRAIBAUQTDET-QZTJIDSGSA-N	363.502	2.307	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NCc2ccc3c(c2)CCO3)C1	2116264757	GWADJECDFRMLER-DLBZAZTESA-N	362.470	2.329	10	10	FECE	
Cc1cc(CC(=O)N2CC(N[C@@H]3CCOC3)C2)c(C)n1-c1ccccc1	1179008470	LLAYAHHXCWJSFN-GOSISDBHSA-N	353.466	2.226	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](Nc3c(N)cccc3C(=O)O)[C@H]2C1	2121656979	LILIDRZBWZUXLM-XBFCOCLRSA-N	363.414	2.013	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	2124263574	ZDYOWVGBQHFPIA-UBHSHLNASA-N	364.442	2.306	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2124509477	NPABPXSFJUNTHW-IHRRRGAJSA-N	367.450	2.296	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2124513881	RLHNGMCQQPKWSX-YIYPIFLZSA-N	365.434	2.312	10	10	FECE	
CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2CCn1cnnn1	1190935271	RFZPTAFNOZOVTR-UHFFFAOYSA-N	358.446	2.151	10	10	FECE	
O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(Cc2nc[nH]n2)cc1	1441948003	QXOALKBVKOUUQP-UHFFFAOYSA-N	363.421	2.484	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](CO)[C@H](O)c2cccnc2)cc1	1454668351	JTDMCNISWCVOSA-WOJBJXKFSA-N	365.433	2.313	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1cc(F)c(F)cc1N1CCOCC1	1623597625	VXKPHKWFJSVSEY-UHFFFAOYSA-N	364.348	2.394	10	10	FECE	
CC[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H](O)C(C)C	1565453214	VABLRRRJZYQJCO-FHWLQOOXSA-N	364.534	2.450	10	10	FECE	
COc1cccc(-n2cc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)nn2)c1	1567467232	FEXNGWFPYSGIRO-LBPRGKRZSA-N	368.393	2.048	10	10	FECE	
Cc1cccc(CNC(=O)[C@@]2(C)COC[C@H]2NC(=O)OC(C)(C)C)c1O	2139743148	ZOJLPYCUDLIAOD-KUHUBIRLSA-N	364.442	2.247	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CC(n3nc(C)nc3C)C2)c([N+](=O)[O-])c1	1773085592	RTLGHXFOJDTZDX-ALCCZGGFSA-N	357.370	2.051	10	10	FECE	
COc1cc(O)c(CN2CCO[C@H](Cn3nc(C)cc3C)C2)cc1OC	160261794	GRYYOVVNYSLSGF-INIZCTEOSA-N	361.442	2.124	10	10	FECE	
CN(C)c1ccc([C@H](CN)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)cc1	1881662165	WRJXVINFEABPRV-SQNIBIBYSA-N	360.502	2.446	10	10	FECE	
O=S1(=O)C[C@H]2C[C@H](NCc3c(O)cccc3Br)C[C@H]2C1	1974485339	XSDNUPLFGHOAEM-URLYPYJESA-N	360.273	2.068	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C[C@@H](O)CN1C(=O)c2ccccc2C1=O	1989687466	KPFBOLSOGOEARF-ZIAGYGMSSA-N	354.406	2.042	10	10	FECE	
O=[N+]([O-])c1cc(CO)ccc1N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1	2153997937	QHKLLZXSNCSBBH-PMACEKPBSA-N	369.421	2.177	10	10	FECE	
C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1ccccc1O	2060431250	WIESFADWFPLITL-TYNCELHUSA-N	352.431	2.186	10	10	FECE	
CO[C@H](C)[C@@H](CC(=O)N1CC[C@@H](CN=[N+]=[N-])C1)NC(=O)OC(C)(C)C	2060613544	SEHFPUJRCNPPMH-FRRDWIJNSA-N	355.439	2.464	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@H](N=[N+]=[N-])C2)OCC1(C)C	2060636433	XXPHTGVFFXUKTQ-NWDGAFQWSA-N	353.423	2.312	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2060633375	MWTOFYOUELRAPY-RYUDHWBXSA-N	353.423	2.075	10	10	FECE	
CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C1	2060633899	SVOQRIRTEPTKDA-HSMVNMDESA-N	353.423	2.360	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@H]1CCOCC[C@@H]1NC(=O)OC(C)(C)C	2060636756	BDWSHNKZVRCQLN-STQMWFEESA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1CC(=O)NCC1(CN=[N+]=[N-])CC1	2067675918	CAOZPCBGIDLGLP-RYUDHWBXSA-N	353.423	2.123	10	10	FECE	
CN1CCCc2cc([C@@H](N)[C@@H](O)C3(NC(=O)OC(C)(C)C)CC3)ccc21	2106939512	BZQDRSXKTLKUKF-IAGOWNOFSA-N	361.486	2.487	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNCc2cc(F)cc(F)c2O)C1	2098265959	LWBABSZBPYMWNP-AWEZNQCLSA-N	371.428	2.311	10	10	FECE	
O=S1(=O)C[C@H]2CCC[C@@]2(NCc2c(O)cccc2Br)C1	2201871986	KFBLRVITYPXBIO-QMTHXVAHSA-N	360.273	2.212	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCC[C@@H](N=[N+]=[N-])C3)CO[C@H]1C2	2266155194	COBHLXSPUZIEEB-FJZAXULXSA-N	365.434	2.360	10	10	FECE	
CN(C(=O)CN1C[C@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1)c1ccc(N)cc1	2288269256	ZVYCTOBJFCVLEH-VLIAUNLRSA-N	374.485	2.078	10	10	FECE	
CCC[C@H](C(=O)O)N1C(=O)C(=C2C(=O)Nc3ccccc32)SC1=S	2296883082	MTRYWBAIIMGWGI-SNVBAGLBSA-N	362.432	2.463	10	10	FECE	
COc1ccc(O)c(CN[C@]23CO[C@H](C2)[C@H](NC(=O)OC(C)(C)C)C3)c1	2334241153	CIAFSUOYTYNPRD-OGWOLHLISA-N	364.442	2.315	10	10	FECE	
C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(O)c(O)cc2C1	2341195618	CXXBCLXNNMQLMI-ZUZCIYMTSA-N	368.405	2.234	10	10	FECE	
CN(C)c1ccc(CN[C@](CF)(CNC(=O)OC(C)(C)C)C(=O)O)cc1	2349140600	PWZOHCZJOPEORQ-GOSISDBHSA-N	369.437	2.160	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N[C@@H]3CCCn4ncnc43)CC2)cc1	177353315	WHNHKRFMYKUILB-QGZVFWFLSA-N	370.457	2.090	10	10	FECE	
CNC(=O)NC[C@@H]1CN(Cc2cc(-c3ccccc3)ccc2O)CCO1	529645204	XWKYARBWKHNYMW-GOSISDBHSA-N	355.438	2.189	10	10	FECE	
CC(C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccn(-c2ccc(N)cc2)n1	2162520556	GHKMAMZTXCQBJK-UHFFFAOYSA-N	373.457	2.488	10	10	FECE	
COC1CCC(CNC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CC1	803688327	OVQHLGGFCLMIPG-UHFFFAOYSA-N	373.497	2.007	10	10	FECE	
C[C@@H](NC(=O)C(=O)NCc1ccc(Cl)cn1)c1ccc(N(C)C)cc1	806721493	GKPCGKONHVBRJG-GFCCVEGCSA-N	360.845	2.295	10	10	FECE	
CN(Cc1ccc(F)cc1)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	803659223	NEIKYCQVNNRHSB-UHFFFAOYSA-N	361.392	2.306	10	10	FECE	
CNC(=O)[C@@H](NC(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2)C(C)C	649853891	SEQMMUKGLNGIFF-FQEVSTJZSA-N	371.481	2.416	10	10	FECE	
CN(C)C(=O)c1ccccc1NS(=O)(=O)c1cc(F)cc(F)c1O	821144603	HVPZZBRYBGWTRC-UHFFFAOYSA-N	356.350	2.173	10	10	FECE	
COCc1nccc(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)n1	825475818	WBHQPSYBHSCDIZ-ZDUSSCGKSA-N	357.414	2.032	10	10	FECE	
Cc1cc(Cl)cc([C@H](C)NCCS(=O)(=O)N=S(C)(C)=O)c1O	903225241	GHFYQCSWVDLDQO-JTQLQIEISA-N	368.908	2.062	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N1CCO[C@H](C(F)F)C1	588619973	JWYWJJUOIBCSQK-UYZDIKGJSA-N	352.381	2.029	10	10	FECE	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccnn2C2CCC2)c1	914154233	XTUHIUYLYICTNE-LLVKDONJSA-N	351.428	2.362	10	10	FECE	
CCNCc1ccccc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1	841002601	BQTFAUPIJQVWGV-UHFFFAOYSA-N	354.454	2.117	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3CCC(C4(O)CC4)CC3)C2)cc1	845268446	MIOINVWKMPDGKL-MRXNPFEDSA-N	373.497	2.468	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)NC(=O)c3ccccc3)C2)cc1	855228750	FTXABQCHIXDMJK-WBVHZDCISA-N	367.449	2.209	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)NC[C@@]2(OCCO)CCOC2)c1C	855405529	KPPOWYMTMUWGJR-NRFANRHFSA-N	372.465	2.300	10	10	FECE	
CN1CCN(c2ccc(CN[C@H]3Cc4ccccc4N(C)C3=O)cc2)CC1	850352942	NDOGTKMSZDTSSS-FQEVSTJZSA-N	364.493	2.116	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCN2C(=O)OCC[C@H]2C1	763480147	WZEZJVDNCIRUIX-KRWDZBQOSA-N	358.442	2.023	10	10	FECE	
CCC1(CC)CN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CC[S@]1=O	775070075	HNZXYQNSGZFCKJ-XMMPIXPASA-N	356.444	2.432	10	10	FECE	
Cn1ccnc1CN1CCC[C@@H](NCc2c(O)ccc(Cl)c2F)C1=O	790986183	IMMATBBSALLQTR-CYBMUJFWSA-N	366.824	2.199	10	10	FECE	
O=C(O)[C@H]1CC[C@H](C(=O)NCc2ccccc2O)N1Cc1ccccc1	688953947	HYGKHMYWPAWXCR-IAGOWNOFSA-N	354.406	2.126	10	10	FECE	
O=C(NCc1cccc(O)c1O)c1sccc1S(=O)(=O)C(F)F	1153792962	WNEFLJOUFRZPCZ-UHFFFAOYSA-N	363.363	2.086	10	10	FECE	
COc1cccc(CNC[C@@H]2C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c1O	2116205704	MWOCMOFFBRQRJA-CFVMTHIKSA-N	366.458	2.155	10	10	FECE	
Cn1[nH]c(=NC(=O)OC(C)(C)C)cc1C(=O)N1CCC(CN=[N+]=[N-])CC1	2124542299	CBUQEGQLLOIFIP-UHFFFAOYSA-N	363.422	2.352	10	10	FECE	
C[C@@H](N=c1nc([C@@H](C)NC(=O)OC(C)(C)C)[nH][nH]1)c1c(O)cccc1O	2130119558	SAKRHPRSRSIJRL-NXEZZACHSA-N	363.418	2.397	10	10	FECE	
C[C@@H]1C[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)CN1C(=O)OC(C)(C)C	2132406538	IWVFSGXTSVLTSZ-GHMZBOCLSA-N	366.414	2.179	10	10	FECE	
CN(C)c1ccc(CNC(=O)[C@]2(O)CCCN(Cc3ccccc3)C2)cc1	1539049686	LZYOXXLXIPWRSQ-QFIPXVFZSA-N	367.493	2.396	10	10	FECE	
Cn1nc(C(=O)NCc2cccc(O)c2O)cc1NC(=O)OC(C)(C)C	1633515812	RHFDYMRBCSRAHU-UHFFFAOYSA-N	362.386	2.108	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CNCc1ccccc1O)CC1OCCO1	1931297809	RARYTDHUFYWKNF-CQSZACIVSA-N	352.431	2.138	10	10	FECE	
CCOc1ccc(N2C(=O)NC(=O)/C(=C/NCc3cccs3)C2=O)cc1	5512094	NQUSMMFHLOCTJP-PTNGSMBKSA-N	371.418	2.403	10	10	FECE	
COc1cc(O)c(CN2CCNC(=O)C[C@H]2c2ccccc2)cc1OC	159954699	AKSAZGYUSOYLJT-INIZCTEOSA-N	356.422	2.473	10	10	FECE	
CN1CCN(CCNC(=O)CCn2c3c(c4ccccc42)CCCC3)CC1	1850000118	DWEAKTZKUGQDIB-UHFFFAOYSA-N	368.525	2.274	10	10	FECE	
CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3cc(C)[nH]c3C)C2=O)cc1	208735916	KBSMRKSLCGYUDF-YBEGLDIGSA-N	353.378	2.270	10	10	FECE	
CCOc1cc(/C=C2/SC(=S)N(CCNC(C)=O)C2=O)ccc1O	1858586578	BUCKVZJEQBBRBS-NTEUORMPSA-N	366.464	2.128	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H](C(=O)NCc2ccccc2O)O1	1879392567	MERGTAGGGMPOHZ-HOCLYGCPSA-N	364.442	2.471	10	10	FECE	
COc1cc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O)cc(O)c1O	1951855870	NXANECWJGFAKTF-WDEREUQCSA-N	353.371	2.142	10	10	FECE	
COc1cccc(O)c1CN=c1cc2n([nH]1)CCN(C(=O)OC(C)(C)C)C2	2160725675	WCMQHGOJIFERTP-UHFFFAOYSA-N	374.441	2.382	10	10	FECE	
CC(C)(C)OC(=O)N1CCCO[C@H](CNCc2ccc(O)cc2O)C1	389890743	KEWCOQMGQNSRQE-OAHLLOKOSA-N	352.431	2.213	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CCC(=O)NCCc2ccc(O)c(O)c2)C1	860234628	IAEGRVYOMNAHFP-UHFFFAOYSA-N	364.442	2.404	10	10	FECE	
C[C@]12CN(Cc3ccccc3)C[C@H]1CN(C(=O)c1cc(O)c(O)c(O)c1)C2	2188868867	YCUBUNTZXNUGAT-HRAATJIYSA-N	368.433	2.398	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](C(=O)NCCCN=[N+]=[N-])C1CCOCC1	2060614170	ZFVZSXGBJSNAHF-ZDUSSCGKSA-N	355.439	2.371	10	10	FECE	
CCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCCCCN=[N+]=[N-]	2060617143	KGDBKQPVHWBFAU-STQMWFEESA-N	355.439	2.465	10	10	FECE	
CO[C@H]1C[C@@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060610010	CJNUYXQGQQIJLF-AGIUHOORSA-N	353.423	2.170	10	10	FECE	
CO[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccccc1O	2072481895	MHLHFTUPYUKVHK-LALPHHSUSA-N	352.431	2.498	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](CF)(NC(=O)COc2ccc(N)cc2)C1	2106266927	WFSHBDFUHHYYQP-SFHVURJKSA-N	367.421	2.113	10	10	FECE	
C[C@H](NC(=O)[C@]12C[C@](NC(=O)OC(C)(C)C)(CO1)C2)c1ccccc1O	2266014865	NXNMMYMYTAISQB-NXXSPTCGSA-N	362.426	2.396	10	10	FECE	
CCN(CC)c1ccc(C=C2C(=O)N(C)C(=S)N2CC(=O)OC)cc1	2297365562	SHNRTMBRSNTDHI-UHFFFAOYSA-N	361.467	2.106	10	10	FECE	
Cn1cc([C@@H]2CCN(C(=O)C=Cc3ccc(N4CCOCC4)cc3)C2)cn1	2297587021	KCAKXXUAALMQOU-GOSISDBHSA-N	366.465	2.286	10	10	FECE	
CN(Cc1ccccc1O)[C@](CF)(CNC(=O)OC(C)(C)C)C(=O)O	2326338707	UKFAFMYLGCSGGJ-QGZVFWFLSA-N	356.394	2.142	10	10	FECE	
CCCc1cc(N2CCN(c3ccc(OC)cc3)CC2)n2cnnc2n1	6743790	HYXSBHMMKVSJKG-UHFFFAOYSA-N	352.442	2.412	10	10	FECE	
Cc1nonc1/N=N/N(CC(=O)Nc1ccc(F)cc1)c1nonc1C	59501299	VIMGLLRJJKRDPL-OQKWZONESA-N	360.309	2.353	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCc2nc(CC)nn2C1	114977197	ASNLWDNZGCFVRN-HNNXBMFYSA-N	357.458	2.483	10	10	FECE	
CC(=O)N[C@@H](CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1ccccc1	186385377	NZFQKKZMPCUPDA-DYVFJYSZSA-N	356.422	2.413	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C(=O)N2CCc3cc(O)c(O)cc3C2)C1	2366907604	IABLOMVXPDRPII-XOBRGWDASA-N	374.437	2.240	10	10	FECE	
COc1ccc(N2CCCN(C(=O)COCc3cc(C)no3)CC2)cc1	193452273	RPWMQEPJLIIPKR-UHFFFAOYSA-N	359.426	2.247	10	10	FECE	
CCCOc1ccc(CN2CCCC[C@@H]2C(=O)N2CCOCC2)c(O)c1	93014742	AHGMQGIMZMPYAF-GOSISDBHSA-N	362.470	2.394	10	10	FECE	
CCO[C@@H]1C[C@H](N[C@@H](C)c2cc(C(=O)OC)ccc2O)[C@@H]1n1cccn1	815660003	PMLROSVOYLKUHT-HZCDGDGTSA-N	359.426	2.445	10	10	FECE	
COc1ccc(N2CCN(CCNCc3n[nH]c4ccccc34)CC2)cc1	727467739	BSUIQXJJVAPKLW-UHFFFAOYSA-N	365.481	2.483	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCC(N3CC[C@@H](O)C3)CC2)c1	827700216	QBTGMSJZDNZVRG-OAHLLOKOSA-N	369.303	2.494	10	10	FECE	
Cc1cc(CC(=O)N(C)CCN2CCOCC2)c(C)n1-c1ccccc1	825536910	OPUODLCASZOAHP-UHFFFAOYSA-N	355.482	2.427	10	10	FECE	
CCOCCCN1CC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)[C@@H](C)C1	588404783	SHUKSGZBGYLOLR-ZEXGLFEZSA-N	362.470	2.364	10	10	FECE	
CCc1ncc(S(=O)(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)s1	849416615	TXCPGYVQPFPOJH-GFCCVEGCSA-N	367.496	2.271	10	10	FECE	
Cc1cc(O)c(CN2CCCN(S(=O)(=O)C3CC3)CC2)c(Cl)c1	840943347	OELZIPAKVAMSKU-UHFFFAOYSA-N	358.891	2.354	10	10	FECE	
CC(C)[C@H](C)CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	740473369	LSWZIRHXLMDEKE-NVXWUHKLSA-N	360.502	2.480	10	10	FECE	
COC(=O)c1ccnc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1	841081305	UBAVHPISGVYLSZ-CQSZACIVSA-N	369.421	2.196	10	10	FECE	
O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)N1Cc2cccc(O)c2C1	929477369	UFWPHROZTQPFRD-UHFFFAOYSA-N	373.434	2.480	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@H]3CCN(C)[C@H](C)C3)C2)cc1	854298763	BBMZINRSFJLSNO-RYRKJORJSA-N	360.502	2.398	10	10	FECE	
O=C(NCCCSc1nccs1)NCC1(O)Cc2ccccc2C1	759601028	CXTICNYSVWLLBK-UHFFFAOYSA-N	363.508	2.454	10	10	FECE	
CC1(C)C[C@@](C)(NC(=O)NCc2cccc(Br)c2O)C(=O)O1	1352148449	CAXIPQXQDMZHBL-OAHLLOKOSA-N	371.231	2.438	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)c1ccc(=O)n(CCCOC)n1	854374357	RVTBGHAOICXGCH-UHFFFAOYSA-N	373.453	2.428	10	10	FECE	
O=S(=O)(CC1CC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	751374497	YDRKQVNBTCKORC-HNNXBMFYSA-N	358.891	2.339	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3c(C)oc4ncnc(O)c34)C2)cc1	855228926	HTDADWKZXADGEG-GFCCVEGCSA-N	368.393	2.254	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN[C@H](C(C)C)C3CC3)CC2)cc1	853117639	YMLHEDWULSXVNU-TZIWHRDSSA-N	361.530	2.202	10	10	FECE	
CCn1nc(C)cc1NC(=O)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	861889529	GGTKDMOECSAGNZ-CQSZACIVSA-N	371.485	2.272	10	10	FECE	
COC[C@](C)(O)CCNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1	861857764	FAZVOYPJFAPSMS-HXUWFJFHSA-N	358.438	2.424	10	10	FECE	
O=C(CNC(=O)c1cccnc1)NCc1ccc(N2CCCCC2)cc1	765306070	AVUHFURKVCMVQA-UHFFFAOYSA-N	352.438	2.118	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cccn(C(C)C)c3=O)CC2)cc1	1084551045	PDDMBUKPJTUXHU-UHFFFAOYSA-N	355.438	2.400	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)c1cccc(CNc2ccncn2)c1	1445940610	VFLPKEKMHGEAIJ-UHFFFAOYSA-N	364.405	2.472	10	10	FECE	
CN(Cc1ccccc1O)C(=O)c1cc(Br)cn2ncnc12	1294677200	FOGWDMLMLXCHBM-UHFFFAOYSA-N	361.199	2.470	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)c2ccc(N(C)C)nc2)N(C)C)cc1	1618635236	HMLWMJHBGMFYRP-SFHVURJKSA-N	355.486	2.246	10	10	FECE	
CCN[C@H](c1ccccc1O)[C@@](O)(CNC(=O)OC(C)(C)C)COCC	1922526377	KRJUQUYXGOVGQL-VQIMIIECSA-N	368.474	2.335	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](Cc1ccccc1)c1nc(O)n[nH]1	1557910559	DSQRYRWWVTVDND-RCQQVGEISA-N	366.377	2.035	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CCS1(=O)=O	1558517651	LDAZYFIRKGFPHN-WPRPVWTQSA-N	355.437	2.008	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](COC)NC(=O)OC(C)(C)C	1627029022	UFEZUHWEAAGPSL-LBPRGKRZSA-N	373.446	2.034	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(-c2nc(=O)o[nH]2)c1	1628727498	ZKSPZXSNFMWRIJ-UHFFFAOYSA-N	366.377	2.135	10	10	FECE	
Cc1ccccc1CN1CCO[C@H](CNC(=O)c2ccc(C)c(O)c2O)C1	1643846638	ZYQWSXSMWXYMLF-QGZVFWFLSA-N	370.449	2.345	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCN(C)CC(F)F	1686827170	XKXBOJXTGQSYHU-AWEZNQCLSA-N	356.461	2.488	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cn1cnc2ccccc2c1=O	18150301	MBPAGNKRBPGLJR-UHFFFAOYSA-N	350.422	2.121	10	10	FECE	
C[C@H](NCC1(N(C)C)CCOCC1)c1ccc(N2CCC(O)CC2)cc1	168260680	JLTUHCKSGBOPKY-KRWDZBQOSA-N	361.530	2.409	10	10	FECE	
OC[C@H]1CCCN1c1cc(NCCCSc2nccs2)ncn1	156411142	IGBLBTWYMCHZGW-GFCCVEGCSA-N	351.501	2.489	10	10	FECE	
CCn1c(=O)ccc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21	1873531952	QTADSBRWDLCLGB-UHFFFAOYSA-N	365.437	2.147	10	10	FECE	
CC(C)(C)OC(=O)NCC12COC(C(=O)N3CC[C@H](CN=[N+]=[N-])C3)(C1)C2	2142245986	KTOFZNZCONKHCP-AXOLYNHLSA-N	365.434	2.219	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O[C@H](N)Cc2ccc(O)c(O)c2)CC1	1952481680	VHSJYKJJUILPJR-INIZCTEOSA-N	352.431	2.341	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC[C@H](NC(=O)C(F)(F)F)C[C@H]1C	2162930932	GTNTVXGWILXDON-SUNKGSAMSA-N	372.391	2.127	10	10	FECE	
CC(C)(C)OC(=O)NC1(CNCc2ccc(O)c(O)c2)CCOCC1	696988483	HKVRHZWWWKQMOC-UHFFFAOYSA-N	352.431	2.261	10	10	FECE	
CC(C)(C)OC(=O)N[C@@](C)(C(=O)N1CCC[C@@H](N=[N+]=[N-])C1)C(C)(C)O	2060639053	DNXAXVIYLBPCDS-BZNIZROVSA-N	355.439	2.342	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2060639991	OGLUVFXPUCLFHE-CYBMUJFWSA-N	353.423	2.171	10	10	FECE	
CC(C)S(=O)(=O)C[C@@H](C)NCc1ccc(Br)cc1O	2114186736	RQDLXSOZAYWVGJ-SNVBAGLBSA-N	350.278	2.456	10	10	FECE	
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1ccc(CO)cc1Br	2114228383	PBCSAXVKYDJOQA-NXEZZACHSA-N	350.278	2.199	10	10	FECE	
CN=c1cc(C(=O)NCc2cnc(SC)s2)c(Br)c[nH]1	2284712160	MAXYJERHSOUFIY-UHFFFAOYSA-N	373.301	2.416	10	10	FECE	
COc1ccc(N2C(=O)C(=Cc3ccccc3O)C(=O)NC2=S)cc1	2313555924	FARHVGJLRUJNJW-UHFFFAOYSA-N	354.387	2.232	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(Oc2ccc(N)cc2)CCCS(=O)(=O)C1	2319664463	LWWPCSBSSUEBGS-QGZVFWFLSA-N	370.471	2.120	10	10	FECE	
CC(C)(C)OC(=O)NC1(C(=O)N2CCc3cc(O)c(O)cc3C2)CCC1	2341196539	MYMPUVUHXHZEGR-UHFFFAOYSA-N	362.426	2.430	10	10	FECE	
CCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CC)C1=O	39729111	UPCSEUOFNQLEBN-PKNBQFBNSA-N	360.464	2.347	10	10	FECE	
COc1ccc(CN2CCN(Cc3nccn3C(F)F)CC2)c(O)c1	92614621	RZUCTSPBXQOOTA-UHFFFAOYSA-N	352.385	2.310	10	10	FECE	
O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)NCc5cccc(Br)c5O)[C@@H]4[C@@H]3[C@@H]12	800555156	PPNOFSLCGXRXOZ-XIVVQVJWSA-N	374.234	2.098	10	10	FECE	
Cn1nnc2ccc(C(=O)NCc3cc(Br)ccc3O)cc21	804740849	MZLOHCJYCDNIMN-UHFFFAOYSA-N	361.199	2.366	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)NCC[C@]2(O)CCOC2)CCCC1	652800350	OEIABGPGBRZFSV-NRFANRHFSA-N	372.465	2.186	10	10	FECE	
COc1ccc(N2CCN(CCCN[C@H]3CO[C@@H](C4CC4)C3)CC2)cc1	825063442	DZESKPPZEXISKB-WIYYLYMNSA-N	359.514	2.364	10	10	FECE	
CO[C@@H]1COCC[C@H]1CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	822786015	KHCGXBFNRANNTP-VDZJLULYSA-N	362.470	2.142	10	10	FECE	
O=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2cc(O)cs2)CC1	731868369	FLEBYPAQAYGXLX-UHFFFAOYSA-N	352.362	2.330	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC[C@H](N3CCCC3=O)C2)c([N+](=O)[O-])c1	732050517	CFEHAKTXCLWGFF-VIHMKRCTSA-N	373.409	2.372	10	10	FECE	
CC(C)(C)O[C@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1	834775258	JVWKMEZUCQUYQG-MAEOIBBWSA-N	371.481	2.141	10	10	FECE	
Cc1cc(C(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)O)c(C)n1-c1ccccn1	910590903	NVTOHPDYDFVFOK-HOCLYGCPSA-N	357.410	2.241	10	10	FECE	
COc1ccc(N2CC[C@@H](N3C(=O)N[C@@H](CC4(OC)CCC4)C3=O)C2)cc1	849358447	WEUGSZHCUFXOBV-WBVHZDCISA-N	373.453	2.154	10	10	FECE	
C[C@@H](NC(=O)N[C@@H](CC1CCOCC1)C(=O)O)c1ccc(N(C)C)cc1	929046503	WEPCJUDFUPAWJP-DYVFJYSZSA-N	363.458	2.383	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CO[C@H](C2CC2)C1	858154879	USRDGZVPIHNWGU-YJBOKZPZSA-N	363.433	2.029	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NCC[C@H]2CNC(=O)C2)c1O	926975900	BHFFHSOUICCZDV-NXEZZACHSA-N	357.248	2.340	10	10	FECE	
CCCN1CCC[C@H]1CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	854060836	LPHDWGVXJDCTAV-WMZOPIPTSA-N	360.502	2.448	10	10	FECE	
C[C@H](NCc1c2c(nn1C)CCOC2)c1ccc(N2CCOCC2)cc1	921590781	DMNGQDKDLDPOMB-HNNXBMFYSA-N	356.470	2.180	10	10	FECE	
C[C@@H]1[C@@H](NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C[C@H]2CC[C@H]1N2	925777653	PXWMTRUWSGCQSK-GVXRKXQCSA-N	356.514	2.007	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cn4c(n3)CC[C@@H](C)C4)CC2)cc1	857901012	IUOHKHMBVRNQJK-OAHLLOKOSA-N	354.454	2.436	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(CO)C1	859348353	PKWSETPFMIZCLK-LAUBAEHRSA-N	374.481	2.142	10	10	FECE	
CN1CCN(c2ccc(CN3CCC(C)(N4CCOCC4)CC3)cc2)CC1	862504510	FOHLROIUSIUSKH-UHFFFAOYSA-N	372.557	2.125	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2cn3c(n2)C[C@@H](OC)CC3)cc1	869142811	PIDZJYKSNVELQL-KRWDZBQOSA-N	372.469	2.061	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(OC)cnc1F	861694305	OXGSKYIJILMNEC-UHFFFAOYSA-N	374.416	2.283	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cn(C[C@H]2CCOC2)nn1	1124549735	OQUUUNBCAOTLTB-QGZVFWFLSA-N	369.469	2.187	10	10	FECE	
CS(=O)(=O)CC1(CCNC(=O)c2cc3cc(O)c(O)cc3s2)CC1	1147148086	YJXZJQBFTGCJAD-UHFFFAOYSA-N	369.464	2.257	10	10	FECE	
Cn1cc(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)nc1CNC(=O)OC(C)(C)C	2124538401	JHYOZWUDLSQMLJ-NSHDSACASA-N	363.422	2.360	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN3C[C@H]4CC=CC[C@H]4C3)CC2)cc1	1460637323	FYVUZTUVGNPGGH-ZVDOUQERSA-N	371.525	2.076	10	10	FECE	
C[C@H]1CN(c2ccc(C(=O)NCc3cc(O)ccc3O)cn2)C[C@@H](C)O1	1558174742	SURWTWZHBVFZHW-BETUJISGSA-N	357.410	2.036	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)[C@@H]3COc4ccccc4C3)cc2)CC1	1625141204	PBJVWXAEZNAULM-IBGZPJMESA-N	365.477	2.306	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(C(C)(C)C)n2ncnc2n1	1567464687	DCVNARIJBIWZKR-NSHDSACASA-N	369.425	2.194	10	10	FECE	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1	1644526406	KZMYMOXGILASCR-KSZLIROESA-N	358.530	2.316	10	10	FECE	
C[C@@H](N=c1[nH]nc(CCNC(=O)OC(C)(C)C)o1)c1cc(O)ccc1O	2138818954	RXSYAADKVRSWMI-SNVBAGLBSA-N	364.402	2.143	10	10	FECE	
CC(C)CN1C(=O)/C(=C\c2ccc(OCC(N)=O)cc2)SC1=S	1871286846	ADIXTSMNENJTMZ-NTUHNPAUSA-N	350.465	2.408	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@@]1(C)CNC(=O)O1	1951834457	TWIBKUWLXKAKBT-SUMWQHHRSA-N	352.387	2.032	10	10	FECE	
Nc1ccc(O)c(CNS(=O)(=O)c2cccc(Br)c2)c1	36742782	BMPJUGLOOLGOPM-UHFFFAOYSA-N	357.229	2.215	10	10	FECE	
C[C@H](NCC1(O)CC(NC(=O)OC(C)(C)C)C1)c1c(O)cccc1O	2045138979	DVCVVPJOLPMRLU-OMTHAAKESA-N	352.431	2.167	10	10	FECE	
COc1cccc(O)c1CNCC1(CNC(=O)OC(C)(C)C)COC1	2056738653	DUIXPKSVGNKGAQ-UHFFFAOYSA-N	352.431	2.032	10	10	FECE	
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2060635926	QTPYFLJZJBVUHY-YNEHKIRRSA-N	353.423	2.170	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1	2106652106	WATUGTIWRCXQPS-KBPBESRZSA-N	362.474	2.442	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1nc(Cl)ncc1Br	2200802980	QJYPOKCAPZVNSI-UHFFFAOYSA-N	358.579	2.485	10	10	FECE	
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(O)c3)C2=O)cc1	2297314447	KMQRGCIZIBYBOR-UHFFFAOYSA-N	368.345	2.163	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N1CCCC[C@H]1c1nc[nH]n1	2306239864	RXBUGEVIORJSJV-SFHVURJKSA-N	367.453	2.408	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCO[C@@H](c3nc(C)n[nH]3)C2)cc1	175420155	OCPKQWGPFMVPJC-QGZVFWFLSA-N	372.473	2.242	10	10	FECE	
CCOc1ccc([C@H]2CC(=O)NC(NC(=O)c3cccc(OC)c3)=N2)cc1	20530853	XKHGQTZBFYBKSZ-QGZVFWFLSA-N	367.405	2.441	10	10	FECE	
CCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)nc2ccnn12	64760674	QOLZOQBUHITMPR-UHFFFAOYSA-N	365.437	2.263	10	10	FECE	
COc1cc(Br)c(Br)c([C@H](N)C(=O)O)c1O	72197210	LQZXINFNZNAXIE-ZETCQYMHSA-N	354.982	2.010	10	10	FECE	
COc1ccc(N2CCN(C(=O)COc3ccccc3)CC2)c(OC)c1	243819974	QUQXCDLWVRFFAY-UHFFFAOYSA-N	356.422	2.431	10	10	FECE	
NC(=O)c1ccc(NC(=O)/C=C\c2ccc(N3CCOCC3)cc2)cc1	255588015	BULDNOOXUDIYTC-KMKOMSMNSA-N	351.406	2.274	10	10	FECE	
COc1ccc2c(c1)N(C(=O)c1cn(C)nc1-c1cnn(C)c1)CCC2	622970789	SJWJBPYFJWWZBU-UHFFFAOYSA-N	351.410	2.422	10	10	FECE	
COCC[C@H](Cc1cccc(Br)c1)C(=O)OCC(=O)C(C)=O	808520572	UQLSIBUJOLRPMX-CYBMUJFWSA-N	371.227	2.346	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cccc(OC)n1	803690722	SXROJWNJWIGNQD-UHFFFAOYSA-N	371.437	2.241	10	10	FECE	
C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3COC(=O)N3)cc2Cl)C1	831804923	PTPBKINGANRNDV-BXUZGUMPSA-N	351.834	2.301	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1c(O)cccc1F	914336461	YHZVFNYBVKAIDO-UHFFFAOYSA-N	359.401	2.367	10	10	FECE	
Cc1cc(S(=O)(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)c(C)s1	842785749	KIZCOJMHCSVPNP-OAHLLOKOSA-N	353.513	2.409	10	10	FECE	
CCc1noc([C@@H]2CC[C@@H](N3C(=O)CN(Cc4ccccc4O)C3=O)C2)n1	925257811	BQZNTFHJWIONFK-TZMCWYRMSA-N	370.409	2.438	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](C1CCOCC1)C1(CO)CCC1	855119434	DTXPIPUTLVRBCB-SIEMBAAWSA-N	361.438	2.185	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3C[C@]45CCCC[C@@]4(COC5)C3)cc2N1	853990081	XSQAJGYRLOWQPN-ROUUACIJSA-N	359.382	2.323	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C)C[C@H]3C(C)C)C2)cc1	854300672	XYQMDCFCTQOVLN-LPHOPBHVSA-N	360.502	2.256	10	10	FECE	
COc1ccc(N2CC[C@H](CN3C(=O)N4C5CCC4(CC5)C3=O)C2)cc1	865311171	FNPSDNGJISBNKR-GPWPYBQESA-N	355.438	2.481	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CNCc2c(C(F)(F)F)cnn2C)c1O	862436067	VPMFGBHANGNLIO-UHFFFAOYSA-N	360.292	2.351	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C(F)F)CCC1	1118939199	AUOXTFRIMWUFKR-NSHDSACASA-N	357.353	2.124	10	10	FECE	
CCOC(=O)C[C@H](O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	773884395	NFKDGELOHGIOGD-SFHVURJKSA-N	362.470	2.386	10	10	FECE	
CSc1ncc(CN=c2cc(I)cn[nH]2)s1	2243832190	IHJDJWSPNQVPBN-UHFFFAOYSA-N	364.237	2.294	10	10	FECE	
COC(=O)c1ccc(Cl)cc1NC(=O)C(=O)NCc1ccccc1O	781478016	BSBVBISCRDFFNS-UHFFFAOYSA-N	362.769	2.087	10	10	FECE	
COC(=O)[C@H]1[C@@H](CN(C)Cc2ccc(N3CCOCC3)cc2)C1(F)F	893910909	QDAGRRJTPATOMD-HZPDHXFCSA-N	354.397	2.009	10	10	FECE	
CC(=O)c1cn(C2CN(Cc3cc(Br)cc(F)c3O)C2)nn1	897941084	MTSCUAJMTJSDSW-UHFFFAOYSA-N	369.194	2.145	10	10	FECE	
COC(=O)[C@@H]1[C@H](CN[C@@H](C)c2ccc(N3CCOCC3)cc2)C1(F)F	894208796	LNSJKAUMTBNFKD-RCBQFDQVSA-N	354.397	2.228	10	10	FECE	
Cn1[nH]c(=NC(=O)OC(C)(C)C)cc1C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2124542824	JXEDRUVXFXTRJU-NSHDSACASA-N	363.422	2.352	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCN(CC(=O)Nc3ccc(N)cc3)[C@@H]2C1	2132354908	SORJVSOMLPECRX-XJKSGUPXSA-N	360.458	2.149	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H]2CCOC2(C)C)cc1	1261686417	NCHYIHWXMZBIKF-MRXNPFEDSA-N	361.486	2.080	10	10	FECE	
[N-]=[N+]=NC[C@@H]1CCCCN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1	1912147925	MTNMBZBIYMZDTN-KBPBESRZSA-N	357.414	2.056	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CC[C@](F)(CO)C3)ccc(N)c2C1	1917055835	BTMKMBJWQSIXRT-LJQANCHMSA-N	365.449	2.473	10	10	FECE	
Cc1nnc(N(C)[C@@H]2CCSC2)n1Cc1ccc(N2CCOCC2)cc1	1511765205	APBWXBTVHDAXMW-GOSISDBHSA-N	373.526	2.413	10	10	FECE	
CCOCc1nnc(N(C)Cc2ccccc2O)n1Cc1snnc1C	1297062301	XSINHFQUGJQXJN-UHFFFAOYSA-N	374.470	2.365	10	10	FECE	
COc1cc(N(C)Cc2c[nH]c(C)c(OC)c2=O)c([N+](=O)[O-])cc1OC	1612691757	USDZWCWMVABIEG-UHFFFAOYSA-N	363.370	2.254	10	10	FECE	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)NC3=O)c2C)cc1	843471	CBVIOULWOANZLY-MHWRWJLKSA-N	353.378	2.451	10	10	FECE	
CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1	1567776986	FWHZDHQPTLUBNX-NVXWUHKLSA-N	361.486	2.205	10	10	FECE	
C[C@H](NC(=O)N[C@H](C)c1ccccc1O)c1ccc(S(N)(=O)=O)cc1	1565417113	UOOMFFWCUGEBFR-NWDGAFQWSA-N	363.439	2.161	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1n[nH]cc1I	1640976398	VZVQHICISUELCT-DUXPYHPUSA-N	371.134	2.077	10	10	FECE	
CS(=O)(=O)C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCCCC1	1640590574	HWWZEQHYLABVKI-UHFFFAOYSA-N	366.443	2.326	10	10	FECE	
COC[C@H](NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C)c1nn[nH]n1	1595888902	JJZPNVZGEJNDPA-HNNXBMFYSA-N	374.832	2.378	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2cccc(C(=O)N3CCCC3)n2)cc1	154622798	KZFNOVVAXSIQQS-UHFFFAOYSA-N	352.438	2.314	10	10	FECE	
COC(=O)c1cnc(CN(C)Cc2ccc(N3CCOCC3)cc2)s1	893911436	URIXKHRMMIINHR-UHFFFAOYSA-N	361.467	2.398	10	10	FECE	
C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1CC(=O)Nc1ccc(N)cc1	2163041436	GUUONPUTAOICRH-JKIFEVAISA-N	374.485	2.395	10	10	FECE	
CN(C(=O)CN1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1)c1ccc(N)cc1	2188876776	CRHLWVFBERXPHA-NQIIRXRSSA-N	364.493	2.438	10	10	FECE	
COc1cccc(O)c1CNCCOCCN(C)C(=O)OC(C)(C)C	2042571718	SSILRMNQQUPLOL-UHFFFAOYSA-N	354.447	2.374	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])O1	2218742479	CTEHUBHYIQHUHT-ZDEQEGDKSA-N	353.423	2.406	10	10	FECE	
COc1cc(C=C2SC(=S)N(CCCO)C2=O)cc(OC)c1OC	2323676692	YGSWKYRHRYOGOI-UHFFFAOYSA-N	369.464	2.296	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)C[C@H]1COCC[C@H]1NC(=O)OC(C)(C)C	2315987049	MNVDZNAWOZOQOU-QWHCGFSZSA-N	355.439	2.465	10	10	FECE	
COc1cc(Cl)cc(CN2CCCN(Cc3noc(C)n3)CC2)c1O	184670564	DDWOIGOJUAZIOD-UHFFFAOYSA-N	366.849	2.454	10	10	FECE	
CC[C@H](NCCC(=O)NCCOC)c1cc(Br)ccc1O	228349646	SAPRIJLTIZIBGZ-ZDUSSCGKSA-N	359.264	2.348	10	10	FECE	
C[C@H](N[C@H](C)[C@H](C)N1CCOCC1)c1ccc(N2CCC(O)CC2)cc1	248150214	QQSUZBIEHORCJL-SQNIBIBYSA-N	361.530	2.408	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC(C)(C)C(N)=O)C1	444032423	KTEKSPNUZJHELS-UHFFFAOYSA-N	370.497	2.036	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)c3cn[nH]c3)cc2F)CC1	270313374	QDMSBHLOHGTWOP-AWEZNQCLSA-N	374.464	2.251	10	10	FECE	
O=C(NCCCSc1nccs1)N1CCO[C@]2(CCCOC2)C1	806959630	ZZZQIRLWENRPAS-OAHLLOKOSA-N	357.501	2.216	10	10	FECE	
C[C@H](OCC(=O)NCc1cccc(Br)c1O)c1nccn1C	807416287	BRXDDQNRUMBCBG-JTQLQIEISA-N	368.231	2.282	10	10	FECE	
CN(CCCCO)C(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	297946519	UFDRFBPZFWQPDW-UHFFFAOYSA-N	362.470	2.284	10	10	FECE	
CCOC(=O)[C@@H]1C[C@H](N=[N+]=[N-])[C@@H](O)C[C@@H]1NC(=O)OCc1ccccc1	714445008	XEIPEUFVSGQVHR-QPSCCSFWSA-N	362.386	2.294	10	10	FECE	
O=C1N=C(N2CCOCC2)S/C1=C\c1nccn1Cc1ccccc1	734096044	WAEKBFVAZNXLLA-QINSGFPZSA-N	354.435	2.234	10	10	FECE	
COC(=O)[C@H]1C[C@@H](O)CN1C(=O)/C=C\c1cc(C)n(-c2ccccc2)c1C	588512414	RHBKBTYZHYAWSB-PSUNPMBVSA-N	368.433	2.242	10	10	FECE	
CCOC1CN(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1	838536107	ZQDSCANWDGXXMN-UHFFFAOYSA-N	372.513	2.149	10	10	FECE	
O=C(O)[C@@H]1CC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	901930912	KXZZPTYYFOKITM-KCPJHIHWSA-N	368.380	2.484	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3CCO[C@H]([C@@H](C)O)C3)c2C)cc1	840564905	HLENKSVBBAYEPR-BEFAXECRSA-N	358.438	2.325	10	10	FECE	
CN(C)Cc1csc(CNCc2ccc(N3CCN(C)CC3)cc2)n1	922490478	PLYPBOQRDMWKLP-UHFFFAOYSA-N	359.543	2.246	10	10	FECE	
C[C@]1(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CCOC1	754413356	HIGZPTRSIYZUDL-NRFANRHFSA-N	357.498	2.261	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cc(O)ccc3[N+](=O)[O-])C2)cc1	855223280	FCPDZSAADPIDNC-LBPRGKRZSA-N	357.366	2.318	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@@H]1C[C@H]1C1CCOCC1	868131100	YONOFSFXVHUZRK-ICSRJNTNSA-N	373.497	2.385	10	10	FECE	
COC1(CS(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCC1	866827871	CAQIJTYYRMEUSI-MRXNPFEDSA-N	369.483	2.272	10	10	FECE	
C[C@H](NC[C@@]12COCCN1C(=O)OC2)c1ccc(Br)cc1O	866521068	KQVMLQSPOXOTEL-BONVTDFDSA-N	371.231	2.027	10	10	FECE	
O=S1(=O)CCN(c2ccc(CNC[C@H]3CC3(Cl)Cl)cc2)CC1	877030397	FSODAYRABZOJGB-CYBMUJFWSA-N	363.310	2.205	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)NC3CCC=CCC3)C2)cc1	1119499010	RJQKGZCZRXOTIY-MRXNPFEDSA-N	371.481	2.253	10	10	FECE	
C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H]1CNC(=O)OC(C)(C)C	881183147	YQVVAFUXULRRDN-GHMZBOCLSA-N	368.405	2.470	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)CN(C)CC(C)(C)C	1142689636	AKKFFNZGTXCIGE-UHFFFAOYSA-N	350.459	2.262	10	10	FECE	
C[S@@](=O)c1cc(N)ccc1N=Nc1cccc(S(=O)(=O)CCO)c1	1083805663	KCDBCNBUMQMSCN-HSZRJFAPSA-N	367.452	2.188	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N[C@@H]3CC[C@@H]4CN(C)C[C@H]43)CC2)cc1	1263707490	KYEFTIWPMBKXSP-CDHQVMDDSA-N	372.513	2.303	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@]1(C)CCCS1(=O)=O	1356266503	KJDHKZAJESPLRV-SFHVURJKSA-N	350.484	2.213	10	10	FECE	
C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccccc1O	1454812856	DBCJLDOBPMZJAX-RYUDHWBXSA-N	352.394	2.264	10	10	FECE	
Nc1ncnc2c1ncn2CCCCC(=O)NCc1cc(Cl)ccc1O	1469876575	HSCPZHLMDAFILL-UHFFFAOYSA-N	374.832	2.254	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)[C@H]2COCCN2CC(F)F)cc1	1544580750	RUKMQWQJGUISTK-MRXNPFEDSA-N	355.429	2.115	10	10	FECE	
COc1ccc(CNC[C@@H](O)CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]32)cc1C	1482753606	VSJBVFFJVNMLEJ-ZSYWTGECSA-N	360.498	2.397	10	10	FECE	
CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)NCc2c(O)cccc2F)C1	1635366663	GPVLWGPLSKVOKA-CQSZACIVSA-N	356.369	2.353	10	10	FECE	
CCc1noc([C@@H]2CC[C@H](NC(=O)NCc3ccc(OC)cc3O)C2)n1	1684437196	QAPNWLCBWNVYBJ-YPMHNXCESA-N	360.414	2.482	10	10	FECE	
CC[C@@H]1SC(=S)N(CCCCCC(=O)NC[C@H]2CCCO2)C1=O	11636790	TUXNGPQSPBGCPL-OLZOCXBDSA-N	358.529	2.481	10	10	FECE	
COc1ccc(Cl)cc1S(=O)(=O)NC(=O)Oc1ccc(N)cc1	1858616012	HOHUZABWFLKCGV-UHFFFAOYSA-N	356.787	2.408	10	10	FECE	
COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1ccccc1O	1968793183	VTQHJQPDUZNMPV-TZMCWYRMSA-N	352.431	2.451	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccccc1O)[C@@H]1CCCO1	1969154043	HUXKDGWPKBGWPI-GJZGRUSLSA-N	350.415	2.081	10	10	FECE	
CCOC(=O)[C@@H](O)CN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1	2044510997	BHWLHFSRHJJSCD-HNNXBMFYSA-N	352.431	2.072	10	10	FECE	
Cc1c(O)c(O)c(C)c2c1Oc1c(O)c(O)c3c(c1[C@@H]2O)[C@@H](O)C=CO3	14611732	CFHASEWULLWTPB-WPPNPWJKSA-N	360.318	2.253	10	10	FECE	biogenic
C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1c1cc2c(cc1N)OCC(=O)N2	2106713892	XLQQGRBSRGILDG-PWSUYJOCSA-N	362.430	2.092	10	10	FECE	
CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)Cc1ccc(N)cc1	2084784820	QWPSNVNBYUBWFF-HUUCEWRRSA-N	365.499	2.278	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNCc2ccc(F)c(F)c2O)C1	2098266398	PAQNZSRKJXWQHY-ZDUSSCGKSA-N	371.428	2.311	10	10	FECE	
C[C@@]1(C(=O)O)COCCN1Cc1cc(Cl)cc(Br)c1O	2201204846	DZFYBIBGJUYGAR-ZDUSSCGKSA-N	364.623	2.484	10	10	FECE	
COCCN1C(=O)C(=Cc2cc(OC)ccc2OC)C(C(=O)OC)=C1C	2297309483	LMUKZRJCYSFYJT-UHFFFAOYSA-N	361.394	2.023	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NCc3cc(F)ccc3O)CO[C@@H]1C2	2312827735	QYSMEOIFTOGWGO-SIIHOXLZSA-N	352.406	2.446	10	10	FECE	
CN1CCc2cc(CNCC3CCN(S(=O)(=O)C(F)F)CC3)ccc21	178925619	CDPSMUDFXXPEHH-UHFFFAOYSA-N	373.469	2.033	10	10	FECE	
COc1cccc(C(=O)N2CCN(Cc3cc([N+](=O)[O-])ccc3O)CC2)c1	170914061	NSKAEGGTTRIPNY-UHFFFAOYSA-N	371.393	2.267	10	10	FECE	
O=C(/C=C/c1cncc(O)c1)NCc1ccc(N2CCC(CO)CC2)cc1	179507886	RQOPERGESLLDOX-ZZXKWVIFSA-N	367.449	2.326	10	10	FECE	
C[C@H](CN[C@H](C)c1ccc(N2CCC(O)CC2)cc1)CN1CCN(C)CC1	120801676	OMLGRDPVWUMDHR-RTBURBONSA-N	374.573	2.182	10	10	FECE	
O=S(=O)(C(F)F)[C@H]1CCN(Cc2cccc(Br)c2O)C1	2368710550	UXJJQXKPOXGKGS-VIFPVBQESA-N	370.215	2.366	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CCCN(c3ncccn3)C2)c1	273407036	OQMSJTNUWFQPKX-ZFWWWQNUSA-N	356.426	2.288	10	10	FECE	
Cc1ccc(CNC(=O)C[C@@H](CN)C(F)F)c(O)c1Br	2380752461	WLCMVZMJZMTJCR-VIFPVBQESA-N	351.191	2.309	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1ccncc1OC	807178005	HZRNCMWQDZISLC-CQSZACIVSA-N	371.437	2.412	10	10	FECE	
C[C@@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccc(F)cc1O	717099006	LWICEPZIKYKSOO-HSMVNMDESA-N	354.422	2.410	10	10	FECE	
COc1ccc(N2CC[C@H](CNS(=O)(=O)[C@@H]3CCO[C@H](C)C3)C2)cc1	819888478	WNAVQLZKGNSQMB-IIDMSEBBSA-N	368.499	2.008	10	10	FECE	
O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(-c2nc(=O)o[nH]2)cc1	731897378	URWLDNUYCBFONG-UHFFFAOYSA-N	366.377	2.119	10	10	FECE	
CCCCn1c(N)c(N(CC)C(=O)/C=C\c2cccnc2C)c(O)nc1=O	839218453	PUAQYAMPDCQDQK-KTKRTIGZSA-N	371.441	2.101	10	10	FECE	
Cc1ccc2c(O)c(C(=O)NC[C@H](N)c3ccc(N(C)C)cc3)cnc2n1	832299736	GTGWZHUHLVLAST-KRWDZBQOSA-N	365.437	2.140	10	10	FECE	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N[C@@H]1[C@H]2CCC[C@H]21	838573813	SXTLCDCRVDZFSF-VIKVFOODSA-N	351.397	2.399	10	10	FECE	
C[C@H](NC(=O)N1CC[C@@H](CN2CCOC2=O)C1)c1ccc(N(C)C)cc1	836405313	CPTPNDCJPDYJOZ-LSDHHAIUSA-N	360.458	2.297	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1	840318415	IPECNONNVQSDMA-LORHWOILSA-N	372.513	2.301	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(N2CC[C@H](O)C2)CC1	853412305	XZLOPXSJTDZRHE-FQEVSTJZSA-N	372.513	2.027	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C3CCC(C(=O)N(C)C)CC3)C2)cc1	855222945	DPDIKZDLKRVMKB-JCYILVPMSA-N	373.497	2.285	10	10	FECE	
COc1cc(O)c(CN[C@@H]2CS(=O)(=O)Cc3ccccc32)cc1OC	857059007	XVZVJVFBGINBAZ-OAHLLOKOSA-N	363.435	2.169	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(OCCCO)CC1	757160461	VMQVNPOMYWVQFG-UHFFFAOYSA-N	361.486	2.360	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@@H]4COC[C@H]4C3)C2)cc1	852386935	NMLREMICPBIPGU-BRWVUGGUSA-N	359.470	2.199	10	10	FECE	
CN1CCN(c2ccc(CN3CCC(CO[C@H]4CCNC4)CC3)cc2)CC1	863651946	LVNVORNTGFYOEF-QFIPXVFZSA-N	372.557	2.029	10	10	FECE	
Cc1c(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)ccnc1F	862278589	FZTYIBQRLDLADQ-UHFFFAOYSA-N	363.458	2.054	10	10	FECE	
CCOc1ccc(CNCc2cnc(N3CCOCC3)c(F)c2)c(O)c1	764972268	GBLLEAMMHRRCIB-UHFFFAOYSA-N	361.417	2.451	10	10	FECE	
CCOc1cccc(CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)c1O	2126903634	WAKNFNODOZYCQP-GJZGRUSLSA-N	366.458	2.251	10	10	FECE	
O=C(OCc1ccccc1)N1CC(CNCc2ccc(O)c(O)c2O)C1	1914314767	CZXIJEXRPDQMTO-UHFFFAOYSA-N	358.394	2.162	10	10	FECE	
CO[C@@H]1CC[C@H]1N(C)C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	1354452800	HGMWYELOECWEPG-RTBURBONSA-N	373.497	2.175	10	10	FECE	
CN(C(=O)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N)cc1	2136199573	XVAQNFXBTATNCQ-LJQANCHMSA-N	363.458	2.384	10	10	FECE	
CN(C)c1ccc(CNC(=O)Cn2cnc(-c3ccccc3)cc2=O)cc1	1523211775	GXACGQFPBAMZMN-UHFFFAOYSA-N	362.433	2.293	10	10	FECE	
C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1nc(Cc2ccccc2)no1	1545338163	RQFSTZZAAMTXPD-LBPRGKRZSA-N	353.378	2.492	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CN1[C@H](C)CC[C@H]1C	1546151981	NYDZAXCQEGCJMS-CHWSQXEVSA-N	368.861	2.420	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)Cc2ccc(O)c(O)c2)[C@H](F)C1	1558870326	VVOFGRZERYEZIT-OLZOCXBDSA-N	368.405	2.104	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)C1	1557969845	JFFOLNIJKAKVAK-BETUJISGSA-N	350.415	2.060	10	10	FECE	
NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc2cc(O)c(O)cc2s1	1626802689	ORNUFZYBXGLDSH-GFCCVEGCSA-N	356.403	2.139	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)c2ncnc(O)c2Br)c1	1566374379	GLUDBBNQKKHNKJ-ZETCQYMHSA-N	368.187	2.150	10	10	FECE	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1	151594389	GMLAUTHNAYPSSX-HOTGVXAUSA-N	355.394	2.270	10	10	FECE	
CN(C)c1ccc(CNCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1	1860716427	JGQZDEQANCYLHQ-UHFFFAOYSA-N	368.481	2.318	10	10	FECE	
O=C(c1cc(O)c(O)c(O)c1)N1CCN(C/C=C/c2ccccc2)CC1	1148581314	QFTBYJVXKPETMF-QPJJXVBHSA-N	354.406	2.275	10	10	FECE	
C[C@H](NCc1cc(Br)cc(F)c1O)[C@H](C)S(C)(=O)=O	1970409931	OXUNFXOQPYOLKW-YUMQZZPRSA-N	354.241	2.205	10	10	FECE	
CO[C@@H]1C[C@H](CNCc2ccc(O)cc2O)N(C(=O)OC(C)(C)C)C1	2052354707	IGXMQMNYAXMATC-UKRRQHHQSA-N	352.431	2.212	10	10	FECE	
CC[C@H](CNC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	2060402096	OHBGWQCWPCYDEG-CYBMUJFWSA-N	352.431	2.307	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)N(C)CCCN=[N+]=[N-]	2060611531	VHDMJGOMHQKFKZ-STQMWFEESA-N	355.439	2.417	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)N1CC[C@H](CN=[N+]=[N-])C1	2060636235	VUELFRDSXPCIGA-CHWSQXEVSA-N	353.423	2.171	10	10	FECE	
C[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)c1ccc(O)cc1O	2063340779	DMOVVTPIJYNIHC-TUKIKUTGSA-N	352.431	2.119	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(CO)(NCc2c(O)cccc2F)CC1	2070031790	UQVCAARDLVZITK-UHFFFAOYSA-N	354.422	2.383	10	10	FECE	
C[C@@H](NC(=O)[C@@H](CN(C)C)NC(=O)OC(C)(C)C)c1ccccc1O	2072479613	LHYFHLAOLAPHDQ-TZMCWYRMSA-N	351.447	2.024	10	10	FECE	
C[C@H]1C[C@H]1NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2080888769	QWODPQCDWJCUTC-UHTWSYAYSA-N	350.415	2.058	10	10	FECE	
COc1ccc(CNCC2(CO)CN(C(=O)OC(C)(C)C)C2)cc1C	2081946118	DNBULVLTNNQXEE-UHFFFAOYSA-N	350.459	2.323	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(C(=O)CCOc1ccc(N)cc1)C2	2106693911	FWWZSWVSFNVNAI-BFUOFWGJSA-N	361.442	2.163	10	10	FECE	
CC1(CNC(=O)OC(C)(C)C)CN(C(=O)CCOc2ccc(N)cc2)C1	2106700154	VZMQJVILCKZIDE-UHFFFAOYSA-N	363.458	2.411	10	10	FECE	
COc1ccc(N2CC[C@H]3OCCN(C(=O)OC(C)(C)C)[C@H]3C2)c(N)c1	2106845937	JEPMRTWTRAGJJG-DLBZAZTESA-N	363.458	2.492	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N1CC[C@](O)(C(F)(F)F)C1	2297755166	BSWGBJCXJQLEGU-QGZVFWFLSA-N	370.371	2.062	10	10	FECE	
CC(=O)N1CCN(C(=O)C=Cc2ccc(N3CCOCC3)cc2)C(C)(C)C1	2306882193	XIDFJHZNRSKDSA-UHFFFAOYSA-N	371.481	2.006	10	10	FECE	
CCn1nc(C)c(NC=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1C	2313548480	WBGPZMABIDQRSQ-UHFFFAOYSA-N	367.409	2.407	10	10	FECE	
COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1O	2313558639	GEESYTIURFICPH-UHFFFAOYSA-N	356.309	2.206	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NC[C@@H](C)N2CCOCC2)cc1F	66976853	LIRQOFGAQPITRY-OAHLLOKOSA-N	366.481	2.192	10	10	FECE	
C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C(=O)NCc1ccco1	176193060	RLVWTQDNKFJJED-CYBMUJFWSA-N	371.437	2.368	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)CN2CCCCCCC2=O)N(C)C)cc1	1439962852	XUXKHQNYDCDHGU-IBGZPJMESA-N	374.529	2.264	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCS(=O)(=O)C[C@H]1C	172571847	OXCNVWXPSFPUPG-CYBMUJFWSA-N	352.481	2.415	10	10	FECE	
CCOc1ccc(O)c(CNCc2cnc(N3CCOCC3)c(F)c2)c1	185075851	KJHWUJXQRDIHLN-UHFFFAOYSA-N	361.417	2.451	10	10	FECE	
C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCCO1	80010757	FWQCCAMVECBNIM-SCLBCKFNSA-N	365.449	2.154	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CCC(c3nnc4n3CCC4)CC2)c1O	364591767	SPHVCUACGMCYCJ-UHFFFAOYSA-N	373.413	2.226	10	10	FECE	
Cc1cc(Br)cc([C@H](C)N[C@@H]2CCC(=O)N(C)C2=O)c1O	818360761	CFAPIJFMVPEPPQ-JOYOIKCWSA-N	355.232	2.261	10	10	FECE	
Cc1nc(CNC(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)no1	572943843	RZYGIERFXABOKZ-UHFFFAOYSA-N	367.453	2.416	10	10	FECE	
CC[C@H]1Oc2cc(C(=O)O)ccc2N(OCCOc2ccc(N)cc2)C1=O	821300852	ZNUXTKLUKHJUDU-MRXNPFEDSA-N	372.377	2.482	10	10	FECE	
C[C@@H](NC(=O)C(=O)NCCCSc1nccs1)c1cscn1	828240332	YMKRQCBPEZSZQE-SECBINFHSA-N	356.498	2.075	10	10	FECE	
C[C@H]1CO[C@@H](c2ccccc2)CN1Cc1cc(O)n2ncc(C(=O)O)c2n1	737758431	QFKGBLFYJZANEC-BLLLJJGKSA-N	368.393	2.095	10	10	FECE	
COc1ccc(O)c([C@@H](C)NCC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)c1	588382538	INRQYMBFLZCCJE-OLZOCXBDSA-N	358.442	2.280	10	10	FECE	
O=Cc1c(Br)nc2n1CCO/C2=C\c1cnn(CCF)c1	901575173	MQCXQOGDCFBKGM-WZUFQYTHSA-N	355.167	2.152	10	10	FECE	
CN(C)CCOc1ccccc1CNC(=O)/C=C\c1ccc(O)c(O)c1	588405569	KWUDHPZYHLNZIP-NTMALXAHSA-N	356.422	2.368	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H]3CC[C@H](C(=O)O)C3)C2)cc1	831047779	WKQIPAVLOOGYIK-SOUVJXGZSA-N	361.442	2.074	10	10	FECE	
O=C(O)c1cncnc1NCc1ccc(N2CCN(CC3CC3)CC2)cc1	844213271	VYYWTQSFHWOQFF-UHFFFAOYSA-N	367.453	2.319	10	10	FECE	
CN1C(=O)C(C)(C)c2cc(C(=O)OCC(=O)c3ccc(O)c(O)c3)ccc21	849856515	CRFZAVUONUOOGE-UHFFFAOYSA-N	369.373	2.392	10	10	FECE	
C[C@H]1[C@@H](N)CCN1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	841843428	IEGOOXZQFMWDRD-ZENOOKHLSA-N	368.428	2.388	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H](C)Cc3ccco3)nc12	850061049	ZJLKERVACPXFLL-NSHDSACASA-N	373.365	2.127	10	10	FECE	
COC(=O)/C=C\c1ccc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)o1	855225713	LQEJQYWUOOBCCE-QQBNSCQMSA-N	370.405	2.483	10	10	FECE	
COCc1cc(O)ccc1NS(=O)(=O)c1cc(C(F)(F)F)nn1C	863411498	ZKPPWAURIOPFGH-UHFFFAOYSA-N	365.333	2.092	10	10	FECE	
CNC(=O)c1cccc(OCC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1	760132561	JDUMDGGFKPGUBW-LBPRGKRZSA-N	358.394	2.017	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CC(CC(F)(F)F)C1	1117045509	VDBFNZAFAFTVEK-UHFFFAOYSA-N	369.387	2.314	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N2CN(C)C(=O)[C@@H]2C)CCCC1	1130729939	HAPAMIKSMBNQHQ-ZDUSSCGKSA-N	355.438	2.175	10	10	FECE	
COC(=O)c1c(CN[C@@H]2CCC[C@H](C(N)=O)C2)c2cc(F)ccc2n1C	894287401	GGSWQMOCYIPHCU-WCQYABFASA-N	361.417	2.238	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNc3nccn4cncc34)cc2)CC1	893401475	KRVWQEHSHHAXJO-UHFFFAOYSA-N	350.426	2.010	10	10	FECE	
COc1cc(C)cc(CNC[C@@H]2CS(=O)(=O)c3ccccc3O2)c1O	895076942	WVONEJVYKRIJMK-CQSZACIVSA-N	363.435	2.034	10	10	FECE	
COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)c(OC)c2)c(F)cc1F	797820281	OYDJLEBBXBJMTD-UHFFFAOYSA-N	373.333	2.266	10	10	FECE	
C[C@@H]1[C@H](NC(=O)c2cc(O)c(O)c(O)c2)CCCN1C(=O)OC(C)(C)C	2132402290	CUZLWWSWRNXNCZ-ZYHUDNBSSA-N	366.414	2.321	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc([C@H]2CC(=O)NC(=O)N2)cc1	1453975485	JZGOZAOZXXJMPZ-JPFFYJABSA-N	367.361	2.020	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N2CCO[C@@H]([C@@H](C)O)C2)CCCC1	1637852402	QXQXGEBEOJJPQZ-JLTOFOAXSA-N	372.465	2.137	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)Cc3c(O)ncnc3O)c2C)c1	1648611646	KOZQCDNMAVMGDY-UHFFFAOYSA-N	366.421	2.463	10	10	FECE	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3[N+](=O)[O-])C2=O)cc1	5959443	FXLKNNQWUAUHQO-UVTDQMKNSA-N	367.317	2.270	10	10	FECE	
C[C@@H](O)c1ccc(N2CC[C@H](CS(C)(=O)=O)C2)c(Br)c1	2143672058	MFLWTSWXCNBXJA-MNOVXSKESA-N	362.289	2.373	10	10	FECE	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C=C1C(=O)N(C)c2ccccc21	2040474758	RFBQOWHBLFGMLU-CQSZACIVSA-N	371.462	2.377	10	10	FECE	
O=C(c1cccc(O)c1O)N1C[C@@H](CNC(=O)C(F)(F)F)C2(CCC2)C1	2174805186	QGHSDARSSYTCPZ-SNVBAGLBSA-N	372.343	2.019	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccc(O)c(O)c2)CC1	2054419466	DQRNHLIKUYZVRI-UHFFFAOYSA-N	350.415	2.475	10	10	FECE	
COC[C@@]1(C(=O)N2CC[C@H](N=[N+]=[N-])C2)CCN(C(=O)OC(C)(C)C)C1	2060609878	ARJKQCSNTLJMGH-BLLLJJGKSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])C1	2218743211	IXAOXMQDSYRGCW-JHJVBQTASA-N	353.423	2.218	10	10	FECE	
C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@H]1CCCN1C(=O)OC(C)(C)C	2271377464	FWPSVWPPIRVBGF-ZYHUDNBSSA-N	366.414	2.321	10	10	FECE	
CC(C)(C)OC(=O)NCCCn1cnc(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)c1	2225192916	LXLQQSHVNPJCQR-GFCCVEGCSA-N	363.422	2.323	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](O)C1(C)C	2315988445	IKPKDPLPFRGCMP-BDJLRTHQSA-N	355.439	2.200	10	10	FECE	
OC[C@H](O)CN1CCCN(c2ccc(OCc3ccccc3)cc2)CC1	2336066972	BWDJMIXFBKDCSI-HXUWFJFHSA-N	356.466	2.131	10	10	FECE	
Cc1noc(COC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)n1	23373356	ZXHXDDMYAMTKAS-UHFFFAOYSA-N	363.329	2.093	10	10	FECE	
CN(C)c1ccc(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)cc1F	74249647	AHBPGSSZPOMBRS-HNAYVOBHSA-N	370.428	2.123	10	10	FECE	
O=S(=O)(C(F)F)[C@@H]1CCN(c2ccc(CO)cc2Br)C1	2368551308	IEHJRGYNVFBCEX-SECBINFHSA-N	370.215	2.158	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@H]32)c1	246225780	DOGWBWHHWOAPOJ-QGPMSJSTSA-N	372.446	2.079	10	10	FECE	
CCOc1ccc(N2CN=c3sc(=Cc4ccccc4)c(=O)n3C2)cc1	254607456	OQIJBRHOQVMEDE-UHFFFAOYSA-N	365.458	2.192	10	10	FECE	
O=C(Cc1cncnc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	290890800	QPKPASVRQXOTFL-CQSZACIVSA-N	362.380	2.406	10	10	FECE	
C[C@]1(CCC(=O)NCc2cc(Br)ccc2O)CCC(=O)N1	804740964	QRAMYRZFRCFQDP-HNNXBMFYSA-N	355.232	2.220	10	10	FECE	
CC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ncc(C(=O)O)[nH]1	904065454	RHQTVZPBALJKOE-AWEZNQCLSA-N	362.405	2.325	10	10	FECE	
CC[C@H](NCCS(=O)(=O)N=S(C)(C)=O)c1cc(Cl)ccc1O	903226862	PWEHGNZKVUQNHG-LBPRGKRZSA-N	368.908	2.144	10	10	FECE	
Cc1cc(C(=O)NC[C@@H]2CCCCN2CCO)c(C)n1-c1ccccn1	833565312	CFWFHFUXJPFLEN-KRWDZBQOSA-N	356.470	2.066	10	10	FECE	
CN(C)C(=O)[C@@H]1CCCN1CCCNC/C=C/c1ccc(N(C)C)cc1	835038700	YDGWUBYUQBTRDA-FKIZTMCRSA-N	358.530	2.298	10	10	FECE	
CCCn1nccc1NC(=O)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	839635408	YKGQJQMMVRLIBG-HNNXBMFYSA-N	371.485	2.353	10	10	FECE	
Cc1cc(C(=O)N2CCOC[C@@H]2c2ccnn2C)c(C)n1-c1ccccn1	846615777	CMVQPQHXCBNATI-GOSISDBHSA-N	365.437	2.436	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)N[C@@H](C[C@H]1CCCO1)C(F)(F)F	847246559	UXSJPIHXJFSISQ-RISCZKNCSA-N	362.348	2.440	10	10	FECE	
CO[C@@H](C)CS(=O)(=O)NC(=O)c1sccc1-n1c(C)ccc1C	764195877	UQUICIXKNVRULP-LBPRGKRZSA-N	356.469	2.250	10	10	FECE	
Cc1ccc(-n2c(C)cc(C(=O)CN3CC[C@@H](NC(N)=O)C3)c2C)cc1	762926630	VVLVEFORXHLVGI-MRXNPFEDSA-N	354.454	2.328	10	10	FECE	
CC[C@H](CO)N1CCN(Cc2cc(C)cc(Br)c2O)CC1	781914742	ZIUNSFTWAKGHKR-CQSZACIVSA-N	357.292	2.352	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)N(C)C)cc1	896671197	IMPBUBLBDHKCTL-HNJRGHQBSA-N	372.513	2.246	10	10	FECE	
Oc1ccc(CNC[C@@]23CN(Cc4ccccc4)C[C@@H]2CCO3)cc1O	2118582223	PSLOIMFQGUFBKA-GHTZIAJQSA-N	354.450	2.479	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2124507918	DBBASMWZMHJCJC-IHRRRGAJSA-N	367.450	2.465	10	10	FECE	
CN(C(=O)c1cc(O)c(O)c(O)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	2132392846	MZFJYGDDLJSNTP-GFCCVEGCSA-N	366.414	2.275	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCC1CC(OC)C1	1261605737	PTBBDIKBCLZNFD-UHFFFAOYSA-N	361.486	2.032	10	10	FECE	
C[C@@H](O)CN(Cc1ccccc1)C(=O)c1ccn(-c2ccc(N)cc2)n1	1914609229	SZFXGVVSLLBBJU-OAHLLOKOSA-N	350.422	2.478	10	10	FECE	
CC[S@](=O)CCn1c(CC2CC2)nnc1N(C)Cc1ccccc1O	1516871751	IAITTXKUXHVPOU-VWLOTQADSA-N	362.499	2.341	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(C)C)CC2)c(OC)c1	1461977998	MENOQFQDRTWRTD-SFHVURJKSA-N	361.486	2.225	10	10	FECE	
COC(=O)c1cc(OCc2ccc(C(N)=O)cc2[N+](=O)[O-])ccc1N(C)C	1614868499	ASBMRSPUIZWSHA-UHFFFAOYSA-N	373.365	2.125	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCCNc1ccc(C(F)(F)F)cn1	1625879181	MCYWTNWCFMGXCJ-UHFFFAOYSA-N	355.316	2.282	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)c3cccnc3NC)cc2F)CC1	1627360712	PZAOPAFPIBPARY-UHFFFAOYSA-N	371.460	2.334	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1ccc(CSc2nc[nH]n2)cc1	1633595175	LABCDINMUPJWRL-UHFFFAOYSA-N	356.407	2.438	10	10	FECE	
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1/C=C1\C(=O)N(C)c2ccccc21	8056770	RFBQOWHBLFGMLU-XGHPXPSOSA-N	371.462	2.377	10	10	FECE	
CC(C)Oc1cccc(/C=C2/SC(=S)N([C@@H](CO)C(=O)O)C2=O)c1	1858595998	LQGCYPAHHGLKBI-ALFJJAPYSA-N	367.448	2.121	10	10	FECE	
CC[C@](C)(NC(=O)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862299729	HOSGGNFOLDFFFK-FQEVSTJZSA-N	361.486	2.285	10	10	FECE	
CC(C)(C)OC(=O)N1CC=C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1	1964864209	NVGIJAUHJZTIRV-CQSZACIVSA-N	362.426	2.180	10	10	FECE	
O=C(O)CO[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2O)C1	2153160156	JJHCXTLOTTWRBJ-SNVBAGLBSA-N	364.623	2.484	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1	2054411378	XTXVEUYCZXRBKA-DGCLKSJQSA-N	350.415	2.473	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)O1	2060632905	HHSCIYUIDJWCTK-AGIUHOORSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)COC1	2067764632	LVMDHPSSKWLHPQ-GFCCVEGCSA-N	353.423	2.077	10	10	FECE	
CN1CCc2cc([C@H](N)[C@H](O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)ccc21	2106849346	UUANINMSQMWEPT-RYQLBKOJSA-N	361.486	2.297	10	10	FECE	
COCCOCCN(Cc1ccccc1)c1ccc2c(c1)NC(=O)[C@H]2O	2095880095	VREYZTSNRFLZIP-IBGZPJMESA-N	356.422	2.342	10	10	FECE	
Nc1ccc(OCCN2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cc1	2097695596	HVGMIAMKHKYSHA-NHCUHLMSSA-N	353.466	2.233	10	10	FECE	
C[C@H](NC[C@@H]1CN(C)CCN1C(=O)OC(C)(C)C)c1c(O)cccc1O	2098264234	WDRWTNOVSOZFJS-UONOGXRCSA-N	365.474	2.300	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@H]1CCCN1C1CN(C(=O)OC(C)(C)C)C1	2271808049	GFDYYROTFNGUJP-AWEZNQCLSA-N	366.466	2.229	10	10	FECE	
C[C@@H]1CN2CCC[C@H]2CN1C(=O)C=Cc1ccc(N2CCOCC2)cc1	2297564653	VADBEIADBONWNZ-XLIONFOSSA-N	355.482	2.232	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N=c1ccn(CCc2ccncc2)[nH]1	2307987058	ZNAXBYUENVBIAX-UHFFFAOYSA-N	350.378	2.006	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2312334426	VYWWOSWCOCPJTJ-NDBYEHHHSA-N	353.423	2.216	10	10	FECE	
COC[C@]1(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)C=CCN1C(=O)OC(C)(C)C	2314782196	VRIMHWGIVMVLHA-WBMJQRKESA-N	351.407	2.090	10	10	FECE	
C[C@@H](N[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)c1ccc(O)cc1O	2330890456	SOGRHOOXQKHIDU-BNGXUDDSSA-N	364.442	2.383	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@@H]1Cc2ccccc2[C@@H]1O	178561550	HLIANXLMBBLRGR-YKKVUUMLSA-N	364.445	2.311	10	10	FECE	
C[C@H]1CC[C@@H](C)N(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	174465115	RIHKCTSUXLFSLG-JKSUJKDBSA-N	363.477	2.399	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)NC[C@H](O)Cc1ccccc1	255662250	KRXLRMDOVLEXJA-ZRKSWWEUSA-N	366.461	2.256	10	10	FECE	
CN(C)c1ccc(CNC(=O)[C@H]2CCc3nnc(C4CC4)n3C2)cc1F	368394206	SYWQXRDBQVEZRR-AWEZNQCLSA-N	357.433	2.239	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cnc(OCC2CC2)cn1	285056701	ULCFTCBPAAIBIL-UHFFFAOYSA-N	368.437	2.032	10	10	FECE	
COC(=O)c1ccc(C(=O)NCc2cc(Br)ccc2O)n1C	816654203	XUJMBCKRRYTYIB-UHFFFAOYSA-N	367.199	2.210	10	10	FECE	
C[C@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCN(CC(F)(F)F)C1	840141725	XEQFPVULUIQBPL-NHYWBVRUSA-N	360.376	2.134	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](CO)[C@H](O)c1cccnc1	913568646	XOPPPBFYYVVROW-NVXWUHKLSA-N	371.462	2.375	10	10	FECE	
CNCc1ccccc1NC(=O)C(=O)NCCCSc1nccs1	841060085	GICRCNMSJKCSEL-UHFFFAOYSA-N	364.496	2.100	10	10	FECE	
CNC(=O)[C@@H](CNCc1ccc2c(c1)CCO2)Cc1ccc(OC)c(F)c1	842718874	YMTDPELGZAEWFD-QGZVFWFLSA-N	372.440	2.464	10	10	FECE	
O=C(NCc1c(O)cccc1F)[C@@H](c1ccccc1F)N1CCOCC1	928704789	CSWGRWBSDPJTBH-GOSISDBHSA-N	362.376	2.360	10	10	FECE	
CNCCCC(=O)N1CCC(NCc2cc(Cl)cc(C)c2O)CC1	853248369	SGNBNZRMMRQGBI-UHFFFAOYSA-N	353.894	2.434	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC[C@@H]1c1ccc(O)nn1	859891937	KHXAYHDEHJFEOG-GOSISDBHSA-N	369.469	2.044	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1C[C@@H](N)CCc2ccccc21	852755443	ODFXNMXFUICUOY-IBGZPJMESA-N	366.509	2.491	10	10	FECE	
COc1ccc(C(=O)O)cc1NS(=O)(=O)c1cc(F)cc(F)c1O	753018123	STUGYOQCDUWKRY-UHFFFAOYSA-N	359.306	2.178	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Nc3ccc(F)c(C(N)=O)c3)C2)cc1	853292367	CWDFKLMUWUVVGH-ZDUSSCGKSA-N	372.400	2.334	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N[C@@H]3C[C@@H](C)n4ncnc43)CC2)cc1	852475165	GCBUCOSTUNSWRH-CXAGYDPISA-N	370.457	2.261	10	10	FECE	
C[C@H]1[C@H](NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C[C@H]2CC[C@H]1N2	925777655	PXWMTRUWSGCQSK-SJFSSXKUSA-N	356.514	2.007	10	10	FECE	
COc1ccc(N2CC[C@@H](N=c3nn[nH]n3-c3ccc(C)cc3)C2)cc1	853758885	MDDLAZLPDHGMSF-OAHLLOKOSA-N	350.426	2.092	10	10	FECE	
CS(=O)(=O)c1ccc(/C=C\C(=O)NCCCSc2nccs2)o1	859352790	YDAWBBKDURJWEY-HYXAFXHYSA-N	372.493	2.451	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)NCC1CCC(O)CC1	853451926	CYYRZDCTLBPBJR-UHFFFAOYSA-N	365.449	2.013	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H](C)c3ccnn3C)CC2)c(OC)c1	869184586	AKXXKGAEFDYNDT-AWEZNQCLSA-N	373.457	2.030	10	10	FECE	
C[C@@H]1C[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)[C@@H](C)O1	866213402	QOXYMAZATZJISC-IOASZLSFSA-N	350.434	2.217	10	10	FECE	
Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)/C=C\c1ccc(O)c(O)c1	779548362	RPHABBPYSJFESG-ZQMJAJRESA-N	357.410	2.061	10	10	FECE	
C[C@@H](NCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1O	1308009836	FPISDQLNUZSNPX-GFCCVEGCSA-N	371.393	2.162	10	10	FECE	
COc1cccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2CO)c1O	2116265098	JDSQNZNBNRPQKF-LSDHHAIUSA-N	366.458	2.108	10	10	FECE	
Cn1c(-c2ccccc2)cnc1SCc1nnc2c(=O)n(C)ccn12	1165276289	XVQUTGZRQPLSEQ-UHFFFAOYSA-N	352.423	2.121	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2C[C@H](C1)N2C(=O)OC(C)(C)C	2117039919	MVJHIUSBDATTSB-WQVCFCJDSA-N	360.458	2.289	10	10	FECE	
O=C(NCC(=O)N1Cc2cccc(O)c2C1)c1cc(-c2ccccc2)on1	1175030286	QCAAQLJLHXCTSP-UHFFFAOYSA-N	363.373	2.319	10	10	FECE	
Cn1cc(C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)c(=NC(=O)OC(C)(C)C)[nH]1	2124513750	UCADYNPUKRMDME-LLVKDONJSA-N	363.422	2.494	10	10	FECE	
O=C(C(=O)N1CCC[C@@H](CC(F)(F)F)C1)N1Cc2cccc(O)c2C1	1332040449	ZKGCJWLOUCXCHF-NSHDSACASA-N	356.344	2.425	10	10	FECE	
CN(C(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(C(=O)O)cn1	2131036890	CLGOCJNHWJNNLH-CYBMUJFWSA-N	361.398	2.356	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCC[C@]2(C)CC2(F)F)cc1F	1347477304	IQASAFNYLMHFRS-MRXNPFEDSA-N	357.376	2.060	10	10	FECE	
CC(C)(C)OC(=O)NCCCC1CN(CC(=O)Nc2ccc(N)cc2)C1	2134801879	SGRFWVAGDZWCST-UHFFFAOYSA-N	362.474	2.444	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(CC(C)(C)C)n1Cc1cnnn1C	1517150509	YOBGZOVHQVAKEG-UHFFFAOYSA-N	369.473	2.386	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@]34CCC[C@]3(OC)OCC4)CC2)cc1	1518386005	CHXJAHFNKNMRGZ-PMACEKPBSA-N	360.454	2.277	10	10	FECE	
COC(=O)[C@@H]1CCc2sc(NC(=O)Cc3ccc(O)c(O)c3)nc2C1	1451821366	FFLCOWFVFALKQH-SNVBAGLBSA-N	362.407	2.013	10	10	FECE	
CCC/C=C\[C@@H](O)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O	1546151680	CUNZQVTWRDHEOV-IYKSTZQJSA-N	355.818	2.264	10	10	FECE	
COCCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(N=NC(N)=O)cc1	1543220502	VEQBMNYRYDNRDW-UHFFFAOYSA-N	364.402	2.279	10	10	FECE	
COc1ccc(-c2cc(C(=O)NCc3ccc(O)cc3O)n[nH]2)cc1OC	1626837621	ATGZOBKULRHBNI-UHFFFAOYSA-N	369.377	2.435	10	10	FECE	
COc1ccc(-n2cc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)nn2)cc1	1638347144	DMFZLACDXAXRAP-GFCCVEGCSA-N	368.393	2.048	10	10	FECE	
C[C@@H](CNC(=O)[C@@]12CCC[C@@H]1C2)NC(=O)c1ccc(N=NC(N)=O)cc1	1584202780	OOHDGFPBFLFBPY-WHWRDJHUSA-N	357.414	2.274	10	10	FECE	
COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NCc2cc(F)ccc2O)C1	1967846386	VQFFICJLRASSFT-KTXOBNNYSA-N	368.405	2.220	10	10	FECE	
C[C@H](c1cc(Br)ccc1O)N(C)CCS(=O)(=O)N(C)C	2151046546	FZJKMTVAMIPNRT-SNVBAGLBSA-N	365.293	2.039	10	10	FECE	
CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)CCOc1ccc(N)cc1	2044211948	VRUNXQWMJQHPDI-CQSZACIVSA-N	351.447	2.457	10	10	FECE	
CN(CCc1nc(=N[C@H]2CCc3cccc(O)c32)[nH][nH]1)C(=O)OC(C)(C)C	2185280035	ROECKZRXTJRNMN-ZDUSSCGKSA-N	373.457	2.441	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N[C@H](C)c1ccc(O)cc1O	2058681592	XOQUCCDDLJDPRR-DIOULYMOSA-N	352.431	2.383	10	10	FECE	
CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)CCOc1ccc(N)cc1	2106230373	PFKUIDXQQQPMLS-UHFFFAOYSA-N	373.400	2.314	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](O)(CNCc2cccc(F)c2O)C1	2081460817	UPAFHSWCIVKHRE-GOSISDBHSA-N	354.422	2.383	10	10	FECE	
COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(C)c1O	2084063154	KWNULFHTCXDLDV-CQSZACIVSA-N	352.431	2.247	10	10	FECE	
Nc1ccc(CCC(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)cc1	2106236778	FXCPEYQJIDIXLV-CYBMUJFWSA-N	357.376	2.119	10	10	FECE	
CC(C)(C)OC(=O)NCCc1n[nH]cc1C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-]	2227024476	JBNATIBDDKSDAC-STQMWFEESA-N	363.422	2.438	10	10	FECE	
C[C@@H](CNCc1ccc(O)c(O)c1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1	2230090719	CNUBOPIKZBQNEY-DJJJIMSYSA-N	366.458	2.195	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@@]2(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2278990556	WOKBJOBDXGUHSF-IIYDPXPESA-N	365.434	2.314	10	10	FECE	
CC1=NN2C(=N)C(=Cc3ccc(N4CCOCC4)cc3)C(=O)N=C2S1	2293674592	QWXSBQRIPDYDNG-UHFFFAOYSA-N	355.423	2.162	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)NCC1CCN(C(=O)C(F)(F)F)CC1	2307987777	KUEWZZNWRKPRTA-UHFFFAOYSA-N	372.343	2.028	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H](O)C1(C)C	2315988446	IKPKDPLPFRGCMP-BZNIZROVSA-N	355.439	2.200	10	10	FECE	
O=C1C(=Cc2cc(Cl)ccc2O)SC(=S)N1CCOCCO	2318684130	QWQFKJWZSWLBGG-UHFFFAOYSA-N	359.856	2.256	10	10	FECE	
O=C(NCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccsc1	109891684	MTHSGWOGVSULHV-MRXNPFEDSA-N	374.462	2.391	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NCCCN2CCOC2=O)cc1F	66978358	IVSHAANGFNLQPO-UHFFFAOYSA-N	366.437	2.313	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-n2cncn2)c(F)c1	186422871	GZEOIHKLEKMLDA-NSHDSACASA-N	356.357	2.179	10	10	FECE	
Cc1oc(CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)cc1C(=O)O	190922253	STUNXOKPUGHPGA-QPJJXVBHSA-N	370.405	2.452	10	10	FECE	
CCNC(=O)N1CC[C@H](N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1	90412161	CMRPHCQMAJYGTA-ZBFHGGJFSA-N	364.465	2.117	10	10	FECE	
CC(C)CN1C(=O)/C(=C/Nc2ccnn2[C@H](C)C2CC2)C(=O)NC1=S	254953769	YSBWRTSJMXJMJF-KAQJVSAMSA-N	361.471	2.049	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)CCN(C)c1ccncc1	819697705	ZLKWUHLVWMLAFL-UHFFFAOYSA-N	371.437	2.205	10	10	FECE	
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)CC(O)C1	2131461455	ZWCOZSYWKUCAAW-SFYCDEOASA-N	367.450	2.201	10	10	FECE	
CO[C@@](C)(c1noc(-c2cc(NS(C)(=O)=O)ccc2O)n1)C1CC1	810333536	DOOUFAUPAZMPLU-OAHLLOKOSA-N	353.400	2.085	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3C(F)(F)F)cc2)C1	822660561	QYQDLASTEQSYGP-BPLDGKMQSA-N	369.387	2.203	10	10	FECE	
C[C@@H]1O[C@H](C)CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@@H]1C	823537040	KSCWJFVKFWCJCK-OAGGEKHMSA-N	361.486	2.355	10	10	FECE	
CNS(=O)(=O)CCCOC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	735959123	CSFYTZNGJUXIDX-UHFFFAOYSA-N	368.430	2.329	10	10	FECE	
Cc1cc(C(=O)CN(CC(N)=O)C(C)C)c(C)n1-c1ccc2c(c1)OCO2	740474702	MWCHXSHIOMMCIP-UHFFFAOYSA-N	371.437	2.201	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)c3cc(C)oc3C)C2)cc1	849416141	KOFACPMCOBKIHS-CQSZACIVSA-N	350.440	2.462	10	10	FECE	
O=C(NCc1c(O)cccc1F)NC1CCN(C(=O)c2ccoc2)CC1	914000912	XTAIXGRXXHSWAS-UHFFFAOYSA-N	361.373	2.228	10	10	FECE	
C[C@]1(CNC(=O)C(=O)Nc2ccc(N)cc2)CCCN1Cc1ccccc1	841096225	UJQSJDFBNAFCOV-OAQYLSRUSA-N	366.465	2.378	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NC[C@H]2CN(C3CC3)C(=O)O2)cc1	847292322	TXSUCTVIAIPELT-KRWDZBQOSA-N	360.458	2.315	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Cn3cnc4c3CCCC4)C2)cc1	855228097	VFCAHXGAMZRQSR-HNNXBMFYSA-N	354.454	2.166	10	10	FECE	
COCc1n[nH]c(CN[C@@H](C)c2cc(Br)cc(F)c2O)n1	850515571	YVFVUFUOXCCRNU-ZETCQYMHSA-N	359.199	2.409	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3CC[C@H]4COC[C@@H]4C3)CC2)cc1	853643834	RKBNHOGNENTDAK-HOTGVXAUSA-N	359.470	2.342	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN3CCCCC[C@@H]3C)CC2)cc1	754044078	RMZMETJLHYBNQE-ICSRJNTNSA-N	361.530	2.443	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H]2Cc3cncn3C2)cc1	861891943	OLNBEKDRIVLPOX-SFHVURJKSA-N	362.433	2.387	10	10	FECE	
C[C@H](O)[C@@H](O)CNCc1ccc(N2CCCCC2)c(Br)c1	865739651	YMAWQAHHSBBPMR-LRDDRELGSA-N	357.292	2.271	10	10	FECE	
O=S1(=O)CCC(CCNCc2c(O)cccc2Br)CC1	1118800791	CPGIHBKZHDAJJL-UHFFFAOYSA-N	362.289	2.459	10	10	FECE	
COc1cc(C(=O)NCc2cccc(OC)c2O)c([N+](=O)[O-])cc1F	1137471431	KUSBMMHNDXFECY-UHFFFAOYSA-N	350.302	2.387	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N(C)Cc1ccns1	898086101	JWEIXGBYWVSVNW-AWEZNQCLSA-N	374.510	2.223	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CNCCCCc1nn[nH]n1	708073404	OISYPVASSLVHKB-UHFFFAOYSA-N	360.643	2.434	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)c2cnc3c[nH]nc3c2)N(C)C)cc1	1304769708	YGSWWMJADHQNIR-SFHVURJKSA-N	352.442	2.057	10	10	FECE	
C[C@H](N[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)c1cc(O)ccc1O	2121660222	BVBVEJAYOHGHIT-LDXOSZSPSA-N	364.442	2.383	10	10	FECE	
Cc1nc(I)c(N)c(N(C)Cc2ccc(N)cc2)n1	2121880507	FFWIMGMYCGDMTH-UHFFFAOYSA-N	369.210	2.190	10	10	FECE	
CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2127463518	BCOWLAWRPHNHGZ-MELADBBJSA-N	367.450	2.417	10	10	FECE	
CO[C@H]1C[C@H](CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1	1333932003	ROWAIGFMYLECST-UAPYVXQJSA-N	373.497	2.177	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]2CN(CC(=O)Nc3ccc(N)cc3)C[C@@H]21	2132375148	NKMRWHYOCGZRMH-BBRMVZONSA-N	360.458	2.149	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCNC(=O)c2cc(O)c(O)c(O)c2)C1	2132404350	RCLWSECSHWKWGE-KLPPZKSPSA-N	366.414	2.227	10	10	FECE	
CCCS(=O)(=O)Nc1cccc(C(=O)NCc2cc(O)ccc2O)c1	1471661634	VZRNKWPWDCQAJY-UHFFFAOYSA-N	364.423	2.180	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1	1540646592	PUFIWYVYKOHYFN-UHFFFAOYSA-N	374.824	2.278	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1	1620604603	NPUADTTWBSESNE-ZDUSSCGKSA-N	350.415	2.108	10	10	FECE	
Cc1ccc(N2C[C@H](C(=O)NCc3ccc(O)cc3O)CC2=O)cc1C	1557084992	XLGHUDYLLWPWQH-OAHLLOKOSA-N	354.406	2.384	10	10	FECE	
O=C(NCc1cccc(Br)c1O)c1cn(-c2cccnc2)nn1	1626822310	MHQHHDXTGKNQOX-UHFFFAOYSA-N	374.198	2.060	10	10	FECE	
Cc1cc(CC(=O)N2CC[C@@](O)(CN(C)C)C2)c(C)n1-c1ccccc1	1558044650	XOZWOTIZJINAET-OAQYLSRUSA-N	355.482	2.162	10	10	FECE	
COc1ccc(-c2cc(C(=O)NCc3cc(O)ccc3O)n[nH]2)c(OC)c1	1644752486	HRICMPMJOIVRHK-UHFFFAOYSA-N	369.377	2.435	10	10	FECE	
CC[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1O	1743455677	CIHMDNZTOAXYEJ-LJQANCHMSA-N	370.457	2.182	10	10	FECE	
CNC(=O)c1ccc(CN(C)C(=O)c2ccc(N=NC(N)=O)cc2)cc1	1587566181	OTKZWAYNLXNGIT-UHFFFAOYSA-N	353.382	2.481	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H](O)c3cccc(OC)c3)CC2)cc1	154420563	GDUXKDBWNFMNRE-IBGZPJMESA-N	356.422	2.086	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC(NC(=O)c3cccc(O)c3O)C[C@H]2C1	1965088423	GKGYTLAHBYHDKC-RYUDHWBXSA-N	362.426	2.473	10	10	FECE	
O=S1(=O)CCC[C@@H]2CN(Cc3ccc(Br)cc3O)C[C@@H]21	2145070694	DBBPPRMIMFPHNY-RISCZKNCSA-N	360.273	2.164	10	10	FECE	
COc1ccc(Br)c(CNCC[C@H](C)[S@@](C)=O)c1O	1971658616	HDDZWXURCCYRGS-ZRNGKTOUSA-N	350.278	2.410	10	10	FECE	
O=C(O)C[C@@]1(O)CCN(Cc2cc(Cl)cc(Br)c2O)C1	2160855356	YTOPNFBOXRCAOE-ZDUSSCGKSA-N	364.623	2.220	10	10	FECE	
CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1NCc1ccc(O)cc1O	310808201	AYPUCVTYTAELQT-BMFZPTHFSA-N	352.431	2.258	10	10	FECE	
O=C(c1cccc(O)c1O)N1CC[C@@](CNC(=O)C(F)(F)F)(C2CC2)C1	2174790728	FYHCPZVQRZGXQU-INIZCTEOSA-N	372.343	2.019	10	10	FECE	
CC[C@](COC)(NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1O	2060480624	YYFYUEHIMYMOOD-GOSISDBHSA-N	352.431	2.328	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@]2(COCCN2c2ccc(N)cc2)C1	2106837805	CGNWNMGZTFLZLW-LJQANCHMSA-N	363.458	2.112	10	10	FECE	
COc1ccc(N2CCC(N(CCO)C(=O)OC(C)(C)C)CC2)c(N)c1	2106844076	OSHSMIGQJSITTQ-UHFFFAOYSA-N	365.474	2.476	10	10	FECE	
O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNNc1ccc(Cl)cc1	2297459164	PGBWBDZCDOEXDT-UHFFFAOYSA-N	356.769	2.423	10	10	FECE	
Cc1cccc(CNCc2cc(I)nn2C)c1O	2314197672	DPOHTDAPPAYLSL-UHFFFAOYSA-N	357.195	2.329	10	10	FECE	
CN(C(=O)CN1C[C@@H]2CC[C@H]1[C@H]2NC(=O)OC(C)(C)C)c1ccc(N)cc1	2356121518	KEHSJAUQZQXBHV-OWQGQXMQSA-N	374.485	2.219	10	10	FECE	
CCCOc1ccc(CN2CCCC[C@H]2C(=O)N2CCOCC2)c(O)c1	93014744	AHGMQGIMZMPYAF-SFHVURJKSA-N	362.470	2.394	10	10	FECE	
C[C@H]1CC[C@]2(CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C2)C1	376873063	XEZJNYKTUMIFRU-SJCJKPOMSA-N	352.456	2.416	10	10	FECE	
COc1cc(Br)cc(CN2CC(F)(F)C[C@H]2CO)c1O	372635815	CSGVANLBIITOFV-JTQLQIEISA-N	352.175	2.365	10	10	FECE	
CC(C)[C@@H](C)CNC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	803309143	PWJJMAIUSGBABW-JKSUJKDBSA-N	361.486	2.109	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C/[C@H]1CCCO1	819463569	TXSROTFLFNFZMC-HZRUHFOJSA-N	353.802	2.282	10	10	FECE	
COC(=O)c1ccc(O)c([C@@H](C)NCC2CCC(S(C)(=O)=O)CC2)c1	903153353	FPWHEAVRWLITDS-DNOWBOINSA-N	369.483	2.433	10	10	FECE	
O=C(/C=C/[C@H]1CCOC1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	828259030	JCIIBEZPMIUTGJ-FKIZTMCRSA-N	369.509	2.428	10	10	FECE	
COc1ccc(N2CCN(C(=O)/C=C\c3ccc(C(=O)O)o3)CC2)cc1	901608467	HJJXTYFKOHHRML-CLFYSBASSA-N	356.378	2.348	10	10	FECE	
Cc1nnccc1NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	839021448	IMHXOHFDZAZLEF-UHFFFAOYSA-N	363.368	2.222	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](C)N1C[C@H](C)O[C@H](C)C1	847318889	PNOUNCDLUMZZTL-YESZJQIVSA-N	362.518	2.358	10	10	FECE	
COc1ccc(C2CCN(C(=O)C(=O)Nc3ccc(N)cc3)CC2)nc1	846322430	VOFXEBHNXQDWET-UHFFFAOYSA-N	354.410	2.017	10	10	FECE	
CC(C)N1CC[C@H](C(=O)NCc2c(O)cccc2F)[C@H](c2cnn(C)c2)C1	928712551	RVOBPWBAYNFFLO-RDJZCZTQSA-N	374.460	2.395	10	10	FECE	
COc1ccc(CNC(=O)N[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c(O)c1	852596288	JYZATADAEKQNGP-RHSMWYFYSA-N	358.442	2.345	10	10	FECE	
C[C@H](NC(=O)N1CC[C@H]2COC[C@H]2C1)c1ccc(N2CCOCC2)cc1	852012556	LXRDXVGHCYQBOH-RYQLBKOJSA-N	359.470	2.262	10	10	FECE	
CCOC(=O)[C@]1(F)CN(Cc2cc3c(cc2O)OC[C@H]3O)CC12CCC2	853523989	JPBNVNMYFQQWBQ-DNVCBOLYSA-N	365.401	2.075	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc4c(N)ncnc4c3)C2)cc1	855225845	MTMUCJDRHDBZSC-AWEZNQCLSA-N	363.421	2.229	10	10	FECE	
COc1ccc(N(CC(=O)O)CC(=O)N[C@H]2CCc3ccccc3C2)cc1	853002540	OLIORKNIXVFOET-KRWDZBQOSA-N	368.433	2.260	10	10	FECE	
CCN(CC)C(=O)CCCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	855230103	NCMPKUJWLGDIRJ-MRXNPFEDSA-N	361.486	2.429	10	10	FECE	
Cc1noc([C@@H]2OCC[C@@H]2NCc2c(O)cccc2Br)n1	858328093	GMIVEKMRYRZJBM-WCQYABFASA-N	354.204	2.466	10	10	FECE	
C[C@@H](NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@H]1[C@H]2CN[C@H]1C2	925630239	OPUAEYHFTVUVJU-MWRLGJARSA-N	354.542	2.305	10	10	FECE	
CO[C@@H]1CCC[C@H]([C@@H](CO)NCc2ccc(N3CCOCC3)c(F)c2)C1	850353452	DDEIZAWJYKQILM-YQVWRLOYSA-N	366.477	2.318	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CC(=O)N[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1	758484782	OZMKPZXWCXOFKU-TXKQXAOOSA-N	359.382	2.028	10	10	FECE	
CCOC(=O)c1cc(NS(=O)(=O)C[C@@H](OCC)C2CC2)ccc1O	863410816	LORCLTAMZAPEEJ-OAHLLOKOSA-N	357.428	2.126	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CN1CCCCC(=O)C1=O	864638216	URHUQDJKCAEGFY-UHFFFAOYSA-N	371.481	2.217	10	10	FECE	
COc1ccc(N2CCC(NS(=O)(=O)CC3(OC)CCC3)CC2)cc1	866708501	FYMQFJKHOHGPET-UHFFFAOYSA-N	368.499	2.153	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)[C@]3(CC(C)C)CCNC3=O)C2)cc1	868955572	BZYLMRGMGYJPQX-KKSFZXQISA-N	373.497	2.190	10	10	FECE	
CCN(CC)C(=O)[C@H]1CCCN1Cc1ccc([N+](=O)[O-])c(OC)c1O	774859071	SCOREKRHKYYUGU-CQSZACIVSA-N	351.403	2.142	10	10	FECE	
O=C1C[C@H]([C@@H]2CCCCN2Cc2ccc(N3CCOCC3)c(F)c2)CN1	770379708	KNVOMEJOWSDDEB-WMZOPIPTSA-N	361.461	2.153	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CC[C@H]1CC[C@H](C2OCCO2)O1	895485168	LRCLSKQFYIUEEC-QZTJIDSGSA-N	362.470	2.412	10	10	FECE	
COC(=O)[C@@H]1[C@@H](CN(C)Cc2ccc(N3CCOCC3)cc2)C1(F)F	893910907	QDAGRRJTPATOMD-CVEARBPZSA-N	354.397	2.009	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3CCN3C3CCCC3)CC2)cc1F	1137422667	HAAYLDYQVCVAJW-GOSISDBHSA-N	361.461	2.500	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](CO)[C@H]3CCOC3)ccc21	1137913724	IGJUPXXIABCBGA-WMZOPIPTSA-N	360.454	2.032	10	10	FECE	
CN[C@H]1C(=O)Nc2cc(N(C)CC3CSC3)c(Br)cc21	718288742	YAOIHDBUWDPROG-CYBMUJFWSA-N	356.289	2.461	10	10	FECE	
CON(CCNC(=O)OC(C)(C)C)C(=O)/C=C/c1ccc(O)c(O)c1	1159688398	HUCARFRGQPWMMX-SOFGYWHQSA-N	352.387	2.026	10	10	FECE	
CS(=O)(=O)c1ccc(/C=C\C(=O)NCc2cc(Cl)ccc2O)o1	1165508242	NXJKAXNNEBPFPW-UTCJRWHESA-N	355.799	2.372	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1	2124540037	BXBLOBXOLFWMTN-SUMWQHHRSA-N	367.450	2.297	10	10	FECE	
COC(=O)c1c(CN(C)CC2(O)CCOCC2)c2cc(F)ccc2n1C	1332005745	WPXANMJLDHQUHJ-UHFFFAOYSA-N	364.417	2.077	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1cc(O)c(O)c(O)c1	2132404540	SLQJLWFJGWANRF-GHMZBOCLSA-N	366.414	2.273	10	10	FECE	
O=C(NCc1cccc(O)c1O)[C@H]1CCN(C(=O)OCc2ccccc2)C1	1352657238	AJICPELHWKRTCM-INIZCTEOSA-N	370.405	2.373	10	10	FECE	
NC(=O)c1ccc2c(n1)N(C(=O)/C=C\c1cnc3ccccc3n1)CCC2	1538420207	YRCTWOBOSDXSQT-NTMALXAHSA-N	359.389	2.116	10	10	FECE	
COc1ccc(N(C)CCN(C)CCN2C(=O)c3ccccc3C2=O)cc1	1473610230	LIAHXCZPYIVEDI-UHFFFAOYSA-N	367.449	2.359	10	10	FECE	
Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N1Cc2cccc(O)c2C1	1558036618	WLIKDEAMRBNZFG-MFOYZWKCSA-N	365.368	2.367	10	10	FECE	
CC(C)(C)OC(=O)N1CC(N(C(=O)Cc2ccc(O)c(O)c2)C2CC2)C1	1639338859	KOLJVOKRRCQQOP-UHFFFAOYSA-N	362.426	2.251	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(CC(C)(C)C)n1C[C@@]1(O)CCOC1	1747750030	IELDIDQFPWHAPF-FQEVSTJZSA-N	374.485	2.360	10	10	FECE	
C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)OC(C)(C)C	1586061667	TZWZQZLIJHKQQJ-WMLDXEAASA-N	363.502	2.449	10	10	FECE	
CCN1C(=O)/C(=C\c2c(NC)nc3c(C)cccn3c2=O)SC1=S	6076115	RMBGCASHOYVPKY-DHZHZOJOSA-N	360.464	2.266	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)N(CCO)CC(C)(C)C)N(C)C)cc1	1687806234	AOQNEJNYBZVVJQ-SFHVURJKSA-N	364.534	2.405	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N2CCCc3c2cccc3[N+](=O)[O-])c1	162234696	KYYPAWFNDRWKIR-BQYQJAHWSA-N	366.377	2.342	10	10	FECE	
COCCN1C(=O)c2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2C1=O	1874060549	DXQIGLCNKQHTCI-UHFFFAOYSA-N	367.405	2.247	10	10	FECE	
Cc1c(OCc2ccc(N)cc2)c(=O)ccn1CCCN1CCOCC1	1857909768	KRYLILPMTRZINC-UHFFFAOYSA-N	357.454	2.040	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)N(C)Cc2ccccc2O)N(C(=O)OC(C)(C)C)C1	827081744	SOLOKVCHRVTSNH-HUUCEWRRSA-N	364.442	2.375	10	10	FECE	
CO[C@H]1C[C@@H](CNCc2ccc(O)c(O)c2)N(C(=O)OC(C)(C)C)C1	2052355900	MKIMNRBHNSTFSG-KBPBESRZSA-N	352.431	2.212	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(C)OC[C@H]1C(=O)N1CC[C@H](N=[N+]=[N-])C1	2060612249	DMVYMEVRAYLVMV-RYUDHWBXSA-N	353.423	2.312	10	10	FECE	
CCN(CCN(C)C(=O)c1cc(O)c(O)c(O)c1)C(=O)OC(C)(C)C	2068620246	GEEOAHIFMACKJG-UHFFFAOYSA-N	354.403	2.132	10	10	FECE	
CN(C(=O)COc1ccc(N)cc1)[C@H](CNC(=O)OC(C)(C)C)C1CC1	2106771462	IYPYVWIJAYIBQI-MRXNPFEDSA-N	363.458	2.409	10	10	FECE	
Nc1ccc(CCC(=O)Nc2cnc(I)cn2)cc1	2089289469	QLZVBKMMANLTIE-UHFFFAOYSA-N	368.178	2.235	10	10	FECE	
CC(C)(C)OC(=O)N1CCn2[nH]c(=NCc3ccc(O)cc3O)cc2C1	2092671926	XHQKSYXOGPDIRO-UHFFFAOYSA-N	360.414	2.079	10	10	FECE	
C[C@H](CNCc1ccc(O)cc1O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1	2230084736	YBDKXAGDAKDSIH-YJYMSZOUSA-N	366.458	2.195	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]1(O)CCCN(c2ccc3c(c2)OCCO3)C1	2270839117	YWSHOZOYWYKKPU-IBGZPJMESA-N	364.442	2.314	10	10	FECE	
CC(C)OC(=O)[C@@H](C)N(C)C(=O)C=Cc1ccc(N2CCOCC2)cc1	2299250774	AIUSBJLMBWPOOC-MRXNPFEDSA-N	360.454	2.335	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CCO[C@H]2C[C@@H]1C(=O)NCc1ccccc1O	2331168976	WAYXXQPIKVVGGF-LZWOXQAQSA-N	362.426	2.175	10	10	FECE	
Oc1cc2c(cc1O)CN(c1ccc(I)nn1)CC2	2341193098	ZCTBBNHWSMJLQH-UHFFFAOYSA-N	369.162	2.055	10	10	FECE	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cnn(-c2ccccc2)c1	59402575	TXEOOICTORMZEE-SXGWCWSVSA-N	362.345	2.127	10	10	FECE	
CCOC(=O)CN/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C	101728678	VLQCDZIGMLQYMX-GDNBJRDFSA-N	358.423	2.446	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)C2CCN(Cc3nccn3C)CC2)c1	170900692	XZWWLNLKPDKFLR-CQSZACIVSA-N	372.469	2.224	10	10	FECE	
O=C(Nc1cccc(F)c1I)c1cc(O)nc(O)c1	306016615	SQSOTMPTYSNSKV-UHFFFAOYSA-N	374.109	2.489	10	10	FECE	
NC(=O)c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1Cl	31720972	NILQYWICSBESCY-UHFFFAOYSA-N	368.827	2.244	10	10	FECE	
COC[C@@](C)(CCO)NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C	182828251	VNHKWZDGAHFYJJ-HXUWFJFHSA-N	355.438	2.483	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)Nc3c(C)n[nH]c3C)cc2)CC1	187914732	FEURJMZDZHHALN-UHFFFAOYSA-N	370.457	2.017	10	10	FECE	
CN(C)c1ccc(/C=C(\NC(=O)C(C)(C)C)C(=O)N2CCOCC2)cc1	39882045	QAXWLKKUVVYLDM-VKAVYKQESA-N	359.470	2.115	10	10	FECE	
COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OC)c1OC	33321542	MCRVOLFLXNSEQJ-KAMYIIQDSA-N	354.362	2.174	10	10	FECE	
COc1ccc(CN2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c(O)c1	182305785	IXSSYBBRKFHEKG-QGZVFWFLSA-N	368.499	2.227	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc(NC(C)C)ncn3)CC2)cc1	243390364	MLWQUVDGUWMXCP-UHFFFAOYSA-N	355.442	2.268	10	10	FECE	
Cc1cc(Cl)cc(CNC[C@@]2(CO)COCC3(CCC3)N2C)c1O	529645982	VAOYARIRDNQDTB-GOSISDBHSA-N	354.878	2.059	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)CCc3ccnn3C)cc2F)C[C@@H](C)O1	274634903	ZOGJYKMFVFHYDH-GASCZTMLSA-N	374.460	2.422	10	10	FECE	
CCOC(=O)c1csc(CCNC(=O)N(C)Cc2ccccc2O)n1	276260495	UDLCWLRFXHLTEE-UHFFFAOYSA-N	363.439	2.410	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC[C@H]2CNC(=O)O2)C1	801321193	CSTOOGPZGPOLDP-CQSZACIVSA-N	371.437	2.059	10	10	FECE	
COC(=O)c1cnc(SCC(=O)NCc2ccc(OC)cc2)s1	295279890	KLOARWHMVPGQOX-UHFFFAOYSA-N	352.437	2.347	10	10	FECE	
C[C@@H](NC(=O)N1[C@H]2CC[C@H]1[C@@H](CO)C2)c1ccc(N2CCOCC2)cc1	812015416	PLBXZLGBJOOSDO-JZGRTCEGSA-N	359.470	2.139	10	10	FECE	
COC[C@@](C)(O)CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	824559820	ZPPDNVNHTMJZLY-SFHVURJKSA-N	351.447	2.462	10	10	FECE	
C[C@H]1Oc2cc(C(=O)O)ccc2N(OCCCOc2ccc(N)cc2)C1=O	821299816	OBZAUAPUFZNMSE-GFCCVEGCSA-N	372.377	2.482	10	10	FECE	
C[C@H]1CC[C@H](C)N(C(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1	839348105	JFJBVQRUWHFCKA-IRXDYDNUSA-N	373.497	2.129	10	10	FECE	
CCn1ncc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)n1	837748682	PFIXUUHRTYTMTK-UHFFFAOYSA-N	371.372	2.279	10	10	FECE	
NC(=O)[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2cnc3ccccc3n2)C1	732737620	BUGIPEOETIFCBV-FJVVXJACSA-N	358.401	2.334	10	10	FECE	
CNC(=O)c1cccc(OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1	915667659	ZNBBRCZUACOUKK-UHFFFAOYSA-N	355.438	2.150	10	10	FECE	
O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCCN(c2cccnc2)C1=O	845110212	XYSDKTSLBYQGFN-OAHLLOKOSA-N	374.828	2.435	10	10	FECE	
O=C(O)/C=C\c1ccc(N2CCN(c3ccncc3)CC2)c([N+](=O)[O-])c1	746989664	PPRIFXUIIBGDTP-RQOWECAXSA-N	354.366	2.414	10	10	FECE	
COc1ccc(N2CCN(CCNC(=S)NC3(C)CCC3)CC2)cc1	840722272	HLHZCVHAADORRC-UHFFFAOYSA-N	362.543	2.224	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C(=O)O)C3CCC3)C2)cc1	854236938	ZBHPASCCYWRFFK-WMLDXEAASA-N	361.442	2.074	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(CN)cc3F)C2)cc1	851668005	BRKXMNHEXXMULF-INIZCTEOSA-N	372.444	2.371	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cn3cnc4c3CCCC4)CC2)cc1F	758319596	ONNOWDXECSNABD-UHFFFAOYSA-N	372.444	2.258	10	10	FECE	
CC(=O)c1cc(F)cc(CN[C@H]2CS(=O)(=O)Cc3ccccc32)c1O	856789890	RMVKLOXEZZYYJB-KRWDZBQOSA-N	363.410	2.493	10	10	FECE	
C[C@@]12COC[C@@H]1CN(C(=O)NCc1ccc(N3CCSCC3)cc1)C2	851992081	YNJVYQYHSLFJRY-QFBILLFUSA-N	361.511	2.418	10	10	FECE	
COc1cc(Br)cc([C@@H](C)N[C@H](CO)c2ccnn2C)c1O	858435613	MWFZQQWKTHEWAV-BXKDBHETSA-N	370.247	2.281	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCC3(C)CCN(C)CC3)C2)cc1	854298629	HFRCYUDONOZQTH-INIZCTEOSA-N	360.502	2.305	10	10	FECE	
C[C@H](NC(=O)N1C[C@H]2CC[C@H]1[C@@H](CO)C2)c1ccc(N2CCOCC2)cc1	852012983	QQCFIJSQYOGXNM-YTXYEVPYSA-N	373.497	2.387	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@H]1C[C@H]2CC[C@H]1O2	768532431	FURCJSGXPZDSPA-QHAWAJNXSA-N	369.509	2.402	10	10	FECE	
COc1ccc(N2CCN(C(=O)C3CC4(CSC4)C3)CC2)c(OC)c1	870165954	DKNKYKVAMOFNBC-UHFFFAOYSA-N	362.495	2.496	10	10	FECE	
CNS(=O)(=O)CCCOC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	777046037	ONAWEWYUHOVREB-UHFFFAOYSA-N	364.467	2.499	10	10	FECE	
C[C@H](NC(=O)c1cccc(N2CCN(C)CC2)n1)c1ccc(N(C)C)cc1	775403782	KUAASMZBQJRHBG-INIZCTEOSA-N	367.497	2.390	10	10	FECE	
COC(=O)[C@@H]1C[C@H](NC(=O)c2cc(C)n(-c3ccccn3)c2C)[C@H]2C[C@H]21	886416409	GSXRAQGORWIQAS-TWMKSMIVSA-N	353.422	2.417	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNc3nccn4ccnc34)cc2)CC1	893400520	FOPJQFXQXXWWRK-UHFFFAOYSA-N	350.426	2.010	10	10	FECE	
C[C@@H]1CO[C@@H](C(F)(F)F)CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1	796304881	LMLKADWBCKDHHQ-CZUORRHYSA-N	373.419	2.363	10	10	FECE	
COC(=O)CC[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)c(O)c1	1153372865	BLPZUKLQXUEEBB-MRXNPFEDSA-N	357.406	2.321	10	10	FECE	
CCc1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1O	1157823184	SVXJZCMPBAVPJX-UHFFFAOYSA-N	350.396	2.284	10	10	FECE	
COc1cccc([C@H](NC(=O)Cc2ccc(O)c(O)c2)c2nccn2C)c1	1168599429	VKCZPAFWHQTYID-IBGZPJMESA-N	367.405	2.288	10	10	FECE	
CCOc1ccc(N2CCN(S(=O)(=O)c3cscn3)CC2)cc1	1332105828	MUBIAOMUFDABOW-UHFFFAOYSA-N	353.469	2.053	10	10	FECE	
COc1c(Br)cc(Br)cc1[C@H](O)C(=O)C(C)=O	1919077550	YYNZJLJYVHMXFF-JTQLQIEISA-N	366.005	2.412	10	10	FECE	
C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1O	1454795488	KVHCMHGINVIFRN-LLVKDONJSA-N	368.842	2.201	10	10	FECE	
Cc1cc(C(=O)NCc2cc(O)nc(O)n2)c(C)n1-c1ccc(F)cc1	1469438977	QWNVYARGGZZBCW-UHFFFAOYSA-N	356.357	2.364	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)N[C@@]23C[C@H]2COC3(C)C)N(C)C)cc1	1479535803	YXCFGOMRBHVLIU-KNBMTAEXSA-N	360.502	2.222	10	10	FECE	
CC(C)C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)Nc1nccs1	1545884181	MMPVZINCGUCSBA-GFCCVEGCSA-N	363.439	2.266	10	10	FECE	
COCCOC(=O)C[C@@H](CNC(=O)c1ccc(C)c(O)c1O)CC(C)C	1639269497	DWOXXCOXRYDAEG-AWEZNQCLSA-N	367.442	2.378	10	10	FECE	
CC(C)(C)OC(=O)NCCc1n[nH]c(=NCc2ccc(F)c(F)c2O)o1	2138815701	BTQQATCHDXUQLE-UHFFFAOYSA-N	370.356	2.155	10	10	FECE	
COc1ccc(N2CCN(Cc3cc(=O)n4cc(C)ccc4n3)CC2)cc1	7241774	GVXJBSDPZUIISM-UHFFFAOYSA-N	364.449	2.334	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)C[C@H](O)CNC(=O)OC(C)(C)C	1968792388	RDDWUXOLWJDQDT-STQMWFEESA-N	352.431	2.187	10	10	FECE	
CNCc1ccc(N(C)CCS(=O)(=O)C(C)C)cc1Br	2170443517	MRKBMFRRLGKFSR-UHFFFAOYSA-N	363.321	2.428	10	10	FECE	
CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc(CO)c([N+](=O)[O-])c1	2188577074	QULQLNFDDXEPIC-HXUWFJFHSA-N	371.437	2.160	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](NCc3cc(F)ccc3O)[C@H]2C1	2057955605	ZNRFCPYEUNUENF-YCPHGPKFSA-N	352.406	2.255	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1	2060633163	KISZAFSEIUEQKB-UHFFFAOYSA-N	354.455	2.134	10	10	FECE	
CN1CCCc2cc([C@H](N)CN3CC(NC(=O)OC(C)(C)C)C3)ccc21	2112998238	LGZKFCFLTUCXCZ-QGZVFWFLSA-N	360.502	2.278	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@]1(C)C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2218737654	JMNMBAGPCPIZID-BFQNTYOBSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-])[C@@H]1CCCO1	2218743908	HGOFDDRXUAMONV-VOAKCMCISA-N	353.423	2.406	10	10	FECE	
COc1ccc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@H](CO)[C@H]3C2)cc1F	2227307512	IFNZTQLGQXNAIH-IVMMDQJWSA-N	366.433	2.498	10	10	FECE	
O=C(O)c1cc(N=Nc2c(C(=O)O)nc3cc(CO)ccn23)ccc1O	2295926630	OEYIZBWDLAXIMP-UHFFFAOYSA-N	356.294	2.344	10	10	FECE	
COC[C@]1(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)C=CCN1C(=O)OC(C)(C)C	2336339106	WDCSRFNAUIGWQT-GUYCJALGSA-N	365.434	2.480	10	10	FECE	
O=C(O)[C@]1(NCc2ccc3c(c2)CCO3)CCN(Cc2ccccc2)C1	2345648647	FTCOXUASYKTBBN-NRFANRHFSA-N	352.434	2.440	10	10	FECE	
COc1cccc2c1OCC(/C=C1/SC(N3CCOCC3)=NC1=O)=C2	8488208	NVJZTTNHJXJKRF-XNTDXEJSSA-N	358.419	2.317	10	10	FECE	
COCCCNC(=O)/C(=C\c1ccc(N(C)C)cc1)n1ccccc1=O	23485294	LFQWQGWLBXNADA-OBGWFSINSA-N	355.438	2.065	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	74190161	BYGCMZVCCUNWOM-AZUAARDMSA-N	366.465	2.326	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@H]3CCOC[C@H]3C)cc2F)CC1	194309746	GNYBDZMWTUDUAP-WBVHZDCISA-N	363.477	2.256	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(=O)Nc3cc(C)ccc3F)CC2)cc1	80241230	IWUMXSWUNAEORB-UHFFFAOYSA-N	371.412	2.430	10	10	FECE	
CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H]1NCc1cccc(O)c1O	385449419	XVICFGPVXLNJDA-BPLDGKMQSA-N	352.431	2.258	10	10	FECE	
CCCN[C@H]1C(=O)Nc2cc(N(C)[C@H](C)CO)c(Br)cc21	252803177	ASHXMTBXOHODDF-YMTOWFKASA-N	356.264	2.259	10	10	FECE	
O=C1C[C@H]([C@H]2CCCCN2Cc2cc(Cl)cc([N+](=O)[O-])c2O)CN1	367541329	GGZSNRZLMUMQLS-GXFFZTMASA-N	353.806	2.444	10	10	FECE	
CCC(=O)N1CSC[C@H]1C(=O)NCc1cc(Br)ccc1O	804736634	WLYCYEKKCUSBLV-NSHDSACASA-N	373.272	2.082	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCc1ccc(N3CCOCC3)cc1)C2	818234697	QOBDWLZMWDCSPO-WDSOQIARSA-N	359.470	2.232	10	10	FECE	
O=S1(=O)CCN(Cc2cccc(Br)c2O)[C@@H]2CCC[C@H]21	825203124	XRJKRRPJMPVJPW-CHWSQXEVSA-N	360.273	2.306	10	10	FECE	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCc2cn(C)nn2)cc1	824775941	CPUAFEWJUXYODJ-IBGZPJMESA-N	371.485	2.022	10	10	FECE	
C/C(=C\C(=O)NCc1cc(Br)ccc1O)CN1CCOCC1	908170295	MXSVIMAAIOJYSF-XYOKQWHBSA-N	369.259	2.049	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3CCC[C@@H](CO)C3)C2)cc1	824681871	QQROKXJGXZJFBF-BRWVUGGUSA-N	361.486	2.372	10	10	FECE	
Oc1ccccc1CN(Cc1cnnn1[C@@H]1CCCNC1)C[C@@H]1CCCO1	903905638	KOMUOPZMNWXGKX-MJGOQNOKSA-N	371.485	2.089	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)NCC1(C2(O)CCOCC2)CC1	919081286	JTZAPDKCODHVDG-UHFFFAOYSA-N	361.486	2.182	10	10	FECE	
COc1ccc(N2CCN(c3nc(C4CCOCC4)no3)CC2)cc1F	840273004	BNWIRAGFEQQYDG-UHFFFAOYSA-N	362.405	2.438	10	10	FECE	
CCO[C@@H]1C[C@@H](NC(=O)NCc2cc(Cl)ccc2O)[C@H]1n1cccn1	845223096	HMZGWGZRYKSMAS-FVQBIDKESA-N	364.833	2.460	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2C[C@@H](N)CCc3ccccc32)cc1	852755178	GESGCBGPNSFWAH-SFHVURJKSA-N	352.482	2.149	10	10	FECE	
O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1cncc(Cl)c1	757926551	TUAQDABYLKSSRM-UHFFFAOYSA-N	353.831	2.372	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCOC[C@H]3CC(F)F)C2)cc1	854297612	PDQGYSXGLFBWNH-UKRRQHHQSA-N	369.412	2.340	10	10	FECE	
CC[C@@H](NC[C@]1(OCCO)CCOC1)c1cc(Br)ccc1O	850507417	JJFMNQLFWIOGHA-GDBMZVCRSA-N	374.275	2.363	10	10	FECE	
Cc1ccc(C(=O)N2C[C@H]3C(=O)OC[C@H]3C2)cc1-n1c(C)cc(C=O)c1C	863753864	KDWNFZQDWJDCLN-QZTJIDSGSA-N	366.417	2.460	10	10	FECE	
O=C1N[C@H](C[C@@H]2CCCOC2)C(=O)N1CCCSc1nccs1	863504617	USCNTXSDDMIXNZ-NWDGAFQWSA-N	355.485	2.362	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](F)C(=O)NCc2ccc(O)c(O)c2)C1	860243226	HEJGTAJLGWHFBX-IUODEOHRSA-N	368.405	2.309	10	10	FECE	
C[C@](O)(C[C@@H](O)CNCc1ccc(N2CCSCC2)cc1)C1CC1	872201356	XXGZQRFTSZKRTG-MOPGFXCFSA-N	350.528	2.241	10	10	FECE	
Cn1cc(Br)c(CNC(=O)NCc2c(O)cccc2F)n1	1228636208	CGJOUHNZKKJNDT-UHFFFAOYSA-N	357.183	2.027	10	10	FECE	
COc1ccc(O)c(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c1	2116275173	TXCRZTGJOGFIKA-GOEBONIOSA-N	366.458	2.108	10	10	FECE	
COc1ccc(CNC[C@@H]2C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1	2116205913	OPXIFLOKOIIRPN-XGWLTEMNSA-N	366.458	2.155	10	10	FECE	
C[C@H](N=c1nc(CCNC(=O)OC(C)(C)C)[nH][nH]1)c1ccc(F)cc1O	2126782857	BFLGDGRSGBWCLT-JTQLQIEISA-N	365.409	2.312	10	10	FECE	
CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2124504086	UWNLPIDSKYVFCG-KBPBESRZSA-N	368.482	2.380	10	10	FECE	
Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)NCC1(CN=[N+]=[N-])CC1	2124512888	OPGYORMLHHGDCN-UHFFFAOYSA-N	363.422	2.265	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C1	2124543297	PPRRXRVDXZAEPG-GUYCJALGSA-N	367.450	2.297	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cc1nc(C2CC2)nn1C	1264287429	XLZKIEZKTUZUJO-UHFFFAOYSA-N	353.470	2.494	10	10	FECE	
CCc1noc(C)c1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	1538131914	RWQKVIYRAAFCGC-UHFFFAOYSA-N	370.453	2.177	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])cc(C)n3)CC2)cc1F	1465930002	AYXNXNSZPYHEEQ-UHFFFAOYSA-N	374.372	2.408	10	10	FECE	
CC(C)n1ccnc1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	1625273004	BHKCTXHAGRBHJO-INIZCTEOSA-N	369.469	2.096	10	10	FECE	
C[C@@H]1[C@@H](NC(=O)CCCF)CCN1C(=O)c1ccc(N=NC(N)=O)cc1	1719637492	ZRTYTKKHQACODE-RISCZKNCSA-N	363.393	2.318	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)N(C)C)cc1	1647080508	GBWWDHROULUAHX-KRWDZBQOSA-N	372.425	2.399	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)c1	1583356615	SKLQRYOEWOGSJF-DJWKRKHSSA-N	370.340	2.091	10	10	FECE	
COc1ccc(N2CCN(C(=O)CNC(=O)[C@@H](C)C3CCCC3)CC2)cc1	1868876367	FVULJCZHSUVVEB-INIZCTEOSA-N	373.497	2.286	10	10	FECE	
Cc1cc(N=Nc2ccccc2)c(NC[C@H](O)[C@H](O)[C@@H](O)CO)cc1C	253982907	NARUXRZZSJCXFJ-FHWLQOOXSA-N	359.426	2.206	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)[C@@]1(O)CN(C(=O)OC(C)(C)C)[C@@H]1C	1887682685	BAYWSODIWYUXPS-YXKFXFPPSA-N	361.486	2.310	10	10	FECE	
COc1cccc(CNCC2(CCO)CN(C(=O)OC(C)(C)C)C2)c1O	1972793597	FBZJPXGJTSSLHS-UHFFFAOYSA-N	366.458	2.110	10	10	FECE	
O=C(NC1CC(NC(=O)c2cccc(O)c2O)C1)OCc1ccccc1	1982319291	ULFBPHXMJVBWQA-UHFFFAOYSA-N	356.378	2.285	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)C1	2060639366	HFJMEBNFSVMWDA-QWHCGFSZSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C(=O)NCC2(CN=[N+]=[N-])CC2)C1	2073948548	BIKLHGOBLDRWNX-NEPJUHHUSA-N	353.423	2.265	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(CNCc2ccc(F)cc2O)C1	2084178224	ZLNORLPIDIAWTM-SFHVURJKSA-N	354.422	2.383	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CC(O)(C(F)F)C3)ccc(N)c2C1	2115492147	KEPIAMKUIPAELA-UHFFFAOYSA-N	369.412	2.378	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@H]4C[C@]4(CN)C3)ccc(N)c2C1	2272653172	LRNARXNISZZZKF-XCLFUZPHSA-N	358.486	2.347	10	10	FECE	
COC[C@@]1(C(=O)N(C)CCCN=[N+]=[N-])C=CCN1C(=O)OC(C)(C)C	2314772093	KQJRTIWJVSMWLL-MRXNPFEDSA-N	353.423	2.337	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccnn1C	2315987493	USQYEGLLJGESTN-GFCCVEGCSA-N	351.411	2.145	10	10	FECE	
CCc1ncc2c(n1)CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)CC2	106377278	KYJZTICELQKXAD-UHFFFAOYSA-N	367.497	2.122	10	10	FECE	
C[C@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)CN1CCCC1	108780070	HLCDGHQBORJQCM-AHKGRUIUSA-N	357.498	2.385	10	10	FECE	
CCc1n[nH]c([C@@H]2CN(Cc3cc(Br)ccc3O)CCO2)n1	129218104	XFZPOOXKQSXLAR-ZDUSSCGKSA-N	367.247	2.409	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](CNCc2ccc3c(c2)CCO3)N2CC[C@H]1C2	2368810068	GNPZVRLJSXDUAT-ZWKOTPCHSA-N	373.497	2.405	10	10	FECE	
COc1ccc(N2CCN(c3nccc(C(=O)N4CCCC4)n3)CC2)cc1	244317462	XGJFHLQWMHIRMV-UHFFFAOYSA-N	367.453	2.048	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCOC[C@@H]1C[C@H](O)c1ccco1	272675067	QWGYGBAYFQTZHO-PRIUCCMZSA-N	359.378	2.055	10	10	FECE	
O=C(OCc1ccccc1)N1C[C@@H](c2cccc(O)c2O)[C@@H]([N+](=O)[O-])C1	382740628	ZGHPATGSQWQMIX-GJZGRUSLSA-N	358.350	2.479	10	10	FECE	
Cc1cccc(CNC(=O)C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)n1	817503948	LWJKWMCFVDSOHV-INIZCTEOSA-N	368.481	2.128	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Nc3cn(C)c(=O)cc3C)C2)cc1	821747658	QNAMZAYWGGZYRY-CQSZACIVSA-N	356.426	2.103	10	10	FECE	
Cc1nc(CN2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)cs1	588403420	MUOOYGATEBXPHZ-HYXAFXHYSA-N	359.451	2.220	10	10	FECE	
Cc1nnc(COC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)o1	913224401	SXSXUZDKXIIVAX-UHFFFAOYSA-N	363.329	2.093	10	10	FECE	
COC(=O)C12CC(C(=O)NCc3cc(Br)ccc3O)(C1)C2	843885987	MDBINZKXDIMFFR-UHFFFAOYSA-N	354.200	2.114	10	10	FECE	
Cn1cnc(CCCNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1	842736339	BANKVCGJGVJZRE-UHFFFAOYSA-N	358.446	2.436	10	10	FECE	
COC(=O)c1ccccc1N(C)S(=O)(=O)c1cc(F)cc(F)c1O	753020296	QCYRKBBWBKOFSX-UHFFFAOYSA-N	357.334	2.282	10	10	FECE	
COC(=O)[C@@H](CNC(=O)NCc1ccc(OC)cc1O)Cc1ccccc1	924953411	ZTPSIJUSRJAANM-MRXNPFEDSA-N	372.421	2.232	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3sccc3-n3ccnn3)C2)cc1	855225786	QFLWSYSMTPSFIJ-CYBMUJFWSA-N	369.450	2.346	10	10	FECE	
C[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1nccn1C	852689628	HWMFLYCKJYMJCO-HNNXBMFYSA-N	371.485	2.189	10	10	FECE	
Cc1cc(CC(=O)Nc2nc(SCCO)n[nH]2)c(C)n1-c1ccccc1	857154574	IJDJICXNQOBECD-UHFFFAOYSA-N	371.466	2.478	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2Cc3cnn(C)c3CC(C)(C)C2)cc1	854058007	FOIIMUQSCKLCME-UHFFFAOYSA-N	369.513	2.187	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3cccnc3N(C)C)C2)cc1	851958964	MVSNPQVURBNKSV-INIZCTEOSA-N	369.469	2.234	10	10	FECE	
COc1ccc(N2CC[C@@H](N[C@H](C)C3CCS(=O)(=O)CC3)C2)cc1	850489189	RWKWMXYGHSUAEA-GDBMZVCRSA-N	352.500	2.077	10	10	FECE	
O=C1NCCN1Cc1ccccc1NC(=O)N1Cc2cccc(O)c2C1	930727027	UOVCUOMMYJPUSA-UHFFFAOYSA-N	352.394	2.465	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC3(CN(C)C(=O)O3)C2)c1	862017779	BSOLKFZSOBAACC-UHFFFAOYSA-N	367.405	2.183	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)c1ccnn1C	867346309	YMKYIKPEOAHEMT-OAHLLOKOSA-N	371.485	2.101	10	10	FECE	
C[C@H]1Cc2cc(C(=O)N3Cc4cccc(O)c4C3)ccc2N1S(C)(=O)=O	871197945	ARMIERCYTPYDKC-LBPRGKRZSA-N	372.446	2.259	10	10	FECE	
Cc1ccc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)c(C)n1	894597307	XTEDUBBELQVWNX-UHFFFAOYSA-N	366.465	2.330	10	10	FECE	
COC(=O)[C@@H]1[C@@H](CNCc2cccc(Br)c2O)C1(F)F	894571208	NUABEJRIRMHDFX-SCZZXKLOSA-N	350.159	2.299	10	10	FECE	
COC[C@H](CCNCc1c(C(=O)OC)n(C)c2ccc(F)cc12)OC	895229122	RQCAMKGWVLVQMN-ZDUSSCGKSA-N	352.406	2.245	10	10	FECE	
CN(C)c1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc(Cl)n1	783666956	DBUHHWUDCOMPDY-UHFFFAOYSA-N	350.758	2.252	10	10	FECE	
CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc2cc(O)c(O)cc2s1	1154224706	FVEUCCLRRGXQEO-CYBMUJFWSA-N	370.430	2.400	10	10	FECE	
C[C@H](N[C@H](C)c1nc(-c2nc[nH]n2)no1)c1ccc(N2CCOCC2)cc1	1307641601	HSZPNRJNQHNDEF-QWHCGFSZSA-N	369.429	2.103	10	10	FECE	
CN1CCc2cc([C@@H](CN)N3CC4(CN(Cc5ccccc5)C4)C3)ccc21	706614550	HJGLLKDJTFFWLK-JOCHJYFZSA-N	362.521	2.497	10	10	FECE	
CS(=O)(=O)CC1(CCNCc2c(O)cccc2Br)CC1	706835597	AHOXLNKBSVRUAJ-UHFFFAOYSA-N	362.289	2.459	10	10	FECE	
O=C(NCc1cccc(O)c1O)c1ccc(CN2CCC(CO)CC2)cc1	1347234749	PFUOOCFSXBDMJM-UHFFFAOYSA-N	370.449	2.232	10	10	FECE	
O=C(O)c1csc(CCNCc2ccc(N3CCOCC3)c(F)c2)n1	1261845447	BGOUAKZJSUWEFC-UHFFFAOYSA-N	365.430	2.149	10	10	FECE	
CNCCCC(=O)N1CCC(NCc2ccc(N3CCCC3)cc2)CC1	1347206783	HBTQICUMKUDPTK-UHFFFAOYSA-N	358.530	2.367	10	10	FECE	
COC(=O)[C@]1(O)CCN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1	1471529599	XBMYHXLTOKGUMY-NRFANRHFSA-N	370.449	2.461	10	10	FECE	
COc1ccc(-c2cc(C(=O)NCc3c(O)cccc3O)n[nH]2)cc1OC	1472063644	MULCVRHQKQMSRA-UHFFFAOYSA-N	369.377	2.435	10	10	FECE	
C[C@@H](NC(=O)Cn1c(S)nc2ccccc2c1=O)c1ccccc1O	1557967237	XWACJBWASUTKCV-LLVKDONJSA-N	355.419	2.268	10	10	FECE	
NS(=O)(=O)c1ccc(CC(=O)NCc2c(O)ccc3ccccc23)cc1	1635965096	MASSESCORRWRAZ-UHFFFAOYSA-N	370.430	2.052	10	10	FECE	
CCN(CC)c1ccc(CNCC(=O)Nc2nnc(COC)s2)cc1	1857852990	CQDRZVAZPVHFFG-UHFFFAOYSA-N	363.487	2.259	10	10	FECE	
Nc1ccc(OCCNS(=O)(=O)CCCOCc2ccccc2)cc1	310973950	HOAXBSJPPZWJBP-UHFFFAOYSA-N	364.467	2.174	10	10	FECE	
Cc1cccc(O)c1CN[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO	2052717417	RGTOIGWXGYAALG-HOCLYGCPSA-N	350.459	2.408	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1cncs1)C(=O)N1CC[C@@H](N=[N+]=[N-])C1	2060610733	KYPYWPDTVQUAHV-ZYHUDNBSSA-N	366.447	2.490	10	10	FECE	
C[C@H](N=c1[nH]nc(CNC(=O)OC(C)(C)C)o1)c1cc(O)ccc1O	2083273875	ZFMRULWNPDERFS-VIFPVBQESA-N	350.375	2.101	10	10	FECE	
CN1CCc2cc([C@@](C)(N)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)ccc21	2106856630	BQFGGWMKLHUQKP-YLJYHZDGSA-N	361.486	2.489	10	10	FECE	
CN(CCn1cnc(C(=O)N(C)CCN=[N+]=[N-])c1)C(=O)OC(C)(C)C	2218301608	OBPMRHRAPOJNNY-UHFFFAOYSA-N	351.411	2.132	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1ncco1	2277811034	XEOSZCADPSOKRR-NSHDSACASA-N	363.370	2.160	10	10	FECE	
CNC(=O)c1cncc(C=CC(=O)N(C[C@@H]2CCCO2)c2ccncc2)c1	2297573963	VHLRDESTTFVLKF-SFHVURJKSA-N	366.421	2.062	10	10	FECE	
C[C@H]1C[C@@H](N(C)C(=O)C=Cc2ccc(N3CCOCC3)cc2)CCN1C	2297638041	LOZMJZCDJZSVCA-PXNSSMCTSA-N	357.498	2.478	10	10	FECE	
Cc1cccc(CNS(=O)(=O)c2cncc(Br)c2)c1O	1186431510	CCSPMNWUHZQCCD-UHFFFAOYSA-N	357.229	2.337	10	10	FECE	
C[C@@H](NC(=O)[C@@H]1OCC[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O	827956232	INKJMJHIJOXECU-OSAQELSMSA-N	350.415	2.252	10	10	FECE	
C[C@H](NC(=O)/C=C/c1ccc(N2CCOCC2)cc1)C(=O)N1CCCCC1	108725703	YPRGYXIJVCYFAD-JEJOPICUSA-N	371.481	2.054	10	10	FECE	
Cc1cc(O)c(CNCc2cccc([C@]3(C)NC(=O)NC3=O)c2)cc1C	174330556	LYTOOIXRIRWXJW-FQEVSTJZSA-N	353.422	2.353	10	10	FECE	
Nc1ccc(OCCNS(=O)(=O)c2cccc(Br)c2)cc1	38079626	SWAZVISGRMBBKH-UHFFFAOYSA-N	371.256	2.389	10	10	FECE	
COc1ccc(O)c(CNS(=O)(=O)c2ccc(C(F)(F)F)nc2)c1	182052721	WVVDXBIDHKUROR-UHFFFAOYSA-N	362.329	2.293	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN(c2ncccn2)CC1	45711976	LELATMVTBJSXQL-UHFFFAOYSA-N	368.485	2.353	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2C[C@H](c3ccsc3)[C@@H](CO)C2)cc1	249556172	JVDUWIFJWGLESL-IEBWSBKVSA-N	373.522	2.138	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)c3nc(C)sc3C)cc2)CC1	276056729	BCGVEGXLSGZXOL-UHFFFAOYSA-N	372.494	2.358	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)N[C@@H]1CCc2c[nH]nc2C1	805200718	FOVHETMJMZPZBF-GFCCVEGCSA-N	365.231	2.235	10	10	FECE	
C[C@@H](NC(=O)N1CC2(CCOCC2)C1)c1ccc(N2CCOCC2)cc1	813606525	SNDVTBUXHLNNHH-MRXNPFEDSA-N	359.470	2.406	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3(C(F)(F)F)CC3)cc2)C1	726144778	XQLFDUFPSSDGQT-ZDUSSCGKSA-N	369.387	2.347	10	10	FECE	
CN1CCCc2cc(CNC(=O)c3cccc(Nc4nn[nH]n4)c3)ccc21	900433783	QAYAKNPXJMWGBJ-UHFFFAOYSA-N	363.425	2.256	10	10	FECE	
Cn1nccc1[C@@H](CO)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	839180282	SBGYNAWMZYWTHF-OAHLLOKOSA-N	359.430	2.142	10	10	FECE	
COC(=O)c1cn([C@H]2CCN(C/C=C\c3ccc(N(C)C)cc3)C2)nn1	835044384	BQDXTRQJQBRYHG-CHYADLBTSA-N	355.442	2.091	10	10	FECE	
CN(C)c1ccc([C@@H](N)CNC(=O)CCc2ccc3c(c2)OCCO3)cc1	832292781	MQLSIORNPRCDRW-SFHVURJKSA-N	369.465	2.273	10	10	FECE	
O=C(NCc1ccccc1O)NCC1(n2cc(Br)cn2)CC1	915525074	LPDSCRCIBHXIQD-UHFFFAOYSA-N	365.231	2.340	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(-c2ccoc2)[nH]n1	919863828	ZOHFGGKMRONDKR-UHFFFAOYSA-N	352.394	2.436	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3ccc(C)nc3C)CC2)cc1	742919122	DXSUCLCEVUBMHY-UHFFFAOYSA-N	368.481	2.259	10	10	FECE	
CC(C)[C@@H](N)CNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	841868915	JHVPSOJFDSNSDJ-FQEVSTJZSA-N	373.545	2.001	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@@H](C)CC3)CC2)cc1	754010949	ADEOBELKCUMIRG-UYAOXDASSA-N	361.530	2.300	10	10	FECE	
CNS(=O)(=O)c1ccc(CCNCc2ccc(N(C)C)c(F)c2)cc1	865819405	SVCVXVJPFLGMQF-UHFFFAOYSA-N	365.474	2.132	10	10	FECE	
COc1ccc(O)c([C@@H](C)N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)c1	866492549	PNPPNMLROICUND-CSMYWGQOSA-N	368.499	2.444	10	10	FECE	
COc1ccc(N2CCN(C(=O)/C=C\COC3CCOCC3)CC2)cc1	864471178	YNDIQARXBYVZNF-IHWYPQMZSA-N	360.454	2.096	10	10	FECE	
Cc1cc(CC(=O)NC[C@@H]2CCO[C@@H]2C(=O)O)c(C)n1-c1ccccc1	864215672	VAMOZMCRGPCKPX-KXBFYZLASA-N	356.422	2.243	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@]3(C4CCCC4)CCNC3=O)C2)cc1	862158873	NATSVGYOYQEITO-IIBYNOLFSA-N	371.481	2.087	10	10	FECE	
CNC(=O)c1cccc(OCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	773013352	DOVHIIORXYUEGN-AWEZNQCLSA-N	355.438	2.368	10	10	FECE	
CC(=O)C(C)(C)CCC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	899471895	DCKHCLOWAZOCFR-UHFFFAOYSA-N	373.497	2.400	10	10	FECE	
COC(=O)c1ccc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)nc1	1331846063	DQRVXXBAJZULDC-UHFFFAOYSA-N	370.409	2.231	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3Cc4cccnc4C3)CC2)c(OC)c1	1350029205	WRPUWAFYPXZEEK-INIZCTEOSA-N	367.449	2.162	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](CO)[C@@H](O)c2cccnc2)cc1	1454668275	JTDMCNISWCVOSA-PMACEKPBSA-N	365.433	2.313	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1	1626837861	HKNWRUXZSSNCTL-UHFFFAOYSA-N	354.322	2.122	10	10	FECE	
O=C(Cn1cc(Br)cn1)NCc1ccc2cccnc2c1O	1570531329	CVOCPRYCKDOQCQ-UHFFFAOYSA-N	361.199	2.216	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@H]2CCCO2)n1CCc1cn[nH]c1	1747754357	QNQYGBRZTAGHJP-QGZVFWFLSA-N	368.441	2.437	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)OC)O2)cc1	1587459904	LKMYDUZQLNECPT-ZTFGCOKTSA-N	362.470	2.458	10	10	FECE	
COC[C@@H]1CN(c2nnc(C)n2CCCSc2nccs2)CCO1	1749542574	HYMUWLTZEPQOIE-ZDUSSCGKSA-N	369.516	2.077	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCOC3(CCOCC3)C2)c([N+](=O)[O-])c1	1772898547	CBARNCRHYQUXPB-HYXAFXHYSA-N	362.382	2.167	10	10	FECE	
CCc1nnc(N2CCC(CO)CC2)n1Cc1ccc2c(c1)CCCN2C	1694678412	ABNTVCYQXUAJEF-UHFFFAOYSA-N	369.513	2.480	10	10	FECE	
Cc1cc(/C=C/C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c(C)n1-c1ccccc1	152592814	FTWCOYVVXMEDFU-GWDHXLPESA-N	367.449	2.256	10	10	FECE	
COC1(CN[C@H](C)c2cc(O)ccc2O)CN(C(=O)OC(C)(C)C)C1	2040145314	IMGWYNFNIDTPFB-GFCCVEGCSA-N	352.431	2.384	10	10	FECE	
COc1ccc(O)c(CN[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@H]3CCO[C@H]32)c1	311293849	HABOFGPVRNTYEK-MWQQHZPXSA-N	364.442	2.171	10	10	FECE	
Nc1ccc(OCCC(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cc1	398410046	SHZJPJPBTNSCFR-KXTWHKPSSA-N	351.450	2.284	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)c1nc(=NCc2cccc(F)c2O)[nH][nH]1	2066589697	AZKGBACVEBSESU-VIFPVBQESA-N	351.382	2.269	10	10	FECE	
COC(=O)[C@@H](CCNCc1ccc(F)cc1O)NC(=O)OC(C)(C)C	2084177444	SMUFZWYLLJGVQK-CYBMUJFWSA-N	356.394	2.077	10	10	FECE	
CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccc(O)c(O)c1	2084785425	SUPFLYNGBFCUKB-SMDDNHRTSA-N	368.455	2.179	10	10	FECE	
CN[C@@H](c1ccc2c(c1)CCN2C)C1(O)CC(NC(=O)OC(C)(C)C)C1	2106852800	JXWMEEXETBLMCK-CMVHYPBASA-N	361.486	2.358	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NCc3c(O)cccc3F)CO[C@H]1C2	2255112178	AXPQAVHMNZJUTH-XUWXXGDYSA-N	352.406	2.446	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@@]2(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1	2278889212	ZZUORGLNBBALKE-GDZNZVCISA-N	365.434	2.171	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)OC(C)(C)C	2315987433	SQEGYAONSGKTSM-AVGNSLFASA-N	353.423	2.312	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@@H]1CO[C@]2(CNC(=O)OC(C)(C)C)C[C@H]1C2	2320054954	ZRVPCKBHJOACIP-HSMVNMDESA-N	353.423	2.075	10	10	FECE	
COc1cccc(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)c1O	179358963	HQVBMJHMHWMLNS-CRAIPNDOSA-N	372.396	2.376	10	10	FECE	
COC(=O)c1ccc(/C=C2/SC(=S)N([C@@H](C)C(=O)O)C2=O)cc1	33373183	RLCRWICJGCGKTD-LBTPYSACSA-N	351.405	2.148	10	10	FECE	
COc1cccc(CNC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c1O	266858131	RQMWZMUNQUTPEI-OAHLLOKOSA-N	355.394	2.006	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)N[C@H](C)c3cn[nH]c3)cc2F)CC1	270313382	QDMSBHLOHGTWOP-CQSZACIVSA-N	374.464	2.251	10	10	FECE	
COc1ccc(N2CCCN(C(=O)Nc3nccc(N(C)C)n3)CC2)cc1	373931543	WROZXSAGDMALQT-UHFFFAOYSA-N	370.457	2.295	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCCO1	292404821	LYOLAVVKFSALRZ-UHFFFAOYSA-N	359.348	2.389	10	10	FECE	
CC[C@@H]1C[C@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCO1	817877866	FYWHJBCMNVBVQM-VQIMIIECSA-N	373.497	2.317	10	10	FECE	
O=C1Cc2c(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)ccnc2N1	830899757	LLPOPKFLJXBWAM-AWEZNQCLSA-N	367.405	2.103	10	10	FECE	
C[C@H]1CC[C@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CS1	848531166	ODRYUAMIZWILLN-HOCLYGCPSA-N	354.541	2.295	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCN2C(=O)OCC[C@H]2C1	840481898	PQYVLTCHPKHLBN-QAPCUYQASA-N	374.485	2.228	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCn4c(cnc4C)C3)C2)cc1	855224437	GBCLRQRVVLQAKW-CVEARBPZSA-N	354.454	2.158	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CNCc4ccccc43)C2)cc1	852843724	FWGFXNUPBYZCLD-OXJNMPFZSA-N	351.450	2.277	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1	926635931	AXSXJQOJRXZZEW-FCEWJHQRSA-N	359.470	2.364	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cccc([N+](=O)[O-])c3N)C2)cc1	855232686	WZMRBTQUHPDKBV-LBPRGKRZSA-N	356.382	2.194	10	10	FECE	
Nc1c(Cl)cc(N2C(=O)N[C@@H](CCC3OCCO3)C2=O)cc1Cl	927217095	QEFOEPYDSLWNBR-JTQLQIEISA-N	360.197	2.154	10	10	FECE	
CCn1cc(CN(C)C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cn1	854300996	FYZSJPKNPLCIIJ-INIZCTEOSA-N	357.458	2.332	10	10	FECE	
CCO[C@@]1(C)C[C@H]1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	858154894	VGXJMOIWTVMIFR-AEFFLSMTSA-N	351.422	2.029	10	10	FECE	
Cc1cc(C(=O)CN2CC3CC2(CN)C3)c(C)n1-c1ccc2c(c1)OCO2	852756125	VFQNDJCDGRQYOC-UHFFFAOYSA-N	367.449	2.429	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@@H](C(F)(F)F)C3)C2)cc1	854300600	WPZJBCXZIDYMCF-SWLSCSKDSA-N	373.375	2.247	10	10	FECE	
CCN(C)C(=O)COC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	769663003	JIAFVCAMHIJEPH-UHFFFAOYSA-N	371.481	2.429	10	10	FECE	
COC(=O)N1CCC[C@H]([C@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2O)C1	775071420	AFCPPYHGDUGDOQ-AAEUAGOBSA-N	367.402	2.266	10	10	FECE	
COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)NCc2cc(OC)ccc2O)C1	776146288	YAAZOYHGVFXMEH-QWHCGFSZSA-N	365.430	2.067	10	10	FECE	
Cc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)c(F)c2)o1	773285524	MCYQEYFBZRMPGO-UHFFFAOYSA-N	354.403	2.042	10	10	FECE	
Oc1c(Br)cc(Br)cc1CN1C[C@H]2C[C@]2(O)C1	895651937	DSWLAINMHGPUDK-PELKAZGASA-N	363.049	2.484	10	10	FECE	
COC1(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CCC1	781798561	BLKIKPIGLJZBOZ-UHFFFAOYSA-N	357.498	2.404	10	10	FECE	
COC(=O)c1c(CN2CC[C@@H](N3CCCC3=O)C2)c2cc(F)ccc2n1C	894545220	NKPGSLCFGZJQEV-CQSZACIVSA-N	373.428	2.301	10	10	FECE	
C[C@H](NC(=O)[C@@H]1C[C@H](O)CCN1C(=O)OC(C)(C)C)c1ccccc1O	1877567723	OWRLKOACKUGSHN-GUTXKFCHSA-N	364.442	2.330	10	10	FECE	
COCCNc1nc(CC(=O)NCc2ccc3cccnc3c2O)cs1	1142731129	KYISVLPMKMYPNJ-UHFFFAOYSA-N	372.450	2.314	10	10	FECE	
CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)NCc2c(O)cccc2O)CO1	1304053943	WZIABZFLEWJQBT-CHWSQXEVSA-N	365.426	2.241	10	10	FECE	
Cc1cc(Br)cc(CN(C)C2CCS(=O)(=O)CC2)c1O	694194722	VHQWNMWQFRKZCH-UHFFFAOYSA-N	362.289	2.472	10	10	FECE	
C[C@]1(C(=O)NCc2cccc(O)c2O)CCCN1C(=O)c1ccccc1	1349076947	AUYKEVNXZDTVGG-HXUWFJFHSA-N	354.406	2.409	10	10	FECE	
CCOCc1nnc(N(C)Cc2ccccc2O)n1CC1(O)CCCC1	1503017718	MEAZRIWSNSDMQV-UHFFFAOYSA-N	360.458	2.462	10	10	FECE	
O=C(CCc1ccccc1N1CCOCC1)NCc1cccc(O)c1O	1520508641	IDAACVNIHVUEBF-UHFFFAOYSA-N	356.422	2.183	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NC[C@H](O)c1cccc(Br)c1	1626016483	NSDJBUKNYCUFGX-HNNXBMFYSA-N	366.211	2.253	10	10	FECE	
Cc1nc(O)c2ccc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc2n1	1556157586	FURYHPSOBYYPNA-JTQLQIEISA-N	353.378	2.416	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc2ncnc(O)c12	1566007934	MNBDALSLBZLIJA-UHFFFAOYSA-N	350.378	2.441	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)[C@@]3(O)CCCC(C)(C)C3)cc2)CC1	1651023924	HUOBZMBAKWBFLS-OAQYLSRUSA-N	359.514	2.386	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	2124298942	NCAWDJJXDLJAJX-KGLIPLIRSA-N	364.442	2.307	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(CO)cc1	1597567606	SYYUFXKLYMQYST-UHFFFAOYSA-N	363.797	2.353	10	10	FECE	
CC(C)COC[C@@H](O)CN[C@H](C)c1ccc(N2CCC(O)CC2)cc1	151409073	UBLGMUAEESJVNS-UZLBHIALSA-N	350.503	2.332	10	10	FECE	
C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1cc(O)c(O)c(O)c1	2132398906	AQBPYDLTSJUDKK-JTQLQIEISA-N	366.414	2.179	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@@H]1C[C@@H]1F	2136240757	PPVUUAGPPMVFBG-AVGNSLFASA-N	368.405	2.008	10	10	FECE	
COCCNC(=O)CCNCc1cc(Cl)cc(Br)c1O	708073960	XHJLYSSYAZVYGY-UHFFFAOYSA-N	365.655	2.050	10	10	FECE	
CN(C)c1ccc(CN=c2ccc(I)n[nH]2)cc1	2052497553	UWITVOQNSCTOKV-UHFFFAOYSA-N	354.195	2.181	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](CC(=O)C(=O)C[C@H]1C[C@H](N)C1)C(F)(F)F	2059441932	ROTFIROVOOSULT-DCAQKATOSA-N	366.380	2.345	10	10	FECE	
CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H]1CN(C2CC2)C[C@@H]1O	2106777737	WKHNOKNLSSLTQJ-MSOLQXFVSA-N	361.486	2.355	10	10	FECE	
Cc1cccc(CNC(=O)c2cn(C)nc2CNC(=O)OC(C)(C)C)c1O	2204606390	SGXIFUNMKGETJS-UHFFFAOYSA-N	374.441	2.389	10	10	FECE	
COc1cc(C=C2SC(NC(C)=O)=NC2=O)cc(Br)c1O	2294208497	LOXAITKVQMCGRE-UHFFFAOYSA-N	371.212	2.270	10	10	FECE	
O=C1C(=Cc2cccc(O)c2)SC(=S)N1CCCN1CCOCC1	2323708385	YLPWWKCZPYPQOQ-UHFFFAOYSA-N	364.492	2.316	10	10	FECE	
C[C@H](NC(=O)CCN(CCO)C(=O)OC(C)(C)C)c1ccccc1O	2319779035	PUWCGNXRHNCOJJ-ZDUSSCGKSA-N	352.431	2.189	10	10	FECE	
COc1ccc(N2CCN(C(=O)CCNC(=O)c3ccccc3)CC2)cc1	3333468	MNTAQJXKOYCXQF-UHFFFAOYSA-N	367.449	2.164	10	10	FECE	
Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc4c(c3)OCO4)C2=O)c1	6886438	FMIOCORUXMKKMM-ZSOIEALJSA-N	350.330	2.390	10	10	FECE	
C[C@H](N[C@H](C)CCN1CCN(C)CC1)c1ccc(N2CCOCC2)cc1	186604097	DIAPNJOYBPJZJV-MOPGFXCFSA-N	360.546	2.200	10	10	FECE	
CN(C)CCOC(=O)c1ccc(/C=C2\SC(=S)N(C)C2=O)cc1	39910081	JIBURAPJHVVWIH-RAXLEYEMSA-N	350.465	2.236	10	10	FECE	
COc1cc(N2CCN(C[C@@](C)(O)C(C)C)CC2)cc(OC)c1OC	187549643	WQXFBCFEGORRDY-LJQANCHMSA-N	352.475	2.241	10	10	FECE	
Cc1nc2cc(C(=O)O)ccn2c1/N=N\c1ccc(S(N)(=O)=O)cc1	71593221	LVKKQLYFJARKRD-HNENSFHCSA-N	359.367	2.404	10	10	FECE	
CC[C@H](CO)N1CCN(Cc2cc(Br)cc(OC)c2O)CC1	93739796	IWVWMGKXSGETTO-CQSZACIVSA-N	373.291	2.052	10	10	FECE	
CNC(=O)CCCNC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	444272720	YOPLVDSQOROHMH-UHFFFAOYSA-N	370.497	2.050	10	10	FECE	
CN(C)c1ccc(CN(C(=O)C[C@H]2CCCS(=O)(=O)C2)C2CC2)cc1	292888820	VOGVYXRPXYYZLO-MRXNPFEDSA-N	364.511	2.459	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N2CCCNC(=O)[C@@H]2C)CCCC1	649954016	JWLCLLKVAGFODV-AWEZNQCLSA-N	369.465	2.266	10	10	FECE	
Cc1ccncc1CN(C)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C	803686597	NFYUUJWVHLBWCO-UHFFFAOYSA-N	366.465	2.047	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CN(Cc3cc(F)ccc3O)CCO2)C1	816630035	LXFVLSYQLWMEBI-UHFFFAOYSA-N	352.406	2.353	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)N[C@@H](C)CCC3CC3)C2)cc1	829181440	FFWRIRNTMAWFOB-HOCLYGCPSA-N	359.470	2.085	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3cncc(Cl)c3)CC2)cc1	825472370	MNAPOKSHKFLNCH-UHFFFAOYSA-N	374.872	2.296	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)NCC[C@H](C)F)CC2)cc1	836483188	PEPONASKQJGDQX-INIZCTEOSA-N	366.481	2.255	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)Nc1nc2n(n1)CCCC2	836773691	DLTZQBVEOBHCRI-UHFFFAOYSA-N	366.219	2.404	10	10	FECE	
Cn1nccc1[C@@H](NCc1cc2c(cc1O)OCO2)C(=O)OC(C)(C)C	842774451	HADNXWMXXJYSGT-MRXNPFEDSA-N	361.398	2.027	10	10	FECE	
C[C@H]1CCn2ncc(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)c2C1	856209576	SPXJSIHNBWCJFB-HNNXBMFYSA-N	368.481	2.357	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCCN3C(=O)C(C)(C)C)C2)cc1	855233112	WVBJGFINXCMDOR-CRAIPNDOSA-N	373.497	2.427	10	10	FECE	
C[C@@H](CNC(=O)CN(C)Cc1ccccc1O)N(C)Cc1ccccc1O	929975453	HOTDUNKBHWMHHK-INIZCTEOSA-N	371.481	2.166	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCC(O)(C3CC3)C3CC3)C2)cc1	854297789	WZSVAYRJTKAMLH-INIZCTEOSA-N	359.470	2.124	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)C3(NC4CC4)CCC3)cc2F)CC1	852872297	DGULBLSDLRUFLB-UHFFFAOYSA-N	374.504	2.259	10	10	FECE	
CCOc1ccc(O)c(CN2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1	856534166	DONHDACACXCLLH-DLBZAZTESA-N	355.438	2.141	10	10	FECE	
C[C@H](NC(=O)/C=C\COC1CCOCC1)c1ccc(N2CCOCC2)cc1	865018173	HLRDLBLIROLKFA-KYVUIXNKSA-N	374.481	2.452	10	10	FECE	
COc1cc(O)c(CN2CCO[C@@H](c3noc(C4CC4)n3)C2)cc1OC	768445710	TVWHZZJJNJDILY-MRXNPFEDSA-N	361.398	2.243	10	10	FECE	
c1cc(N2CCOCC2)ccc1CN1CCO[C@H](c2noc(C3CC3)n2)C1	769244459	OLBXCVLXEXTFNV-SFHVURJKSA-N	370.453	2.357	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CC[C@H](C)[S@@](=O)CC2)c([N+](=O)[O-])c1	885807435	MXAPSEHZAQSUQD-JNJXSUMDSA-N	352.412	2.128	10	10	FECE	
COC[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C1CCOCC1	898583782	ZYTKPOCKGOULRK-LBPRGKRZSA-N	351.424	2.484	10	10	FECE	
CCn1[nH]c(C)nc1=NC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1	1164005902	JPPGRBLJWFFBSQ-UHFFFAOYSA-N	365.437	2.430	10	10	FECE	
C[C@H](O)c1ccc(N(C)[C@@H](C)CS(C)(=O)=O)cc1Br	688603825	WHMVHRZDVZKCRH-UWVGGRQHSA-N	350.278	2.372	10	10	FECE	
C/C(=C\c1cccnc1)C(=O)N1CCOc2ccc(S(C)(=O)=O)cc21	1435464469	HEJMANRQKIFDLI-JLHYYAGUSA-N	358.419	2.314	10	10	FECE	
O=C(NCc1cc(O)ccc1O)C(=O)c1ccc(Br)s1	1471662015	KMOARHVOVNTABO-UHFFFAOYSA-N	356.197	2.421	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CC[C@H]3CCCCN23)N(C)C)cc1	1637004928	WEJPPPPAJGWRTG-AABGKKOBSA-N	358.530	2.488	10	10	FECE	
COc1cccc(CNC(=O)c2coc3c2C(=O)NCC(C)(C)C3)c1O	1595799590	AICNECULJIOGJE-UHFFFAOYSA-N	358.394	2.236	10	10	FECE	
CCOCCN(CC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1687807617	VHTZPNIVWBUKEM-SFHVURJKSA-N	350.507	2.423	10	10	FECE	
O=C(NCc1c(O)cccc1F)N[C@@H]1CS(=O)(=O)Cc2ccccc21	1682929368	FWDATEXQGYKCFM-OAHLLOKOSA-N	364.398	2.000	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCCC[C@@H](CN=[N+]=[N-])C2)C1	2126930304	FMYJBEDCBDSBDE-SUMWQHHRSA-N	367.450	2.297	10	10	FECE	
COc1ccc(N2C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]2C(=O)O)c(N)c1	2132281623	PVTHUOPWCFWBFH-XHDPSFHLSA-N	365.430	2.224	10	10	FECE	
Cc1cccc(CNC(=O)[C@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)c1O	2139757710	LDTGYQJWDBLOKH-GJZGRUSLSA-N	364.442	2.247	10	10	FECE	
CN(C[C@@H](O)COc1ccc(N)cc1)[C@@H]1CCN(Cc2ccccc2)C1	311495406	VOWMAGOOFHJBJG-WOJBJXKFSA-N	355.482	2.215	10	10	FECE	
COc1ccc(N2CCCO[C@H](CNC(=O)OC(C)(C)C)C2)c(N)c1	2044742328	YCTSYAQYEPQEHH-CQSZACIVSA-N	351.447	2.397	10	10	FECE	
CCCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)NCCCN=[N+]=[N-]	2060611825	YXDWOTWBGWFQPE-QWHCGFSZSA-N	355.439	2.465	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1	2106662450	PAQJNGCJIPLKSU-WWGRRREGSA-N	362.474	2.441	10	10	FECE	
COc1ccc(N2CCN(C[C@H](N)COCc3ccccc3)CC2)cc1	2095544071	VESOHJVCVJLRRX-IBGZPJMESA-N	355.482	2.361	10	10	FECE	
COCC[C@H](CNC(=O)CCc1ccc(N)cc1)NC(=O)OC(C)(C)C	2225571845	RFAHHIRYTDKCFQ-MRXNPFEDSA-N	365.474	2.247	10	10	FECE	
Nc1cc(O)ccc1NS(=O)(=O)Cc1ncsc1Br	2226101836	PJHTUIJPULVION-UHFFFAOYSA-N	364.246	2.135	10	10	FECE	
CCOc1ccc(C=C2SC(=S)N([C@@H](C(=O)O)[C@H](C)O)C2=O)cc1	2318683888	KNLLQGNCXQHKRS-TVQRCGJNSA-N	367.448	2.121	10	10	FECE	
CN(C)c1ccc(CN(C)C2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)cc1	2347502603	BAXHGTLCAXEHMM-UHFFFAOYSA-N	363.458	2.259	10	10	FECE	
CN1CCC(CNC(=O)/C=C/c2ccc(O)c(O)c2)(N2CCCCC2)CC1	181130212	QSEQYMRXLQDXNW-SOFGYWHQSA-N	373.497	2.178	10	10	FECE	
COc1cc(Br)cc(CN2CCC[C@H]2C(=O)N(C)C)c1O	122603945	CKRAWBWLWJVWLW-LBPRGKRZSA-N	357.248	2.216	10	10	FECE	
C[C@@H](c1cnn(C)c1)N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1	182712850	XXLFGKFPJANPAC-FSNWXROXSA-N	354.454	2.490	10	10	FECE	
CC[C@@H](N[C@@H](C)C(=O)NCCOC)c1cc(Br)ccc1O	228983456	IEQCZRPYMVXPIJ-GXFFZTMASA-N	359.264	2.347	10	10	FECE	
CCCCN(C)C(=O)[C@H]1C[C@@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1	244277896	WSIIHUIBPBQNQG-OALUTQOASA-N	373.497	2.238	10	10	FECE	
CCCC[C@H](NC(=O)NCC)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	274886751	BZVWEDZPOUGEJS-OCCSQVGLSA-N	351.447	2.023	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1	808507990	NQSDCTCMDZRFGG-VIFPVBQESA-N	358.177	2.048	10	10	FECE	
CCN1CC[C@H](NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1=O	801749598	PBIUYXBDHSVVPI-SFHVURJKSA-N	358.486	2.343	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)C(C)(C)n3cccn3)cc2F)CC1	826719796	VOYVSFMMGNJYJJ-UHFFFAOYSA-N	373.476	2.216	10	10	FECE	
COc1ccc(N2CCCN(C(=O)c3nn4c(c3C)OCCC4)CC2)cc1	822656023	IAZWECVQCRYMNJ-UHFFFAOYSA-N	370.453	2.335	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)NC[C@H]3CC3(C)C)CC2)cc1	732823894	HUKFDTKBVPRIKV-MRXNPFEDSA-N	360.502	2.163	10	10	FECE	
C[C@H](NC(=O)c1cn(C2CCC2)nn1)c1ccc(N2CCOCC2)cc1	843537622	ZVXQXKHEFPNVHV-AWEZNQCLSA-N	355.442	2.331	10	10	FECE	
C[C@@H](NC(=O)c1cccn(CC(=O)OC(C)(C)C)c1=O)c1ccccc1O	913763864	UAUFWHDKBIBMST-CYBMUJFWSA-N	372.421	2.387	10	10	FECE	
CN1CCN(c2ccc(CNCC[C@H](N(C)C)C(F)(F)F)cc2)CC1	922752107	LTJASWQJRLRVLY-KRWDZBQOSA-N	358.452	2.411	10	10	FECE	
CCc1noc([C@@H]2CC[C@H](N3C(=O)CN(Cc4ccccc4O)C3=O)C2)n1	925257808	BQZNTFHJWIONFK-OCCSQVGLSA-N	370.409	2.438	10	10	FECE	
COc1ccc(N2CCN(C(=S)NC[C@@H]3CCCO3)CC2)cc1F	753961528	JLBMIHIKGHIZSP-AWEZNQCLSA-N	353.463	2.010	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](C(=O)O)C3CCC3)C2)cc1	854236937	ZBHPASCCYWRFFK-RHSMWYFYSA-N	361.442	2.074	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)CC[C@H]1F	857338668	CCMGTXNNVAXVCJ-MWLCHTKSSA-N	372.368	2.314	10	10	FECE	
CCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	855231930	YWXPBYGQISQDFJ-QAPCUYQASA-N	359.470	2.181	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](NC(=O)c2ccccn2)C(C)C)c1	761973544	RHKVWTXMGUPZMP-FZKQIMNGSA-N	371.437	2.428	10	10	FECE	
CN(Cc1cnc(N(C)C)nc1)C(=O)NCc1ccc(N2CCCC2)cc1	779982144	XPWKGYAJQIGWAH-UHFFFAOYSA-N	368.485	2.484	10	10	FECE	
C[C@H](NC(=O)C(=O)NCC1CCCCC1)c1ccc(N2CCOCC2)cc1	774496586	GPAHMTBTCNFZMG-INIZCTEOSA-N	373.497	2.397	10	10	FECE	
CN(C)c1ccc(CNC(=O)NC[C@@]2(O)[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)cc1	783656943	PSLDPIGTGNNDSN-PYGSNRKYSA-N	367.493	2.061	10	10	FECE	
COc1cc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)ccc1O	797819976	ZUFAIFGTYWBEEZ-UHFFFAOYSA-N	362.407	2.328	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cnc2cc[nH]c2c1	1162540333	VIVMJHYMNKJOKC-UHFFFAOYSA-N	353.378	2.474	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1ccc(=O)n(Cc2ccccc2)c1	1442064770	OBFXDSSMOCFPFX-UHFFFAOYSA-N	350.374	2.489	10	10	FECE	
COCCOc1ncccc1CNC(=O)c1ccc(N=NC(N)=O)cc1	1442326194	JUMLGSBLFVLUCX-UHFFFAOYSA-N	357.370	2.199	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](C)(NC(=O)Cc2ccc(O)c(O)c2)C1	1470388412	ZIOXEBNBFGELIN-SFHVURJKSA-N	350.415	2.156	10	10	FECE	
Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)N[C@H](C)c1ccccc1O	1471195713	MJMMTYRDQDUWFJ-CYBMUJFWSA-N	368.437	2.394	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CC[C@@H](O)c4ccccc43)nc12	1620666527	VCORQCMTUWNWMA-MRXNPFEDSA-N	368.393	2.055	10	10	FECE	
C[C@@H]1[C@H](C(=O)NCc2cc(O)ccc2O)CCN1C(=O)OC(C)(C)C	1644753854	LHRAGAVPHVKGBP-BXUZGUMPSA-N	350.415	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H](C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)C1	2124511903	ILZRWFQUBFOGJP-KGLIPLIRSA-N	367.450	2.419	10	10	FECE	
CC[C@H]1C[C@@H]1NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136257805	CMOBKLWVBOBNEC-IHRRRGAJSA-N	364.442	2.448	10	10	FECE	
C[C@@H](NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C(F)F	2136246256	XQOGQXFMPYCBKN-KOLCDFICSA-N	374.384	2.303	10	10	FECE	
C[C@@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1c(O)cccc1O	397448903	YZBPIRWZXXOPGP-CHWSQXEVSA-N	352.431	2.384	10	10	FECE	
CNC(=O)[C@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1	398535550	ZEYPOWCXUDEZQI-ZDUSSCGKSA-N	374.485	2.134	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCCc3cccc(O)c32)=C[C@@H]1O	2188053200	LNOHRVZVNAUIAU-ZBFHGGJFSA-N	374.437	2.256	10	10	FECE	
C[C@H](NC(=O)CCOc1ccc(N)cc1)[C@@H](C)NC(=O)OC(C)(C)C	2044202820	SROBDAAOKFEXMH-QWHCGFSZSA-N	351.447	2.456	10	10	FECE	
CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CC[C@@H](N=[N+]=[N-])C1	2060617957	UCEZROQRJXSHGU-JHJVBQTASA-N	353.423	2.170	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN([C@H](CN)c2ccc(N(C)C)cc2)C1	2194911364	XCOUSXBLKSNZIR-IVMMDQJWSA-N	372.435	2.141	10	10	FECE	
C[C@H](NC[C@@H]1CN(C)CCN1C(=O)OC(C)(C)C)c1ccc(O)cc1O	2098262361	DLFTXSDCYHAEEU-UONOGXRCSA-N	365.474	2.300	10	10	FECE	
CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])C1	2218746748	RKDASPJGLZVTKS-CENBSLRLSA-N	353.423	2.406	10	10	FECE	
COc1cccc(N2C(=O)NC(=O)C(=CNc3ccc(F)cc3)C2=O)c1	2297317996	WHSXJMPTDWUZAL-UHFFFAOYSA-N	355.325	2.413	10	10	FECE	
O=C(C=Cc1ccccc1)NC[C@@H](O)c1ccc(N2CCOCC2)cc1	2318431758	ZPPHGRPDHHPIOW-HXUWFJFHSA-N	352.434	2.386	10	10	FECE	
CCC(=O)NCCN1C(=O)C(=Cc2cccc(OC)c2)SC1=S	2320656212	OYMZZSUKEIUBNS-UHFFFAOYSA-N	350.465	2.423	10	10	FECE	
CC1(C)[C@H]2CC[C@@]1(C(=O)N1CCN(c3ccc(F)cc3)CC1)C(=O)C2=O	101172766	NRCIQGSTVCLWEG-YWZLYKJASA-N	358.413	2.049	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H]3CN(C(C)C)C[C@H]3C)CC2)cc1	176850608	ZILZBCOEVUNBSI-APWZRJJASA-N	360.502	2.256	10	10	FECE	
CCc1nsc(N2CCCN(Cc3cc([N+](=O)[O-])ccc3O)CC2)n1	174046743	FXWSKJIDQRWQQE-UHFFFAOYSA-N	363.443	2.427	10	10	FECE	
CO[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	187830369	MDLTZBLQYSYAKY-GOEBONIOSA-N	365.449	2.154	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CC[C@H]4[C@@H](CCCN4C4CC4)C3)cc2N1	301792522	RGSJBMXEOBVJER-WFASDCNBSA-N	372.425	2.379	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC[C@@H](CNC(C)=O)C2)c([N+](=O)[O-])c1	214145912	LSOXEAYILDLBJO-LYASGUKUSA-N	361.398	2.134	10	10	FECE	
COc1ccc(CN2CC[C@@H]2CNC(=O)c2c(F)ccc(O)c2O)cc1	530272829	DOJJIDDQSIEZQH-CYBMUJFWSA-N	360.385	2.250	10	10	FECE	
CC(C)n1ncc2cc(/C=C/C(=O)N3CCCn4nccc43)c(O)nc21	263891676	UTQPOLMJOGVTIB-SNAWJCMRSA-N	352.398	2.364	10	10	FECE	
Nc1nc(NCc2cc(Br)ccc2O)cc(-n2cccn2)n1	804827671	CDENADPKPMFNJW-UHFFFAOYSA-N	361.203	2.325	10	10	FECE	
C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1cc2c(cc1O)OC[C@@H]2O	808236275	BRMZXCYTKXQCIC-PJODQICGSA-N	364.442	2.306	10	10	FECE	
O[C@@H](CNCc1ccc(N2CCOCC2)c(F)c1)Cc1ccc(F)cc1	818967058	RBVFWZBMWFAYSB-GOSISDBHSA-N	362.420	2.495	10	10	FECE	
COC(=O)[C@@H](NCc1cc(OC)c(OC)cc1O)c1cccc(OC)c1	826985080	BDLJTXIVTQBXRP-SFHVURJKSA-N	361.394	2.422	10	10	FECE	
O=C1OCCN1C[C@@H]1CCN(Cc2cc(Br)ccc2O)C1	824451147	JZKWMRRPOFPVCU-LLVKDONJSA-N	355.232	2.429	10	10	FECE	
Cc1cc(CC(=O)N2CCN3C(=O)CC[C@@H]3C2)c(C)n1-c1ccccc1	831503286	DPKCELAICWPRRK-LJQANCHMSA-N	351.450	2.470	10	10	FECE	
O=C(NCCCSc1nccs1)N1CCC(Cn2cnnc2)CC1	845048078	YEGSQWVOTSZGBF-UHFFFAOYSA-N	366.516	2.339	10	10	FECE	
CO[C@@H](COC(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CCCC1	849711813	BQJIDPXFYDCAMZ-HNNXBMFYSA-N	357.428	2.126	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)c1cn(C2CCC2)nn1	843884862	DOUOORBUWJODHF-UHFFFAOYSA-N	351.204	2.401	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2ccc3c(n2)OCCO3)cc1	847106423	QPMMHNCSBVNKCV-UHFFFAOYSA-N	357.410	2.070	10	10	FECE	
OC1CCN(c2ccc(CN[C@H]3CCOC34CCOCC4)cc2F)CC1	924759011	DSMQMUWHDHFRDD-IBGZPJMESA-N	364.461	2.215	10	10	FECE	
Cc1cncn1CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	858626071	NHZCGDBCNZQDAZ-GASCZTMLSA-N	360.433	2.261	10	10	FECE	
COC(=O)[C@@H](CNC(=O)NCc1cccc(OC)c1O)Cc1ccccc1	924949057	JJULICXIVGMOLA-MRXNPFEDSA-N	372.421	2.232	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(C(=O)O)c3)C2)cc1	851651161	HHNGHGVNJVIKES-INIZCTEOSA-N	369.421	2.472	10	10	FECE	
COc1cccc([C@H](C)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1O	866496258	XQNAIHAQLWJWFC-NWANDNLSSA-N	366.458	2.422	10	10	FECE	
COc1cccc(O)c1CNc1cccc(CC(=O)N2CCN(C)CC2)c1	770430976	WVKNIPXVJGGQJY-UHFFFAOYSA-N	369.465	2.329	10	10	FECE	
CC(C)NS(=O)(=O)c1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1	871197471	BAUBLNANGCNVBE-UHFFFAOYSA-N	360.435	2.235	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)C(=O)NCC[C@H]3CCCO3)cc2)CC1	786594719	AHDTXYQRHKABPQ-LJQANCHMSA-N	373.497	2.224	10	10	FECE	
COc1cc(NS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)ccc1O	797819309	FDJRYTWENNJMOB-UHFFFAOYSA-N	372.330	2.258	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)c3c(C)cccc3F)nc12	1319068184	PKLFGZPGZYFPRW-UHFFFAOYSA-N	373.340	2.416	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[C@@H]1C=CS(=O)(=O)C1	1162113819	JXHNJYPMZYGXSO-GJZGRUSLSA-N	350.484	2.057	10	10	FECE	
CN1CCN(c2ccc(CN3CCO[C@@H](C(F)F)CC3)cc2F)CC1	1330083201	VBQKQTBAOOTUEI-QGZVFWFLSA-N	357.420	2.434	10	10	FECE	
C[C@H](NC(=O)C(=O)N1CC[C@]2(C1)CC2(F)F)c1ccc(N(C)C)cc1	1261536997	FEJZSQBLTSYTEF-YVEFUNNKSA-N	351.397	2.188	10	10	FECE	
CCOC(=O)c1cc(C(=O)NCc2cccc(Br)c2O)on1	1448965667	SKABQICQWRLGSV-UHFFFAOYSA-N	369.171	2.249	10	10	FECE	
CC[C@@H](F)C(=O)N[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C	1520976738	CMELOEXBUAVWPF-HONMWMINSA-N	363.393	2.316	10	10	FECE	
Cn1nc(C(F)(F)F)c2cc(C(=O)NCc3ccc(O)cc3O)cnc21	1626849094	JWVZATZTRRCRPZ-UHFFFAOYSA-N	366.299	2.328	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CC[C@H](O)c4ccccc43)nc12	1620666526	VCORQCMTUWNWMA-INIZCTEOSA-N	368.393	2.055	10	10	FECE	
CNC(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	1634434577	DVRZKDVVJHMSKE-DNVCBOLYSA-N	368.481	2.470	10	10	FECE	
NC(=O)c1cc(N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ncn1	1642226508	FJXALXBXKJFESW-CYBMUJFWSA-N	361.833	2.011	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C4)cc2)CC1	1684973117	HCYYJHUGTBJXJX-FHWLQOOXSA-N	354.498	2.450	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)NCCc1ccc(O)c(O)c1)C1(C)CC1	1964864627	UGJPSVQXPVTRCI-HNNXBMFYSA-N	364.442	2.450	10	10	FECE	
C[C@@H](O)c1cccc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n1	1119937712	XRPJERPTIJIIKU-GDBMZVCRSA-N	354.454	2.449	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@]1(C)CNCCc1ccc(O)c(O)c1	2136483064	WLFBHOKKOOQZDQ-LJQANCHMSA-N	366.458	2.256	10	10	FECE	
C[C@@H](O)c1ccc(N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1Br	2145047620	GJQNPQORTDYJFF-ISTVAULSSA-N	360.273	2.126	10	10	FECE	
Cc1cccc(CNC[C@@H](CC2OCCO2)NC(=O)OC(C)(C)C)c1O	1994449393	DZOLQEHNZDRROR-OAHLLOKOSA-N	366.458	2.447	10	10	FECE	
C[C@@H](N)c1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@H]32)cc1Br	2151274470	LLPDLZGQDNLPLH-GPCCPHFNSA-N	359.289	2.092	10	10	FECE	
COc1ccc(O)c([C@H](C)n2ncc(CN)c2I)c1	2070404536	NLLQTIYCCDUCNL-QMMMGPOBSA-N	373.194	2.270	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccc(O)c(O)c1)C(F)(F)F	2054398937	HHUJSXNAOZFYSQ-LLVKDONJSA-N	364.320	2.283	10	10	FECE	
C[C@H](C=CC(=O)NCCc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2060183259	SIKKXRMTFHOOEF-GFCCVEGCSA-N	350.415	2.226	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2060635467	MDUFCXVQJXVSBN-CHWSQXEVSA-N	353.423	2.314	10	10	FECE	
CCCS(=O)(=O)CCN(C)c1ccc(CO)cc1Br	2114069558	HDQXLYJYAXOWSZ-UHFFFAOYSA-N	350.278	2.202	10	10	FECE	
COc1ccc(N2CCC[C@@](O)(CN(C)C(=O)OC(C)(C)C)C2)c(N)c1	2270833678	ZQTJWDXAHCTHKN-LJQANCHMSA-N	365.474	2.476	10	10	FECE	
O=S(=O)(CCCNCc1cccc(Br)c1O)C(F)F	2229332320	GGNMAHWDXVEFJT-UHFFFAOYSA-N	358.204	2.272	10	10	FECE	
CC(C)(C)OC(=O)NC[C@](CF)(NCc1ccc2c(c1)CCO2)C(=O)O	2349079521	FNQVHPVUUDBOAM-SFHVURJKSA-N	368.405	2.029	10	10	FECE	
COc1cc(C(=O)NCCc2cc(O)c(O)cc2C)cc(OC)c1OC	170184488	CCDJWNDVMWTAEM-UHFFFAOYSA-N	361.394	2.405	10	10	FECE	
CN(Cc1cnccn1)C(=O)NCc1ccc(N2CCSCC2)cc1	172275960	CCBCSPLCZAONHF-UHFFFAOYSA-N	357.483	2.371	10	10	FECE	
C[C@]1(c2cccc(CNCc3cc(Cl)ccc3O)c2)NC(=O)NC1=O	171130029	CVXZFNGNAUCOAP-GOSISDBHSA-N	359.813	2.390	10	10	FECE	
C[C@H](NC[C@H](c1cnn(C)c1)N(C)C)c1ccc(N2CCOCC2)cc1	129907041	QIRVFSQELLJRJN-OXJNMPFZSA-N	357.502	2.210	10	10	FECE	
COc1cc(Cl)cc(CN2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1O	184703252	ZAFZWRFUIRQDKK-AWEZNQCLSA-N	374.890	2.054	10	10	FECE	
CCOc1cccc(CNCc2cnc(N3CCOCC3)c(F)c2)c1O	185077655	SLCUSYHDCOEBQO-UHFFFAOYSA-N	361.417	2.451	10	10	FECE	
COCCn1ncc(Br)c1[C@H](N)c1ccc(N(C)C)cc1	97423364	VAPQBJFPDGQEOZ-CQSZACIVSA-N	353.264	2.406	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)NCc2ccc(O)c(O)c2)C1	272265614	CIXUHCHHVJWLOH-GOSISDBHSA-N	350.415	2.361	10	10	FECE	
CN(CCc1ccc(F)cc1)C(=O)C(=O)NCc1ccc(N(C)C)cc1	283682683	ZYPQSXFYZVAQTM-UHFFFAOYSA-N	357.429	2.209	10	10	FECE	
Cc1cc(N2CC[C@@H](NCc3cc(Cl)c(F)cc3O)C2=O)n(C)n1	293733194	WOPIJEXPLJSOCS-CYBMUJFWSA-N	352.797	2.122	10	10	FECE	
CN(C)c1ccnc(NC(=O)NCc2cc(Br)ccc2O)n1	806396195	HQCXKZUJAVTBNI-UHFFFAOYSA-N	366.219	2.332	10	10	FECE	
COCC[C@H](COC)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	812576032	RFWNSEBDCIJDRV-IAGOWNOFSA-N	366.458	2.134	10	10	FECE	
Cc1cc(N2CCN(Cc3cc(Cl)c(C)cc3O)CC2)n2ncnc2n1	824555735	IHEILGRYJKESRT-UHFFFAOYSA-N	372.860	2.422	10	10	FECE	
CN(C)CCC[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CCO1	827857203	YSDPZNJLTCZJJT-SFHVURJKSA-N	365.493	2.205	10	10	FECE	
CCN1CC[C@@H](N(CC)C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1	823518676	AAKVZEJTQHOKJQ-LJQANCHMSA-N	374.529	2.273	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)c1	735858036	GVMLNGRSUBARQD-XGINMYPSSA-N	369.421	2.193	10	10	FECE	
Fc1cc(CNC[C@H]2CCN2C2CCOCC2)ccc1N1CCOCC1	922950505	MGDQPSGOFPJHKG-GOSISDBHSA-N	363.477	2.005	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)C3(N)CC4(CCC4)C3)cc2F)CC1	851627542	YLCBCPOKFVCGDH-UHFFFAOYSA-N	374.504	2.245	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)C2)cc1	855228249	YFWPPQSDNATEIT-HUUCEWRRSA-N	361.486	2.331	10	10	FECE	
O=C(NCCCc1ccccn1)NCc1ccc(N2CCC(O)CC2)cc1	853878987	IKKAPGPBJQUHQG-UHFFFAOYSA-N	368.481	2.475	10	10	FECE	
CCOc1cccc(CNC[C@H]2CN(Cc3ccncc3)CCO2)c1O	858306991	XVBOFKBSWSEPTR-SFHVURJKSA-N	357.454	2.177	10	10	FECE	
CCON(C)C(=O)CNC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1	862132035	WBZJRVSJZZLTAN-UHFFFAOYSA-N	371.437	2.355	10	10	FECE	
Cc1cc(C[C@@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)n[nH]1	761319724	ZGSQQEDVVMKKOL-LLVKDONJSA-N	362.817	2.473	10	10	FECE	
COc1cccc(CNC(=O)c2ccnc(O)c2Br)c1O	772403450	JAZLNTPOKFTMDU-UHFFFAOYSA-N	353.172	2.194	10	10	FECE	
COc1ccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)O)c(C)c1F	776432764	BFXVAPPVDHUWJE-UHFFFAOYSA-N	355.343	2.347	10	10	FECE	
Cc1cc(CCNC(=O)NC[C@@]2(O)CCO[C@H]2C)c(C)n1-c1ccccc1	788850893	CEKWJEXBKOQQPG-UWJYYQICSA-N	371.481	2.476	10	10	FECE	
C/C=C/C[C@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)O	797714854	MFVQEAXEVXDGSO-FHPLJQIUSA-N	361.442	2.303	10	10	FECE	
COC(=O)/C=C\c1ccc(N2C[C@@H](C)[C@H](CC(=O)OC)C2)c([N+](=O)[O-])c1	895619017	DURQFURRERFHBF-OJWNKBRNSA-N	362.382	2.416	10	10	FECE	
OC[C@H]1COCC[C@H]1NCc1cc(Cl)cc(Br)c1O	1878774525	LCCCPIMFFVJIET-JOYOIKCWSA-N	350.640	2.295	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H](CO)Cc1ccc(F)c(F)c1	791495880	VIKUZGNNZOACPN-JHAQOBCDSA-N	363.360	2.357	10	10	FECE	
COc1cnccc1N1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1	793372295	ZZBZJNFFBPXRDE-UHFFFAOYSA-N	374.397	2.035	10	10	FECE	
Cc1cc(C)cc(N2CC[C@@H](C(=O)NCc3cc(O)ccc3O)C2=O)c1	1303223125	BDZNRFREHAYZJY-KRWDZBQOSA-N	354.406	2.384	10	10	FECE	
C[C@H](O)CN(CCN[C@@H](C)c1ccc(O)cc1O)C(=O)OC(C)(C)C	394138302	PSYMALIFDGDDAW-STQMWFEESA-N	354.447	2.366	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCC1CC(OC)C1	1329674553	BZUMCCYIZCVFSK-UHFFFAOYSA-N	362.470	2.452	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H]3[C@H]3CCCOC3)C2)cc1	1346506837	MUHHTOHTTNOYPA-TXPKVOOTSA-N	359.470	2.484	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)N(C)C)cc1	1456938827	ZINXGUHVLDFJSD-KRWDZBQOSA-N	371.441	2.276	10	10	FECE	
Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CCCCCO	1543147053	NUUXXLLMCUMKPQ-UHFFFAOYSA-N	373.501	2.222	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)C(F)(F)C2(O)CCCC2)N(C)C)cc1	1558723207	KHUXARGENLYQDY-INIZCTEOSA-N	369.456	2.412	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCc1ccnc(OCC(F)(F)F)c1	1624676130	ICRJQVHMWSPLOG-UHFFFAOYSA-N	356.300	2.293	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O	1629244970	NWVDUSXVMVUNTO-CQSZACIVSA-N	360.797	2.215	10	10	FECE	
C[C@H]1[C@@H](C)N(C(=O)Cc2ccc(O)c(O)c2)CCN1C(=O)OC(C)(C)C	1624065041	HGYUAXSFLCZRSM-OLZOCXBDSA-N	364.442	2.497	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1	1565595778	ZUJMMPGTBXHEIG-HNNXBMFYSA-N	351.366	2.384	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1sccc1S(=O)(=O)C(F)F	1643104187	PESZFTKKXSYYFN-UHFFFAOYSA-N	363.363	2.086	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2124507051	FAFGOWXJLNPMLR-UONOGXRCSA-N	366.466	2.229	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)NCC3(O)CCCCCC3)cc2)CC1	1684873437	GYFXXYFRJBIIMB-UHFFFAOYSA-N	374.529	2.323	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)NCCN2CCCCC2)N(C)C)cc1	1687807019	MIDPDPMKFSYHKW-LJQANCHMSA-N	361.534	2.140	10	10	FECE	
CCN1CCN(c2nnc(C)n2Cc2ccc(N(C)C)c(F)c2)C[C@H]1C	1695894366	ZCAAZIBLRQJNFK-CQSZACIVSA-N	360.481	2.370	10	10	FECE	
CCOC(=O)N1CCN(/N=N/c2cc(OC)c(OC)c(OC)c2)CC1	1860487711	KQPLSLBMGSZPTA-ISLYRVAYSA-N	352.391	2.485	10	10	FECE	
C[C@H](NCc1c(I)cnn1C)c1cc(O)ccc1O	2133347604	ZVZYBFWRSWFVFA-QMMMGPOBSA-N	373.194	2.287	10	10	FECE	
CN(CCN(C)C(=O)OCc1ccccc1)CC(=O)Nc1ccc(N)cc1	2005043140	LPAVQGFJHRPUJW-UHFFFAOYSA-N	370.453	2.408	10	10	FECE	
C[C@H](N)c1ccc(N(C)C[C@H]2CCS(=O)(=O)C2)cc1Br	2148776037	DYHOKTXZZXTYJF-WDEREUQCSA-N	361.305	2.340	10	10	FECE	
C[C@H]1CN(c2cc(Br)c(CN)cc2F)C[C@@H](C)S1(=O)=O	400852381	DOPREOAGBJJCOM-DTORHVGOSA-N	365.268	2.059	10	10	FECE	
O=C(O)C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2O)C[C@H]1O	2174355763	QAJFMDPAWZVMBX-RDDDGLTNSA-N	364.623	2.076	10	10	FECE	
CN(C)c1ccc([C@H](NN)c2nn(C)c(Cl)c2Br)cc1	2167050697	NJXCPBCIVFODMF-NSHDSACASA-N	358.671	2.455	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]2CN(CC(=O)Nc3ccc(N)cc3)C[C@H]2C1	2168784508	UKTZVHVCZLVARU-GJZGRUSLSA-N	374.485	2.396	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2060632942	HMBJWQCZVUVLLD-NWDGAFQWSA-N	353.423	2.123	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2073249908	GQBJZMXVSXZLFQ-OLZOCXBDSA-N	355.439	2.201	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CCCN2C(=O)COc2ccc(N)cc2)C1	2106701956	XKKHTCYSQNGMSA-UHFFFAOYSA-N	361.442	2.260	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CNC[C@@H]1C[C@@H](O)CCO1	2097944755	GNFFAIONUWHPDE-QWRGUYRKSA-N	350.640	2.438	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])C1	2278989698	SDAHAEBXFKGLQI-LKQDWFRTSA-N	365.434	2.360	10	10	FECE	
COc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1	2297620210	YUMXTNTUNSJUAB-UHFFFAOYSA-N	367.361	2.283	10	10	FECE	
C[C@@H](N[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)c1cc(O)ccc1O	2330889802	BVBVEJAYOHGHIT-BNGXUDDSSA-N	364.442	2.383	10	10	FECE	
C[C@@H](C(=O)OC(C)(C)C)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1	177045422	LLWQDPMQCVIKEG-HNNXBMFYSA-N	363.502	2.373	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCN(C[C@@H]3CCCCN3C)CC2)c1O	79432750	MOUGFOWPLXFLOA-SFHVURJKSA-N	363.477	2.336	10	10	FECE	
CCN[C@@H]1C(=O)Nc2cc(N(C)CC(C)(C)O)c(Br)cc21	92968248	HWZMJYKTQKRIAR-ZDUSSCGKSA-N	356.264	2.259	10	10	FECE	
CN[C@@H]1C(=O)Nc2cc(N3C[C@H](C)O[C@H](C)C3)c(Br)cc21	92774791	DXFYPFOBIZHENA-QIBSRJKCSA-N	354.248	2.275	10	10	FECE	
CC[C@H]1CN(C(=O)NCCCSc2nccs2)CCN1C[C@H](C)O	248489661	MYECQSCHYCFGBV-KBPBESRZSA-N	372.560	2.112	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[C@@H]2[C@@H](CCCN2C)C1	247984845	IRSRQMLIUBLMDV-AZUAARDMSA-N	358.530	2.127	10	10	FECE	
CNS(=O)(=O)c1ccc(N2CC=C(c3ccc(Cl)nc3)CC2)nc1	367358436	KNACRJVQKQFLQW-UHFFFAOYSA-N	364.858	2.332	10	10	FECE	
CC(C)(C)OC(=O)NC1(C2CN(c3cc4c(cc3N)OCC(=O)N4)C2)CC1	2163084278	ABECONJZGNLOSU-UHFFFAOYSA-N	374.441	2.093	10	10	FECE	
CC(=O)C(=O)COC(=O)c1ccccc1Cc1nc(O)c2ccccc2n1	808493751	NSAISPAGCXXGBT-UHFFFAOYSA-N	364.357	2.241	10	10	FECE	
Nc1c(NCc2cc(Br)ccc2O)ncnc1-n1cccn1	804828624	UDZDGQAFYYCPPT-UHFFFAOYSA-N	361.203	2.325	10	10	FECE	
CCNC(=O)[C@@H](NC(=O)NCc1cc(Br)ccc1O)C(C)C	814475573	RRHWJJULIWYJKM-ZDUSSCGKSA-N	372.263	2.115	10	10	FECE	
CCN1C(=O)[C@@H]2CN(Cc3ccc(N4CCCCC4)c(C)c3)CCN2C1=O	828015296	CWIGALKUDLDMKX-IBGZPJMESA-N	370.497	2.454	10	10	FECE	
COC(=O)CC[C@@H]1CC[C@H](C(=O)NCc2ccc3cccnc3c2O)O1	823769337	MZMMKCRDCPVLBT-LSDHHAIUSA-N	358.394	2.057	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCCN(S(=O)(=O)C3CC3)CC2)cc1	835049887	NCTOUHRHNIHFRM-HYXAFXHYSA-N	363.527	2.266	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NCC[C@H]2CC(=O)N(C)C2)cc1F	917616959	LRHQJIMZJWSTNJ-HNNXBMFYSA-N	364.465	2.340	10	10	FECE	
CC(C)(C)OCC(=O)NC(C)(C)C(=O)NCc1cc(Cl)ccc1O	846475223	AGLRCRDHFNJTGR-UHFFFAOYSA-N	356.850	2.372	10	10	FECE	
CCN(CC)C(=O)CN1CCN(Cc2c(O)cc(C)cc2Cl)CC1	840909892	MKVPXGPHEZPTPP-UHFFFAOYSA-N	353.894	2.340	10	10	FECE	
COc1ccc(N(C)[C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)cc1OC	851735280	RGXNGOJOWMULPP-CQSZACIVSA-N	364.442	2.083	10	10	FECE	
CC(C)(C)OC(=O)Cn1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)n1	856438562	SUHXFJYINDVOOO-ALCCZGGFSA-N	359.382	2.288	10	10	FECE	
COc1ccc(CN2C[C@@H](C(=O)NCc3c(O)cccc3F)CC2=O)cc1	928711671	LCGUCHVJGCJNRV-AWEZNQCLSA-N	372.396	2.205	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H]3CO[C@@H](C4CC4)C3)CC2)cc1F	858911803	QQDVXIOJJLGIOV-RDTXWAMCSA-N	363.433	2.233	10	10	FECE	
NC(=O)CSc1ccccc1C(=O)N1CCS[C@@H](C(F)(F)F)C1	928139459	ANPPDFAFVVUDMJ-LLVKDONJSA-N	364.414	2.384	10	10	FECE	
CC(C)(C)N1CC[C@H]1CNC(=O)NCc1ccc(N2CCOCC2)cc1	852005306	RQXCAKWMWVFTGG-SFHVURJKSA-N	360.502	2.195	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCc1nnc2n1CCC2	754924519	GGQVWMWZILAZNN-UHFFFAOYSA-N	370.501	2.453	10	10	FECE	
O=S(=O)(NC1CCCC1)C1CN(Cc2cc(Cl)cc(F)c2O)C1	781920703	KJJBHLCJCRVTTQ-UHFFFAOYSA-N	362.854	2.231	10	10	FECE	
COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)NCc3cccc(Cl)c3O)[C@@H]2C1	897746648	QWGVNFAHQSJQHU-CZXHOFHRSA-N	352.818	2.433	10	10	FECE	
COC(=O)[C@@H]1[C@@H](CN[C@H](C)c2ccc(N3CCOCC3)cc2)C1(F)F	894208798	LNSJKAUMTBNFKD-WQVCFCJDSA-N	354.397	2.228	10	10	FECE	
O=C(O)[C@H]1OCC[C@@H]1CNCc1cc(Cl)cc(Br)c1O	708107215	YUGCPEVNCBFWCI-KRTXAFLBSA-N	364.623	2.387	10	10	FECE	
O=S1(=O)CCC[C@]12CCN(Cc1cccc(Br)c1O)C2	708629868	CLQYXSANNFZKJV-CQSZACIVSA-N	360.273	2.308	10	10	FECE	
O=C1C[C@H](Cc2ccc(NC(=O)N3Cc4cccc(O)c4C3)cc2)C(=O)N1	1333010874	VBXNIWAMDZJTFI-AWEZNQCLSA-N	365.389	2.145	10	10	FECE	
C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO)c1ccc(O)cc1O	2116274680	QJLMIPHWQQUJOV-WOSRLPQWSA-N	366.458	2.366	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)NCCN3CCNC3=S)c2C)cc1	1472465744	OEMMYIJTJCNXKT-UHFFFAOYSA-N	372.494	2.023	10	10	FECE	
Cc1ccc(C(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)c(O)c1O	1632436082	QCXKWSZNHKYJPC-MQMHXKEQSA-N	361.419	2.141	10	10	FECE	
CS(=O)(=O)C1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCC1	1568572466	KIUNEHNDZFLJIV-UHFFFAOYSA-N	355.437	2.010	10	10	FECE	
Oc1cccc2c1[C@H](NCCn1cc(I)cn1)CC2	1964507153	AFSIJGIDLJVBPU-GFCCVEGCSA-N	369.206	2.470	10	10	FECE	
Cc1nccn1C[C@@H]1CCCN1CC(=O)NCc1ccc(N(C)C)cc1	154577263	WYARKDZFHSPEHY-IBGZPJMESA-N	355.486	2.038	10	10	FECE	
CCOC(=O)CCN(C)C(=O)CCNCc1ccc(N(CC)CC)cc1	1857863627	XSBUYVAGXZXJTD-UHFFFAOYSA-N	363.502	2.424	10	10	FECE	
COc1cc(N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)ccc1CO	2139685138	PCCYOLSYDHKBET-PZJWPPBQSA-N	354.450	2.277	10	10	FECE	
CNC(=O)CN(Cc1ccccc1)c1ccc(C=CC(=O)O)cc1[N+](=O)[O-]	2152236244	XCRFNLFILDTIQJ-UHFFFAOYSA-N	369.377	2.445	10	10	FECE	
C[C@H](N[C@@H]1COCC[C@@H]1NC(=O)OC(C)(C)C)c1cc(O)ccc1O	2031531517	CBZINESWEDFOIO-TUKIKUTGSA-N	352.431	2.431	10	10	FECE	
COc1cccc(CNC[C@]2(NC(=O)OC(C)(C)C)CCOC2)c1O	688537215	QINSBCBKIDGJSZ-GOSISDBHSA-N	352.431	2.174	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(CCNCc2cc(F)cc(F)c2O)CC1	708558867	MDHLUSXOEVOIRR-UHFFFAOYSA-N	371.428	2.313	10	10	FECE	
CCN(c1ccc(CNC)c(Br)c1)[C@H]1CCS(=O)(=O)C1	395676447	JTDGGVHCJDYJFX-ZDUSSCGKSA-N	361.305	2.182	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C(CNCc3ccc4c(c3)CCO4)=NO[C@H]2C1	2183633059	PGVFLARVIDZTLD-YJBOKZPZSA-N	373.453	2.333	10	10	FECE	
CCC[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)Cc1ccc(N)cc1	2044248548	ZEIBPRUYEDBMFI-OAHLLOKOSA-N	371.503	2.382	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](NC(=O)Cc1ccc(N)cc1)C(F)(F)F	2044203214	WNYBTVJIGPTRJR-GFCCVEGCSA-N	361.364	2.383	10	10	FECE	
CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2064341145	DLSFSJFEGGORCN-OLZOCXBDSA-N	355.439	2.201	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cc(F)ccc2O)CC1	2070019215	OULOFTKGDPYKNX-UHFFFAOYSA-N	354.422	2.383	10	10	FECE	
C[C@H]1CC[C@H](S(C)(=O)=O)CN1c1ccc(CO)c(Br)c1	2279400820	IBEYIOXMGKKDNX-GWCFXTLKSA-N	362.289	2.343	10	10	FECE	
O=C1NC(=O)N(CCC2=CCCCC2)C(=O)C1=CNNc1ccccc1	2296938557	RFBAOUTWWCCJEL-UHFFFAOYSA-N	354.410	2.456	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1	2308002089	UQRMWUDWPUJVHZ-GDBMZVCRSA-N	356.422	2.113	10	10	FECE	
CCOC(=O)[C@H](C)[C@H](C)NC(=O)C=Cc1ccc(N2CCOCC2)cc1	2308371682	MCIFACQFYQVQDR-CVEARBPZSA-N	360.454	2.240	10	10	FECE	
CCN(CC(=O)O)C1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1	186685072	DOVKLYVWKZWBHG-UHFFFAOYSA-N	352.406	2.105	10	10	FECE	
CN1CCc2cc(CNCCN(C)S(=O)(=O)c3cccs3)ccc21	125694288	OLRIPDZJJPWOSX-UHFFFAOYSA-N	365.524	2.151	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)CNc2ccc(C(N)=O)cc2)cc1	72985192	LWDDBEXDUHUVPV-UHFFFAOYSA-N	354.454	2.360	10	10	FECE	
Cc1cc(C(=O)N2CCN(CCO)[C@@H](C)C2)c(C)n1-c1ccc(F)cc1	188757203	PZEMLXQTVLDEQO-HNNXBMFYSA-N	359.445	2.372	10	10	FECE	
Cc1c([C@H](C)NC(=O)/C=C\c2ccc(N3CCOCC3)cc2)cnn1C	255910089	IYNFRHJPMKSVFG-AJHXJQRKSA-N	354.454	2.456	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CN(C(=O)C(C)(C)C)CCO1	369771096	TXLVHLBPAPPPFU-QGZVFWFLSA-N	362.470	2.404	10	10	FECE	
Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1ccc(N2CCOCC2)cc1	375265132	FNPMPHJGWREGRD-HXUWFJFHSA-N	370.497	2.447	10	10	FECE	
Cc1cc(C(=O)N[C@H]2CCC(=O)NC23CCC3)c(C)n1-c1ccccn1	282685921	AIBRVWCSMIUBRB-INIZCTEOSA-N	352.438	2.420	10	10	FECE	
COc1nnccc1NC(=O)NCc1cc(Br)ccc1O	808903062	UEGAYRZCLYPVKU-UHFFFAOYSA-N	353.176	2.275	10	10	FECE	
CN(C)c1ccc(CN(C(=O)NCCCN2CCCC2=O)C2CC2)cc1	298867015	IMAXBWKUCBPRCM-UHFFFAOYSA-N	358.486	2.439	10	10	FECE	
CN(C(=O)CN1CCC2(C1)CN(C(=O)OC(C)(C)C)C2)c1ccc(N)cc1	2163045823	RUULOGMTGJTGDR-UHFFFAOYSA-N	374.485	2.174	10	10	FECE	
C[C@@H](C[C@@H](C)N)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	831143273	MUACKLZFNQAEJP-SJORKVTESA-N	373.545	2.144	10	10	FECE	
CCn1ccnc1CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	836256100	NLJAZBCIIYKWJI-OAHLLOKOSA-N	357.458	2.300	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(-n2cncn2)cc1	919767035	LKITYHFXBDALMI-UHFFFAOYSA-N	363.421	2.034	10	10	FECE	
O=C(NCc1cncc(O)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	927804001	SXZWFGUGKSSQGB-QGZVFWFLSA-N	357.410	2.384	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)NCCN1C[C@@H]2CCCCN2C1=O	852651977	MQIZKEGGQPMHMU-SFHVURJKSA-N	373.501	2.150	10	10	FECE	
COc1ccc(C(=O)NCCCC(=O)NCc2c(O)cccc2F)cc1	928712267	PVPSTEXITVSBJO-UHFFFAOYSA-N	360.385	2.366	10	10	FECE	
COc1cc(N2CCC(N3CCCOCC3)CC2)c([N+](=O)[O-])cc1OC	853689008	WEHHFEOYJAZQON-UHFFFAOYSA-N	365.430	2.303	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C)C[C@@H]3CCCN(C)C3)C2)cc1	854302223	XXAPEJZVFDFIPR-SJORKVTESA-N	360.502	2.257	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)CC3CS(=O)(=O)C3)c2C)c1	869457502	VIJWAMBVIITBFA-UHFFFAOYSA-N	360.479	2.453	10	10	FECE	
c1cc(N2CCOCC2)ccc1CN[C@@H]1CCCC[C@@H]1N1CCOCC1	763496772	VNGRCPYDUUKOKI-RTWAWAEBSA-N	359.514	2.256	10	10	FECE	
CCN(CC)C(=O)[C@H]1CSCN1C(=O)c1ccc(N=NC(N)=O)cc1	1135843857	DDLAXPOFZFJOTO-CYBMUJFWSA-N	363.443	2.233	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)CN1C[C@H](C(F)F)CC1=O	795399414	CVSHYXJBWCPKOS-OAHLLOKOSA-N	353.413	2.026	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1(C)C	1142722518	FOELRRUEAWBPIV-LSDHHAIUSA-N	364.442	2.448	10	10	FECE	
CCN1C(=O)NC(=O)/C(=C/c2c(OC)ccc3ccc(OC)cc23)C1=O	1083897027	LAPYADDVMALCEP-GDNBJRDFSA-N	354.362	2.339	10	10	FECE	
COc1ccccc1-c1nn(C)cc1C(=O)NCc1ccc(O)cc1O	1162279187	VAFSIIFGSXIBEZ-UHFFFAOYSA-N	353.378	2.437	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)N1CCc2ccc(F)c(F)c2C1	1325079501	JQOBDQFRPOKOQB-UHFFFAOYSA-N	360.360	2.214	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)NCC[C@@H]1CC[C@H]2C[C@@H]12	1351258110	FRINOXGOSFFSLE-AVGNSLFASA-N	353.513	2.294	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N2C[C@@H](CO)OC[C@@H]2C)CCCC1	1446085203	KHQPFOGNSHZNRO-HOCLYGCPSA-N	372.465	2.137	10	10	FECE	
COC(=O)C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(OC)cc1	1441041820	WZCLAQLLYNXWHD-OAHLLOKOSA-N	359.378	2.070	10	10	FECE	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NC(CF)CF)c2[N+](=O)[O-]	1534044905	SWKSLXOABLFLAB-UHFFFAOYSA-N	374.299	2.408	10	10	FECE	
COc1ccccc1C(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1463278813	HBPFPEZVWMBUSA-GOSISDBHSA-N	369.465	2.363	10	10	FECE	
CC[C@@H]1CN([C@H](CC)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CCO1	1624954633	KEZBCCMKZFWPFJ-FVQBIDKESA-N	350.459	2.034	10	10	FECE	
Cc1onc(-c2cccnc2)c1C(=O)N1CCCc2ccc(C(N)=O)nc21	1586811386	GCLPXDGGBQMGGG-UHFFFAOYSA-N	363.377	2.132	10	10	FECE	
CCc1nnc(N(C)CCCC(=O)NC)n1Cc1ccc(N(C)C)cc1C	1764734766	UNTDNWBNXCUNDT-UHFFFAOYSA-N	372.517	2.226	10	10	FECE	
COCCN1CCC[C@@H]1CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	163444158	UCNBUNZJJGMDOY-SJLPKXTDSA-N	365.493	2.424	10	10	FECE	
COc1ccc(N2C[C@@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1	2131050442	VTHZOZYPWWDNSB-NEPJUHHUSA-N	367.402	2.068	10	10	FECE	
CN(CCS(C)(=O)=O)c1ccc(C=CC(=O)O)cc1Br	1911948687	ZTOMQUNZVABBAK-UHFFFAOYSA-N	362.245	2.028	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COCC[C@]1(Sc1nccs1)C(=O)O	1904757830	RZUOMJYSIDKKGZ-LKFCYVNXSA-N	360.457	2.372	10	10	FECE	
N[C@H](c1ccccc1O)[C@H](O)c1ncc(I)s1	1943691220	QKBQHPBPWGTZIH-ZJUUUORDSA-N	362.192	2.187	10	10	FECE	
O=C(N[C@H]1COCC[C@@H]1NCc1ccc(O)cc1O)OCc1ccccc1	1943955351	QKYDCTBJLJWLFB-ROUUACIJSA-N	372.421	2.271	10	10	FECE	
C[C@@H](NCc1c(O)cccc1Br)[C@H]1CCCS(=O)(=O)C1	2146121878	VQTSTQSSHUGDKC-MNOVXSKESA-N	362.289	2.458	10	10	FECE	
CN(CCC(=O)Nc1ccc(N)cc1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21	2163022206	WPQOTTJAYGLULR-VQFNDLOPSA-N	374.485	2.395	10	10	FECE	
CCN(c1ccc([C@@H](C)N)c(Br)c1)[C@@H]1CCS(=O)(=O)C1	387405381	LRVPBLFHOXQAJI-ZYHUDNBSSA-N	361.305	2.482	10	10	FECE	
CCOC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2060634912	FNGFVGWQGCNNPH-OLZOCXBDSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CN(CC(=O)Nc3ccc(N)cc3)C[C@H]2C1	2106759361	GJWARHISTABOPE-KBPBESRZSA-N	360.458	2.006	10	10	FECE	
CCN[C@H](c1ccccc1O)c1c(CNC(=O)OC(C)(C)C)nnn1C	2093696446	STVHXCSHVPSFPC-OAHLLOKOSA-N	361.446	2.244	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2218746224	PQYZCAAHIOQGKY-YVECIDJPSA-N	353.423	2.358	10	10	FECE	
COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)c([N+](=O)[O-])cc1OC	2297320889	XQTRPYPJLZSUBH-UHFFFAOYSA-N	369.333	2.073	10	10	FECE	
CC(C)(C)OC(=O)N(CCCO)CCC(=O)NCC1(CN=[N+]=[N-])CC1	2319824245	IUDDKVBYFJNTGA-UHFFFAOYSA-N	355.439	2.203	10	10	FECE	
Cc1ccc(CN[C@H](C)[C@@H](C)S(C)(=O)=O)c(O)c1Br	2352940867	JHIQOTHLVPBJSC-NXEZZACHSA-N	350.278	2.374	10	10	FECE	
COCCn1nnnc1[C@H](c1ccc(N(C)C)cc1)N1CCC(C)CC1	4847691	XADKMNVTNZMLCX-SFHVURJKSA-N	358.490	2.207	10	10	FECE	
CC(=O)Oc1ccc(N2C(=O)C/C(=C/c3ccc(O)c(O)c3)C2=O)cc1	102737676	CJZUZQMKUWLWCR-JYRVWZFOSA-N	353.330	2.370	10	10	FECE	
CN(C)c1ccc(/C=C2/N=C(c3ccccc3)N(NC(N)=S)C2=O)cc1	106109404	FVEKIOHWKFOALO-FOWTUZBSSA-N	365.462	2.131	10	10	FECE	
Cc1cc(O)c(O)cc1CCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1	170196730	SXSPWIXFIYNVRG-QGZVFWFLSA-N	368.433	2.114	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccnc(N2CCN(C)CC2)c1	115489692	CQYNXLXZHDVZRG-UHFFFAOYSA-N	367.497	2.138	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)Nc3ccncc3)cc2)CC1	188168446	GZKSXGQIPYXWAN-UHFFFAOYSA-N	353.426	2.072	10	10	FECE	
CCCNC(=O)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(C)n1	243091714	IWUVBIDLRNQZTI-UHFFFAOYSA-N	369.469	2.260	10	10	FECE	
Cc1c(CCC(=O)NCc2cc(Br)ccc2O)cnn1C	804737675	VTYYFJQOONRMLF-UHFFFAOYSA-N	352.232	2.446	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3CCn4ccnc43)C2)cc1	823655612	PRBJNLQWSIASJY-PBHICJAKSA-N	355.442	2.162	10	10	FECE	
COCCN1CCC[C@H]1CNC(=O)c1csc(Cc2ccc(N)cc2)n1	828507083	JZYVIEDUXYESMX-INIZCTEOSA-N	374.510	2.157	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CC[C@H]4C[C@H]4C3)cc2)C1	825859921	XDEKFXNRWOEBOF-XWTMOSNGSA-N	370.497	2.376	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H](Nc2ncccn2)C1	825720829	GCILMIKQOUFELW-KRWDZBQOSA-N	366.469	2.473	10	10	FECE	
C[C@H](CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)n1cccc1	729525202	GUAMYHFSPBJMKY-AEFFLSMTSA-N	368.481	2.457	10	10	FECE	
CCS(=O)(=O)c1ccccc1CC(=O)NCc1ccc(OC)cc1O	907925888	KKCOVIRMOCGDIK-UHFFFAOYSA-N	363.435	2.053	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3noc(C4CC4)n3)C2)cc1	852231322	DKNDOADNBPYXMF-ZDUSSCGKSA-N	357.414	2.034	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CSc3nncs3)C2)cc1	855228523	BNFRYRXPULXCAW-LLVKDONJSA-N	350.469	2.034	10	10	FECE	
COCC1(C2CCC2)CN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1	853474110	GZJNTQJIRQCNTP-UHFFFAOYSA-N	373.497	2.481	10	10	FECE	
O=C(Nc1ccc(S(=O)(=O)NCc2ccccc2O)cc1)C(F)(F)F	751149349	SJCZOHPGLONRGN-UHFFFAOYSA-N	374.340	2.372	10	10	FECE	
C[C@@H](N[C@H](CO)c1ccnn1C)c1cc(Br)c(F)cc1O	858434804	PZVDPIIYRDDCCR-PRHODGIISA-N	358.211	2.412	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cncc3c2CCCC3)c1	850366111	CIJWCZPGEZGGLW-LBPRGKRZSA-N	369.421	2.491	10	10	FECE	
C[C@H](NC[C@H](O)c1ccnn1C)c1cc(Br)c(F)cc1O	927137968	YQIJMAIBBNTRIM-RTHLEPHNSA-N	358.211	2.412	10	10	FECE	
CC[C@H](C)N1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	854296108	BSLHGYINFVZCCK-IRXDYDNUSA-N	360.502	2.400	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCc4cnc(C)n4C3)C2)cc1	855227441	YXMQERHEHRWPTG-CVEARBPZSA-N	354.454	2.158	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@H](CCO)c3ccco3)C2)cc1	854298378	BVLJUQNPZTUIBL-RHSMWYFYSA-N	359.426	2.290	10	10	FECE	
COc1ccc(N2CC[C@@H](Nc3cc(C)ccc3S(N)(=O)=O)C2)cc1	865932724	YUVSVNIBPKOPGQ-CQSZACIVSA-N	361.467	2.342	10	10	FECE	
CNS(=O)(=O)C[C@H]1CCCN(C/C=C\c2ccc(N(C)C)cc2)C1	862552307	VVBALRLWGUWDRP-AATOQMJSSA-N	351.516	2.027	10	10	FECE	
CC(C)Cc1ccccc1CNC(=O)C(=O)NCCc1ccc(N)cc1	861776257	ITWKGBLSUCOZDN-UHFFFAOYSA-N	353.466	2.442	10	10	FECE	
CN1CCN(c2ccc(CNC[C@@H]3CC4(CCOCC4)CO3)cc2)CC1	865779721	LYUVZWZCJKPODQ-FQEVSTJZSA-N	359.514	2.114	10	10	FECE	
O=C([C@H]1CCCN1C(=O)Cc1ccccc1)N1Cc2cccc(O)c2C1	871200388	BNBSEQROWFWLNR-GOSISDBHSA-N	350.418	2.468	10	10	FECE	
O=C(NCC1COC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	1118811801	KFVOZSZMDJOEQX-UHFFFAOYSA-N	355.385	2.202	10	10	FECE	
Cc1cc(C(=O)NC[C@H](C)S(N)(=O)=O)c(C)n1-c1cccc(Cl)c1	770453070	VDDXYLOKXFSGLL-NSHDSACASA-N	369.874	2.154	10	10	FECE	
COc1c(C)cnc(Cn2cnc(NC(=O)c3cc(O)cs3)n2)c1C	791028493	MMBGZQKTKIUMRO-UHFFFAOYSA-N	359.411	2.366	10	10	FECE	
COC(=O)[C@H](CC1CCOCC1)NCc1cc(F)c(N(C)C)cc1F	895592820	OEZNAECUTMLFBD-INIZCTEOSA-N	356.413	2.479	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O	1153885874	QOUGYCCBUCPRNY-HNNXBMFYSA-N	360.797	2.421	10	10	FECE	
Cc1cc(C)c(O)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1	1151017862	GYJQJQMQOIEDDF-UHFFFAOYSA-N	350.396	2.338	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2c(=O)[nH]c(C)cn2n1	1346249351	DCNKGQHJCNXSPD-UHFFFAOYSA-N	353.426	2.059	10	10	FECE	
CCOc1cccc(CCNC(=O)C(=O)N(C)Cc2ccccc2O)c1	1346229134	KPUVMGJWKNVSQN-UHFFFAOYSA-N	356.422	2.108	10	10	FECE	
CCc1nnc(N2CC[C@H](C(=O)OC)C2)n1Cc1ccc(N(C)C)cc1C	1292925361	VLQGBWGBAJOVOY-INIZCTEOSA-N	371.485	2.263	10	10	FECE	
O=C(Nc1ccc(NC(=O)c2ccn3nccc3n2)cc1)C1=S=CC=C1	1292635900	NVUJTIATQRKVEH-UHFFFAOYSA-N	363.402	2.198	10	10	FECE	
C[C@H]1[C@@H](C(=O)NCc2cccc(O)c2O)CCN1C(=O)OC(C)(C)C	1520509786	WCDNWUPDARKJDS-AAEUAGOBSA-N	350.415	2.360	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)[C@H]2COCCN2CC(F)(F)F)cc1	1626085415	JLDZPZCCATTWBO-MRXNPFEDSA-N	373.419	2.412	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCOC[C@H]1C[C@@H](O)c1cccs1	1631589640	NSAGRDAVULSKOM-CZUORRHYSA-N	363.435	2.053	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1	2124169689	RTIBJOVWSJDNSL-OKILXGFUSA-N	364.442	2.402	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C1	2124537466	YMTBJJXFSTWXJC-DCGLDWPTSA-N	367.450	2.344	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(O)cc3F)cc2)C1	1597002788	JRQKKFVXBAPXFZ-CQSZACIVSA-N	371.412	2.163	10	10	FECE	
CCN(CCNC(=O)[C@@H]1C[C@H]1C1CC1)C(=O)c1ccc(N=NC(N)=O)cc1	1688401226	CHADIOFHRHWSDB-JKSUJKDBSA-N	371.441	2.473	10	10	FECE	
C[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccc(S(C)(=O)=O)c(F)c1	160754397	IEZAYSTXLFLFQD-LLVKDONJSA-N	350.415	2.231	10	10	FECE	
Cc1cc(C[C@H](C)NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)n[nH]1	155807159	CVNNXWGNPZKHNP-PXTSUWAFSA-N	354.454	2.315	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1	2132402778	FGQKQELHRMIERS-QWRGUYRKSA-N	366.414	2.179	10	10	FECE	
CCc1cccc(CN=c2[nH]nc(CCNC(=O)OC(C)(C)C)o2)c1O	2138788108	XYBKPFGSBRIEHT-UHFFFAOYSA-N	362.430	2.439	10	10	FECE	
C[C@H](NCc1c(O)cccc1Br)[C@@H]1CCCS(=O)(=O)C1	2146121881	VQTSTQSSHUGDKC-WDEREUQCSA-N	362.289	2.458	10	10	FECE	
C[C@](CC(=O)O)(NC(=O)OCc1ccccc1)c1ccc(O)c(O)c1O	1951964682	VIOUDJKXSJNLIX-GOSISDBHSA-N	361.350	2.420	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CC(C)(C)c1cc(O)c(O)c(O)c1)C(=O)O	1951965690	JOCWCAXEFPINQB-JTQLQIEISA-N	355.387	2.449	10	10	FECE	
CN(CCn1cncn1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2	2170115496	AYEMJEQAISYYPC-UHFFFAOYSA-N	372.473	2.290	10	10	FECE	
COc1ccc(O)c(CNC[C@]2(NC(=O)OC(C)(C)C)CCOC2)c1	711192277	RHMCMIOJFKXHNR-GOSISDBHSA-N	352.431	2.174	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NCc1cc(F)cc(F)c1O	1621084162	YNPJRASZXOTLRJ-ZIAGYGMSSA-N	358.385	2.394	10	10	FECE	
COC1(CNC(=O)Nc2ccc(N)cc2)CN(C(=O)OC(C)(C)C)C1	2044251028	WFDIDOYEABJTTF-UHFFFAOYSA-N	350.419	2.026	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@]2(C(=O)C(=O)C[C@H]3C[C@H](N)C3)CCC[C@H]12	2049786426	MCHOPFMANBVLMX-VODUFIJXSA-N	350.459	2.432	10	10	FECE	
CCCN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)N1CC(N=[N+]=[N-])C1	2060611404	SVSCWNYXKBCQRT-STQMWFEESA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1	2060640705	XVQZNHWOMUOREE-STQMWFEESA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)NCCc1n[nH]c(=NCc2ccc(F)cc2O)o1	2084178596	DKBIOFJNFYMAHG-UHFFFAOYSA-N	352.366	2.016	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1CC(C)(CNC(=O)OC(C)(C)C)C1	2106766396	PNGGUMFCSDENPJ-CYBMUJFWSA-N	362.474	2.442	10	10	FECE	
C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1c1cc2c(cc1N)OCCO2	2106847714	YUVCFTZPGMTECU-ONGXEEELSA-N	359.348	2.076	10	10	FECE	
CON(C1CN(C(=O)OC(C)(C)C)C1)[C@H](C)C(=O)Nc1ccc(N)cc1	2112951623	CLWNJIMAIIXHJZ-GFCCVEGCSA-N	364.446	2.079	10	10	FECE	
COc1ccc(N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)c(F)c1F	2219772153	XYVGAOWZTCGUOU-GHMZBOCLSA-N	358.385	2.438	10	10	FECE	
[N-]=[N+]=NC1CN(C(=O)c2ccc(I)c([N+](=O)[O-])c2)C1	2278625424	YBKHXTFZTUWAIW-UHFFFAOYSA-N	373.110	2.334	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]12C[C@H]1CN(CCC(=O)Nc1ccc(N)cc1)C2	2288266285	BGCRIKBBUHQWCS-VBKZILBWSA-N	374.485	2.444	10	10	FECE	
CCC(=O)Oc1ccc(C=C2C(=O)NN(c3ccccc3)C2=O)cc1OC	2297326481	ONWOTPSZWGMRPP-UHFFFAOYSA-N	366.373	2.472	10	10	FECE	
CN(C)c1ccc(CN[C@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1	2330887085	COJNAAGTXCSQSU-FGTMMUONSA-N	361.486	2.477	10	10	FECE	
CCN(CC)CCC[C@H](C)N/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O	100191000	CAPPNECGWSHKOZ-JEFCNZTNSA-N	372.469	2.253	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCS(=O)(=O)[C@H](C)C2)cc1F	126206749	HXFJQUDYAVMWIM-CYBMUJFWSA-N	371.478	2.000	10	10	FECE	
CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(N(C)C)cc2)n2nnnc2N1	35147990	ANFITFHFEOESAC-OAHLLOKOSA-N	356.430	2.370	10	10	FECE	
NS(=O)(=O)c1ccc(NCc2ccc(O)c(O)c2)c(Br)c1	37137944	SKWLRMJGBXMPEH-UHFFFAOYSA-N	373.228	2.120	10	10	FECE	
Cc1n[nH]c([C@H]2CN(Cc3cc(Br)ccc3O)CCO2)n1	180104031	ZBVLDVKGTSTHFF-CYBMUJFWSA-N	353.220	2.155	10	10	FECE	
COc1ccc(N2CCN(C(=O)Nc3ccc(CC(N)=O)cc3)CC2)cc1	45728937	GORFAWDYPRRURZ-UHFFFAOYSA-N	368.437	2.077	10	10	FECE	
C[C@H](NC[C@@]1(CO)COCC2(CCC2)N1C)c1ccc(Cl)cc1O	527946472	DSSZUXGZICWNCF-SCLBCKFNSA-N	354.878	2.312	10	10	FECE	
C[C@H](NC(=O)C(=O)N1CCC[C@@H](OC(F)F)C1)c1ccc(N(C)C)cc1	807674210	IFVHKMCFEWOEIA-SWLSCSKDSA-N	369.412	2.160	10	10	FECE	
CN(C(=O)CN1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)c1ccc(N)cc1	2163041365	GKEWIQVPMRCUBX-GASCZTMLSA-N	374.485	2.030	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](C)C(=O)N(C)C)CCCC1	651332590	AWPYLTYJWFRGML-ZDUSSCGKSA-N	357.454	2.122	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)[C@@H](C)Cc3ccco3)CC2)cc1	824280492	NTNYNHZFDPEEPS-KRWDZBQOSA-N	371.481	2.405	10	10	FECE	
CCc1ccc(S(=O)(=O)NC[C@H](N)c2ccc(N(C)C)cc2)s1	842783826	DCSWEMNRCTXFRF-HNNXBMFYSA-N	353.513	2.355	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc(C(=O)O)oc3C)CC2)cc1F	911582461	RMXAUNLUNJZDGP-UHFFFAOYSA-N	362.357	2.396	10	10	FECE	
Cn1nccc1[C@H]1COCCN1Cc1cc(Br)ccc1O	846115273	JQPOPGMYRIKUCK-CQSZACIVSA-N	352.232	2.462	10	10	FECE	
C[C@@H]1CN(C(=N)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCO1	849095510	ASOGTXLROQFQDT-RBSFLKMASA-N	364.465	2.184	10	10	FECE	
O=C(N[C@H]1CNCCC1(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1	842001572	GQQVMEBHCKLNLU-HOCLYGCPSA-N	369.412	2.080	10	10	FECE	
C[C@H](NC(=O)C(=O)N1CCC12CCCC2)c1ccc(N2CCOCC2)cc1	846727500	VMGHKGGSTZUAFS-INIZCTEOSA-N	371.481	2.246	10	10	FECE	
O=C(NCc1cc(NC(=O)[C@@H]2CCSC2)ccc1O)[C@@H]1CCSC1	923120131	QOWDQFHEQMGJSU-VXGBXAGGSA-N	366.508	2.453	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@@H](O)C(F)(F)C1	854177010	QREKPPBNLOEMSD-XJKSGUPXSA-N	355.429	2.404	10	10	FECE	
NCC12CC(CN1C(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)C2	852915878	PIYQXWAJEFDRBD-UHFFFAOYSA-N	371.481	2.003	10	10	FECE	
CN(C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc2c(c1)OCO2	851869121	YMJBZEXPSGZMKD-CQSZACIVSA-N	350.415	2.487	10	10	FECE	
COCCCOC1CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1	754492023	FYHZXTJQLGBXQM-FNORWQNLSA-N	350.371	2.023	10	10	FECE	
C[C@@H](NCC1(N)CCOCC1)c1ccc(N2CCOCC2)cc1Cl	863540817	HZRDFYMQXLGRGG-CQSZACIVSA-N	353.894	2.335	10	10	FECE	
COC(=O)c1ccccc1NC(=O)C(=O)N[C@H](C)c1cc(OC)ccc1O	775525878	DJRWFRKHLNOAPE-LLVKDONJSA-N	372.377	2.003	10	10	FECE	
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1cc2cc(O)c(O)cc2s1	896341716	HVLMAGLAIVTCLF-IUCAKERBSA-N	357.453	2.206	10	10	FECE	
Cc1c(NC(=O)Cc2ccc(O)c(O)c2)cccc1N1C(=O)N[C@H](C)C1=O	1141704993	GNMPOOJYDRIXQB-LLVKDONJSA-N	369.377	2.032	10	10	FECE	
Cc1cc(C(=O)N2CCN(C)C[C@H]2CO)c(C)n1-c1ccc(Cl)cc1	1301605534	PXIMJVVSGLEULP-KRWDZBQOSA-N	361.873	2.496	10	10	FECE	
Cc1cc(CC(=O)N2CC(N3CCN(C)CC3)C2)c(C)n1-c1ccccc1	1332081709	FYOGFZBBMCRWCL-UHFFFAOYSA-N	366.509	2.095	10	10	FECE	
Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NCc1cccc(O)c1O	1352657261	BJSLCLLSNZWYTP-UHFFFAOYSA-N	357.332	2.332	10	10	FECE	
O=C(CCN1C(=O)COc2ccccc21)NCc1cccc(Cl)c1O	1457036561	IOROUPOPGSJBLH-UHFFFAOYSA-N	360.797	2.478	10	10	FECE	
COc1ccc(CNC(=O)[C@@H]2CSC(c3ccccc3O)=N2)c(O)c1	1467472090	XSZGHJNHRSJUDU-AWEZNQCLSA-N	358.419	2.285	10	10	FECE	
COc1ccc(N2C[C@H](NC(=O)N3Cc4cccc(O)c4C3)CC2=O)cc1	1478949320	RYNOQCHDJSPCKR-CQSZACIVSA-N	367.405	2.232	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1	1645363522	YRGLFDVRWYFEQW-OAHLLOKOSA-N	370.405	2.373	10	10	FECE	
CCN(CC)c1ccc(Cn2c(C)nnc2N2CC[C@@](C)(C(N)=O)C2)cc1	1746085276	AWMJFSXGYWMZFM-HXUWFJFHSA-N	370.501	2.183	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cn2)cc1	1654470340	CFPYYIPBFLAEKM-UHFFFAOYSA-N	368.397	2.329	10	10	FECE	
COc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)o3)C(=O)NC2=S)cc1	12470923	JICNAPHRJVTDHO-GXDHUFHOSA-N	371.418	2.186	10	10	FECE	
CN1CCCc2cc(CN[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)ccc21	2126240470	PZOLPTFATRNNHB-WMZOPIPTSA-N	361.486	2.139	10	10	FECE	
Cc1nc(N)sc1/N=N/c1ccc(S(=O)(=O)N2CCOCC2)cc1	17243996	WOTMKWKFNAVNCH-ISLYRVAYSA-N	367.456	2.470	10	10	FECE	
CCOc1ccnc(N2CCN(Cc3cc(OC)c(C)cc3O)CC2)n1	160258799	CVNLXOJJSVPTLP-UHFFFAOYSA-N	358.442	2.220	10	10	FECE	
Nc1ccc(NC(=O)/C=C/c2ccc(S(=O)(=O)NC3CC3)cc2)cc1	160366411	OZRFOLGJWLJDKZ-KGVSQERTSA-N	357.435	2.361	10	10	FECE	
CN1CCc2cc(CN[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)ccc21	2126908369	VDOJIFIEUZQOAK-FUHWJXTLSA-N	361.486	2.139	10	10	FECE	
C[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC(=O)N1C	1925956916	RLNPOKORNHPWHD-CYBMUJFWSA-N	374.485	2.229	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(CNC(=O)c2cccc(O)c2O)C1	2136066499	PXWXBQNNJHAFKK-BUXKBTBVSA-N	362.426	2.475	10	10	FECE	
C[C@@H](N)c1ccc(N2CCC[C@H]2CS(C)(=O)=O)cc1Br	2151278904	FYXYFMACXKFYQR-PWSUYJOCSA-N	361.305	2.482	10	10	FECE	
C[C@@H](N)c1ccc(N2CC[C@H]3CS(=O)(=O)C[C@@H]32)cc1Br	2151274468	LLPDLZGQDNLPLH-BFVZDQMLSA-N	359.289	2.092	10	10	FECE	
COc1ccc(O)c(CN[C@H]2COC[C@@H]2CNC(=O)OC(C)(C)C)c1	2036600002	RKYWQNPEBQCOGC-ZFWWWQNUSA-N	352.431	2.030	10	10	FECE	
CN1C(=O)[C@@H](N)c2ccc(N3C[C@H]4C[C@H]3CN(Cc3ccccc3)C4)cc21	2160683613	NIDVRNOAJXXRFY-MDKPJZGXSA-N	362.477	2.374	10	10	FECE	
CN(Cc1ccc(N)cc1)C(=O)[C@@H]1CC[C@@H](C(=O)O)N1Cc1ccccc1	2162607816	SLWAZCGIKXIFHJ-OALUTQOASA-N	367.449	2.345	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)NCc3ccccc3O)c2C1	783676500	KSQQCDAQJMWCEP-UHFFFAOYSA-N	372.425	2.339	10	10	FECE	
CCOc1cccc(CN2CCc3nnc([C@H]4CCCO4)n3CC2)c1O	19744047	RHMAMWQTYBWLEW-MRXNPFEDSA-N	358.442	2.292	10	10	FECE	
CN(C)c1ccc([C@H](O)[C@]2(C(=O)O)CCN(C(=O)OC(C)(C)C)C2)cc1	2108577396	AVYNMNJXBLHHAW-KXBFYZLASA-N	364.442	2.498	10	10	FECE	
C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)c1ccc2c(c1)COCC2	2257595333	RACFMOIEGVQWDJ-CQSZACIVSA-N	350.459	2.471	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CN(C(=O)Nc3ccc(N)cc3)CCO2)C1	2272921764	LEGVOARPMZSSRN-UHFFFAOYSA-N	362.430	2.122	10	10	FECE	
CSc1ncc(CNS(=O)(=O)c2cccc(C3OCCO3)c2)s1	2284668398	WTSWFEIGAASWHH-UHFFFAOYSA-N	372.493	2.389	10	10	FECE	
CN(C)CCN1C(=O)C(=Cc2ccc3c(c2)OCCO3)SC1=S	2323839286	AHJIJQMTTKEDKJ-UHFFFAOYSA-N	350.465	2.221	10	10	FECE	
Oc1cc2c(cc1O)CN(c1ncncc1I)CC2	2341196725	HXFCMNSRQQGJFF-UHFFFAOYSA-N	369.162	2.055	10	10	FECE	
CCS(=O)(=O)CCN(C)Cc1ccc(C)c(Br)c1O	2352628555	ARUNWRLZTDQOJD-UHFFFAOYSA-N	350.278	2.330	10	10	FECE	
CCc1nccn1[C@@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1	106215733	BOUVBOQBZKOAAH-LJQANCHMSA-N	369.513	2.465	10	10	FECE	
COc1cccc(CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)n1	186972881	ATXQYERCYWUGHJ-UHFFFAOYSA-N	373.428	2.049	10	10	FECE	
CC(C)(C)OC(=O)N[C@]12C[C@](C(=O)N3CCc4cc(O)c(O)cc4C3)(C1)C2	2370215296	MLMDWJUASCJNMF-BGYRXZFFSA-N	374.437	2.430	10	10	FECE	
CCN1CC[C@@H](NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O	802363816	OWJXVEJQDZLEQN-GOSISDBHSA-N	355.438	2.453	10	10	FECE	
C[C@H](Cn1cccn1)NC(=O)NCc1cc(Br)ccc1O	804951761	YFZSEFIMAYVUHC-SNVBAGLBSA-N	353.220	2.239	10	10	FECE	
Cc1csc([C@H](C)NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)n1	803687288	AWMPCJHCTGGXGK-ZDUSSCGKSA-N	372.494	2.328	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CNCCCC(C)(F)F)CC2)cc1	819336341	GNSFZCSRDSICGS-KRWDZBQOSA-N	371.472	2.203	10	10	FECE	
COC[C@H](CCCN)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	817888860	QGGVFFIVHRWKFP-ZOBUZTSGSA-N	353.482	2.283	10	10	FECE	
COc1ccc(O)c(CNC(=O)Nc2cccc3c2CCN(C)C3=O)c1	825320577	MFLSLVXBXWAILF-UHFFFAOYSA-N	355.394	2.351	10	10	FECE	
C[C@H](C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@H]1CCCO1	909856560	OBIOQKRKHPQZHD-BLLLJJGKSA-N	354.397	2.233	10	10	FECE	
CN(C)[C@H]1C[C@@H](CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1	846786101	OAYJIVATMRAPEF-VDISTLRHSA-N	351.834	2.150	10	10	FECE	
C[C@@H]1CCn2ncc(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)c2C1	856209577	SPXJSIHNBWCJFB-OAHLLOKOSA-N	368.481	2.357	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)CC1(n2cnnn2)CCOCC1	854373695	KBNDQDRHLDMTRO-UHFFFAOYSA-N	373.457	2.103	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CC[C@H](CN)CC3)C2)cc1	851665343	ALPSJVSMLHZBCF-ULQDDVLXSA-N	360.502	2.338	10	10	FECE	
NC(=O)c1cncc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1	750027184	NSCZKXXFUQJKHB-UHFFFAOYSA-N	363.368	2.258	10	10	FECE	
COC(=O)C12CCC(C(=O)N3CCN(c4ccc(OC)cc4)CC3)(CC1)C2	757791239	BNXNJJSHGOZHRH-UHFFFAOYSA-N	372.465	2.467	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)c1cccc(NC(=O)[C@H]2CCCO2)c1	768900698	NAOGFRFQYPFMGL-GOSISDBHSA-N	370.405	2.188	10	10	FECE	
C[C@@H]1C[C@H](c2cccnc2)N(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1	1118941365	BGGYGSMVHOVUFH-CXAGYDPISA-N	351.406	2.239	10	10	FECE	
CCc1cnccc1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	776229696	ACJZLCUBQUCTMZ-KRWDZBQOSA-N	366.465	2.276	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)[C@@]34C[C@@H](N)C[C@@H]3C4)cc2F)C[C@@H](C)O1	870869525	XJRTYMZVTRIYNB-YSEGUGTJSA-N	361.461	2.183	10	10	FECE	
CC[C@@]1(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CCNC1=O	1125089633	GJXVDAOLLAWWHC-OAQYLSRUSA-N	362.385	2.317	10	10	FECE	
COc1ccc(N2CCN(C(=O)CNc3cnn(C)c3C3CC3)CC2)cc1	789669009	HXDHCLXYIHVMEE-UHFFFAOYSA-N	369.469	2.067	10	10	FECE	
CN(C)CCC[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCO1	898991261	UJBGVYWGMSEJCS-ZDUSSCGKSA-N	364.467	2.495	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H](O)c1ccc(F)cn1	799307822	PQHMAPMFOUGJNF-MRXNPFEDSA-N	368.792	2.288	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(F)(F)C1CCOCC1	790368086	QRNBYAFPVUYHKF-UHFFFAOYSA-N	372.387	2.340	10	10	FECE	
O=C(C(=O)N1[C@H]2CC[C@H]1CC1(C2)CC1(F)F)N1Cc2cccc(O)c2C1	1335636327	JIYHCOUAALEMQX-STQMWFEESA-N	362.376	2.413	10	10	FECE	
CN(C)c1ccc(CNC(=O)[C@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1F	1356251246	QVBGRAUYEMEIAN-GXTWGEPZSA-N	351.422	2.421	10	10	FECE	
CCn1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c(C(N)=O)n1	1472460295	BZSYCHOWLVSHSF-UHFFFAOYSA-N	352.398	2.057	10	10	FECE	
CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N(C)C)c(F)c1	1547329580	OYBZXNGZRHYMBA-UHFFFAOYSA-N	357.437	2.388	10	10	FECE	
O=C(CNC(=O)c1c(F)ccc(O)c1O)OCc1ccccc1Cl	1472508219	WYBFOWCVFKTNPY-UHFFFAOYSA-N	353.733	2.364	10	10	FECE	
CON(C)c1nnc(C2CCC2)n1Cc1ccc(N2CCOCC2)cc1	1555765779	MDGBGGDSPWGJBA-UHFFFAOYSA-N	357.458	2.428	10	10	FECE	
NS(=O)(=O)c1ccc(C2CCN(C(=O)c3cc(O)cs3)CC2)cc1	1636264270	PZTIYCGOKUBPBC-UHFFFAOYSA-N	366.464	2.121	10	10	FECE	
CN(C(=O)[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1)c1ccccc1	1634312121	PCOJFDJPJGXQDU-HNNXBMFYSA-N	354.406	2.152	10	10	FECE	
CC(C)N1CCC[C@@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	1630549948	DWEQJYOVGXMXMM-QGZVFWFLSA-N	363.477	2.399	10	10	FECE	
CCCCN1C(=O)c2ccc(C(=O)NCc3c(O)cccc3O)cc2C1=O	1645360801	JQLYNYUGNLELSN-UHFFFAOYSA-N	368.389	2.424	10	10	FECE	
COc1cc2c(cc1OC)CN(CC(=O)N(C)Cc1ccccc1O)CC2	1588156093	LGSKSRNJLIOFAF-UHFFFAOYSA-N	370.449	2.426	10	10	FECE	
COC1(CNC(=O)OC(C)(C)C)CC(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1	2124533208	BNFQBONHHBIYMQ-POZPTJLLSA-N	367.450	2.465	10	10	FECE	
C[C@H](N=c1nc(CNC(=O)OC(C)(C)C)[nH]n1C)c1ccc(F)cc1O	2126796040	MXOXSMRSIUFDQM-JTQLQIEISA-N	365.409	2.280	10	10	FECE	
C[C@H](O)[C@H](C(=O)O)N1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S	1858596012	MBLOVSPLEFDDTJ-XTQFLBBASA-N	362.432	2.203	10	10	FECE	
Cc1cccc(CNC(=O)[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)c1O	2139752024	WDSYAGWTZFNRPZ-LJQANCHMSA-N	364.442	2.079	10	10	FECE	
C[C@H](C[S@](C)(=O)=NCc1cc(N)ccc1O)NC(=O)OC(C)(C)C	1999485802	WFKOKVUPJLVDOD-JNDILOIQSA-N	357.476	2.485	10	10	FECE	
C[C@H]1CN(CCC(=O)Nc2ccc(N)cc2)C[C@@H]1NC(=O)OC(C)(C)C	2106661269	BPOXOGPXMQCNQE-BBRMVZONSA-N	362.474	2.442	10	10	FECE	
CN1CCc2cc([C@H](N)[C@H]3CN(C(=O)OC(C)(C)C)CCN3C)ccc21	2106860862	VCHPJCDXQHXAJQ-MSOLQXFVSA-N	360.502	2.230	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NCc3cc4c(cc3O)OCO4)[C@H]2C1	2095035831	PWEJHVFUPLQEIH-IHRRRGAJSA-N	362.426	2.466	10	10	FECE	
CC(C)(C)OC(=O)N1CCCN(CC(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])CC1	2225802526	ZKIFKTVJHDYTKQ-KGLIPLIRSA-N	366.466	2.277	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(C(=O)C(=O)C[C@H]3C[C@H](N)C3)C[C@@H]21	2330093454	GXYSXEQOJCGTKH-JJJDSLNPSA-N	362.470	2.430	10	10	FECE	
O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cc([N+](=O)[O-])ccc3O)C2)nc1	173472467	HOGINTDPMMEXDV-GFCCVEGCSA-N	359.342	2.290	10	10	FECE	
CCN(CC)c1ccc(CN2CCN(c3ccc4nncn4n3)CC2)cc1	120508357	SQKIETURGWGXPB-UHFFFAOYSA-N	365.485	2.293	10	10	FECE	
Cc1nc(CN(C)C(=O)c2cccc3c2C(=O)c2ccccc2C3=O)no1	183325976	KLSPBQYYAIIGMB-UHFFFAOYSA-N	361.357	2.426	10	10	FECE	
CSc1ccc(N2C[C@@H](C(=O)NCc3ccc(O)c(O)c3)CC2=O)cc1	367884214	GAERYQFURVBUHX-ZDUSSCGKSA-N	372.446	2.489	10	10	FECE	
Cc1csc(=O)n1CCC(=O)NCc1cc(Br)ccc1O	804735479	AQIOSPKWNFRNOR-UHFFFAOYSA-N	371.256	2.393	10	10	FECE	
Cc1cc(C(=O)N2CCN(C(=O)C(C)C)CC2)c(C)n1-c1ccccn1	298310331	VHESHTGGQLBWDX-UHFFFAOYSA-N	354.454	2.430	10	10	FECE	
Cn1nc(C(=O)NCCc2ccc(N)cc2)c(Br)c1Cl	2167041042	YHWJFNKAWDVQTM-UHFFFAOYSA-N	357.639	2.391	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCn3nnc(CO)c3C2)c1C	816682795	JGPMWCZIYXBIGX-UHFFFAOYSA-N	365.437	2.142	10	10	FECE	
O=C(c1c[nH]nc1[C@@H]1CCNC1)N1CCc2cc(Br)ccc21	662416884	IVKUWLXMNJCEKM-LLVKDONJSA-N	361.243	2.452	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)C1(c2ccc3c(c2)OCCO3)CC1	907055943	ICILHERWFOZTOJ-UHFFFAOYSA-N	355.390	2.260	10	10	FECE	
Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(O)c(O)c3)CC2=O)cc1	916590592	ANCSSGQJHDDIFG-CQSZACIVSA-N	369.373	2.185	10	10	FECE	
O=S1(=O)C[C@H](CNCc2cc(Cl)ccc2O)Oc2ccccc21	842722212	OAPSPNFERFKMOT-ZDUSSCGKSA-N	353.827	2.370	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)N[C@@H]1CC[C@@H]2CNC[C@H]2C1	842016226	TUXGFTOXADDHMK-JTNHKYCSSA-N	368.275	2.342	10	10	FECE	
O=C(N[C@@H]1CNCCC1(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1	842001567	GQQVMEBHCKLNLU-GDBMZVCRSA-N	369.412	2.080	10	10	FECE	
C[C@@H](NC[C@]1(CO)COCCN1Cc1ccccc1)c1ccc(F)cc1O	850555576	OWOHBSHWCAJSNA-IERDGZPVSA-N	374.456	2.445	10	10	FECE	
C[C@@]1(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1(F)F	852580112	FMPJSWQDLATMRJ-KRWDZBQOSA-N	353.413	2.492	10	10	FECE	
COc1ccc(N2CCC(NC(=O)COCc3ccnc(O)c3)CC2)cc1	859096236	AIGHZRFIWSLRDK-UHFFFAOYSA-N	371.437	2.098	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@@H](C)c3ccnn3C)C2)cc1	868720781	QJCYOUNBGLRIHO-LSDHHAIUSA-N	357.458	2.315	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)c1O	932024183	GIUBAKFZCDFPAH-FZKQIMNGSA-N	350.390	2.444	10	10	FECE	
CS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1	897835883	KMXXUWSDYXQXBR-SNVBAGLBSA-N	369.464	2.209	10	10	FECE	
Cc1cccc(N2C(=O)NC(=O)/C(=C\Nc3c(C)nn(C)c3C)C2=O)c1C	1084412638	AGEYBZCMUOISQN-NTEUORMPSA-N	367.409	2.233	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)NCC2(C3(O)CCOCC3)CC2)c1	1313329638	XVDNSANHLWDQQW-ZDUSSCGKSA-N	364.442	2.083	10	10	FECE	
CS(=O)(=O)NC[C@@H]1CCC[C@H]1NCc1ccc(N2CCCC2)cc1	1325185169	PIVUTGYGCQJZBC-FUHWJXTLSA-N	351.516	2.094	10	10	FECE	
C[C@@H]1[C@@H](NCc2cc(Cl)cc(Br)c2O)CCS1(=O)=O	708137700	CRWSFGWYJZTVNA-HQJQHLMTSA-N	368.680	2.473	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1CC[C@H](O)[C@H](O)CC1	1263935853	OWCYZPKEBGDUCJ-PDFPEKILSA-N	370.449	2.301	10	10	FECE	
Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1C[C@@H](C)N(C)C	1612536636	IERPMFBJILFLNK-MRXNPFEDSA-N	372.517	2.010	10	10	FECE	
Cc1cc(CNC(=O)Cc2ccc(C(N)=O)nc2)c(C)n1-c1ccccc1	1544087550	TUZVNENUFMAVDU-UHFFFAOYSA-N	362.433	2.447	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H](F)[C@@H](CO)C3)ccc(N)c2C1	2120625366	CYQPVTAMXGGPRA-IUODEOHRSA-N	365.449	2.329	10	10	FECE	
COc1ccc(N2CCCN(C(=O)c3cc4n(n3)CCC[C@@H]4O)CC2)cc1	1630717863	CDNCGYALMYLFDG-IBGZPJMESA-N	370.453	2.071	10	10	FECE	
O=C(NCCO)c1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)cc1	1637719867	AIRSDVOSRPKLCV-UHFFFAOYSA-N	372.402	2.287	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCCc2nnc(S)n2C2CC2)cc1	1641277071	RZRFLXSKBMUWPS-UHFFFAOYSA-N	359.415	2.037	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1nnc(S)n1C	1585373664	RALLPFDMVGJEIM-UHFFFAOYSA-N	369.450	2.254	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2124503914	RIQSIWCVJSNCRK-WCQYABFASA-N	363.422	2.004	10	10	FECE	
CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CC1	2124533667	QCVWXQZVNAGJCQ-ZDUSSCGKSA-N	366.466	2.134	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H]3CSC3(C)C)CC2)c(OC)c1	1681936644	NSFSRRJCGHGTMX-INIZCTEOSA-N	365.499	2.429	10	10	FECE	
O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(F)cc2F)SC1=S	1858596255	QXWVENMYTCFSSH-NZGAHHFVSA-N	373.358	2.094	10	10	FECE	
CCN(C(=O)c1cc(O)c(O)c(O)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1	2132405419	ZDYLGARNRYWJHA-LBPRGKRZSA-N	366.414	2.275	10	10	FECE	
C[C@H](NCc1cc(Cl)cc(Br)c1O)C1CS(=O)(=O)C1	1966009853	JTSBGUFLWZKQNY-ZETCQYMHSA-N	368.680	2.331	10	10	FECE	
CCN[C@@H](c1ccccc1O)[C@](O)(CNC(=O)OC(C)(C)C)COCC	1922526375	KRJUQUYXGOVGQL-LPHOPBHVSA-N	368.474	2.335	10	10	FECE	
C[C@H](N)c1ccc(N(C)CC2(S(C)(=O)=O)CC2)c(Br)c1	2167825825	NIVBAWVJHDCKSG-JTQLQIEISA-N	361.305	2.482	10	10	FECE	
CC(C)(C)OC(=O)NCCN(CC(F)F)C(=O)Cc1ccc(N)cc1	2044623882	ZSNAIJXTRMYVFS-UHFFFAOYSA-N	357.401	2.430	10	10	FECE	
C[C@H]1C[C@H](NC(=O)c2ccc(O)c(O)c2)CN(C(=O)OC(C)(C)C)C1	2054412583	FJEMEBSOJZNXDK-AAEUAGOBSA-N	350.415	2.473	10	10	FECE	
C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060640781	YRYNWQWKJZWIQQ-UPJWGTAASA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C1	2060640597	WSIRWUBUQONQBY-QWHCGFSZSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@@H](F)CN1CC(=O)Nc1ccc(N)cc1	2106751049	PCXBFZYXXASTQB-IUODEOHRSA-N	366.437	2.144	10	10	FECE	
CN1CCCc2cc([C@@H](N)[C@H](O)C3(NC(=O)OC(C)(C)C)CC3)ccc21	2106939514	BZQDRSXKTLKUKF-SJORKVTESA-N	361.486	2.487	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CC[C@H](O)[C@H](F)C3)ccc(N)c2C1	2088319472	AICOAABNCDREIK-PBHICJAKSA-N	365.449	2.471	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4C[C@H](C3)[C@@H]4O)ccc(N)c2C1	2270719022	RWBPHEJVHXNUFD-MCBXIFIFSA-N	359.470	2.379	10	10	FECE	
CC(C)CN1C(=O)C(=CNCc2ccc(Cl)cc2)C(=O)NC1=S	2295113252	WCPQGRCITQALMU-UHFFFAOYSA-N	351.859	2.213	10	10	FECE	
C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc2c(c1)OCCO2	102682350	ROICNIVJSJKDED-OAHLLOKOSA-N	369.465	2.491	10	10	FECE	
Cc1cc(C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c(C)n1-c1ccccn1	174318213	RGPHBFODYNAFQB-HZPDHXFCSA-N	356.470	2.016	10	10	FECE	
COCCCCNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	125817880	DQBBGSXKJQTWSA-UHFFFAOYSA-N	374.529	2.444	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CC[S@](=O)[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1	265672170	ZTHWFEBPGAQJMJ-KRFRTXBUSA-N	352.412	2.127	10	10	FECE	
CC[C@@H](NC(=O)C(=O)NCCCSc1nccs1)c1nccs1	806277692	FLXKZVBALZEYFU-SNVBAGLBSA-N	370.525	2.466	10	10	FECE	
O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)NCc5cc(Br)ccc5O)[C@@H]4[C@H]3[C@@H]12	804736586	XWRSYADXOAESFN-PAIFALCGSA-N	374.234	2.098	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)C(F)(F)C1CCOCC1	819698625	OZOCVUSMUKOTKN-UHFFFAOYSA-N	371.380	2.346	10	10	FECE	
CNC(=O)Cn1cc(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)cn1	822712570	FIWCUKYAMKHFMS-UHFFFAOYSA-N	365.437	2.218	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cncc(Cl)c3)cc2)C1	825373923	XWSFKJHLGHXOOW-CQSZACIVSA-N	372.856	2.367	10	10	FECE	
CC[C@](C)(CO)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	847360614	CXARRXJODHOTOC-BIENJYKASA-N	352.450	2.464	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)[C@@]34C[C@H]5C[C@@H](C(=O)N3)[C@H]4C5)cc2)CC1	845459114	MOCCSSHVIIOWCT-VGYLUTEMSA-N	367.493	2.454	10	10	FECE	
CN(C)c1ccc(CNC(=O)COc2cc(Cl)ccc2C(N)=O)cc1	745020547	LJNGUEVUHYBPSW-UHFFFAOYSA-N	361.829	2.200	10	10	FECE	
C[C@H](NC[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(N2CCOCC2)c(F)c1	926943295	BZFHZRVIAOIULD-PSLQGDIJSA-N	350.434	2.117	10	10	FECE	
C[C@@H](CC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)NC(N)=O	847324823	HSFMRFPTZKMSCJ-AWEZNQCLSA-N	358.442	2.321	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)N(C)CC(F)(F)F)C2)cc1	855224962	MEQWBSNZLZBORS-OLZOCXBDSA-N	359.392	2.273	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3CCN(C(C)C)C3)C2)cc1	852186842	IPIOSNRVYIGXOV-IAGOWNOFSA-N	360.502	2.303	10	10	FECE	
O=C(NCc1c(O)cccc1F)[C@@H]1CCCN(C(=O)c2ccncc2)C1	928706501	UTZZQYJJRXXYIU-CQSZACIVSA-N	357.385	2.095	10	10	FECE	
Cc1ccc(-n2c(C)cc(C(=O)CN3C[C@@H](O)C[C@@H](O)C3)c2C)cc1C	752310077	KXRMMFVGZKKAHF-KDURUIRLSA-N	356.466	2.321	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CCN[C@H]1C	861700989	MDGCBHCCFTUJFP-GXFFZTMASA-N	356.264	2.437	10	10	FECE	
COc1cccc([C@H](C)N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)c1O	866492189	KWMJHPZFODAOCJ-APHBMKBZSA-N	368.499	2.444	10	10	FECE	
CO[C@@H]1CN2C(=O)N([C@H](C)c3ccc(N4CCOCC4)cc3)C(=O)[C@]2(C)C1	865301816	PNDMUGVEGFNZAT-LIVBEALHSA-N	373.453	2.026	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CNCC(C)(C)C(=O)N2CCCC2)c1O	862527692	DQYIOUMRVFJYRW-UHFFFAOYSA-N	351.403	2.047	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2	762268545	JZZDSSVQPXHNSK-CABCVRRESA-N	355.390	2.331	10	10	FECE	
CCC1(N2CCOCC2)CCN(C(=O)NCCc2ccc(N)cc2)CC1	861640520	MLSVLAGMXDRPDU-UHFFFAOYSA-N	360.502	2.098	10	10	FECE	
COc1ccc(CN2C[C@H](C(=O)N3Cc4cccc(O)c4C3)CC2=O)cc1	871201723	ZRRVJFNNOWOGIJ-MRXNPFEDSA-N	366.417	2.292	10	10	FECE	
C[C@H](NC(=O)[C@@H]1COCC[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O	1877573152	HRMKLQNSSPWFDC-CFVMTHIKSA-N	364.442	2.499	10	10	FECE	
CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H](O)C1(C)C)c1ccc(N)cc1	1879117691	GDWQMTMDJVZZMC-LIRRHRJNSA-N	363.458	2.286	10	10	FECE	
O=C(NCc1c(O)cccc1F)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1	1156170851	VDIUBMRZFKWQGR-AWEZNQCLSA-N	374.387	2.378	10	10	FECE	
CC(C)(C)OC(=O)N1CC(O)(C(=O)NCc2c(O)ccc3ccccc23)C1	1157041311	CWHPFARJYNMXCU-UHFFFAOYSA-N	372.421	2.143	10	10	FECE	
COC(=O)[C@@H](CC(C)C)N1CCN(c2ccc(OC)cc2OC)CC1	1175522701	KWVSNMWMXKLAFH-QGZVFWFLSA-N	350.459	2.414	10	10	FECE	
C[C@H](O)c1ccc(N(C)[C@@H](C)CS(C)(=O)=O)c(Br)c1	688602717	SHAXFQZLVIVNTM-UWVGGRQHSA-N	350.278	2.372	10	10	FECE	
Cc1nc([C@H](C)NC(=O)NCc2cc(Br)ccc2O)no1	1346278773	XBZSAYDMFISJCV-ZETCQYMHSA-N	355.192	2.407	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(C2CC2)nc1O	1442232434	IVHLCYIVPOSFQP-UHFFFAOYSA-N	353.422	2.431	10	10	FECE	
Cc1ccc(C(=O)N2CCC[C@H](NC(=O)c3ccccc3)C2)c(O)c1O	1444690455	VSMWBALNKIQWRO-HNNXBMFYSA-N	354.406	2.441	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)CCSc2ncnc3[nH]cnc23)c1	1445971709	XRKPMTYBIXKDBT-JTQLQIEISA-N	373.438	2.427	10	10	FECE	
CCn1cc(Cl)c(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)n1	1536532628	TXJUPNAOQHZJFC-UHFFFAOYSA-N	361.877	2.238	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1CCC1(O)CCOCC1	1613923582	XEXRJCOEDQPLHV-UHFFFAOYSA-N	360.458	2.114	10	10	FECE	
CCC/C=C\[C@H](O)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O	1546151683	CUNZQVTWRDHEOV-YVACAVLKSA-N	355.818	2.264	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(Cc2ccccn2)n1CC1(O)CC1	1711095217	FHYWDQQBTZCZNO-UHFFFAOYSA-N	365.437	2.131	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCc2cncnc2N)cc1	1566360511	MVAXDXATUNCRBE-UHFFFAOYSA-N	363.421	2.138	10	10	FECE	
CC(C)(CO)c1nc2ccc(C(=O)NCc3cccc(O)c3O)cc2[nH]1	1633515583	HIOOQRLTABIFIW-UHFFFAOYSA-N	355.394	2.174	10	10	FECE	
Cc1ncc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1C	1566357120	XAWJIWWNTDIURU-HNNXBMFYSA-N	362.861	2.482	10	10	FECE	
CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)Cc1ccc(O)c(O)c1	1584665621	SIJPWGXUWSPQBA-UHFFFAOYSA-N	350.321	2.016	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)[C@@H](CN(C)C)NC(=O)OC(C)(C)C	2124171233	FGFKPJUGKCLQPH-UKRRQHHQSA-N	365.474	2.367	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2COC[C@@]2(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1	2124541100	OOFIAIZUPIJSNR-XNJGSVPQSA-N	365.434	2.029	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](C(=O)N1CC[C@@H](CN=[N+]=[N-])C1)[C@H]1CCOC1	2124506659	ZRPCCQFNRGRQOM-IHRRRGAJSA-N	367.450	2.323	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]2CN(c3cc4c(cc3N)OCCO4)C[C@H]21	2132356339	KYCLPZMWAMNJAI-SWLSCSKDSA-N	361.442	2.486	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cc(O)c(O)c(O)c1	2132401686	VJVFHNVVVQVABG-NSHDSACASA-N	366.414	2.275	10	10	FECE	
CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1	1915256379	YLTZOPRYHXLJQB-ZWKOTPCHSA-N	372.465	2.013	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CC[C@@](F)(CO)C3)ccc(N)c2C1	1917055834	BTMKMBJWQSIXRT-IBGZPJMESA-N	365.449	2.473	10	10	FECE	
CC(C)(C)OC(=O)NC1CC2(C1)[C@@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)C2(F)F	2142143726	MVWCRFPRQRJXNF-ZMAODWQCSA-N	372.412	2.191	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](NCc3ccc(O)c(O)c3O)C[C@@H]21	2037299142	UULVTSOCOMGPRP-AGIUHOORSA-N	350.415	2.291	10	10	FECE	
O=C(O)[C@@H]1CO[C@@H](CNCc2cc(Cl)cc(Br)c2O)C1	714007786	LIYVQCSESJWOPK-WCBMZHEXSA-N	364.623	2.387	10	10	FECE	
CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNc2ccc(N)cc2)C1	2044214731	OEPHZOKSPBGXCQ-HNNXBMFYSA-N	369.487	2.105	10	10	FECE	
C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)Cc1ccc(N)cc1	2044650747	QNXVVQLMUZSLQG-DOMZBBRYSA-N	369.487	2.086	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)C(=O)C[C@H]3C[C@H](N)C3)C[C@H]21	2049783037	QCFGFWCEQSTBIY-XDSHMYFISA-N	350.459	2.191	10	10	FECE	
CCO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2060640568	WPXYDSAQWJHSLH-STQMWFEESA-N	355.439	2.465	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)N(C)CCCN=[N+]=[N-]	2060635055	HIPIBEWOKLAEDP-CHWSQXEVSA-N	355.439	2.417	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4C(CO)[C@H]4C3)ccc(N)c2C1	2090730083	LNBSQDABDZACPH-KBPBESRZSA-N	359.470	2.237	10	10	FECE	
Cn1cc(C(=O)C[C@H]2CCCN2C(=O)C=Cc2ccc(O)c(O)c2)cn1	2307990089	XAUIWASDXVOOLD-OAHLLOKOSA-N	355.394	2.109	10	10	FECE	
CCN1CCN(C(=O)C=Cc2ccc(N3CCOCC3)cc2)C(C)(C)C1=O	2310223535	JJZNVBIGJKPOFZ-UHFFFAOYSA-N	371.481	2.006	10	10	FECE	
O=C(O)[C@@H](Cc1cnc[nH]1)N1C(=O)C(=Cc2ccsc2)SC1=S	2323718774	ZSADCXDKBWMTKN-SNVBAGLBSA-N	365.461	2.368	10	10	FECE	
CCN(C)c1ccc([C@@H](C)Nc2cnn(CC(=O)NCCOC)c2)cc1	180108398	IFOKQKIHJUSYNY-OAHLLOKOSA-N	359.474	2.275	10	10	FECE	
COc1cc(Br)cc(CN2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)c1O	249586153	OIZPQXOHXPYESI-PIDAWJGCSA-N	354.244	2.364	10	10	FECE	
CC(C)(C)[S@@](=O)CCNC(=O)/C=C\c1ccc(N2CCOCC2)cc1	255293598	LPEQBHOSLCUMKK-XJYXNRRLSA-N	364.511	2.200	10	10	FECE	
CC(C)(C)OC(=O)NCC(=O)NCc1cc(Br)ccc1O	804735326	UUQNHNLUXMMBNY-UHFFFAOYSA-N	359.220	2.296	10	10	FECE	
COC[C@](C)(O)CCNC(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2	652379513	RCSDCOOXRWZRJD-OAQYLSRUSA-N	374.481	2.432	10	10	FECE	
CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(CO)c1	711744335	KTXUZKDGSPEYJZ-FQEVSTJZSA-N	371.437	2.160	10	10	FECE	
CO[C@@H](CS(=O)(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1	827183648	NWMREUGNSWJTJV-WMZOPIPTSA-N	369.483	2.128	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)Nc3cc(OC)n(C)n3)C2)cc1	824288541	FDGRYPBEINHRQP-ZDUSSCGKSA-N	359.430	2.085	10	10	FECE	
COc1cc(CC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)ccn1	829869318	NJGKKOKVCCMIGD-UHFFFAOYSA-N	359.401	2.129	10	10	FECE	
Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CNC(=O)N3)c2C)c1	732361634	MBXIPZJJEYCNKD-QGZVFWFLSA-N	369.421	2.118	10	10	FECE	
CO[C@@H](C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1)C1CCCC1	832793616	CTQDFKIVPWARSC-HXUWFJFHSA-N	373.497	2.177	10	10	FECE	
Cc1cc(O)c(CNCCNS(=O)(=O)c2ccccc2)c(Cl)c1	840886107	OALIQTGLFLXETK-UHFFFAOYSA-N	354.859	2.422	10	10	FECE	
CCS[C@H]1CC[C@@H](N(C)Cc2cc(O)n3ncc(C(=O)O)c3n2)C1	846255413	FUDRXNYSRXEOPC-NEPJUHHUSA-N	350.444	2.239	10	10	FECE	
CC[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@H]1CCCCO1	848936628	HMQBTJPFWDIVAK-FHLIZLRMSA-N	361.486	2.394	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Cn3cnc4c3CCCC4)C2)cc1	855228098	VFCAHXGAMZRQSR-OAHLLOKOSA-N	354.454	2.166	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H]2CCC(=O)N(C)C2)cc1	859498483	JRRPMYSBYQTECJ-SFHVURJKSA-N	367.449	2.186	10	10	FECE	
CCCN(CC(F)(F)F)C(=O)COC(=O)/C=C/c1ccc(O)c(O)c1	859600067	AHPRTEZHWCUJSH-GQCTYLIASA-N	361.316	2.455	10	10	FECE	
COC(=O)/C=C\c1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)o1	854198705	PQMZMJNPEJYWCB-NTMALXAHSA-N	370.405	2.437	10	10	FECE	
COc1ccc(N2CCCN(S(=O)(=O)[C@H]3COC(C)(C)C3)CC2)cc1	858913461	GJAGRPQXDBOEMU-QGZVFWFLSA-N	368.499	2.105	10	10	FECE	
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(O)cc1F	758169080	MKBZBOVXHGIINJ-UHFFFAOYSA-N	370.314	2.027	10	10	FECE	
CCNC(=O)c1ccc(NCc2ccc(N3CCC(CO)CC3)cc2)nn1	756768436	UKWJWLONZJMQBT-UHFFFAOYSA-N	369.469	2.047	10	10	FECE	
COc1ccc(N2CCCN(C(=O)/C=C/COC3CCOCC3)CC2)cc1	864949945	REMMCXZXRXASPH-DUXPYHPUSA-N	374.481	2.486	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCCS(=O)(=O)C[C@@H]2C2CC2)c1O	933921042	AAQABLRTFNDSFK-MRXNPFEDSA-N	355.431	2.133	10	10	FECE	
CC(=O)C1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1	875749606	OFIMKAPGDGTEHG-UHFFFAOYSA-N	359.470	2.158	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@H](O)Cc1cccc(C(F)(F)F)c1	1156885686	LXQLSZRFVIVSPV-OAHLLOKOSA-N	355.312	2.336	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccoc1	1314753809	ZZQBDHMQYVKARD-HNNXBMFYSA-N	367.409	2.213	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCCCNC(=O)c2cccs2)cc1	1443017260	MMKIWFCITMQIIR-UHFFFAOYSA-N	359.411	2.460	10	10	FECE	
CC[C@@H](CN(C)C[C@@H](O)COc1ccc(N)cc1)NC(=O)OC(C)(C)C	2116685861	SFDOATMAEJDDSK-JKSUJKDBSA-N	367.490	2.244	10	10	FECE	
COc1ccc(N2CCCN(C(=O)c3ccc4ncn(C)c4n3)CC2)cc1	1542171456	NEXNSNDELBAQMJ-UHFFFAOYSA-N	365.437	2.329	10	10	FECE	
CCn1c(O)nnc1C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1	1627560283	RALJWIKAGYQFJU-UHFFFAOYSA-N	371.401	2.186	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)cc1	1622297084	PYBLXVFIURXTQX-CABCVRRESA-N	372.381	2.407	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)/C=C\[C@H]2COC(C)(C)O2)N(C)C)cc1	1637004736	NLMBMSXQBBOZJC-IXTIOBCPSA-N	361.486	2.179	10	10	FECE	
CN1C(=O)CN(C(=O)/C=C/c2cn(C)cn2)c2ccc(C(F)(F)F)cc21	1585906573	VFLHHFOPPKHHLM-GQCTYLIASA-N	364.327	2.462	10	10	FECE	
COc1ccc(N2CCN(C(=O)CCOCC(C)C)CC2)c(OC)c1	1595996649	IHQPUMSUVDFPTQ-UHFFFAOYSA-N	350.459	2.415	10	10	FECE	
C[C@@H](N=c1nc(CNC(=O)OC(C)(C)C)[nH]n1C)c1cc(F)ccc1O	2126794046	DFSDDAHMYUJXJJ-SNVBAGLBSA-N	365.409	2.280	10	10	FECE	
COc1ccc(N2CCC(NC(=O)Nc3cnc(N(C)C)nc3)CC2)cc1	154444062	WPESAIDXITXDKH-UHFFFAOYSA-N	370.457	2.342	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@@H](F)C1	2136257057	VVWWAMFREAUCDB-OLZOCXBDSA-N	368.405	2.104	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@]1(C)CNCCc1ccc(O)c(O)c1	2136483063	WLFBHOKKOOQZDQ-IBGZPJMESA-N	366.458	2.256	10	10	FECE	
CCCNCc1ccc(N(C)CCS(C)(=O)=O)cc1Br	233104508	KHKGJFFJAWZIGX-UHFFFAOYSA-N	363.321	2.430	10	10	FECE	
C[C@H]1Cn2[nH]c(=NCc3ccc(O)c(O)c3)cc2CN1C(=O)OC(C)(C)C	2149124271	VMJWINPQHQOBGD-LBPRGKRZSA-N	374.441	2.468	10	10	FECE	
O=S1(=O)CCC[C@H]2CN(Cc3cc(Br)ccc3O)C[C@H]21	2145073532	ORDIDCWHFUKULV-IINYFYTJSA-N	360.273	2.164	10	10	FECE	
CCN(c1ccc([C@@H](C)N)c(Br)c1)[C@H]1CCS(=O)(=O)C1	387405380	LRVPBLFHOXQAJI-PWSUYJOCSA-N	361.305	2.482	10	10	FECE	
COc1ccc([C@H](C2CC2)n2nc(C(F)F)c(C(N)=O)c2N)c(O)c1	2079857468	ARYQAJCOEPNRIV-ZDUSSCGKSA-N	352.341	2.215	10	10	FECE	
CN(Cc1ccccc1O)C(=O)c1cn(CCNC(=O)OC(C)(C)C)cn1	2180942485	CGVNIXBITZZTRX-UHFFFAOYSA-N	374.441	2.386	10	10	FECE	
CC(C)(C)OC(=O)NC1CC(F)(CNC(=O)Cc2ccc(N)cc2)C1	2044233040	NFWLNIBSXSHSBN-UHFFFAOYSA-N	351.422	2.323	10	10	FECE	
C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)CCOc1ccc(N)cc1	2044232160	VPBKIYCFORCNEV-CYBMUJFWSA-N	351.447	2.457	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@@H](F)CN1C(=O)Cc1ccc(N)cc1	2044640500	FDUMNOQSBRBIRL-UKRRQHHQSA-N	351.422	2.275	10	10	FECE	
C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1ccc(O)c(O)c1	2054412893	HHZANKKZTNJXLL-LLVKDONJSA-N	350.415	2.473	10	10	FECE	
CO[C@H](C(=O)N1CCC[C@H](N=[N+]=[N-])C1)C1CN(C(=O)OC(C)(C)C)C1	2060633467	OCLLLIYYQIPVFK-STQMWFEESA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CCN(c3cc4c(cc3N)OCCO4)C2)C1	2106811696	ITBGCLYRBKPHTN-UHFFFAOYSA-N	361.442	2.487	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N[C@@H]3CCC[C@H]3N=[N+]=[N-])[C@@H]2C1	2225797080	CYPNQJJYNSGZPQ-QNSTZXKLSA-N	365.434	2.216	10	10	FECE	
CN(C(=O)c1c[nH]nc1CCNC(=O)OC(C)(C)C)c1cccc(O)c1	2227005852	FEILCUMTJRGSAF-UHFFFAOYSA-N	360.414	2.459	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CO1	2264798435	IAJFXSSARWIGKN-IHRRRGAJSA-N	367.450	2.465	10	10	FECE	
COc1ccc(N2C[C@@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c(OC)c1C	2278067360	YEZJZIAKBOTAOA-KBPBESRZSA-N	366.458	2.477	10	10	FECE	
CN(C)c1ccc([N+](=O)[O-])cc1C=C1C(=O)NN(c2ccccc2)C1=O	2297100763	FAVZLUULMBCIMW-UHFFFAOYSA-N	352.350	2.122	10	10	FECE	
COc1ccc(OC)c(C=C2SC(=S)N(CCNC(C)=O)C2=O)c1	2323719841	JRSHBJVFDSLQOW-UHFFFAOYSA-N	366.464	2.041	10	10	FECE	
COC[C@@]1(C(=O)NCc2ccccc2O)C=CCN1C(=O)OC(C)(C)C	2336388382	BQAGGUCGEMJSEQ-LJQANCHMSA-N	362.426	2.201	10	10	FECE	
CN(C)c1ccc(CNC(=O)CSc2nnnn2-c2ccccc2)cc1	7340000	KBHOTHWUTBKTFC-UHFFFAOYSA-N	368.466	2.137	10	10	FECE	
Cc1ccc(C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c(O)c1O	177680074	SWPILIGBYUGPLD-GJZGRUSLSA-N	362.470	2.368	10	10	FECE	
CCC1(CC)CN(C(=O)c2ccccc2S(=O)(=O)CC)CC[S@]1=O	186729984	CXGHROTZDLMPSF-HSZRJFAPSA-N	371.524	2.244	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3sc(CN(C)C)nc3C)CC2)cc1	49667183	NZHVBDKAWYKORC-UHFFFAOYSA-N	374.510	2.484	10	10	FECE	
Cc1ccc([C@](C)(O)CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)o1	81834233	CZPSEIMDXMHNIF-VMLCMGRWSA-N	370.449	2.462	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)C3(C)C[C@H]4C[C@@H]4C3)CC2)cc1	815134995	MYYDKLHOIROYQU-IAGOWNOFSA-N	357.498	2.370	10	10	FECE	
C[C@@H](NC(=O)COc1ccc(N2CCCCC2)c(Cl)c1)C(=O)N(C)C	817381271	FTLVCEOEOHGTCD-CYBMUJFWSA-N	367.877	2.302	10	10	FECE	
Cc1ccc(C(=O)Nc2cccc(N3C(=O)N[C@H](C)C3=O)c2C)c(O)c1O	813852178	XWFZIZBHCSOVOV-LLVKDONJSA-N	369.377	2.412	10	10	FECE	
CC(=O)NC(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1	828582784	JZIGIVHYQQATKT-OAHLLOKOSA-N	359.451	2.484	10	10	FECE	
COc1cc(Br)cc(CN2CCC[C@@](CO)(OC)C2)c1O	826952057	FRFTYQPQLXKMKR-OAHLLOKOSA-N	360.248	2.137	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCCC[C@H]2CNS(C)(=O)=O)cc1	835026191	RWXDMHSGCVEFPI-DKFQHHCZSA-N	351.516	2.170	10	10	FECE	
COC(=O)/C(C)=C/CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	925034395	BTHKIUWAWHIKEH-SCZPIIQISA-N	362.426	2.202	10	10	FECE	
COc1ccc(N2CCN(C(=O)COC(=O)[C@@H]3[C@H]4CCCC[C@H]43)CC2)cc1	750914634	SLQXKGYFLVWBPJ-RUYXUALKSA-N	372.465	2.323	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccc(C)o3)C2)cc1	852454260	OPLHXRJOHKNASE-YOEHRIQHSA-N	359.426	2.208	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCc2cc(N)ccc21	851688867	DZSJMJPBSLOJGG-LJQANCHMSA-N	366.465	2.097	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H](C)Cc3ccco3)nc12	850061048	ZJLKERVACPXFLL-LLVKDONJSA-N	373.365	2.127	10	10	FECE	
C[C@]1(Br)C[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1	858724134	KFSYWEJQSDOIJJ-ZBFHGGJFSA-N	353.260	2.313	10	10	FECE	
CCO[C@@H](C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1)C(C)C	861213179	JGXWQWUTRRUFGI-LJQANCHMSA-N	361.486	2.032	10	10	FECE	
COC(=O)Cc1sccc1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	869229609	ZDBRQTUEJJSXNP-ZDUSSCGKSA-N	374.462	2.481	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2CCNC(=O)CC2)c1	861995447	BUVFFFBOPJEZIJ-QGZVFWFLSA-N	353.422	2.305	10	10	FECE	
COC(=O)[C@@]1(OC)CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)C1	862475236	DIQJDUJAKMOMRQ-LJQANCHMSA-N	351.443	2.462	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCc1cc(Cl)ccc1O	862130435	HEYKLMCEJGHWMW-OCCSQVGLSA-N	370.833	2.344	10	10	FECE	
C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1	1118941366	BGGYGSMVHOVUFH-DYVFJYSZSA-N	351.406	2.239	10	10	FECE	
O=C(O)c1cc(O)ccc1NS(=O)(=O)c1ccc(Br)cn1	776433062	LHISAPWBNYFFAE-UHFFFAOYSA-N	373.184	2.049	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	773995833	XHSMUUVTPIFGMC-AZWQULSGSA-N	352.438	2.398	10	10	FECE	
CN1C[C@H]2[C@@H](NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)CC[C@H]2C1	1123704478	BXIKMHFGBLYXAS-AITUJVMLSA-N	373.497	2.423	10	10	FECE	
Cc1sc2ncn(CCC(=O)NCc3ccc(O)c(O)c3)c(=O)c2c1C	778927734	UDSUGOKJJNWLPU-UHFFFAOYSA-N	373.434	2.193	10	10	FECE	
COCCN1CC[C@@H](NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1	784607682	XOLCAOBVHLXAFJ-OAQYLSRUSA-N	372.557	2.029	10	10	FECE	
COC(=O)[C@@H]1CCN1C(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	1134372013	UUILTONEHSLOQF-IBGZPJMESA-N	369.465	2.182	10	10	FECE	
O=C1/C(=C\N2CCOCC2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	1084501988	NTCJRSBWOLEKKX-FMIVXFBMSA-N	351.409	2.133	10	10	FECE	
COC(=O)N(C)CCN(C)c1nnc(-c2sccc2O)n1CC1CC1	1520581767	WWHBFOCPWMVMBF-UHFFFAOYSA-N	365.459	2.257	10	10	FECE	
CCN(C)C(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1O	1615095869	IXDCYZIAUJIEMR-UHFFFAOYSA-N	368.441	2.094	10	10	FECE	
COc1ccc(CNC[C@@H](O)CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1C	1716088312	YHZRAWRKPNSPBP-QXCFHYIPSA-N	358.482	2.173	10	10	FECE	
O=C(NCc1ccccc1)C1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1	1624425415	ZXFJVWJRTLCCMY-UHFFFAOYSA-N	368.433	2.195	10	10	FECE	
NC(=O)[C@H]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)O1	1559138109	YHDPFOJQVILSTJ-WMLDXEAASA-N	369.377	2.271	10	10	FECE	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1	1622438546	YCEDMLPRYYIDJQ-ZWKOTPCHSA-N	360.454	2.323	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)N(C)C)cc1	1637004484	CLFKXEQBLZFNNR-SFHVURJKSA-N	371.441	2.276	10	10	FECE	
CCc1c(C)nc2ncnn2c1N1CCN(c2ccc(OC)c(F)c2)CC1	1639625835	IDPZONGPJUSYMK-UHFFFAOYSA-N	370.432	2.469	10	10	FECE	
O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCCN1C(=O)CCC1=O	1651532487	AZNXHYBVKXYKNJ-UHFFFAOYSA-N	367.361	2.387	10	10	FECE	
COC(=O)c1cc(C)ccc1S(=O)(=O)NCc1ccc(N(C)C)cc1	151530431	YYIKXSWFGRBSJF-UHFFFAOYSA-N	362.451	2.326	10	10	FECE	
C[C@H]1CC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)CN1C(=O)OC(C)(C)C	2132400316	LUSQDWICAQVSIC-JQWIXIFHSA-N	366.414	2.321	10	10	FECE	
CC(C)(C)OC(=O)NCCCC1CN(C(=O)COc2ccc(N)cc2)C1	2134809666	SJMCMBJHIVJFHK-UHFFFAOYSA-N	363.458	2.411	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@](C)(CNCc2ccc(O)cc2O)C1	2135092007	KJKOQAZHHQZXLX-LJQANCHMSA-N	366.458	2.461	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@H]1C[C@@H](O)CCO1	1951695850	OZGXAJSKCXMZLK-WOSRLPQWSA-N	353.415	2.074	10	10	FECE	
C[C@@H](N)c1ccc(N2C[C@H]3CCS(=O)(=O)[C@H]3C2)c(Br)c1	2145072520	KJXCNOGDGYVDJW-UDZFHETQSA-N	359.289	2.092	10	10	FECE	
C[C@@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)CCN1C(=O)OC(C)(C)C	2044648768	RRPDOTNXFJHOKP-CYBMUJFWSA-N	369.487	2.040	10	10	FECE	
CC(C)(C)OC(=O)NCCN(CC(F)F)C(=O)c1ccc(O)c(O)c1	2054415593	SKRVNSPZBYRREO-UHFFFAOYSA-N	360.357	2.330	10	10	FECE	
C[C@H](NC(=O)[C@H](O)C(C)(C)NC(=O)OC(C)(C)C)c1ccccc1O	2072475289	DZEHKZOXGFBIBQ-FZMZJTMJSA-N	352.431	2.234	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)CCO1	2106282213	IXRPSSNHCSRRJO-LSDHHAIUSA-N	364.446	2.463	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H]1C(F)F	2106732188	NKUVEXZLRMLQII-KGLIPLIRSA-N	369.412	2.428	10	10	FECE	
C[C@@H]1CN(c2cc3c(cc2N)OCC(=O)N3)CCN1C(=O)OC(C)(C)C	2106707067	WRSIVZGFZRGFKH-LLVKDONJSA-N	362.430	2.045	10	10	FECE	
Cc1cccc(CNCCOCCOCCNC(=O)OC(C)(C)C)c1O	2225559983	WXAOUQYYTDKICH-UHFFFAOYSA-N	368.474	2.348	10	10	FECE	
CCOC(=O)CN1C(=O)C(=Cc2ccc(C(=O)O)cc2)SC1=S	2293308649	PFTCOKGPPXBFPK-UHFFFAOYSA-N	351.405	2.149	10	10	FECE	
COc1ccc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)c(OC)c1	2297327033	FSCRUHIBNVEGKN-UHFFFAOYSA-N	352.346	2.370	10	10	FECE	
C[C@@H](NC(=O)C=Cc1ccc(N2CCOCC2)cc1)C(=O)OC(C)(C)C	2300170666	RGUFUQKHTUZCQZ-OAHLLOKOSA-N	360.454	2.383	10	10	FECE	
Cc1cccc(CNC(=O)CCN(CCCO)C(=O)OC(C)(C)C)c1O	2342651012	HJCKHGGPQJPLPG-UHFFFAOYSA-N	366.458	2.326	10	10	FECE	
O=C(NN1C(=O)/C(=C\c2ccncc2)SC1=S)c1ccccc1O	103039139	GLWZDLVESBQTSJ-UKTHLTGXSA-N	357.416	2.333	10	10	FECE	
COc1cc(/C=C2/SC(=S)N(C(C)C)C2=O)ccc1OCC(N)=O	20468895	IEMPPFBGOCBUQK-NTUHNPAUSA-N	366.464	2.169	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1	181246610	UQRMWUDWPUJVHZ-YRONHMJISA-N	356.422	2.113	10	10	FECE	
O=C1NC(=O)[C@@H]2[C@@H]1ON(Cc1ccccc1)[C@H]2c1cc(Cl)ccc1O	253616038	WXHIDBWCCWACDE-JYJNAYRXSA-N	358.781	2.175	10	10	FECE	
CCN1CCCN(Cc2ccc(C)c(Br)c2O)S1(=O)=O	2380777235	WDEHRGVJXOHWGW-UHFFFAOYSA-N	363.277	2.236	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cc3cn(C)nc3Cl)CC2)cc1F	814411003	PHFFLJIUBHQQJB-UHFFFAOYSA-N	366.824	2.113	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c(O)nnc(CC)c1CC	819760385	CMSJGQVHROXCDK-UHFFFAOYSA-N	350.415	2.428	10	10	FECE	
CCn1ccnc1CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	836256099	NLJAZBCIIYKWJI-HNNXBMFYSA-N	357.458	2.300	10	10	FECE	
Cc1cc(C)cc(-n2ncc(/C=C3/SC(N4CCOCC4)=NC3=O)n2)c1	901441648	CXFINFLAKLYLMB-MHWRWJLKSA-N	369.450	2.187	10	10	FECE	
COC(=O)C1CC2(C1)CN(Cc1c(O)cccc1Cl)C[C@@H]2C(=O)O	903694350	SQNLMBHGLJRFKB-JKIHBJTHSA-N	353.802	2.131	10	10	FECE	
COc1ccc(O)c(CNC(=O)Cc2sc(-c3ccn(C)n3)nc2C)c1	901129197	AYRJMJPOVZRYQB-UHFFFAOYSA-N	372.450	2.425	10	10	FECE	
Cc1ncc(CN2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)s1	588406519	OWMUVJPTWHDOTK-HYXAFXHYSA-N	359.451	2.220	10	10	FECE	
CNC(=O)Nc1cccc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	912292028	HEHDEYUEDNJWCI-MRXNPFEDSA-N	368.437	2.455	10	10	FECE	
CNC(=O)c1cccc(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	854241239	JMDWQYLKWKSLTL-INIZCTEOSA-N	368.437	2.455	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H](O)CCc3ccccc3)C2)cc1	855232966	CYRJYTLUWSIDOK-FXAWDEMLSA-N	354.450	2.384	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(CO[C@H]2CCNC2)CC1	861583416	UHVIFCOZRKDJQR-FQEVSTJZSA-N	374.529	2.361	10	10	FECE	
COC(=O)[C@@H](C[C@H]1CCCOC1)NCc1cc(Cl)cc([N+](=O)[O-])c1O	862516663	WPENEWSLPCWHBQ-ZWNOBZJWSA-N	372.805	2.402	10	10	FECE	
Cc1cc(CCNC(=O)NC[C@]2(O)CCN(C)C2)c(C)n1-c1ccccc1	762996165	NCZTYSUWZCNERG-OAQYLSRUSA-N	370.497	2.002	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3C[C@@H]4CCC[C@]4(CO)C3)C2)cc1	875679716	QDYYLOVOQKJXBW-LLGFUMIMSA-N	373.497	2.326	10	10	FECE	
C[C@@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)c1ccc(N(C)C)cc1	772995485	BRVOEZPMTBFLHA-MRXNPFEDSA-N	367.497	2.390	10	10	FECE	
Cc1cc(C(=O)CN2CCN(CCO)[C@@H](C)C2)c(C)n1-c1ccccc1	778356412	NMUVYLHKFQWAKY-KRWDZBQOSA-N	355.482	2.275	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CCN(C(C)C)C(=O)C2)c1O	779881388	IEZFFPBVHKCRBY-UHFFFAOYSA-N	356.422	2.385	10	10	FECE	
COC(=O)c1sccc1C(=O)NCc1ccc(N2CCOCC2)cc1	1123508929	CSNHKXKICQVHCP-UHFFFAOYSA-N	360.435	2.301	10	10	FECE	
CCC(=O)N1CC[C@H](NCc2c(C(=O)OC)n(C)c3ccc(F)cc23)C1	894332745	QQWZGSUNMWBWNQ-ZDUSSCGKSA-N	361.417	2.205	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNc3ccc([N+](=O)[O-])nc3)cc2)CC1	786076315	ZZQKMKGEYLIORP-UHFFFAOYSA-N	355.398	2.270	10	10	FECE	
CCOC(=O)[C@@H](C[C@@H]1CCCO1)NCc1ccc(N2CCOCC2)cc1	895866216	WZOFQPZVXLURNE-RBUKOAKNSA-N	362.470	2.114	10	10	FECE	
CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ccc(O)c(OC)c2)c1C	797820435	XPIIDETWFZQQPX-UHFFFAOYSA-N	368.411	2.323	10	10	FECE	
Cc1cc(F)ccc1-n1cc(O)c(C(=O)NCc2ccc(O)cc2O)n1	1162278932	NXKXGQCXRMLDQN-UHFFFAOYSA-N	357.341	2.367	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)NC[C@@]3(O)CCOC3)c2C)c1	1254075409	ZJXKSOVDPGFVHZ-FQEVSTJZSA-N	357.454	2.353	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H]1C[C@H]2C=C[C@H]1CC2	1335800601	RFXDBCQJYOWCSO-IEZWGBDMSA-N	351.450	2.150	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC1C[C@@H]2CC[C@H](C1)S2	1354594441	KRGXPIIELVELSK-ZXFUBFMLSA-N	361.511	2.220	10	10	FECE	
Cc1ccc(C(=O)Nc2cn3cc(Br)ncc3n2)c(O)c1O	1448103744	WCYYIFPLPDMJAC-UHFFFAOYSA-N	363.171	2.464	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)C(F)F)C2)cc1	1290081940	SETBOKYWWRDSFZ-JOYOIKCWSA-N	367.356	2.129	10	10	FECE	
Cc1nnc(N(C)[C@H]2CCSC2)n1Cc1ccc(N2CCOCC2)cc1	1511765209	APBWXBTVHDAXMW-SFHVURJKSA-N	373.526	2.413	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1	1536551202	YLJRLHMBJFGOAC-LIRRHRJNSA-N	369.469	2.035	10	10	FECE	
COC[C@@H]1CCN(c2nnc(C)n2Cc2ccc3c(c2)CCCN3C)C1	1619707128	MOGNKXJJELKDFM-QGZVFWFLSA-N	355.486	2.490	10	10	FECE	
COc1ccc(-n2cc(C(=O)N[C@H](C)c3cc(OC)ccc3O)nn2)cc1	1630373423	QFCWSZVDMZUNRH-GFCCVEGCSA-N	368.393	2.481	10	10	FECE	
Cc1ccc(F)c(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1	1569158473	WWJHTVUZPASJPM-UHFFFAOYSA-N	366.414	2.184	10	10	FECE	
C[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H]1CN(Cc2ccccc2)CCO1	1565905865	CSJLSBGUJJWKSC-MGPUTAFESA-N	370.449	2.046	10	10	FECE	
COc1c[nH]c(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1=O	1641972260	PUGUTWPJEZNWFO-UHFFFAOYSA-N	361.361	2.346	10	10	FECE	
COc1nsc(C(=O)NCc2cc(O)ccc2O)c1Br	1644753705	GIMKAHZFKZVGGO-UHFFFAOYSA-N	359.201	2.255	10	10	FECE	
CNC(=O)COc1cccc(CC(=O)NCc2cccc(Cl)c2O)c1	1653567088	JVQMTIUUXUZNPK-UHFFFAOYSA-N	362.813	2.029	10	10	FECE	
CC[C@@H]1SC(=S)N(CC(=O)Nc2ccc(NC(C)=O)cc2)C1=O	11635628	JYVDFJWKJNILCM-LBPRGKRZSA-N	351.453	2.222	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COCC[C@]1(Sc1nccs1)C(=O)O	1904757833	RZUOMJYSIDKKGZ-YMTOWFKASA-N	360.457	2.372	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@H](n2ccc(C(=O)NCCN=[N+]=[N-])n2)C1	2140410712	WHOFEMAZDQALMK-GFCCVEGCSA-N	363.422	2.495	10	10	FECE	
COCC[C@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CCCN1C(=O)OC(C)(C)C	2137439928	KMWQSTAYMYJCAQ-NJSLBKSFSA-N	368.474	2.058	10	10	FECE	
COC(=O)[C@@H](CCNCc1cccc(C)c1O)NC(=O)OC(C)(C)C	2028196634	WDUWASJLFMSSHR-CQSZACIVSA-N	352.431	2.247	10	10	FECE	
Cc1nc(I)c(N)c(OCc2ccc(N)cc2)n1	2064777684	HHCAXOYJHHUCDI-UHFFFAOYSA-N	356.167	2.133	10	10	FECE	
CC(C)(C)OC(=O)NCCCn1cnc(C(=O)NCCCN=[N+]=[N-])c1	2218276925	VGQDTJQZKXBAPN-UHFFFAOYSA-N	351.411	2.228	10	10	FECE	
COc1ccc(N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)cc1OC	2219641904	YENOXOYEVNQEHS-ZIAGYGMSSA-N	352.431	2.168	10	10	FECE	
CC(C)(C)OC(=O)NC1CN(C2CCN(Cc3ccc(N)cc3)CC2)C1	2225126895	SGMNYRXJLLAADT-UHFFFAOYSA-N	360.502	2.442	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CP(C)(C)=O)C(=O)N1CC[C@@H](N=[N+]=[N-])C1	2299097993	AIZAWOPRKLLRAJ-GHMZBOCLSA-N	359.367	2.414	10	10	FECE	
O=C1C(=Cc2ccc(O)cc2)SC(=S)N1CCCN1CCOCC1	2323702412	AVCCFDSNSBBSLF-UHFFFAOYSA-N	364.492	2.316	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1N(CC(=O)Nc1ccc(N)cc1)C2	2331523956	BZFPBDDQJGQMMB-SRCQZFHVSA-N	360.458	2.195	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCc2cc(F)ccc2F)c1	177426203	UJZAWZGTLKXNQG-UHFFFAOYSA-N	370.377	2.014	10	10	FECE	
C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1cc([N+](=O)[O-])ccc1O	173295905	YCSRYTSWHXSPDO-NSHDSACASA-N	365.411	2.141	10	10	FECE	
Nc1ccc(N(C(=O)c2ccc(S(N)(=O)=O)o2)c2ccccc2)cc1	170225627	RQMMUPJMAFAFOR-UHFFFAOYSA-N	357.391	2.488	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)c1	181696673	DVYRVPHOEHJHCK-QWHCGFSZSA-N	373.457	2.491	10	10	FECE	
CN1CCC[C@H](CN(C)C(=O)/C=C\c2ccc(N3CCOCC3)cc2)C1	255421354	GLXNOYBSCNTHSZ-KWEPMOPPSA-N	357.498	2.337	10	10	FECE	
CN1CCC(CN(C)C(=O)/C=C\c2ccc(N3CCOCC3)cc2)CC1	255833191	VRXKPRWJKJKAEQ-YVMONPNESA-N	357.498	2.337	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)NCc3nc(COC)n[nH]3)ccc21	617936967	AGWXDVKQLFECQA-UHFFFAOYSA-N	371.441	2.099	10	10	FECE	
CN1CCCc2cc(CNC(=O)[C@]3(N)[C@H]4CCCO[C@@H]4C3(C)C)ccc21	364200777	LAKWHVGKKVKTBH-DJPFJPOOSA-N	357.498	2.218	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)c3cccnc3C(N)=O)cc2)CC1	278386060	BDEVXXLIFXITBY-UHFFFAOYSA-N	352.438	2.347	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)N[C@H]3C[C@@H]3C(F)F)cc2F)CC1	806014629	BXEBOCBSTSADGE-ZFWWWQNUSA-N	370.419	2.420	10	10	FECE	
CC[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1nccs1	807258100	YSKQEPCXAGLMOU-MRXNPFEDSA-N	370.478	2.403	10	10	FECE	
C[C@H](NC(=O)[C@H]1CCCC12OCCO2)c1ccc(N2CCOCC2)cc1	806614184	MJWZJRPHHCFCMK-MAUKXSAKSA-N	360.454	2.244	10	10	FECE	
CCCCN(C(=O)C(N)=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	585668589	XLHFSWCBZSCZHJ-UHFFFAOYSA-N	350.374	2.080	10	10	FECE	
Cc1cc(/C=C\C(=O)NCCNC(=O)N(C)C)c(C)n1-c1ccccc1	588391397	UTHYDVPBXIUBCG-KHPPLWFESA-N	354.454	2.495	10	10	FECE	
CN(C)c1ccc(/C=C\CNC[C@@H]2CCC[C@H]2NS(C)(=O)=O)cc1	835044760	OYMLCTHYVZTDSL-BGYNLAARSA-N	351.516	2.073	10	10	FECE	
Cc1nccnc1C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	831560581	CBYRFGLVABMXDJ-UHFFFAOYSA-N	365.481	2.247	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](CC)[C@@H]3CCCCO3)nc12	847080598	PKVGTDPUZISFNL-CABCVRRESA-N	362.430	2.049	10	10	FECE	
COC(OC)[C@H](C)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	923676660	UEYMPBZWSOOMMR-ZFWWWQNUSA-N	352.431	2.090	10	10	FECE	
CN(C)[C@H]1CCc2ccccc2N(S(=O)(=O)c2cccc3nonc23)C1	857901779	NBKVWMLTTKBVKR-AWEZNQCLSA-N	372.450	2.295	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CCC(=O)c3ccccn3)C2)cc1	855227984	SPWKKHRYRLSIGH-OAHLLOKOSA-N	353.422	2.448	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc4cncn4c3)C2)cc1	852377353	GBWIYLZQSPXMEJ-INIZCTEOSA-N	365.437	2.421	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N(C)CCN3CCCCC3)C2)cc1	854296337	IIYCHYYBPGHDLG-QGZVFWFLSA-N	360.502	2.401	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H](CCO)CC3)C2)cc1	854296613	FCQBBEHITLJTPG-SJORKVTESA-N	361.486	2.468	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)/C=C\c1ccc(S(C)(=O)=O)o1	859421201	PSLHWLKENKZPMG-CLFYSBASSA-N	362.451	2.387	10	10	FECE	
Cc1cn(CC(=O)OCC(=O)c2ccc(O)c(O)c2)nc1C(F)(F)F	860335807	UAZADXPIFQZPPX-UHFFFAOYSA-N	358.272	2.048	10	10	FECE	
C[C@H](NC(=O)NCc1cccnc1N1CCN(C)CC1)c1ccccc1O	868153823	ACUPLLXFEJPJLO-HNNXBMFYSA-N	369.469	2.099	10	10	FECE	
COc1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)nn1C	784105572	FBVUPFDBXHSIMR-UHFFFAOYSA-N	371.441	2.173	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnn4c(OC)cccc34)CC2)cc1	895443321	DTEINDAONHOSTG-UHFFFAOYSA-N	366.421	2.314	10	10	FECE	
O=S(=O)(C[C@H]1CCCOC1)NCc1cc(Br)ccc1O	796190531	IMOGLYRSDBGNFN-JTQLQIEISA-N	364.261	2.001	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCCCc1cnn(C)n1	1228830054	RUYGPWBPOQQFSC-UHFFFAOYSA-N	356.474	2.190	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)N(CC)[C@H]2CCCOC2)cc1	1328902304	YTWQFXCAJYRUQB-SFHVURJKSA-N	361.486	2.177	10	10	FECE	
Nc1ccc(CCNC(=O)C(=O)N[C@@H]2[C@H]3Cc4c(Cl)cccc4[C@@H]32)cc1	1331606214	SPCPRZYTSMWVKS-RYQLBKOJSA-N	369.852	2.035	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCO[C@@H]1c1ccnn1C	1615273482	NBCOGGYTIZJURI-KXBFYZLASA-N	370.453	2.379	10	10	FECE	
CCOc1ccc(N2C[C@H](C(=O)NCc3cc(O)ccc3O)CC2=O)cc1	1637122680	MWJLEYFDOPUNQU-CQSZACIVSA-N	370.405	2.166	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1ccn(-c2ccccc2[N+](=O)[O-])n1	1637126449	ZBJGEOHBLDVKPX-UHFFFAOYSA-N	354.322	2.122	10	10	FECE	
CC(C)CNC(=O)N1CCC[C@H](CC(=O)NCc2c(O)cccc2O)C1	1635847331	LYONNWBYJDTERF-CQSZACIVSA-N	363.458	2.182	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2[C@H]3C[C@@H]4CO[C@H]2[C@H]4C3)cc1	1675198855	XLVXIOMBSBYFGR-ITOHMHRPSA-N	359.470	2.196	10	10	FECE	
COCc1nn(CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c(=O)o1	164417065	NASNXUHIAUAWOW-UHFFFAOYSA-N	359.357	2.412	10	10	FECE	
Cc1cc(/C=C2/SC(=S)N([C@H](C(=O)O)[C@H](C)O)C2=O)ccc1F	1858595427	BGQCMIOJYAXTMR-CRFMYBAKSA-N	355.412	2.169	10	10	FECE	
CN1C(=O)Cc2cc([C@H]3CN(CCOc4ccc(N)cc4)C(=O)O3)ccc21	585908732	ZPWGCXXMBLGWLT-GOSISDBHSA-N	367.405	2.360	10	10	FECE	
O=C(OCc1ccccc1)N1CC[C@@](C(=O)O)(c2ccc(O)c(O)c2)C1	1951733847	LGFVLTBYTZDNII-IBGZPJMESA-N	357.362	2.463	10	10	FECE	
Nc1ccc(O)c(CNS(=O)(=O)c2ccc(Br)s2)c1	36742779	CSYZZBYSAJLWFD-UHFFFAOYSA-N	363.258	2.277	10	10	FECE	
C[C@H](O)c1ccc(N2C[C@@H]3[C@H](CCS3(=O)=O)C2)cc1Br	2145047619	GJQNPQORTDYJFF-IMSIIYSGSA-N	360.273	2.126	10	10	FECE	
O=C1CC(=O)N[C@@](c2ccc(N3CCOCC3)cc2)(c2ccsc2)C1	2069386072	IZVCVGFBUPOAFX-IBGZPJMESA-N	356.447	2.307	10	10	FECE	
COC(=O)[C@](C)(O)CN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1	2044511952	PBEVIOCGOLNHEX-GOSISDBHSA-N	352.431	2.072	10	10	FECE	
CC(C)(C)OC(=O)NCc1cc(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)no1	2060618233	WVTMNYRHNRZKSI-SNVBAGLBSA-N	350.379	2.472	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CO1	2060610054	CSEKHLMVFLYJAR-AVGNSLFASA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N2CCC[C@H](N=[N+]=[N-])C2)C1	2060635986	RXYKZDRFOHQDOG-LBPRGKRZSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2060609285	UBFAXYCFDIFBRR-MLGOLLRUSA-N	353.423	2.050	10	10	FECE	
CN(C[C@@]1(Br)CC1(F)F)C(=O)c1cc(O)c(O)c(O)c1	2202538888	WXMTWJADEIZKPE-NSHDSACASA-N	352.131	2.048	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1c1ccc2c(c1)OC(F)(F)O2	2226701374	PQEJMYXMZJVUSN-NWDGAFQWSA-N	372.368	2.472	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NCCCCN=[N+]=[N-])CO[C@H]1C2	2254831949	ROMFUPLGNBIZTM-WQGACYEGSA-N	353.423	2.265	10	10	FECE	
COc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(C)C3=O)c2C)cc1	2293497319	XBJLUXWNEIOVLI-UHFFFAOYSA-N	369.446	2.359	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)NC[C@@H](c1cccs1)N1CCOCC1	2307981913	CXSCVPJPDWNYIL-HNNXBMFYSA-N	374.462	2.362	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1[C@H]2CCC[C@H]2[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1	2309639014	FUFSSPXQNNYBEV-AATNOEDMSA-N	350.459	2.191	10	10	FECE	
CN(C)c1ccc(CNC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)cc1	104770768	OVDRTNGJPYEPBM-INIZCTEOSA-N	372.444	2.035	10	10	FECE	
COc1cc(OC)cc(C(=O)NC2=N[C@@H](c3ccc(C)cc3)CC(=O)N2)c1	20924276	QXDUZXZXWCCADO-QGZVFWFLSA-N	367.405	2.359	10	10	FECE	
Cc1nc(-c2cccc(NC(=O)C(=O)N(C)Cc3ccccc3O)c2)no1	64604056	WIMIEJQNEHIAIA-UHFFFAOYSA-N	366.377	2.348	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CC[C@](O)(C(F)(F)F)C2)c([N+](=O)[O-])c1	266054864	XZADMOPBMWRMLQ-LYKUJDHUSA-N	360.288	2.285	10	10	FECE	
Cn1cncc1Cc1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1	546550844	AWNIDBCAYXHYRJ-UHFFFAOYSA-N	365.418	2.277	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)C(=O)N(C)C[C@@H]3CCCO3)cc2)CC1	288279934	UYYTWASIEHECHN-IBGZPJMESA-N	373.497	2.177	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)Nc2cc(OC)n(C)n2)CCCC1	649936847	KIHPJCWSNIYDJV-UHFFFAOYSA-N	368.437	2.910	10	10	FECE	
CS(=O)(=O)[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@H]1C(F)(F)F	826893688	AAFYEKSEKKYDOR-ZYHUDNBSSA-N	357.781	2.453	10	10	FECE	
O=C(O)c1cc(NS(=O)(=O)CCCOCc2ccccc2)ccc1O	385361371	KABQKJZFRVKMTJ-UHFFFAOYSA-N	365.407	2.439	10	10	FECE	
C[C@@H](COC1CCCC1)CS(=O)(=O)Nc1ccc(O)c(C(=O)O)c1	844782712	FKIQGRHBYHJRQB-NSHDSACASA-N	357.428	2.427	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(c2nc(O)n[nH]2)CC1	914180021	BOCCKUKSTGFWTR-UHFFFAOYSA-N	370.457	2.200	10	10	FECE	
COc1cc(N2CCN(C[C@@H](N)CC(C)C)CC2)cc(OC)c1OC	841022249	RARFYXJRJRISGM-HNNXBMFYSA-N	351.491	2.208	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3cscc3C)C2)cc1	850537035	MMVWBGOTEZHVOZ-ZDUSSCGKSA-N	359.451	2.399	10	10	FECE	
C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CC(F)(F)C1	862279092	LRMDPFIHWZCWFR-CYBMUJFWSA-N	358.454	2.445	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@]12CCC[C@H]1OCC2	866213162	MTEDYXBDLJMZTA-QUCCMNQESA-N	362.445	2.362	10	10	FECE	
Cn1nc2c(c1/C=C1\SC(=S)N(CCCC(=O)O)C1=O)CCCC2	864362680	IWDSBEIQPZAZEX-LCYFTJDESA-N	365.480	2.365	10	10	FECE	
CN1CCCc2cc(CNC(=O)C(=O)N[C@H]3CCCC(F)(F)C3)ccc21	1117431480	YYMQAMZZBNGSMB-HNNXBMFYSA-N	365.424	2.379	10	10	FECE	
O=C([C@@H](c1ccccc1)N1CCC(O)CC1)N1Cc2cccc(O)c2C1	871202767	FNSBGXTYSPGFOX-HXUWFJFHSA-N	352.434	2.432	10	10	FECE	
COc1ccc(N2CCN(CCN[C@H]3CCCc4n[nH]cc43)CC2)cc1	796724972	AEVYQODXUALZSK-IBGZPJMESA-N	355.486	2.208	10	10	FECE	
COc1cc(NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)ccc1O	797819442	JJJGXNKSMCVRRA-UHFFFAOYSA-N	366.395	2.169	10	10	FECE	
COc1cc(Cl)cc(CNC2(CNC(=O)OC(C)(C)C)COC2)c1O	705615198	MOPGTICBUWXWBY-UHFFFAOYSA-N	372.849	2.438	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2CC(C)(C)CO2)N(C)C)cc1	1248448447	HPWHQJPARODIII-MSOLQXFVSA-N	362.518	2.470	10	10	FECE	
Cc1cc(C(=O)N2CCS(=O)(=O)CCO2)c(C)n1-c1ccc(F)cc1	1353389179	BKXSGASVQVRPAA-UHFFFAOYSA-N	366.414	2.035	10	10	FECE	
C[C@H](O)C(C)(C)CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	1519419996	IQZCFAGBRDSKLK-LBPRGKRZSA-N	371.428	2.008	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(C2CC(=O)NC(=O)C2)c1	1450031458	OPIVQAFISYCKFS-ALCCZGGFSA-N	366.373	2.270	10	10	FECE	
O=C(NCc1ccc(O)cc1O)C1=NN(c2ccc(F)cc2)C(=O)CC1	1469164411	ZRTMCCFKJCYVKG-UHFFFAOYSA-N	357.341	2.036	10	10	FECE	
C[C@H]1C[C@@H]1n1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1O	1612703700	INQASEVKVOLZAX-ZFWWWQNUSA-N	355.442	2.437	10	10	FECE	
Oc1ccccc1CN[C@@H]1[C@H]2CO[C@@H](O2)[C@H](Sc2ccccc2)[C@H]1O	1614586032	AGUBEXLUYDPTRA-FQBWVUSXSA-N	359.447	2.127	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)NCC(C)(CO)CO)c2C)c1	1479100051	RWXRLIDDVYZAOJ-UHFFFAOYSA-N	359.470	2.193	10	10	FECE	
CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)/C=C/c1ccc(O)c(O)c1	1639667728	OROZZKUFRYLASR-SYJIQKIWSA-N	366.417	2.201	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2C[C@@]2(F)c2ccccc2)c1	1638608444	WNWPMTZEXRIESC-DOTOQJQBSA-N	364.398	2.131	10	10	FECE	
CCCCN1C(=O)c2ccc(C(=O)NCc3ccc(O)cc3O)cc2C1=O	1630297030	VZJKNPKPSQLTTD-UHFFFAOYSA-N	368.389	2.424	10	10	FECE	
CC(C)(C)OC(=O)NC1CC(C)(C(=O)NCCc2ccc(O)c(O)c2)C1	2124267500	IDIZAOYRAXNGJI-UHFFFAOYSA-N	364.442	2.450	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3[C@H](C)O[C@@H](C)[C@@H]3C)CC2)c(OC)c1	1595996459	DIHNAEOIEINJKA-XLPNERPQSA-N	362.470	2.412	10	10	FECE	
COc1cc(Br)c(N)c(C(=O)NCc2cccc(O)c2O)c1	1593744652	QRQBJASIFMTZIK-UHFFFAOYSA-N	367.199	2.381	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](CO)(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)C1	2124544044	ZIZRRPSFJVZFND-CXAGYDPISA-N	367.450	2.155	10	10	FECE	
CCOc1cc(/C=C2\SC(=S)N(NC(C)=O)C2=O)ccc1OC	16044603	JUANDEWPYARCLE-JYRVWZFOSA-N	352.437	2.346	10	10	FECE	
CCS(=O)(=O)Nc1sc2c(c1C(=O)NCCCOC)CCCC2	1871343059	ZXFKSHXTYOKHQS-UHFFFAOYSA-N	360.501	2.155	10	10	FECE	
CO[C@@H]1C[C@@H](NCc2cc(Cl)cc(Br)c2O)C[C@H]1O	2130805271	QEWLDOOSCISLAB-MVWJERBFSA-N	350.640	2.436	10	10	FECE	
COc1ccc(O)c([C@@H](C)NCC2(NC(=O)OC(C)(C)C)COC2)c1	1967533739	MULMFCWRKHKKEY-GFCCVEGCSA-N	352.431	2.345	10	10	FECE	
C[C@@H](N)c1ccc(N2CC[C@H]3CS(=O)(=O)C[C@H]32)c(Br)c1	2151276213	RQQOOYLATXGBDR-OLUVUFQESA-N	359.289	2.092	10	10	FECE	
C[C@H]1C[C@H](CNC(=O)c2cccc(O)c2O)CN1C(=O)OC(C)(C)C	2054420356	RUYCVQWXVLYSII-NWDGAFQWSA-N	350.415	2.473	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])CO1	2060610378	HEVRUBPMKLBTKL-XQQFMLRXSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C1	2063391206	MWQHWNZNAIMWQT-BLLLJJGKSA-N	353.423	2.050	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4C[C@]4(CO)C3)ccc(N)c2C1	2090120160	VQBQDZBZLUDVKC-RNODOKPDSA-N	359.470	2.381	10	10	FECE	
CN(Cc1ccccc1)[C@H]1CCN(C[C@@H](O)COc2ccc(N)cc2)C1	2095871090	YLYAKUKFDSTFKO-VQTJNVASSA-N	355.482	2.215	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](O)(CCNC(=O)Nc2ccc(N)cc2)C1	2230135935	IRWFTGRJZYGOJY-SFHVURJKSA-N	364.446	2.152	10	10	FECE	
CC(C)(C)OC(=O)N1CCOCC[C@@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2257615934	NQZIZKIEGFVTLN-QWHCGFSZSA-N	353.423	2.314	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N1CCCN(C2CC2)CC1	2297505714	SPOYBGWIUIOXKK-UHFFFAOYSA-N	355.482	2.233	10	10	FECE	
CCn1c(/C(Cl)=C/c2cn(C)c(=O)n(C)c2=O)nc2cc(F)ccc21	66256052	KHTNEWQJHPCJEF-GHXNOFRVSA-N	362.792	2.330	10	10	FECE	
CO[C@](C)(CCNC(=O)OC(C)(C)C)[C@H](N)Cc1ccc(O)c(O)c1	1952846646	FMIJFACHVWKZNB-CRAIPNDOSA-N	354.447	2.288	10	10	FECE	
COc1cc(N2CCN(C[C@](C)(O)C(C)C)CC2)cc(OC)c1OC	187549664	WQXFBCFEGORRDY-IBGZPJMESA-N	352.475	2.241	10	10	FECE	
COC(=O)CCCC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	131603010	NZCKBKNCUFPGIM-UHFFFAOYSA-N	373.497	2.178	10	10	FECE	
C[C@H](CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1)CC1(C)OCCO1	255378887	DVDHRYYGIDRAAX-AFCDSYGPSA-N	374.481	2.442	10	10	FECE	
COc1ccc(N2CCN(CCNCc3ccnn3C(C)C)CC2)cc1	279815293	FZUHTJHAFLTZOX-UHFFFAOYSA-N	357.502	2.384	10	10	FECE	
CCc1[nH]nc(C(=O)NCc2cc(Br)ccc2O)c1[N+](=O)[O-]	804738496	SEEZHVMTKDHIPP-UHFFFAOYSA-N	369.175	2.278	10	10	FECE	
C[C@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccnn1C	817534306	JKNOYMIQWRTPCI-HNNXBMFYSA-N	356.470	2.049	10	10	FECE	
COc1ccc(N2CCN(CCCNC3CCC(CN)CC3)CC2)cc1	817896965	AMEUCMSPRGNEDQ-UHFFFAOYSA-N	360.546	2.314	10	10	FECE	
CCN(OC)C(=O)CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1	825956836	ARSHQEQBYOXFEW-UHFFFAOYSA-N	362.474	2.132	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@]2(C(=O)OC(C)(C)C)CCCO2)c1	901128000	SNYWVFDMOCEJQY-CWTRNNRKSA-N	365.426	2.469	10	10	FECE	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1ccnn1C	834514240	KUBKOFLSKQSVLY-UHFFFAOYSA-N	372.469	2.351	10	10	FECE	
O=C(CN1CCN(C2CC2)C1=O)N(Cc1ccco1)Cc1ccccc1O	830137428	NFAREMATSOHYNB-UHFFFAOYSA-N	369.421	2.414	10	10	FECE	
COC(C)(C)[C@@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	914242802	UTUJRELMZUZWHN-CYBMUJFWSA-N	367.465	2.400	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(-c2ncccn2)n1C[C@H]1CCCO1	841790630	HPTIGEQUYWYMIM-OAHLLOKOSA-N	366.425	2.256	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NC[C@H](C)S(C)(=O)=O)c1O	848535210	BMCDMGPMYQQERV-DTWKUNHWSA-N	366.277	2.247	10	10	FECE	
COC(=O)/C=C/c1ccc(N2C[C@@H](C(=O)OC)[C@H](C3CC3)C2)c([N+](=O)[O-])c1	845779502	IISDZAMAYJMZFF-VSWCJUERSA-N	374.393	2.416	10	10	FECE	
O=C(N=c1cc[nH]cc1)c1cccc(CNC(=O)c2cc(O)cs2)c1	748312718	CJGVNSCXDACRRL-UHFFFAOYSA-N	353.403	2.453	10	10	FECE	
Cc1cc(CC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)on1	845913721	VQIZHWZHMXPBSR-UHFFFAOYSA-N	368.481	2.374	10	10	FECE	
Cc1cc(C(=O)NCCN(C)CCCN(C)C)c(C)n1-c1ccccn1	855417205	VFWDYASMBKCRRB-UHFFFAOYSA-N	357.502	2.102	10	10	FECE	
Cc1cc(C(=O)N2CC[C@H](Cn3ccnn3)C2)c(C)n1-c1ccccn1	855240396	PUQMSKQBUBWQMP-INIZCTEOSA-N	350.426	2.243	10	10	FECE	
COc1ccc(N2CCN(C(=O)NC[C@@H]3CCOC3(C)C)CC2)cc1F	852686889	NOYVRWZVAQHOND-AWEZNQCLSA-N	365.449	2.481	10	10	FECE	
O=C(NCc1c(O)cccc1F)NC[C@H]1CCC2(CCOCC2)CO1	924001860	YFTJGUIHUUKGJF-CYBMUJFWSA-N	352.406	2.306	10	10	FECE	
COCC[C@H]1CCCCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1	785434358	STERHXWVMCTAMD-QGZVFWFLSA-N	361.486	2.034	10	10	FECE	
C[C@H](O)c1ccc(N(C)[C@H](C)CS(C)(=O)=O)c(Br)c1	688602724	SHAXFQZLVIVNTM-ZJUUUORDSA-N	350.278	2.372	10	10	FECE	
COCCN(C(=O)OC(C)(C)C)[C@H](C(N)=O)c1ccc2c(c1)CCN2C	698397972	DHVWXAIHBVPYEZ-INIZCTEOSA-N	363.458	2.089	10	10	FECE	
C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	1963688346	RQEHCIXDPFNTEP-LRDDRELGSA-N	364.442	2.402	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCCC(F)(F)C2)cc1F	1345506328	OCTWIKHWDLSVHY-GFCCVEGCSA-N	357.376	2.202	10	10	FECE	
C[C@@H](NC(=O)[C@H]1CN(C(=O)C(C)(C)C)CCO1)c1ccc(N(C)C)cc1	1523203318	XEOMFYHUWNFHKP-RHSMWYFYSA-N	361.486	2.203	10	10	FECE	
O=C(COc1cccc(NC(=O)C2CC2)c1)NCc1cccc(O)c1O	1637034809	LJRITHRAWNMQOL-UHFFFAOYSA-N	356.378	2.142	10	10	FECE	
Cc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc([N+](=O)[O-])c1	1637525146	NOUMGZGUYBDGLR-UHFFFAOYSA-N	365.367	2.233	10	10	FECE	
COc1ccc(CNC(=O)/C=C\C(=O)NCc2c(O)cccc2F)cc1	1596916610	JVEKGFNOILXYLG-KTKRTIGZSA-N	358.369	2.029	10	10	FECE	
COC(=O)[C@@H]1CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C[C@@H](C)O1	157633996	WSQHYOUVCVZFEN-QAPCUYQASA-N	356.422	2.497	10	10	FECE	
CCOc1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)OC)c2)cc1	1859474529	LYNJWKIOKYTNPS-UHFFFAOYSA-N	351.380	2.378	10	10	FECE	
Cc1cc(=NC(=O)CNCc2cc(Cl)cc(Br)c2O)[nH]o1	1860721348	PDVHTOKBENJAKT-UHFFFAOYSA-N	374.622	2.255	10	10	FECE	
COc1cccc(O)c1CN[C@@]1(CO)CCCN(C(=O)OC(C)(C)C)C1	2133752492	BDYXCEVCEZUQMZ-IBGZPJMESA-N	366.458	2.252	10	10	FECE	
CCN[C@H](c1ccccc1O)[C@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	2136008500	JAZAADZNEZXSCM-GVDBMIGSSA-N	366.458	2.040	10	10	FECE	
C[C@H](O)CN(CCNCc1cc(F)cc(F)c1O)C(=O)OC(C)(C)C	708534841	FCFRLVTYZOEFLV-NSHDSACASA-N	360.401	2.378	10	10	FECE	
CN[C@H](c1ccc(N(C)C)cc1)[C@H](CN(C)C)NC(=O)OC(C)(C)C	2044748158	NMCNAELIOGJLEG-DLBZAZTESA-N	350.507	2.468	10	10	FECE	
CC(C)(C)OC(=O)N[C@@](C)(C(=O)N1CC[C@H](CN=[N+]=[N-])C1)C(C)(C)O	2060640534	WJLDUTVKDUBGJD-BZNIZROVSA-N	355.439	2.200	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc3c(c2)OCCO3)CC[C@@H]1CO	2226764506	HEHXLZLQGDRRIP-UKRRQHHQSA-N	364.442	2.170	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1cccnc1)C(=O)N1CC[C@@H](N=[N+]=[N-])C1	2229159638	FPLQKLDHQGJCIJ-KGLIPLIRSA-N	360.418	2.429	10	10	FECE	
Cc1ccc(C(=O)N2CCC(c3nnc4ccccn34)CC2)c(O)c1O	179394662	OOYCMYZCINXDQE-UHFFFAOYSA-N	352.394	2.469	10	10	FECE	
CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccccn2)SC1=S	34766095	ZOTRGBRZFLKMPB-MXBGMFSPSA-N	354.478	2.489	10	10	FECE	
O=C(Cc1cnn(Cc2ccccc2)c1)N1CCc2cc(O)c(O)cc2C1	2366906682	USVXTLBYKDYXMC-UHFFFAOYSA-N	363.417	2.470	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCn2ccnc21	81557871	JHLBVBBETYTZLA-OAHLLOKOSA-N	358.417	2.053	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc2cc[nH]c2c1	193479914	KBXGDQPSDRNEOH-LLVKDONJSA-N	353.378	2.265	10	10	FECE	
Cc1ccc(N(CC(C)C)C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c(C)c1	846300006	YQVKBLDKIVJFKX-CSKARUKUSA-N	369.465	2.403	10	10	FECE	
C[C@@H](NC(=O)N1CC[C@@H]2CNC[C@@H]2CC1)c1ccc(N2CCOCC2)cc1	841742348	WMHUEACOEHUKIK-QRQLOZEOSA-N	372.513	2.225	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCc2ccccc2[C@@H]1CN	844225054	WUFFOBFHENFFBE-NRFANRHFSA-N	366.509	2.269	10	10	FECE	
COc1cc(N(C)CC(=O)N2C[C@@H](C)OC(C)(C)C2)cc(OC)c1OC	929706405	BBOXBILYMDWRNQ-CYBMUJFWSA-N	366.458	2.175	10	10	FECE	
CC1(C)OC[C@H]2C[C@]21C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	854906219	QUJWBVVWKVMPAV-BFUOFWGJSA-N	366.408	2.233	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)CN3CCCC3)C2)cc1	852183289	JZVOJONYYGBMER-IRXDYDNUSA-N	360.502	2.305	10	10	FECE	
C[C@@H]1COC2(CCC2)CN1C(=O)NCc1ccc(N2CCOCC2)cc1	852004591	IKZALLNKYYFJFG-MRXNPFEDSA-N	359.470	2.376	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N[C@@H]3C[C@H](O)C34CCC4)CC2)cc1	853644024	ZWXXRQWNXKPSMW-MSOLQXFVSA-N	359.470	2.267	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cn(C[C@H]2CCOC2)nn1	862002247	OYFSGHAPGIQFJS-JKSUJKDBSA-N	371.485	2.050	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(C)cnc3F)cc2)CC1	867681174	RNOKVBMKFIRVLX-UHFFFAOYSA-N	370.428	2.128	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCn4cc(C)nc4C3)C2)cc1	862158411	GTEXHYXXJRHBJO-CVEARBPZSA-N	354.454	2.158	10	10	FECE	
COC(=O)CC[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)O1	874002134	SBTVRSKIJHWQKM-ZWKOTPCHSA-N	360.454	2.404	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)NC3CCC=CCC3)C2)cc1	1119499009	RJQKGZCZRXOTIY-INIZCTEOSA-N	371.481	2.253	10	10	FECE	
CCOCn1nc(C)c(C[C@H](C)C(=O)NCc2cccc(O)c2O)c1C	1123977627	KFODXYAJGZCEHV-LBPRGKRZSA-N	361.442	2.400	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnn(C)c1C(F)F	784029754	HHIFSADERLBUCD-UHFFFAOYSA-N	366.368	2.441	10	10	FECE	
CC[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@H]1CCCOC1	897865839	NJYKZEMXRDTQFR-ZVZYQTTQSA-N	361.486	2.251	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@H](O)c2cnc[nH]2)cc1	1177838348	XIRPUQMUBBDGEL-IBGZPJMESA-N	366.421	2.022	10	10	FECE	
O=C(CCc1nnc(C(F)F)o1)NCc1ccc(N2CCOCC2)cc1	1330303711	FTCCCXGHWHYBGY-UHFFFAOYSA-N	366.368	2.093	10	10	FECE	
O=C(NCC[C@@H]1CC[C@@H]2C[C@H]12)C(=O)NCc1ccc(N2CC=CC2)cc1	1332901177	CXRBRLZJYAKUAB-YQVWRLOYSA-N	353.466	2.231	10	10	FECE	
C[C@@H](NC(=O)C(=O)NCC(C)(C)C1CC1)c1ccc(N2CCOCC2)cc1	1334001934	WRZOCVOHBCURNN-OAHLLOKOSA-N	373.497	2.253	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CC[C@H]1[C@@H]1CCCOC1	1519473611	IPJLSBSSOICXFH-XLIONFOSSA-N	373.497	2.358	10	10	FECE	
CN(C)C(=O)/C=C/C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	1294161284	LTRUOKUSHVNAJV-LXKVQUBZSA-N	367.396	2.017	10	10	FECE	
COc1cncc(N2CCN(Cc3cc(F)cc(C(C)=O)c3O)CC2)c1	1473718543	MLTKPQOBJPEDAN-UHFFFAOYSA-N	359.401	2.460	10	10	FECE	
C#CCN(CCOC)c1nnc(CC)n1Cc1ccc(N(C)C)c(F)c1	1705629711	SHVLSWOOWRJOGV-UHFFFAOYSA-N	359.449	2.180	10	10	FECE	
COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	1629283398	ALDICQJLHVLZGH-HRHAQSILSA-N	373.327	2.311	10	10	FECE	
CCc1ccc(N2C[C@@H](C(=O)NCc3c(O)cccc3O)CC2=O)cc1	1558533883	MKDUIOQUTFQMLY-AWEZNQCLSA-N	354.406	2.330	10	10	FECE	
Cc1nc(-c2cccnc2)nc(O)c1CC(=O)NCc1c(O)cccc1F	1558454522	HZZKANRCWOPEQB-UHFFFAOYSA-N	368.368	2.256	10	10	FECE	
O=C(Cn1cnc2sccc2c1=O)NCc1ccc2cccnc2c1O	1638569814	NHZQVSRJACXYEH-UHFFFAOYSA-N	366.402	2.028	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cccc2nc(O)oc12	1638529861	YJORFYQEUBSWIE-UHFFFAOYSA-N	370.361	2.445	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)N(C)C)cc1	1647080510	GBWWDHROULUAHX-QGZVFWFLSA-N	372.425	2.399	10	10	FECE	
CCc1nnc(N(C)[C@@H]2CCOC2)n1Cc1ccc2c(c1)CCCN2C	1744535719	MILRBYWNKQYFGT-QGZVFWFLSA-N	355.486	2.496	10	10	FECE	
O=C(NCc1cccc(O)c1O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1	1593739538	PISJVKFNIHEHCJ-UHFFFAOYSA-N	354.322	2.122	10	10	FECE	
CN1C(=O)[C@H](NC(=O)NCc2cccc(Cl)c2O)Cc2ccccc21	1683781504	BRMOCVFVIBNLNS-CQSZACIVSA-N	359.813	2.433	10	10	FECE	
CC[C@@H]1C[C@H]1C(=O)NCCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1	1687642027	JIYVIFKDDROEAA-IUODEOHRSA-N	359.430	2.473	10	10	FECE	
COc1ccc(NC(=O)CCN2C(=O)[C@@H](C)SC2=S)c(OC)c1	11636006	YJNXAGPAQIISQE-SECBINFHSA-N	354.453	2.281	10	10	FECE	
NC(=O)C1(NCc2ccc(F)cc2O)CCN(Cc2ccccc2)CC1	2139878987	PRBVQHIOXUXXBJ-UHFFFAOYSA-N	357.429	2.141	10	10	FECE	
CC(C)(C)OC(=O)NCc1nnc(NC(=O)CCc2ccc(N)cc2)o1	2138786750	TUAAOHBTNYHUER-UHFFFAOYSA-N	361.402	2.248	10	10	FECE	
Cc1cccc(CNC(=O)[C@H]2COCCN(C(=O)OC(C)(C)C)C2)c1O	2139758942	FTVXYOFFSOBFOH-OAHLLOKOSA-N	364.442	2.200	10	10	FECE	
COc1ccc(CN[C@@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)c(O)c1	2031533423	UGUOCUPOLFWJKV-LSDHHAIUSA-N	352.431	2.173	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2060636786	BOYJJUPXQAUMQF-OLZOCXBDSA-N	353.423	2.218	10	10	FECE	
CO[C@H]1C[C@@H](C(=O)N(C)CCCN=[N+]=[N-])CN(C(=O)OC(C)(C)C)C1	2060634250	XFICDKPMMHTIQF-OLZOCXBDSA-N	355.439	2.417	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H](CCNCc2ccc(O)c(O)c2)C1	2060833663	NEFJDSSDMYQHGF-CQSZACIVSA-N	352.431	2.213	10	10	FECE	
C[C@H](NC[C@@H]1CN(C)CCN1C(=O)OC(C)(C)C)c1cc(O)ccc1O	2098264518	YTIIVRGZUAJCCL-UONOGXRCSA-N	365.474	2.300	10	10	FECE	
CC[C@@H](NC(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1)C(=O)O	27533049	WKPJSLLSRMWMPH-OYGDSYQHSA-N	364.448	2.111	10	10	FECE	
NC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(Cl)cc([N+](=O)[O-])c1O	119779560	SHBCQZJIYCWJBQ-OAHLLOKOSA-N	361.785	2.366	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCCN2CCOC)cc1	171903040	YVOOYFXSUATHDM-IBGZPJMESA-N	362.518	2.443	10	10	FECE	
O=C(C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1)N1CCCC1	122476236	RNGLTNKSWZPQTF-UHFFFAOYSA-N	357.498	2.358	10	10	FECE	
C[C@@H](Nc1cnn(CC(=O)NCCO)c1)c1ccc(Cl)c(Cl)c1O	186508363	GGFZPOSOISWIDF-SECBINFHSA-N	373.240	2.177	10	10	FECE	
O=S(=O)(c1cccs1)N1CCc2cc(N3CCOCC3)ccc21	41122172	KSHBGOJISFKSFD-UHFFFAOYSA-N	350.465	2.336	10	10	FECE	
CN(C)c1ccc(CN2C[C@H]3CN(C(=O)c4cscn4)C[C@H]3C2)cc1	96080973	FUEPBCXQIGVXAL-IYBDPMFKSA-N	356.495	2.413	10	10	FECE	
C[C@H](O)CN(CCNCc1ccc(N(C)C)cc1)C(=O)OC(C)(C)C	385460900	HOMCRTOIAISEPR-HNNXBMFYSA-N	351.491	2.460	10	10	FECE	
Cc1ccc(CNC[C@H]2CCCS(=O)(=O)C2)c(O)c1Br	2380800528	JBCLASJWRWQZFX-LLVKDONJSA-N	362.289	2.378	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC[C@@H]2CNC(=O)O2)C1	801321192	CSTOOGPZGPOLDP-AWEZNQCLSA-N	371.437	2.059	10	10	FECE	
C[C@H](NC(=O)C(=O)N1CC[C@H](c2ccccn2)C1)c1ccc(N(C)C)cc1	807674607	NSIFZPCQKMDDBR-RDJZCZTQSA-N	366.465	2.341	10	10	FECE	
Cn1c(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])cnc1CNC(=O)OC(C)(C)C	2225793108	SREPMNAWEWFSAO-GHMZBOCLSA-N	363.422	2.406	10	10	FECE	
O=C(COc1ccccc1NC[C@H](O)CC1CCCC1)N1CCOCC1	819455294	OSCRRZNCDIYTAQ-QGZVFWFLSA-N	362.470	2.277	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCC(C2(O)CC2)CC1	823520146	USVAMDVUCNNPRW-UHFFFAOYSA-N	373.497	2.094	10	10	FECE	
COCC1(CCNC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)CC1	827184336	ZWLIVZMMTSRVTR-UHFFFAOYSA-N	365.449	2.483	10	10	FECE	
C[C@H](CS(C)(=O)=O)N(C(=O)c1cc2cc(O)c(O)cc2s1)C1CC1	900708451	TXYKMZSWFJUJBC-SECBINFHSA-N	369.464	2.350	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCOc3ccccc3[C@@H]2C(=O)O)cc1	908759030	WJKFLOASYRFZQQ-GOSISDBHSA-N	369.421	2.483	10	10	FECE	
COC(=O)[C@H](NCc1cc(OC)cc(C(C)(C)C)c1O)c1ccn(C)n1	825659255	WPVPOBFFVWNYDW-MRXNPFEDSA-N	361.442	2.436	10	10	FECE	
C[C@](CCF)(NC(=O)NCc1ccc(N2CCSCC2)cc1)C(=O)O	908852594	WQZAPBRTHYQDDD-QGZVFWFLSA-N	369.462	2.242	10	10	FECE	
C[C@H](Cc1cnn(C)c1)NC(=O)NCc1cc(Br)ccc1O	836632564	NSWRIQDYMOBAHQ-SNVBAGLBSA-N	367.247	2.319	10	10	FECE	
CSC[C@H]1NC(=O)N(Cc2ccc(N3CCSCC3)cc2)C1=O	904149762	CHHXNQRWTQWPNI-CQSZACIVSA-N	351.497	2.023	10	10	FECE	
CC[C@@H](C)NC(=O)CN1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1	835026307	UQJNPKFHMNHTNY-IPLHWJFFSA-N	358.530	2.298	10	10	FECE	
Nc1ccc(Cc2nc(C(=O)OC[C@@H]3CN(C4CC4)C(=O)O3)cs2)cc1	845144601	PIQHDOMTDABSHZ-AWEZNQCLSA-N	373.434	2.456	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)c3c[nH]ccc3=N)cc2F)C[C@@H](C)O1	844172177	AOUXARMVWWSGPM-CHWSQXEVSA-N	358.417	2.177	10	10	FECE	
C[C@H](NCc1ccc(S(N)(=O)=O)cc1F)c1ccc(N(C)C)cc1	842699225	JXSOSWYGPOKLDU-LBPRGKRZSA-N	351.447	2.390	10	10	FECE	
O=C(O)c1cnn2c(O)cc(CN3CCc4sc(Cl)cc4C3)nc12	846260436	HZHWECBDTDOQHP-UHFFFAOYSA-N	364.814	2.406	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)c3cn(C4CCC4)nn3)C2)cc1	843608042	KGRKSICCJCJOEF-AWEZNQCLSA-N	355.442	2.268	10	10	FECE	
C[C@@H](NC(=O)Nc1ccc(=O)n(C)c1)c1ccc(N2CCOCC2)cc1	920940842	FMZZVWLWKGOEEU-CQSZACIVSA-N	356.426	2.105	10	10	FECE	
CO[C@@H]1CCC[C@H]([C@@H](CO)NC(=O)NCc2ccc(N(C)C)cc2C)C1	853748780	IZIBZUVTXRXFTM-KFKAGJAMSA-N	363.502	2.426	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN(C)C[C@H]3CC=CCC3)CC2)cc1	754270647	NYBTVRXCOMQCMN-FPOVZHCZSA-N	373.541	2.466	10	10	FECE	
CN1C[C@H](CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1=O	924754692	UWLMITLZAVTUGW-SECBINFHSA-N	360.241	2.367	10	10	FECE	
Cc1cc(C(=O)CN2CCC(O)(CO)CC2)c(C)n1-c1ccc(F)cc1	852499225	CRZLMWFUTGBSEV-UHFFFAOYSA-N	360.429	2.235	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3C[C@H](C)n4ncnc43)C2)cc1	852386411	FHGIUXGYDZYVCW-VBQJREDUSA-N	370.457	2.118	10	10	FECE	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cn(C)nc2C(C)(C)C)c1	866841762	MEPWUNQITPEKMY-LLVKDONJSA-N	367.471	2.471	10	10	FECE	
CO[C@](C)(CO)CNC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1	862139852	NJLXROREXIRZPW-FQEVSTJZSA-N	358.438	2.342	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CCCOC3CCOCC3)C2)cc1	869232283	ZSZHMLHSTPVQNN-MRXNPFEDSA-N	362.470	2.366	10	10	FECE	
CC(C)(NS(C)(=O)=O)c1noc(-c2ccc(-n3cccc3)c(F)c2)n1	763359379	UXEIBOZCBZGQPO-UHFFFAOYSA-N	364.402	2.451	10	10	FECE	
CCN(CC)c1ccc(CNS(=O)(=O)c2cnc3n2CCC3)cc1F	772658645	XIAHELVKRDWUHG-UHFFFAOYSA-N	366.462	2.293	10	10	FECE	
OCCOCC1(O)CCN(Cc2cc(-c3ccccc3)ccc2O)CC1	895827835	QDKJOYKPNUOHLK-UHFFFAOYSA-N	357.450	2.395	10	10	FECE	
CCN1C[C@H](NC(=O)Cn2c3c(c4cc(OC)ccc42)CCCC3)CC1=O	1141272108	VBZWJEHLEXBAEA-CQSZACIVSA-N	369.465	2.266	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)NCc2cc(O)ccc2O)C1	1153888568	HKZFZWZQNUUAHS-DJJJIMSYSA-N	362.426	2.361	10	10	FECE	
CC[C@@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)N1CCO[C@H](CC)C1	1150543571	PUPVEHFLSJZZGM-CPUCHLNUSA-N	350.459	2.467	10	10	FECE	
CNc1ccc(C(=O)N2CCN(c3ccc(OC)cc3OC)CC2)nc1	1150480566	SLWIUXGIIINCHX-UHFFFAOYSA-N	356.426	2.103	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2ccc(Cn3ccnn3)cc2)cc1F	1519266500	VOASDOJPRDCLED-UHFFFAOYSA-N	353.401	2.462	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)c2cnc3c(c2)NC(=O)CS3)c1	1445968303	LUBDNOVXLXYMKD-SECBINFHSA-N	359.407	2.331	10	10	FECE	
Cn1ccnc1[C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCO1	1299249039	ZLNCEFQCTCJVEF-UONOGXRCSA-N	356.386	2.233	10	10	FECE	
O=C(NCc1ccc(O)cc1O)[C@@H]1CCc2nnc(-c3ccccc3)n2C1	1469159757	NABWTRKOQNGJEB-OAHLLOKOSA-N	364.405	2.235	10	10	FECE	
O=C(O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1c1ccc(O)c(O)c1O	1906079472	WCQDVZKNNMMYNO-UONOGXRCSA-N	373.361	2.240	10	10	FECE	
CNC(=O)C(C)(C)Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1O	1554375880	DMNYMBQYYKJDRX-UHFFFAOYSA-N	371.485	2.345	10	10	FECE	
Cc1cc(CC(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)c(C)n1-c1ccccc1	1621009536	HHYHUXIOMPFCNM-SFHVURJKSA-N	367.449	2.289	10	10	FECE	
CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(O)cc2O)c(Cl)c1	1643103857	IDPHEQFPLIDFDY-UHFFFAOYSA-N	370.814	2.053	10	10	FECE	
Cc1ccc(F)c(-n2cc(O)c(C(=O)NCc3ccc(O)cc3O)n2)c1	1643104258	RSXGUOFBCGOMPC-UHFFFAOYSA-N	357.341	2.367	10	10	FECE	
CN(C)c1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)N(C)C)cc1	1651499197	VBTITHFVGJOSPP-SFHVURJKSA-N	371.441	2.475	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)NCCN=[N+]=[N-])cn2)C1	1963817955	SCLWRNXMLBOZDA-ZDUSSCGKSA-N	363.422	2.495	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CC[C@](O)(C(F)(F)F)C2)c([N+](=O)[O-])c1	1772930561	XZADMOPBMWRMLQ-PKXJPQMGSA-N	360.288	2.285	10	10	FECE	
Cc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(N3CCC(O)CC3)cc1)CC2	160313249	QLZQQDZYFXXTPP-WMLDXEAASA-N	355.486	2.213	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cccc(C(=O)O)c3O)CC2)cc1	1866389333	KGEZIERDIRMBDK-UHFFFAOYSA-N	356.378	2.061	10	10	FECE	
CSc1ncc(CN[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)O)s1	1904258699	PNUVJAGCIIMICD-AWEZNQCLSA-N	361.489	2.323	10	10	FECE	
CN1CCCc2cc([C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)O)ccc21	1917190630	IUZUMGLCYUNKQX-HUUCEWRRSA-N	350.415	2.080	10	10	FECE	
COc1ccc(Br)c(CNCC[C@@H](C)[S@](C)=O)c1O	1971658610	HDDZWXURCCYRGS-HOGDKLEQSA-N	350.278	2.410	10	10	FECE	
CN[C@H](c1ccccc1O)[C@]1(O)CN(Cc2ccccc2)[C@@]2(CCOC2)C1	2156320579	PTICTDWJAOQWBW-BHIFYINESA-N	368.477	2.449	10	10	FECE	
COc1ccccc1C=C1SC(=S)N(N2C(=O)CCCC2=O)C1=O	2040736925	UCWPRGDVJWQHLF-UHFFFAOYSA-N	362.432	2.351	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](C)(NS(=O)(=O)Cc2ccc(N)cc2)C1	2044253818	WUUJXXQOPDJXAU-KRWDZBQOSA-N	369.487	2.088	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)N2CCC(N=[N+]=[N-])CC2)O1	2060632468	BFYCHTZIAPRPDJ-OLZOCXBDSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1CCC12CN(C(=O)CCOc1ccc(N)cc1)C2	2106726825	CQPSLWHUZRAXHE-UHFFFAOYSA-N	361.442	2.260	10	10	FECE	
CC(C)(C)OC(=O)NCCc1n[nH]cc1C(=O)NCCCCN=[N+]=[N-]	2219856248	PSASCWUSLAFTJA-UHFFFAOYSA-N	351.411	2.297	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H]2CC[C@@H](O)CN2C(=O)OC(C)(C)C)c1O	2264612670	RJKGKYGRYJMRNO-CABCVRRESA-N	364.442	2.077	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N1CCO[C@H](C(F)F)C1	2312582132	JWYWJJUOIBCSQK-INIZCTEOSA-N	352.381	2.029	10	10	FECE	
CCOc1ncc(C=CC(=O)N(CCC(=O)OC)c2ccccc2)cn1	2325351541	GGINLILNWIYVSB-UHFFFAOYSA-N	355.394	2.485	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCc3c(C)nn(C)c3C)CC2)cc1	173471644	XNMSOTBHAFLMPJ-UHFFFAOYSA-N	357.458	2.077	10	10	FECE	
CN1C(=O)CC[C@@H](C(=O)NCc2ccc(O)c(O)c2)[C@H]1c1ccccc1	182531665	NVBDKMGAMFWJBI-DNVCBOLYSA-N	354.406	2.324	10	10	FECE	
O=[N+]([O-])c1ccc(O)c(CN2CCN(Cc3cn4ccccc4n3)CC2)c1	170906530	ATGQUSFMASFAEU-UHFFFAOYSA-N	367.409	2.266	10	10	FECE	
COc1ccc([C@@H](NC(=O)c2cccc(O)c2O)c2nccn2C)cc1	192962308	SIDRPRIOXPHXNM-MRXNPFEDSA-N	353.378	2.359	10	10	FECE	
COC[C@H](CNC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2)OC	444363817	KLESIRLUHAXKCW-INIZCTEOSA-N	373.497	2.185	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CNCc2cn(C)nc2C(F)(F)F)c1O	278526933	UAUHINODWUSEDS-UHFFFAOYSA-N	360.292	2.351	10	10	FECE	
Cc1cc(C(=O)NCCCCN2CCOCC2)c(C)n1-c1ccccn1	298791463	FFBFZQHNDSTGCE-UHFFFAOYSA-N	356.470	2.331	10	10	FECE	
CC(=O)N1CCCC[C@H]1C(=O)NCc1cc(Br)ccc1O	804739228	BRDBIAFVOBEKTL-ZDUSSCGKSA-N	355.232	2.172	10	10	FECE	
CCS(=O)(=O)N1CCC(NCc2cc(Cl)c(F)cc2O)CC1	294472348	ZNZVHEWGBIZGQV-UHFFFAOYSA-N	350.843	2.088	10	10	FECE	
NC[C@H]1Cc2ccccc2N(S(=O)(=O)c2cccc3nsnc23)C1	392968999	TXIJKBPLVOEJBJ-LLVKDONJSA-N	360.464	2.018	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)c3nnn(C(C)C)c3C)C2)cc1	819591089	OCGLKMZGBHUHSO-HNNXBMFYSA-N	357.458	2.432	10	10	FECE	
CCOC(=O)[C@@H]1CSCN1C(=O)c1cc2cc(O)c(O)cc2s1	907903786	KOXIWIXBEURLSH-VIFPVBQESA-N	353.421	2.391	10	10	FECE	
Cc1nnccc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	839478692	IEGVCXDCZWLCJP-UHFFFAOYSA-N	367.453	2.276	10	10	FECE	
Cc1cc(C(=O)NC[C@H]2CCCCN2CCO)c(C)n1-c1ccccn1	833565313	CFWFHFUXJPFLEN-QGZVFWFLSA-N	356.470	2.066	10	10	FECE	
CC(C)O[C@]1(CNC(=O)NCc2ccc(N(C)C)c(F)c2)CCOC1	915367013	UQDLLWROFZNCQO-SFHVURJKSA-N	353.438	2.275	10	10	FECE	
C[C@H](NC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1)c1ccc(N(C)C)cc1	849574865	ARUHOXIXRWOTIL-BEVDRBHNSA-N	369.513	2.399	10	10	FECE	
Nc1ccc(F)c(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1	841005893	FKDSSIWOBGMTHO-UHFFFAOYSA-N	356.401	2.263	10	10	FECE	
CO[C@H](CS(=O)(=O)Nc1ccc(O)cc1SC)C1CCOCC1	842588154	LECNZYNJAHYMBZ-CQSZACIVSA-N	361.485	2.297	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN[C@@H](C(C)C)C3CC3)CC2)cc1	853117636	YMLHEDWULSXVNU-CTNGQTDRSA-N	361.530	2.202	10	10	FECE	
COc1cc(N2CCc3c(cccc3C(N)=O)C2)c([N+](=O)[O-])cc1OC	853985967	WVAXUONUTFUNLC-UHFFFAOYSA-N	357.366	2.274	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1OCC[C@@H]1C(=O)NCc1c(O)cccc1F	928706338	QQGLAQBWVLWSKR-XHDPSFHLSA-N	368.405	2.077	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CC[C@H](CN3CCCC3=O)C2)c([N+](=O)[O-])c1	853946157	ORFPYSDPONYFOR-PKYBCLHXSA-N	373.409	2.230	10	10	FECE	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CO[C@@H](C2CC2)C1	863532772	SBWSHTCYTARLRI-UKRRQHHQSA-N	350.802	2.377	10	10	FECE	
O=S1(=O)CCN(Cc2c(O)cccc2Br)[C@@H]2CCC[C@@H]21	862388080	WTUPPTIBTONISC-OCCSQVGLSA-N	360.273	2.306	10	10	FECE	
CNC(=O)CCOC1CCN(Cc2cc(F)c(N(C)C)cc2F)CC1	862251566	HQAURODOPBHTDO-UHFFFAOYSA-N	355.429	2.148	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)c1ccnc(N2CCOCC2)n1	1118969116	YJBKOMNBKYARLI-UHFFFAOYSA-N	356.426	2.071	10	10	FECE	
Cc1ccccc1OCCN(C)C(=O)C(=O)N1Cc2cccc(O)c2C1	1118935984	BMSOIONPNYDJAD-UHFFFAOYSA-N	354.406	2.080	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N2Cc3cccc(O)c3C2)C1	871207692	QXIKXAUOAQVICQ-LJQANCHMSA-N	362.426	2.260	10	10	FECE	
COc1ccnc(N2CCN(Cc3cc(Cl)cc(F)c3O)CC2)n1	775648324	DTSQBTKACKIACA-UHFFFAOYSA-N	352.797	2.306	10	10	FECE	
O=C(O)CN1C(=O)/C(=C\c2ccc(C(=O)O)cc2Cl)SC1=S	783683668	LUXIJIXAWJYRDJ-RUDMXATFSA-N	357.796	2.324	10	10	FECE	
COc1cc(O)c(CNCc2cnc(Br)cn2)cc1OC	895409009	RCFYWJXVKRAJNR-UHFFFAOYSA-N	354.204	2.252	10	10	FECE	
CN(Cc1nnc2n1CCCCC2)C(=O)c1ccc(N=NC(N)=O)cc1	1141336979	RCKAKDULWNTTJL-UHFFFAOYSA-N	355.402	2.439	10	10	FECE	
Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)c2cccc(O)c2O)s1	1143861285	NKZGOUCNYKCKSA-JTQLQIEISA-N	365.436	2.017	10	10	FECE	
COc1ccc(-c2cc(C(=O)NCc3c(O)cccc3O)n[nH]2)c(OC)c1	1178904917	CSLJMRIINFRJFA-UHFFFAOYSA-N	369.377	2.435	10	10	FECE	
O=C(N[C@H]1C[C@H]2CC[C@H]1C2)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	1329064136	YNJPCUYFMWJEHC-LAQRGFTBSA-N	372.465	2.205	10	10	FECE	
Cc1cccc2[nH]cc(CCNC(=O)C(=O)N(C)Cc3ccccc3O)c12	1328585925	RDUZSIKAPDGSNC-UHFFFAOYSA-N	365.433	2.499	10	10	FECE	
C[C@H](NC(=O)C(=O)NCC(C)(C)C1CC1)c1ccc(N2CCOCC2)cc1	1334001933	WRZOCVOHBCURNN-HNNXBMFYSA-N	373.497	2.253	10	10	FECE	
C[C@@H](O)CN(c1nnc(-c2sccc2O)n1C[C@@H]1CCOC1)C1CC1	1349323008	ASKRMWMHBLSDOQ-NEPJUHHUSA-N	364.471	2.098	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NCCNC(=O)CCCc1ccccc1	1469224786	PFJVPIBOQOVJBM-BENRWUELSA-N	368.433	2.366	10	10	FECE	
Cn1cc(-c2nc3ccccn3c2NC(=O)Cc2ccc(O)c(O)c2)cn1	1545691344	YYKZFBWZSLYGCD-UHFFFAOYSA-N	363.377	2.327	10	10	FECE	
CCOC(=O)C1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCC1	1627464255	KVPMKISAOBCBHI-KRWDZBQOSA-N	361.486	2.205	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)c1nc(F)ccc1Br	1566369659	PMJXRQKDGUJNCJ-UHFFFAOYSA-N	355.163	2.367	10	10	FECE	
CS(=O)(=O)c1ccc(CCC(=O)NCc2c(O)cccc2F)cc1	1646033522	AICIAWCXOANMDC-UHFFFAOYSA-N	351.399	2.184	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2124502562	ADCIEUDLKFNQSU-GUYCJALGSA-N	367.450	2.297	10	10	FECE	
CC(C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H](C)N1CCOCC1	1750611107	LXOOYNCAMBFQTQ-MRXNPFEDSA-N	373.501	2.464	10	10	FECE	
COc1cc([C@H]2CC(C(=O)Nc3ccc(N)cc3)=NO2)cc([N+](=O)[O-])c1O	586036094	NXAUCBHDQCHOPY-CQSZACIVSA-N	372.337	2.347	10	10	FECE	
Nc1ccc(OCC(=O)N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)cc1	2132354635	RWHFTTRUKGWULA-YLJYHZDGSA-N	351.450	2.381	10	10	FECE	
COc1ccc([C@H](C)NCC2(CO)CN(C(=O)OC(C)(C)C)C2)c(O)c1	2137077626	KLHHINUSVFWLSH-ZDUSSCGKSA-N	366.458	2.281	10	10	FECE	
C[C@H](NCc1cc(Br)ccc1O)[C@H]1CCCS(=O)(=O)C1	2146102758	IFCHYMMEZSQXEX-QWRGUYRKSA-N	362.289	2.458	10	10	FECE	
CNCc1ccc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c(Br)c1	2170654597	XXYUNCYWIFPPPK-MNOVXSKESA-N	363.321	2.426	10	10	FECE	
CN(C)c1ccc(CNC[C@H]2CN(C(=O)OC(C)(C)C)CCN2C)cc1	394444961	GJOLFTUSBOJCRP-SFHVURJKSA-N	362.518	2.393	10	10	FECE	
CO[C@H]1C[C@@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2060611025	OMEKQWSPDDPEBG-AVGNSLFASA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@]1(CCF)C(=O)C(=O)C[C@H]1C[C@H](N)C1	2082237021	JCRKUUDPZWMKRD-SNUQEOBHSA-N	356.438	2.381	10	10	FECE	
CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@@H]1[C@@H](N)c1ccccc1O	2084658871	BYFJWRDQVDSBSJ-QKPAOTATSA-N	352.431	2.041	10	10	FECE	
CN(C)C(=O)CN(Cc1ccccc1)c1cc2c(cc1Cl)[C@H](O)C(=O)N2	2095921452	VYIBRCWNJSTQHY-SFHVURJKSA-N	373.840	2.420	10	10	FECE	
C[C@@H](NC[C@H]1CN(C)CCN1C(=O)OC(C)(C)C)c1ccc(O)cc1O	2098262360	DLFTXSDCYHAEEU-KGLIPLIRSA-N	365.474	2.300	10	10	FECE	
CON(CCC(=O)Nc1ccc(N)cc1)C1CN(C(=O)OC(C)(C)C)C1	2112953122	UICBJFGQQKULKG-UHFFFAOYSA-N	364.446	2.080	10	10	FECE	
COc1ccc(N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c(F)c1F	2219771327	MYVQPRMXVZAVKE-GHMZBOCLSA-N	358.385	2.438	10	10	FECE	
CC(C)CN1C(=O)C(=CNc2ccnn2[C@H](C)C2CC2)C(=O)NC1=S	2295113271	YSBWRTSJMXJMJF-LLVKDONJSA-N	361.471	2.049	10	10	FECE	
CCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N(CC)CCN=[N+]=[N-]	2315986965	LHHBAPFWRJFELZ-OLZOCXBDSA-N	355.439	2.417	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(C1)[C@H](C(=O)NCCCN=[N+]=[N-])CO2	2319900577	AVTZCYVPEUNOAL-BWBHSNQOSA-N	353.423	2.123	10	10	FECE	
Cc1ccc(CNC(C)(C)CS(C)(=O)=O)c(O)c1Br	2352678677	IBYDRWJIQFMGAV-UHFFFAOYSA-N	350.278	2.376	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2ccc(OCC(F)(F)F)nn2)cc1	180337036	DEVIHMJCQXYLRK-UHFFFAOYSA-N	354.332	2.414	10	10	FECE	
CC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(O)cc2C(=O)O)c1	326511828	RYGYSOYFEZGRHC-UHFFFAOYSA-N	364.379	2.158	10	10	FECE	
COC(=O)[C@@H]1C[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	245404407	PCMXLQSQROQIPY-KZNAEPCWSA-N	360.454	2.069	10	10	FECE	
CCNC(=O)C1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1	2168059613	YKGODLWHTMKENP-UHFFFAOYSA-N	374.485	2.134	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NC2CCC(OC(F)F)CC2)cc1	817274543	NAAPCQVOVCJGAG-UHFFFAOYSA-N	369.412	2.035	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)/C=C\[C@@H]3CCCO3)CC2)cc1	819032314	AXYAOWRJUZICJW-QJRAZLAKSA-N	373.497	2.059	10	10	FECE	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N[C@H]1[C@H]2CCC[C@H]21	838573814	SXTLCDCRVDZFSF-YWVIFJGQSA-N	351.397	2.399	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1	830957808	NQIPWTYYQBJVJY-AQNXPRMDSA-N	359.514	2.384	10	10	FECE	
Cc1ccc(O)c(CNC(=O)[C@@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1	912999961	AUUVLQRQDFRYQO-BBRMVZONSA-N	366.458	2.181	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)[C@H]1CCc2ncncc2C1	843885436	HBDDYNIGNFGIMY-JTQLQIEISA-N	362.227	2.366	10	10	FECE	
OCC1CCN(c2ccc(CNC[C@@H](O)c3ccc(F)cn3)cc2)CC1	843066410	WPKXADDCACTOBT-HXUWFJFHSA-N	359.445	2.253	10	10	FECE	
C[C@@H]1OC[C@]2(CC[C@@H](CN3C(=O)CN(Cc4ccccc4O)C3=O)O2)[C@@H]1C	925145403	MHRDQHQRFXEDFG-SUVVTNLASA-N	374.437	2.129	10	10	FECE	
CC(C)(C)c1cc(CNC[C@H](O)CS(C)(=O)=O)c(O)c(C(C)(C)C)c1	922822788	OTFMFASYVICAQZ-HNNXBMFYSA-N	371.543	2.482	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cc(-n4ccnc4)ccn3)C2)cc1	855224133	DNRPUQACKMHOSO-HNNXBMFYSA-N	363.421	2.285	10	10	FECE	
O=C(NCc1cccc(Br)c1O)NC[C@@H](C(=O)O)C1CCC1	854234388	FCQUYWJXKQXJRF-LLVKDONJSA-N	371.231	2.455	10	10	FECE	
COc1cc(O)c(CN2CCO[C@H](c3noc(C4CC4)n3)C2)cc1OC	768445707	TVWHZZJJNJDILY-INIZCTEOSA-N	361.398	2.243	10	10	FECE	
Cc1cnc(C2CCN(C(=O)C(=O)N3Cc4cccc(O)c4C3)CC2)s1	1118950832	JCXKBIXYGLTWLS-UHFFFAOYSA-N	371.462	2.406	10	10	FECE	
CCOC(CC(=O)N1CCN(c2ccc(OC)cc2OC)CC1)OCC	870167568	KXXPMWXUTABMBB-UHFFFAOYSA-N	366.458	2.142	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H](OCCN2CCCCC2)C1	779484400	CRZUUCROSUGLAI-XTKXOIQPSA-N	360.454	2.214	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC(N=[N+]=[N-])CC2)C[C@H](O)C1(C)C	1879106222	DNLTVXAPAQFTIG-SJCJKPOMSA-N	367.450	2.342	10	10	FECE	
COCC[C@H](CO)NC(=O)NCCc1cc(C)n(-c2ccccc2)c1C	798353900	GGLMLPYNNLIEAZ-GOSISDBHSA-N	359.470	2.333	10	10	FECE	
CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@]1(CN)CN2CC[C@H]1C2	1881515612	LOTBHHMSLJTFHB-OXJNMPFZSA-N	360.502	2.181	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@H]2CCC(=O)N2)n1[C@@H]1C[C@H]1CF	1314753241	NDNHDQOLEUYMFJ-BFHYXJOUSA-N	359.405	2.102	10	10	FECE	
O=C(COCc1ccncc1)NCc1cc(Br)ccc1O	1327029451	PDFRXBNSOVYLPY-UHFFFAOYSA-N	351.200	2.383	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)c2cn3ccccc3n2)N(C)C)cc1	1539234712	FXMAVLYLSWWPNS-GOSISDBHSA-N	351.454	2.433	10	10	FECE	
CN1C(=O)/C(=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21	1107459	YZJYXMCITKSSOT-WBNXYMAISA-N	360.460	2.413	10	10	FECE	
Cc1cc(CN2CCCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC2)no1	1464687263	JAGOVWCGFPOANP-UHFFFAOYSA-N	370.413	2.494	10	10	FECE	
COC(=O)C[C@H](Cc1ccccc1)NC(=O)/C=C\c1ccc(O)c(O)c1	1472254873	AHPGALHHQBHBMV-YHWKNFMLSA-N	355.390	2.402	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](CO)[C@@H](N(C)C)C2)cc1	1614603842	PBYUYVDKLCMBQL-ICSRJNTNSA-N	355.482	2.479	10	10	FECE	
Cn1cc(CNc2ccc(C(=O)NCc3ccc(O)cc3O)cc2)cn1	1557085480	NBYFGQQRLWZXDT-UHFFFAOYSA-N	352.394	2.373	10	10	FECE	
COCCNC(=O)c1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1	1556568594	YTANMVXODFHCBM-UHFFFAOYSA-N	369.381	2.478	10	10	FECE	
COc1cccc(CNC(=O)COc2ccc(Br)cn2)c1O	1566373750	CQNHNNYYGVUDBT-UHFFFAOYSA-N	367.199	2.254	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CCN1C(C)(C)C	1566849598	NNBSOQBOBPAQJH-AWEZNQCLSA-N	368.861	2.420	10	10	FECE	
Cc1cccc([C@H]2C(=O)NCCN2C(=O)c2ccc(N=NC(N)=O)cc2)c1	1646402345	GOCHHGVKRCTBCA-INIZCTEOSA-N	365.393	2.471	10	10	FECE	
C[C@@](O)(CSc1cccc(F)c1)C(=O)NCc1cc(O)ccc1O	1644754211	RTNJWMKHKAMRAV-QGZVFWFLSA-N	351.399	2.396	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CCCC[C@]34CCCOC4)nc12	1655922366	PCQKSIPAWXWLRQ-LJQANCHMSA-N	374.441	2.147	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1CCNC(=O)c1cccs1	1751881134	IUIWENOGKRKZJR-UHFFFAOYSA-N	371.466	2.420	10	10	FECE	
CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@]1(O)CCOC1	1763506624	IUKOGDUSBAHRKO-AUUYWEPGSA-N	360.458	2.285	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)NC[C@@]3(C)CCCC[C@H]3O)cc2)CC1	1675580730	SVSRGFOVMZGHSL-TZIWHRDSSA-N	374.529	2.179	10	10	FECE	
CC[C@H](C)[C@@H](O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1685682079	RXHKYPAQGLQPBW-WBAXXEDZSA-N	350.507	2.062	10	10	FECE	
COc1ccc(Br)c(CNC(C)(C)CS(C)(=O)=O)c1O	1964577599	RYICFDYAXKNRCN-UHFFFAOYSA-N	366.277	2.076	10	10	FECE	
CCCn1nccc1NC(=O)C(=O)N(CC)Cc1ccc(N(C)C)cc1	151465090	TUNDATSQRRMDIZ-UHFFFAOYSA-N	357.458	2.346	10	10	FECE	
CN1C(=O)C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)[C@@H]1c1cccc(F)c1	1860327645	OKDNCAJJEFHASS-BEFAXECRSA-N	372.396	2.115	10	10	FECE	
CCOc1cccc(CNCC(=O)NCCc2nc3ccccc3[nH]2)c1O	1860718175	BXLIILLSMCDEGS-UHFFFAOYSA-N	368.437	2.116	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)C1(O)CC(NC(=O)OC(C)(C)C)C1	2127758489	NICXBJSCPLNNCE-BYKITBGFSA-N	364.442	2.330	10	10	FECE	
Cc1cc(OCc2ccc(N)cc2)cc(=O)n1CCCN1CCOCC1	1857922026	RTUSKKHKFFYNDO-UHFFFAOYSA-N	357.454	2.040	10	10	FECE	
CCN[C@H](c1ccccc1O)[C@](O)(CNC(=O)OC(C)(C)C)COCC	1922526374	KRJUQUYXGOVGQL-APWZRJJASA-N	368.474	2.335	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(CNC(=O)Nc2ccc(N)cc2)C1	2136619662	JSTATIGBWYCUHX-SFHVURJKSA-N	364.446	2.152	10	10	FECE	
[N-]=[N+]=NCCNC(=O)c1cc([N+](=O)[O-])ccc1I	701271318	VWRRUTQHUBPODD-UHFFFAOYSA-N	361.099	2.240	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CN[C@@]12CC[C@@H](C1)[C@H](O)[C@@H]2O	2176917858	QWJPKDAYFZSLOV-PLVISXMQSA-N	362.651	2.172	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@H](NS(=O)(=O)Cc2ccc(N)cc2)C1	2044251968	XKGOYEQUZHCHOS-GJZGRUSLSA-N	369.487	2.134	10	10	FECE	
CCN(CCNC(=O)OC(C)(C)C)C(=O)CCOc1ccc(N)cc1	2044691061	KQZFUWUSWCYOQH-UHFFFAOYSA-N	351.447	2.411	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](CNCc2ccc(O)c(O)c2)C[C@@H]2OCC[C@@H]21	2090474004	VCCSDAKCPZDNEE-ZQIUZPCESA-N	364.442	2.354	10	10	FECE	
CN(CCOC(F)F)c1cc2c(cc1Br)[C@H](N)C(=O)N2	2202947660	TZRZOJFBZUFXIN-JTQLQIEISA-N	350.163	2.076	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2218743215	IXAOXMQDSYRGCW-UPJWGTAASA-N	353.423	2.218	10	10	FECE	
Cn1cc(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])c(CNC(=O)OC(C)(C)C)n1	2225791809	HOQGVDAGVLBKSV-VXGBXAGGSA-N	363.422	2.406	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1c1ccc2c(c1)OC(F)(F)O2	2226701375	PQEJMYXMZJVUSN-RYUDHWBXSA-N	372.368	2.472	10	10	FECE	
O=C1C(=Cc2ccccc2F)SC(=S)N1[C@@H]1CCS(=O)(=O)C1	2296726012	VWUUOPXKSWDZCH-SNVBAGLBSA-N	357.453	2.214	10	10	FECE	
C[C@@H](CNC(=O)C=Cc1ccc(N2CCOCC2)cc1)N1CCCCC1=O	2311265565	LGOMFAHJJPLEOC-KRWDZBQOSA-N	371.481	2.054	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NCc3ccc(F)cc3O)CO[C@@H]1C2	2312834407	LVRZPDJWOJDQNS-SIIHOXLZSA-N	352.406	2.446	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCc2nc(CC)nn2C1	114977196	ASNLWDNZGCFVRN-OAHLLOKOSA-N	357.458	2.483	10	10	FECE	
CCOc1ccnc(N2CCN(Cc3cc(F)cc(C(C)=O)c3O)CC2)n1	175650067	CKINDTXOMWIFNE-UHFFFAOYSA-N	374.416	2.245	10	10	FECE	
COc1ccc(N2CCN(C=O)CC2)cc1NC(=O)Cc1ccccc1	62160224	HQEMXGSASBAIFR-UHFFFAOYSA-N	353.422	2.155	10	10	FECE	
C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)C(=O)N1CCCCC1	77575345	FTUBFPMABJZPPT-ZDUSSCGKSA-N	350.438	2.092	10	10	FECE	
CCCC(=O)N[C@@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1	170651681	FFFFKEKGUXNLFL-GOSISDBHSA-N	374.529	2.092	10	10	FECE	
CCc1noc(C)c1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	179555833	XQKRZEOPAMEFQA-UHFFFAOYSA-N	356.426	2.401	10	10	FECE	
C[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@H]1n1ccnc1	131488930	RZAZCWRSZXXSHG-ABAIWWIYSA-N	357.370	2.210	10	10	FECE	
COCCN(Cc1ccccc1)S(=O)(=O)CCOc1ccc(N)cc1	380014032	JLMNZNQJFVMKJW-UHFFFAOYSA-N	364.467	2.126	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCc3c(F)cccc32)cc1	283681518	ZUHJJESLDTXOMC-SFHVURJKSA-N	355.413	2.312	10	10	FECE	
O=C1Nc2cc(Cl)c([N+](=O)[O-])cc2/C1=C\C1=S=C([N+](=O)[O-])C=C1	588421648	REJRZFAAPQCVHU-FPYGCLRLSA-N	351.727	2.466	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F	901055234	KRXOJKRZLKAGRS-NVXWUHKLSA-N	369.339	2.162	10	10	FECE	
Cc1cc(C)cc(-n2ncc(/C=C3\SC(N4CCOCC4)=NC3=O)n2)c1	901441665	CXFINFLAKLYLMB-YBEGLDIGSA-N	369.450	2.187	10	10	FECE	
CC[C@H](NC(=O)NC1CCN(c2ccc(OC)cc2)CC1)[C@@H](O)C(F)F	838191059	PYJPGJRMWGLNTF-JKSUJKDBSA-N	371.428	2.368	10	10	FECE	
CN(C)c1ccc(/C=C\CN[C@H]2CCCN(c3ccn(C)n3)C2=O)cc1	835043350	PJKOLDZUJHNMRG-SUZKBHRPSA-N	353.470	2.285	10	10	FECE	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1CCCOCC1	837710410	OZDXFAGEUHIQDZ-CQSZACIVSA-N	354.397	2.234	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCc3nnn(C)c3C2)cc1F	917616924	JWQBPDXXGUQLTR-CQSZACIVSA-N	374.464	2.157	10	10	FECE	
Oc1cc(OCc2ccccc2)ccc1CN1CCN2C[C@H](O)C[C@H]2C1	848926147	LTKNSOKIAHNGFH-RBUKOAKNSA-N	354.450	2.222	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCN2C(=O)OCC[C@@H]2C1	840481896	PQYVLTCHPKHLBN-CRAIPNDOSA-N	374.485	2.228	10	10	FECE	
C[C@H](NS(=O)(=O)c1cnn2c1OCC(C)(C)C2)c1ccccc1O	919117452	DBOMWBJMKFWMDK-NSHDSACASA-N	351.428	2.047	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3NCCc4ccccc43)C2)cc1	852900277	KGAAVAVMYIAWPW-OXQOHEQNSA-N	351.450	2.277	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)c3ccc(F)cc3)C2)cc1	852449641	VKHVTXSMVVKNNK-LPHOPBHVSA-N	373.428	2.446	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)NC[C@]3(O)C[C@H]4C=C[C@H]3C4)C2)cc1	854188038	VMECJNJMVVMICH-GRXQJBFDSA-N	371.481	2.148	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1C[C@H]2CCCC[C@H]2N1	852916447	JDLUREMYXVHOKH-AHRSYUTCSA-N	357.498	2.185	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3cn(C)nc3C)C2)cc1	852051080	GSFUDBRRNNAEAG-ZFWWWQNUSA-N	357.458	2.376	10	10	FECE	
Cn1nccc1CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	768083683	YQWZWYDWWXGXEV-OAHLLOKOSA-N	362.861	2.102	10	10	FECE	
Cn1cc(C(C)(C)C(=O)NCc2cccc(Br)c2O)cn1	765751679	JDLGQQATHUMPCY-UHFFFAOYSA-N	352.232	2.482	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[C@@H](C(C)(C)C)[C@H](O)C1	779206546	LTYOZYGISWFRID-RTBURBONSA-N	361.530	2.440	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cnc(C4CC4)o3)cc2)C1	1125257583	MBHMAKFWHAKALO-OAHLLOKOSA-N	368.437	2.184	10	10	FECE	
CC(C)Oc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)nn1	794308643	LFCGIQLKJVPJLA-UHFFFAOYSA-N	371.441	2.422	10	10	FECE	
CN1CCN(c2ccc(CNCc3nc(C(F)F)no3)cc2F)CC1	1333848978	HDWUMYWVCAYVDF-UHFFFAOYSA-N	355.364	2.188	10	10	FECE	
Cc1ccc(C2CCN(C(=O)C(=O)N3Cc4cccc(O)c4C3)CC2)cn1	1335598592	PFFQUTLNZMHZJJ-UHFFFAOYSA-N	365.433	2.344	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCN1C1CCCCCC1	1348584337	BZLKSFSQYSXHHK-GOSISDBHSA-N	373.497	2.264	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c(C2CC2)nnc1N(C)[C@H](C)CC(N)=O	1510677002	ZHRYWAQLMFSCRS-CQSZACIVSA-N	370.501	2.278	10	10	FECE	
O=C(NCc1c(O)cccc1F)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1	1456086636	GEQZTDHXYDIMKZ-SNVBAGLBSA-N	364.323	2.479	10	10	FECE	
O=C(NCc1ccc(O)cc1O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1	1451765645	GUKBULRDOBVSFG-CQSZACIVSA-N	361.442	2.078	10	10	FECE	
COC(=O)c1cccc2c1OCCN(C(=O)/C=C/c1ccc(O)c(O)c1)C2	1472177121	WUHUIIITIYUXEQ-SOFGYWHQSA-N	369.373	2.319	10	10	FECE	
Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NCc1c(O)cccc1F)C2=O	1471975158	RCIVMEZVTNHBND-NSHDSACASA-N	356.353	2.141	10	10	FECE	
Cc1cc(C)n(CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(=O)n1	1625318323	DJFFZXURVPLPIX-UHFFFAOYSA-N	354.454	2.117	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1	1635850041	FSAMJOVNACFTSX-UHFFFAOYSA-N	368.349	2.181	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2124508177	NPABPXSFJUNTHW-RDBSUJKOSA-N	367.450	2.296	10	10	FECE	
CCOCc1nnc(N2CCO[C@H](C)C2)n1Cc1ccc(N(C)C)cc1C	1767963865	CUNMDOQSKAYDIQ-MRXNPFEDSA-N	373.501	2.462	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C(C)(C)C1	2132406379	HQFNESYQVTZYSV-ZDUSSCGKSA-N	366.414	2.179	10	10	FECE	
CC(F)(F)CNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136254944	BJRPIEMWNFPGGC-NSHDSACASA-N	374.384	2.305	10	10	FECE	
C[C@H](c1c(O)cccc1O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1	2136335388	IQHIQBBPFXWCAB-ZMZPIMSZSA-N	366.414	2.213	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12CO[C@](C(=O)N3CCC[C@@H](N=[N+]=[N-])C3)(C1)C2	2142247217	AIMYCZFZYZZTFV-JLZZUVOBSA-N	365.434	2.362	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12CO[C@](C(=O)N3CCC(N=[N+]=[N-])CC3)(C1)C2	2142246536	RQVAUSVPHUSCIA-CALCHBBNSA-N	365.434	2.362	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NCc2cc(N)ccc2O)C1	1999477011	FQNHLJIVRAJBTR-YEBMWUKDSA-N	355.460	2.239	10	10	FECE	
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1	389786949	MMBMWKZDZJTNGH-BEFAXECRSA-N	359.495	2.209	10	10	FECE	
CNCc1ccc(N2CC(C)(CS(C)(=O)=O)C2)c(Br)c1	2173200186	RJCJBXPLMZTYMV-UHFFFAOYSA-N	361.305	2.039	10	10	FECE	
Cc1nc([C@H](CN)N(C)c2ccc(CNC(=O)OC(C)(C)C)cc2)nn1C	2194916673	PKFHRARNOPTAHI-INIZCTEOSA-N	374.489	2.284	10	10	FECE	
CS(=O)(=O)C1CC(CNCc2cc(Br)cc(F)c2O)C1	2192327025	BMOKIGXZINQDSU-UHFFFAOYSA-N	366.252	2.207	10	10	FECE	
C[C@@H](N=c1[nH]ccnc1I)c1cc(O)ccc1O	2057938039	WHRRJOBDYWDDFV-SSDOTTSWSA-N	357.151	2.087	10	10	FECE	
COCC1(C(=O)N2CC(N=[N+]=[N-])C2)CCN(C(=O)OC(C)(C)C)CC1	2060610794	LRGOQCGXQGTHPD-UHFFFAOYSA-N	353.423	2.171	10	10	FECE	
CO[C@H](C(=O)N1CCC[C@@H](N=[N+]=[N-])C1)C1CN(C(=O)OC(C)(C)C)C1	2060633465	OCLLLIYYQIPVFK-OLZOCXBDSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N1CCSC(C)(C)[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1	2073580933	JUAGLHZXHMCNIN-HUBLWGQQSA-N	370.515	2.383	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNCc2ccc(F)cc2O)C[C@H]1O	2084174265	DZVPWPAZMMCMQW-DJSGYFEHSA-N	354.422	2.285	10	10	FECE	
CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)Nc1ccc(N)cc1	2106283927	LTPTWFHDJWCHKP-KFWWJZLASA-N	364.446	2.461	10	10	FECE	
Nc1cc(NS(=O)(=O)Cc2ncsc2Br)ccc1O	2227864154	DHGNZCIVZVOFPM-UHFFFAOYSA-N	364.246	2.135	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(c1cc3c(cc1N)OCCO3)C2	2272654157	AZJYWKPJKPWGRX-CWTRNNRKSA-N	361.442	2.391	10	10	FECE	
COc1cccc(CNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)c1O	179358998	HQVBMJHMHWMLNS-YJBOKZPZSA-N	372.396	2.376	10	10	FECE	
CCNC(=O)C1CN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1	178127835	IUBNNATTWMFABZ-UHFFFAOYSA-N	355.438	2.311	10	10	FECE	
CCN1CCC[C@H](NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1	170685702	MJXHDWFSBUITCE-KRWDZBQOSA-N	360.502	2.448	10	10	FECE	
CCOc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1[N+](=O)[O-]	33334931	URHSLIDMVYVBDJ-UVTDQMKNSA-N	363.395	2.296	10	10	FECE	
Nc1ccc(Oc2ccc(NC(=O)N[C@H]3C=CS(=O)(=O)C3)cc2)cc1	40166594	HPDDIAMZSWOHBX-AWEZNQCLSA-N	359.407	2.493	10	10	FECE	
CCS(=O)(=O)c1ccc(CC(=O)NCc2cccc(OC)c2O)cc1	264306458	ZHVJVXLZSPARFE-UHFFFAOYSA-N	363.435	2.053	10	10	FECE	
C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)CCN1C	266765808	PSLNMKPKVKADQZ-LPHOPBHVSA-N	360.502	2.147	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3CCN(CC(F)(F)F)C3)CC2)cc1	279318518	FULUCLVMUIYOHQ-AWEZNQCLSA-N	371.403	2.228	10	10	FECE	
CC[C@H](N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(N(C)C)cc1	806171168	VVUDJNAJXRORRB-AEFFLSMTSA-N	368.547	2.064	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)C3(C)C[C@@H]4C[C@H]4C3)CC2)cc1	815134996	MYYDKLHOIROYQU-IRXDYDNUSA-N	357.498	2.370	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC[C@@H]1CCC[C@@H]2C[C@H]12	828496383	GCEFNNWLCNTVKY-AOIWGVFYSA-N	353.466	2.231	10	10	FECE	
CCO[C@@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)cc2C)[C@@H]1n1cccn1	836494433	HYOZTPVLNKXDES-OTWHNJEPSA-N	371.485	2.475	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCCC[C@@H]2C(=O)N2CCOCC2)cc1	835027246	JBCQLQLPGQELOQ-KKHYBRAUSA-N	357.498	2.479	10	10	FECE	
Cc1ccc(S(=O)(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)o1	841537647	SVJAKBDEBYPNTI-UHFFFAOYSA-N	372.393	2.181	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)c3ccc4c(c3)COC4)C2)cc1	849416845	XVJXNOZUMXHUIU-MRXNPFEDSA-N	374.462	2.283	10	10	FECE	
CCOC(=O)c1cnc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)n1C	841714824	VXLSMGOKYAOEPS-SNVBAGLBSA-N	362.386	2.194	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cnn2c1CCCC2	856212988	ZKMMXRQDSKOQIT-UHFFFAOYSA-N	354.454	2.111	10	10	FECE	
Cc1cc(C)n([C@H](C)C(=O)NCc2ccc(N3CCC(O)CC3)cc2)n1	856211043	XNOCYLIXQQAXGX-MRXNPFEDSA-N	356.470	2.338	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H](C)Cc4c[nH]nc43)CC2)cc1	857844206	GEVGVIAWUJDTQD-KBXCAEBGSA-N	354.454	2.433	10	10	FECE	
CC(C)(C)C(F)(F)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O	856278601	LTMYSTPLRKWLRH-UHFFFAOYSA-N	350.387	2.175	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCCN(C)C3CCCC3)C2)cc1	852067776	FUPZRSCFOIMZQI-MRXNPFEDSA-N	360.502	2.448	10	10	FECE	
CC[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCCOC1	872036059	RSEXSTIAYHGYBP-MJGOQNOKSA-N	366.527	2.216	10	10	FECE	
NC(=O)c1ccc(/C=C/C(=O)NCc2cccc(Br)c2O)o1	1156791897	KFTOYJAFOPPCEP-FNORWQNLSA-N	365.183	2.176	10	10	FECE	
O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]12)C(=O)NCc1ccc(N2CCCC2)cc1	1334573281	HSDJINVFXXZDNM-SCTDSRPQSA-N	355.482	2.455	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2CC[C@H](O)[C@H](O)CC2)c1	1347836930	USGJCJMYDWSZAV-FNLKRUPLSA-N	370.449	2.301	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1nccnc1Cl	1295591233	YLPYZMKZDPJZGY-UHFFFAOYSA-N	370.192	2.304	10	10	FECE	
CCN1CCN(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)[C@H](C)C1	1478859811	IDOUHGICXFJEOA-IAGOWNOFSA-N	360.502	2.257	10	10	FECE	
CCN(CC)c1ccc(Cn2c(C(C)C)nnc2N2CCNC(=O)C2)cc1	1547443776	CYPHBSTWEWZBNS-UHFFFAOYSA-N	370.501	2.232	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCSC[C@@H]2CO)cc1	1545889416	UORIIEHINUQLCU-IBGZPJMESA-N	372.490	2.385	10	10	FECE	
COC(=O)[C@H](Cc1ccncc1)NC(=O)c1cc2cc(O)c(O)cc2s1	1628438538	QGDDRPLMFHVDKC-LBPRGKRZSA-N	372.402	2.222	10	10	FECE	
COc1ccc(CNC[C@](C)(NC(=O)[C@@]23COC[C@@H]2C3)C2CC2)cc1C	1714163334	RJOBYSUGENZONV-YYWHXJBOSA-N	358.482	2.415	10	10	FECE	
CCCS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(O)cc2O)c1	1626837907	JVBCEEIVGRYIGJ-UHFFFAOYSA-N	364.423	2.180	10	10	FECE	
COc1cccc(CNC(=O)c2cc3c(cc2Cl)NC(=O)CO3)c1O	1630366891	ZBRUJDGSQBEHNJ-UHFFFAOYSA-N	362.769	2.315	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2	1634938574	DPYXQCNSCAWMDR-UHFFFAOYSA-N	365.338	2.445	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCC(N=[N+]=[N-])CC2)C1	2124541278	QQVCBYRDTBQJAL-SJKOYZFVSA-N	365.434	2.171	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)c1	161485197	GOYUOJFBJQGYBK-QWHCGFSZSA-N	373.457	2.491	10	10	FECE	
COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)N=c1cc(C)o[nH]1	1857657084	CAXCAIBCRUJBTF-UHFFFAOYSA-N	354.366	2.057	10	10	FECE	
CCOc1cccc(CNCCC(=O)Nc2ccc(C(N)=O)cc2)c1O	1860711510	ZIAXJWVMSZAOHU-UHFFFAOYSA-N	357.410	2.008	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(CNC(=O)c2cc(O)c(O)c(O)c2)CC1	2132411232	TVECQUQCVRZRTI-UHFFFAOYSA-N	366.414	2.180	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1[C@@H]2CC[C@@H]12	2136244926	PQUZNBIQYCTPSY-UPJWGTAASA-N	362.426	2.058	10	10	FECE	
CN(Cc1cc(Cl)cc(Br)c1O)[C@H]1COC[C@H]1C(=O)O	708089870	MROAQOCTQHGCQJ-KOLCDFICSA-N	364.623	2.340	10	10	FECE	
O=S1(=O)C[C@H]2C[C@H]1CN2Cc1cc(Cl)cc(Br)c1O	708216394	RGYJJJQGEOAYJM-ZJUUUORDSA-N	366.664	2.179	10	10	FECE	
C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc(O)c(O)c1	2054401656	VNJVXMPFVKLWBG-NWDGAFQWSA-N	350.415	2.473	10	10	FECE	
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)COC1	2067763693	IAMMWGQHCOGGAG-GFCCVEGCSA-N	353.423	2.219	10	10	FECE	
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccccc1O	2072481897	MHLHFTUPYUKVHK-ZOWXZIJZSA-N	352.431	2.498	10	10	FECE	
CC(C)(C)OC(=O)NCCN(CC(F)F)C(=O)COc1ccc(N)cc1	2106699382	LUBUUUWAILNFKO-UHFFFAOYSA-N	373.400	2.266	10	10	FECE	
COC[C@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CCCCN1C(=O)OC(C)(C)C	2112569306	INSODSACLVGKCZ-NJSLBKSFSA-N	368.474	2.058	10	10	FECE	
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-]	2218745168	LJSULGGJPISWFT-CYDGBPFRSA-N	353.423	2.358	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(CC2CN(CCc3ccc(N)cc3)C2)CC1	2236850955	VVKVCYYECPYLOW-UHFFFAOYSA-N	374.529	2.296	10	10	FECE	
CC(C)(C)OC(=O)NCCc1n[nH]cc1C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-]	2227024475	JBNATIBDDKSDAC-QWHCGFSZSA-N	363.422	2.438	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C(=O)N3CC[C@H](N=[N+]=[N-])C3)O[C@H]2C1	2273721923	LTOOVMKQOXDPQU-FQUUOJAGSA-N	365.434	2.312	10	10	FECE	
C[C@H](NC(=O)C=Cc1ccc(N2CCOCC2)cc1)C(=O)OC(C)(C)C	2302406692	RGUFUQKHTUZCQZ-HNNXBMFYSA-N	360.454	2.383	10	10	FECE	
C[C@@H](C(=O)N1CCc2cc(O)c(O)cc2C1)N(C)C(=O)OC(C)(C)C	2318655549	QTOUUTLMSDKWFD-NSHDSACASA-N	350.415	2.238	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2C(=O)N1CCc2cc(O)c(O)cc2C1	2366904259	UIHWOQUGRZBIGJ-ZQIUZPCESA-N	374.437	2.238	10	10	FECE	
COc1ccc(N2CCN(c3cc(C(=O)NCC(C)C)ncn3)CC2)cc1	242598613	CJNAUTXSNKFGQV-UHFFFAOYSA-N	369.469	2.198	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](CO)CCF)C1	652911839	UDEHKNVEUVJQCT-HNNXBMFYSA-N	361.461	2.245	10	10	FECE	
Cc1cc(CC(=O)NCCCN2C(=O)CCC2=O)c(C)n1-c1ccccc1	826650030	GTAOPZNPVNLPOX-UHFFFAOYSA-N	367.449	2.292	10	10	FECE	
COc1ccc(N2CCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)CC2)cc1	822919258	HHORHGZJXBXOKE-OAHLLOKOSA-N	354.454	2.262	10	10	FECE	
CCOC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)on1	822786838	XRARVBSOULGBHA-ZDUSSCGKSA-N	373.409	2.179	10	10	FECE	
CO[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CCC1	829263164	ITKPBEDYTVKSHF-GOSISDBHSA-N	350.434	2.218	10	10	FECE	
CCCn1cc([C@H](C)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)nn1	903095147	UQFLWKYYQRVVTC-HNNXBMFYSA-N	370.501	2.241	10	10	FECE	
CN(C)c1ccc(/C=C/CN[C@H](C(=O)O)[C@@H](O)Cc2ccccc2)cc1	904048272	MCWBHBMPTBSJDG-IECUYZFFSA-N	354.450	2.412	10	10	FECE	
C/C=C\[C@@H](O)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	900250257	WEJNLTHZYCMNFW-MPNWYJEXSA-N	358.360	2.095	10	10	FECE	
Cc1c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)nnn1C	837540378	BTDQDYURBVYEQF-UHFFFAOYSA-N	371.372	2.105	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@]1(C)CCCS1(=O)=O	910557589	HRWCOVUFWJNXGQ-KSSFIOAISA-N	352.500	2.076	10	10	FECE	
C[C@@H](COC1CCCC1)CS(=O)(=O)Nc1ccc(O)cc1C(=O)O	844782533	BLJOJIRIGHJGMY-NSHDSACASA-N	357.428	2.427	10	10	FECE	
CCOC(=O)c1cn(C)nc1NC(=O)NCc1cc(Cl)ccc1O	844604452	LYAVDIKBJWMIHP-UHFFFAOYSA-N	352.778	2.278	10	10	FECE	
CCO[C@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)CN(C)C	926829355	MUDYQZDLMHAWNE-LJQANCHMSA-N	362.518	2.393	10	10	FECE	
c1cc(CN2CCO[C@@H](CNCc3ccc4c(c3)CCCO4)C2)ccn1	922296009	RDPJSAQEHMBUNR-FQEVSTJZSA-N	353.466	2.397	10	10	FECE	
CO[C@H](C(=O)Nc1c(-c2ccccn2)nc2ccccn12)[C@H]1CCOC1	854513454	JZKAHZWJGYJNLT-GUYCJALGSA-N	352.394	2.386	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cn4nccc4nc3C)C2)cc1	855223110	DZOSLEXQRNHKQW-CQSZACIVSA-N	351.410	2.055	10	10	FECE	
CC[C@@H](NC[C@@]1(CO)COCC2(CCC2)N1C)c1ccc(N(C)C)cc1	858466221	XJGIOSIMOUISTE-TZIWHRDSSA-N	361.530	2.409	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3nccc(OC)c3F)C2)cc1	852450015	FGWAWDLBBXZBEX-CYBMUJFWSA-N	374.416	2.316	10	10	FECE	
CCOC(=O)C1(CC(=O)NCc2ccc3cccnc3c2O)CCOCC1	868937969	PJXQBTCHAWVCBT-UHFFFAOYSA-N	372.421	2.307	10	10	FECE	
O=S(=O)(C[C@@H]1CCC1(F)F)NCc1ccc(N2CCC(O)CC2)cc1	867531894	MSKJRRBWUNVUPJ-AWEZNQCLSA-N	374.453	2.112	10	10	FECE	
COc1cnc(F)c(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	861810440	MNJJUEHZUVXGGN-LLVKDONJSA-N	360.389	2.111	10	10	FECE	
O=C([C@H]1CCCN(Cc2cc(Cl)cc(F)c2O)C1)N1CCOCC1	775647867	FVIITUWCZCOTEY-LBPRGKRZSA-N	356.825	2.256	10	10	FECE	
CC(C)[C@@](C)(O)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	771447047	ZDRDUFXZDIVMDH-OAQYLSRUSA-N	359.514	2.242	10	10	FECE	
CN1CCN(c2ccc(CNCC3(O)Cc4ccccc4C3)cc2)CC1	771842378	MYGTVDCBKFTGQD-UHFFFAOYSA-N	351.494	2.058	10	10	FECE	
COC(=O)C[C@H]1CSCCN1C(=O)c1cc2cc(O)c(O)cc2s1	897214783	FEDCFUJZPOHFAS-JTQLQIEISA-N	367.448	2.433	10	10	FECE	
CC[C@@H](C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)C(=O)OC	790837628	CNAKMALIAUVRRV-IBGZPJMESA-N	373.497	2.034	10	10	FECE	
CC1(C)CO[C@@H](CCNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1	897485569	IIKFDEBNEBQFJT-SFHVURJKSA-N	373.497	2.224	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NC2CCC3(CC2)COC3)cc1	897489066	SDWWDTXLYOYNLO-UHFFFAOYSA-N	373.497	2.224	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)c1nc(=O)c2ccccc2[nH]1	796637750	APXLFOGFGZFDQN-UHFFFAOYSA-N	374.194	2.321	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCC1CC(F)(F)C1	1348790314	GEKPCGJTQPDRRJ-UHFFFAOYSA-N	353.413	2.263	10	10	FECE	
CC(C)[C@H](C(=O)NCc1cc(O)ccc1O)S(=O)(=O)C1CCCCC1	1176748488	UCUFMKQEBKXMRW-QGZVFWFLSA-N	369.483	2.486	10	10	FECE	
Cc1cn2nc(C(=O)N[C@H](C)Cc3ccc(N(C)C)cc3C)cc2c(=O)[nH]1	1347184601	ZPZXWSBOXNOTEJ-CYBMUJFWSA-N	367.453	2.066	10	10	FECE	
CC[C@H](C)[C@@H](OC)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1	1287485798	YOWGMFKJSRFINX-KBXCAEBGSA-N	350.459	2.414	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CCCCN1C	1546152092	RZCONFWYEZUHOM-AWEZNQCLSA-N	354.834	2.032	10	10	FECE	
Cc1ccc(N(CC2CC2)C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1	1616431064	ZLRULGNOFLFGII-UHFFFAOYSA-N	371.462	2.236	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(CC2CC2)n1CC1([S@@](C)=O)CC1	1554175636	QNVIOSNEIKZVDZ-AREMUKBSSA-N	374.510	2.484	10	10	FECE	
C[C@@H](NC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F)c1ccccc1O	1557967062	VEBYYDOJEZKGLB-MRVPVSSYSA-N	372.805	2.323	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(Cn2ccccc2=O)o1	1556158393	ZDMLMVGRHFYNDH-ZDUSSCGKSA-N	368.389	2.262	10	10	FECE	
COc1ccc(CNC(=O)/C=C\C(=O)N[C@@H](C)c2ccccc2O)cc1	1587450957	BVJYEWIICPMVCJ-NYHXXUGCSA-N	354.406	2.451	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CC[C@H](CN=[N+]=[N-])C3)[C@@H]2C1	2124537276	XBKUZVYXGNAKLS-RFGFWPKPSA-N	365.434	2.027	10	10	FECE	
CCS(=O)(=O)CCn1c(C(C)C)nnc1N(C)Cc1ccccc1O	1696475611	SUGCSSQQQQGUTM-UHFFFAOYSA-N	366.487	2.178	10	10	FECE	
CC(=O)NCCNC(=O)/C=C/c1cc(C)n(-c2ccc3c(c2)OCO3)c1C	12553571	JGMSRQCKNZWYGR-QPJJXVBHSA-N	369.421	2.088	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NCc2ccc(N3CCCC3)cc2)C1	2126240095	NHYHJZOPNVMZMG-ROUUACIJSA-N	361.486	2.357	10	10	FECE	
CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2127463516	BCOWLAWRPHNHGZ-BFHYXJOUSA-N	367.450	2.417	10	10	FECE	
COc1ccc(N2CCN(c3nc(NC(=O)CC(C)C)n(C)n3)CC2)cc1	1869969889	XKHIDCSXWACMAS-UHFFFAOYSA-N	372.473	2.135	10	10	FECE	
Cc1ncn(CC(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)c(=O)c1C	1889995528	MRVGALSZDTYMKY-HKUYNNGSSA-N	366.465	2.165	10	10	FECE	
Cc1nc(NC(=O)Cc2ccc(N)cc2)ncc1I	2133324757	BSQBCJJXBAKUOK-UHFFFAOYSA-N	368.178	2.153	10	10	FECE	
Cc1cccc(CNCC2=NO[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1O	2139758661	STDUZNWQTPYVQQ-HOCLYGCPSA-N	361.442	2.412	10	10	FECE	
Cc1cccc(CNC(=O)[C@H]2OCC[C@H]2CNC(=O)OC(C)(C)C)c1O	2139743445	KVNTVUWRYRPZSU-HOCLYGCPSA-N	364.442	2.247	10	10	FECE	
C[C@H](N)c1ccc(N2CC[C@H](CS(C)(=O)=O)C2)c(Br)c1	2143668213	PPBJEEJMAVVTDU-QWRGUYRKSA-N	361.305	2.340	10	10	FECE	
CN(c1cncc(Br)c1)S(=O)(=O)Cc1ccc(N)cc1	2161075639	HURDMZMDAJWMLB-UHFFFAOYSA-N	356.245	2.393	10	10	FECE	
CCS(=O)(=O)C[C@H](C)N(C)c1cc(Br)c(CN)cc1F	2170567206	OLXKDTODKWMQFL-VIFPVBQESA-N	367.284	2.306	10	10	FECE	
C[C@@H]1CN([C@H](CN)c2ccc(N(C)C)cc2)CC[C@H]1NC(=O)C(F)(F)F	2194810902	QWNUZAYNKSGERJ-DAXOMENPSA-N	372.435	2.141	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C[C@H]2CCC[C@H]21	2049783157	RTIPRQBTWOGJAB-RYPNDVFKSA-N	350.459	2.430	10	10	FECE	
CO[C@H]1C[C@@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060611340	RWTPECYGXDWXKT-AGIUHOORSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COCC[C@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060633953	UAOGTBMIGPUHGE-YNEHKIRRSA-N	353.423	2.218	10	10	FECE	
C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	2069832397	RUMZKZSPCUEFIX-IINYFYTJSA-N	356.394	2.008	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](CO)(NCc2c(O)cccc2F)C1	2070041875	GRUHTZUDZZHQAJ-GOSISDBHSA-N	354.422	2.383	10	10	FECE	
CCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccccc1O	2072480980	BUKNGDNQSXPLKS-GXTWGEPZSA-N	352.431	2.499	10	10	FECE	
CC(C)(C)OC(=O)N1CCn2[nH]c(=NCc3cccc(O)c3O)cc2C1	2092671791	SFVYBVBFEMRAJN-UHFFFAOYSA-N	360.414	2.079	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(CNCc2ccc(O)c(O)c2)C1	2229488823	ZNDVGKHJJJGVKV-IFXJQAMLSA-N	364.442	2.213	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](COc3ccc(N)cc3)O[C@@H]2C1	2253907059	SZZKLVLFYMGXSL-OWCLPIDISA-N	350.415	2.051	10	10	FECE	
Nc1ccc(N2CCN(C(=O)[C@@H]3CCN(Cc4ccccc4)C3)CC2)cc1	2285329271	YGYZAURLIPCYOP-LJQANCHMSA-N	364.493	2.440	10	10	FECE	
CCOC(=O)[C@H]1CCCCN1C(=O)C=Cc1ccc(N2CCOCC2)cc1	2297505696	OJKJQSCCNLGIQG-LJQANCHMSA-N	372.465	2.481	10	10	FECE	
COc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccccc3OC)C2=O)cc1	103843577	GSRQHQRXLMOFRE-SDNWHVSQSA-N	367.361	2.283	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O	192215348	WAJKSBWJEMIVBF-YCOJEUHLSA-N	370.380	2.167	10	10	FECE	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CN1CCOCC1=O	279620513	HSJXRPBNPONGFM-INIZCTEOSA-N	368.433	2.341	10	10	FECE	
COc1ccc(O)c(CNC(=O)[C@H]2CSCN2C(=O)C2CCCC2)c1	370720871	SIVZGNIZQHYGDU-OAHLLOKOSA-N	364.467	2.109	10	10	FECE	
Cc1ccc(CN2C[C@H]3CCS(=O)(=O)[C@H]3C2)c(O)c1Br	2380713201	QHBABWWXTSJWFH-PWSUYJOCSA-N	360.273	2.082	10	10	FECE	
O=C(NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1cc(O)cs1	807718159	SONMUCGWQHZQLV-UHFFFAOYSA-N	353.831	2.470	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)NCCCn2ccnn2)CCCC1	649919465	IMNUTRJQALRAKD-UHFFFAOYSA-N	367.453	2.327	10	10	FECE	
C[C@H](NC(=O)N1CCOC2(CCN(C)CC2)C1)c1ccc(N(C)C)cc1	826946182	LBXIWTZEDFDRSK-INIZCTEOSA-N	360.502	2.320	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)c1cn(CC2CC2)nn1	831936487	BNIXYBFJVRCIJW-UHFFFAOYSA-N	351.204	2.086	10	10	FECE	
COC(=O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	907273560	MGHBOJCPVBCYOO-RUUSSUOPSA-N	359.422	2.146	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)N[C@@H]1CCn2ccnc21	836525643	YWWWSXNSFDJJJK-LLVKDONJSA-N	351.204	2.295	10	10	FECE	
O=C(NCc1cccc(CN2CCOCC2)c1)NCc1c(O)cccc1F	914250945	GLAYOZATQBWCKK-UHFFFAOYSA-N	373.428	2.363	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)C[C@@H]2CCOC[C@H]2OC)cc1	844857491	YOQUPOPCBDOOKK-MAUKXSAKSA-N	350.459	2.031	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)NCC1(C2(O)CCOCC2)CC1	919909677	VSYIXHZEQWDJAR-UHFFFAOYSA-N	371.481	2.184	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC[C@@]1(C)C[C@@]1(F)Cl	846733824	SDGAXUBEZDMEGJ-ROUUACIJSA-N	369.868	2.498	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3cc(C)cc(F)c3)C2)cc1	850537202	NTOREIDZGGWOLF-HNNXBMFYSA-N	371.412	2.476	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3O)C2)cc1	855223618	BPZMLNDZNGEMPR-GFCCVEGCSA-N	357.366	2.318	10	10	FECE	
Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2F)c(C)c1OCC(=O)O	758169679	XSMIFZSYBNSFPG-UHFFFAOYSA-N	369.370	2.412	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CC3(CCOCC3)CO2)c1	869031011	BZEPSAOIGCUDRQ-DZGCQCFKSA-N	364.442	2.347	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1ccnn1C	867529875	ONWHXZDXPFUEKR-CQSZACIVSA-N	358.442	2.132	10	10	FECE	
Cn1ncc2cc(CNCc3ccc(N4CCC(O)CC4)cc3)cnc21	865631790	IVWTXJFGRFBUIR-UHFFFAOYSA-N	351.454	2.219	10	10	FECE	
CC(C)C[C@@H](C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	765393889	WUCUOHFLYNJLES-OAHLLOKOSA-N	352.500	2.220	10	10	FECE	
C[C@H](NC(=O)NCCCN1C(=O)c2ccccc2C1=O)c1ccccc1O	868601381	NIFGSOZYBAVBSP-ZDUSSCGKSA-N	367.405	2.439	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)CN2CC[C@H](NC(N)=O)C2)c1C	762924858	HPJFULIYCQBUCB-INIZCTEOSA-N	354.454	2.328	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H]1CN1CCOCC1	896697590	JNWIFENCASBAPG-CYBMUJFWSA-N	362.451	2.249	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N[C@]2(C(=O)O)CCSC2)cc1F	797719543	PNZWHHLXOWGUDV-QGZVFWFLSA-N	369.462	2.431	10	10	FECE	
C[C@@H]1CSC[C@@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1312669518	QYDRPERFEZYFED-XOKHGSTOSA-N	350.532	2.406	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC(O)(c3ccnn3C)C2)cc1	1175615360	GKVFIHPUYHGVOA-UHFFFAOYSA-N	350.422	2.171	10	10	FECE	
CC1(C)CC(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1	1328637403	HYFOSRWATIVHKQ-INIZCTEOSA-N	360.454	2.205	10	10	FECE	
O=C(N1CCC[C@H](CNCc2cc3c(cc2O)OCO3)C1)C(F)(F)F	689465786	WTIUVYBHXZNHNA-SNVBAGLBSA-N	360.332	2.011	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@H]4C[C@@H]43)cc2)CC1	1332004829	OXTPCHOGVCHJMD-UHOSZYNNSA-N	355.482	2.441	10	10	FECE	
Cn1nnnc1-c1ccc(NC(=O)c2ccc(C3=S=CC=C3)o2)cc1	1617755238	JMANLAVKQYFWTE-UHFFFAOYSA-N	351.391	2.348	10	10	FECE	
CN(C)c1cc(F)cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1	1628404295	UGAFAGNZZRAIPY-UHFFFAOYSA-N	367.402	2.221	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CC2)n1CC[C@H]1COCCO1	1711095354	JYCHFLWQZDXZTM-INIZCTEOSA-N	358.442	2.303	10	10	FECE	
COC(=O)c1cc(OCC(=O)NCc2ccccc2F)ccc1N(C)C	1656826333	XJIWFXFIOAHJGA-UHFFFAOYSA-N	360.385	2.374	10	10	FECE	
CC[C@@H](C)[C@@H](C(=O)OC)N1CCN(c2ccc(OC)cc2OC)CC1	1655379075	ZCGCLEVYVBOQEK-KDOFPFPSSA-N	350.459	2.414	10	10	FECE	
CC(C)(C)OC(=O)NCc1ncc(C(=O)N2CCC(N=[N+]=[N-])CC2)cn1	2124506242	VCZCZNZIXPMOIA-UHFFFAOYSA-N	361.406	2.416	10	10	FECE	
CCOC(=O)CN(C)C(=O)CN1C[C@@H](C(C)C)Cc2cc(OC)ccc21	1654793258	GWEHSPCJYBYXIZ-INIZCTEOSA-N	362.470	2.351	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)NCCc1ccc(O)c(O)c1	1964087984	KGBQGNBJAYSJLG-OLZOCXBDSA-N	368.405	2.104	10	10	FECE	
C[C@H](NC[C@@H](O)CN1CCCCC1)c1ccc(N2CCOCC2)c(F)c1	151342186	KKTDPVNCNLFEHP-FUHWJXTLSA-N	365.493	2.160	10	10	FECE	
O=C(CCCn1ncccc1=O)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	1890081224	YJAGJSMRVGUKKZ-HKUYNNGSSA-N	366.465	2.329	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@](Sc2nccs2)(C(=O)O)C1	1904756112	AXDJGQMXGKEUQJ-AWEZNQCLSA-N	360.457	2.326	10	10	FECE	
COc1ccc(CNC[C@@]2(NC(=O)OC(C)(C)C)CCOC2)c(O)c1	711192735	TZOIWFPKFIKLMO-SFHVURJKSA-N	352.431	2.174	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)NCC2(CN=[N+]=[N-])CC2)C1	2060619758	QMEDMCUNAOHNQL-GFCCVEGCSA-N	353.423	2.077	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2060621027	IZLVLYNXMTZQAG-JHJVBQTASA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)NCCCCN=[N+]=[N-])C[C@@H](O)C1(C)C	2073245160	FPKCSIJUYZEOQA-BDJLRTHQSA-N	355.439	2.247	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](NC(=O)COc2ccc(N)cc2)C2(CC2)C1	2106266653	WCGTWSSYCSRWQX-HNNXBMFYSA-N	361.442	2.163	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H](C(=O)C(=O)C[C@H]3C[C@H](N)C3)C[C@H]21	2311792437	QCFGFWCEQSTBIY-QAUDVVSPSA-N	350.459	2.191	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@H]1CO[C@]2(CNC(=O)OC(C)(C)C)C[C@H]1C2	2320054955	ZRVPCKBHJOACIP-MQIPJXDCSA-N	353.423	2.075	10	10	FECE	
C[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@H]1n1ccnc1	301679315	RZAZCWRSZXXSHG-IAQYHMDHSA-N	357.370	2.210	10	10	FECE	
CCCN1CCC[C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	136214540	KJIMLSHDVCEINZ-HXUWFJFHSA-N	359.514	2.386	10	10	FECE	
CC[C@H](C)N(CCC(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)=O	243530769	ODFYRJYKRBFOTG-INIZCTEOSA-N	361.486	2.381	10	10	FECE	
COc1ccc(N2CCN(c3cnc(C(=O)NCC(C)C)cn3)CC2)cc1	240650956	AFXQZLNMJVJWPG-UHFFFAOYSA-N	369.469	2.198	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H](c1ccccc1)N1CCOCC1	588405368	HUGAYVPZXHSMSN-CNRGFGOASA-N	368.433	2.301	10	10	FECE	
Cc1cc(C(=O)CN2CCOC[C@H](O)C2)c(C)n1-c1ccc(Cl)cn1	830638821	UFVNLMDCWJEARH-OAHLLOKOSA-N	363.845	2.018	10	10	FECE	
C[C@@H]1CN(c2ccc(CN3C(=O)N4CC5CC4(C5)C3=O)cc2F)C[C@@H](C)O1	849352407	VFJNYOFXGROHFH-SMNNRIISSA-N	373.428	2.366	10	10	FECE	
COc1cc(Br)cc([C@H](C)NCC[C@@]2(O)CCOC2)c1O	848555163	MEPLSLRKKSKJMT-ZUZCIYMTSA-N	360.248	2.355	10	10	FECE	
Cc1cc(O)c(CN2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c(Cl)c1	840948060	KSOPQMGNXWTTNS-ZDUSSCGKSA-N	360.907	2.457	10	10	FECE	
Cc1cc(CNC(=O)NCc2c(O)cccc2F)nc(N2CCCC2)n1	922589500	AMTMLATYBPEYCO-UHFFFAOYSA-N	359.405	2.229	10	10	FECE	
C[C@@H](NC[C@@]1(CO)COCCN1Cc1ccccc1)c1cc(F)ccc1O	850555170	MRPBKTJRRLRPIU-IIBYNOLFSA-N	374.456	2.445	10	10	FECE	
C[C@@H]1[C@H](NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C[C@H]2CC[C@H]1N2	925485378	MIRCUPJSMXJRHE-UXANRKEVSA-N	356.514	2.007	10	10	FECE	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cn(C)ccc2=O)cc1	931202461	GJOGXAFCITVFPC-GOSISDBHSA-N	369.465	2.273	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCC(CO[C@H]3CCNC3)CC2)cc1	861549917	UTSWWGLDRCKUNH-IBGZPJMESA-N	360.502	2.053	10	10	FECE	
Cc1nn(CCC(=O)NCc2ccc3cccnc3c2O)c(C)c1[N+](=O)[O-]	862027934	KDTVGSUZZQEHGJ-UHFFFAOYSA-N	369.381	2.368	10	10	FECE	
CC(C)(C)OC(=O)NC1(CNC(=O)c2cc(O)cs2)CCOCC1	862814408	PKAHIQXNPNIWRS-UHFFFAOYSA-N	356.444	2.257	10	10	FECE	
Cc1ccc(COC(=O)c2cc(NS(C)(=O)=O)ccc2O)c(C)n1	772043120	KMCPJRAAIJZXLO-UHFFFAOYSA-N	350.396	2.133	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCCC12OCCO2	773977758	JJETVSJNQFEKBW-IBGZPJMESA-N	374.481	2.055	10	10	FECE	
COc1cc(O)c(CNC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)cc1OC	787306012	XZYMIVIMFZQQQV-JLWZUMTPSA-N	357.450	2.008	10	10	FECE	
COC(=O)N[C@H]1CCN(Cc2cc(Br)cc(OC)c2O)C1	895851227	USZACHWEQFRIAG-NSHDSACASA-N	359.220	2.094	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3ccc(F)c(O)c3)CC2)cc1	1142566033	UYQHOLINWPJXAR-UHFFFAOYSA-N	373.428	2.092	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1cc([N+](=O)[O-])ccc1SCCO	1178912477	URDUCIIUCYZRSJ-UHFFFAOYSA-N	364.379	2.020	10	10	FECE	
CN1C(=O)[C@H](O)c2ccc(N3C[C@H]4CN(Cc5ccccc5)C[C@@H]4C3)cc21	705959768	QTAUGNGJRXZKRV-CBGDNZLLSA-N	363.461	2.265	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H]3[C@@H](C2)[C@]31C(=O)C(=O)C[C@H]1C[C@H](N)C1	1891634916	CLKVOUPLOCPHRW-ILCVMBFYSA-N	362.470	2.191	10	10	FECE	
CNS(=O)(=O)c1ccc(NCc2cc(C)ccc2O)c([N+](=O)[O-])c1	1187092249	XLPLFEZQVLYVBU-UHFFFAOYSA-N	351.384	2.129	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@]2(C)CC2(F)F)cc1	1347451144	RBNCMBIYEGLQJI-QGZVFWFLSA-N	353.413	2.311	10	10	FECE	
O=C(NCc1cccc(O)c1O)[C@H]1CCCN1c1ncnc2ccccc12	1263894626	OPYKUQLGXBMODX-MRXNPFEDSA-N	364.405	2.326	10	10	FECE	
CN(C)c1ccc(CNC(=O)/C=C/c2ccc(S(C)(=O)=O)o2)cc1F	1357200616	MLJZSXQMKVSUOW-VMPITWQZSA-N	366.414	2.218	10	10	FECE	
COc1ccc(CNC(=O)c2cc3c(cc2Cl)NC(=O)CO3)c(O)c1	1296967435	CDENYSIYFAJPPI-UHFFFAOYSA-N	362.769	2.315	10	10	FECE	
CN1CCc2cc([C@@H](O)c3nn(C)cc3I)ccc21	2121115478	VMEGPKFDZRBOSQ-CQSZACIVSA-N	369.206	2.099	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2nc(-c3ccccn3)n[nH]2)c1	1635245494	HSZNJHKOZLGITH-LLVKDONJSA-N	368.397	2.141	10	10	FECE	
CCO[C@@H]1C[C@H](O)C12CCN(c1cc(OC)c(OC)cc1[N+](=O)[O-])CC2	1655173627	IPNBHDZJNKAJBL-DLBZAZTESA-N	366.414	2.368	10	10	FECE	
CO[C@H]1COCC[C@@H]1CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1	1682547618	FVCPGCZSJXMRSH-MJGOQNOKSA-N	361.486	2.480	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CC1(C)C	2132417757	FWOUYCHYNGAMSG-CYBMUJFWSA-N	366.414	2.179	10	10	FECE	
Cn1ncc(C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)c1I	1912142906	CVZQAPQJQPOWIC-QMMMGPOBSA-N	374.186	2.187	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H]2CO[C@@H](CNC(=O)OC(C)(C)C)C2)c1O	2139749935	AMHFKKCPSOAURE-LSDHHAIUSA-N	364.442	2.247	10	10	FECE	
C[C@H](N)c1ccc(N2CC[C@H](CS(C)(=O)=O)C2)cc1Br	2143667432	GGBHBQSXUDNFQS-QWRGUYRKSA-N	361.305	2.340	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(CC(=O)Nc3ccc(N)cc3)C[C@@H]21	2162944428	IXUVFHBPWBAWLG-RRQGHBQHSA-N	374.485	2.442	10	10	FECE	
COc1cccc(CNC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)c1O	394391922	NBQNACPJQFZKNL-OAHLLOKOSA-N	365.474	2.042	10	10	FECE	
Cc1cc(O)n2ncc(C(=O)Nc3cccc(CN4CCCC4=O)c3)c2n1	2087900637	PQEHOCVNAYKTNB-UHFFFAOYSA-N	365.393	2.118	10	10	FECE	
C[C@H](NC(=O)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O	1454815970	INKJMJHIJOXECU-LNSITVRQSA-N	350.415	2.252	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(F)c(F)c2O)[C@@H](O)C1	2052714838	BQKXKWATKRYEFD-OLZOCXBDSA-N	358.385	2.130	10	10	FECE	
CCOc1cccc(CNCCC2(O)CN(C(=O)OC(C)(C)C)C2)c1O	2087531665	WFMYOBKHWDPTLB-UHFFFAOYSA-N	366.458	2.252	10	10	FECE	
COc1ccc(N2CC[C@H](CO)[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC	2226800447	SXNFMZLEBUIOBB-HIFRSBDPSA-N	366.458	2.416	10	10	FECE	
COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCC(C)C	2313682082	UUPXXYYLKKWRRY-UHFFFAOYSA-N	374.397	2.380	10	10	FECE	
CN(C)c1ccc(CN[C@@](CF)(CNC(=O)OC(C)(C)C)C(=O)O)cc1	2349140601	PWZOHCZJOPEORQ-SFHVURJKSA-N	369.437	2.160	10	10	FECE	
NC(=O)CC[C@@H]1CCCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1	108794884	IHJROAPMVUWORN-OPUMOTSWSA-N	371.481	2.041	10	10	FECE	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCCCN1CCN(C)CC1	41361833	ZTDPMVCDVKZIDG-UHFFFAOYSA-N	369.469	2.008	10	10	FECE	
CN(C)C(=O)C1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	46983797	GCATYFWKXCSIDD-UHFFFAOYSA-N	358.486	2.297	10	10	FECE	
CCOc1ccc(O)c(CN(CC(=O)N2CCCC2)C[C@H]2CCCO2)c1	93667367	MXGBLXKOYARJKQ-GOSISDBHSA-N	362.470	2.394	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)C3CCSCC3)CC2)cc1	264838209	CMWFLMIBNFUIBU-UHFFFAOYSA-N	363.527	2.077	10	10	FECE	
CN(CCCO)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	282551328	YWYRTKCXLSGIRL-ZDUSSCGKSA-N	357.401	2.281	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CO1	826823239	YEYSRXPJVAEZFI-QFBILLFUSA-N	372.513	2.195	10	10	FECE	
COc1cc(Br)cc(CNC2CCC(C(N)=O)CC2)c1O	727645507	NYLWLOVJXBMEON-UHFFFAOYSA-N	357.248	2.297	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)NCC3(C)COC3)cc2F)C[C@@H](C)O1	732994332	XUNGVEWLRBGOBM-ZIAGYGMSSA-N	365.449	2.275	10	10	FECE	
Cn1cnc(CCNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	838740977	CWZDJPYUWJXRCC-KRWDZBQOSA-N	358.442	2.059	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N2C[C@H](C)Oc3ccc(OC)cc32)c1	742004627	GNLRMEJPCYUDJJ-IRBQFCFKSA-N	367.405	2.277	10	10	FECE	
C[C@@H](NCC[C@]1(O)CCOC1)c1ccc(N2CCOCC2)cc1Cl	846193441	IUKHTPMDUCZFRC-KDOFPFPSSA-N	354.878	2.369	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)N3CCC[C@@H](C)C3)CC2)cc1	743357724	DSHBKVMMWBWCRL-QGZVFWFLSA-N	360.502	2.259	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3scc4c3OCCO4)CC2)cc1	846768096	BUXRQUFBIVLWNH-UHFFFAOYSA-N	360.435	2.490	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)c3ccnc(O)c3)C2)cc1	854093335	WZLYULJQSNFLNY-UKRRQHHQSA-N	356.426	2.435	10	10	FECE	
CCn1nc(C)c([C@@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n1	924726971	BSMXUGKIRIRZPL-PBHICJAKSA-N	370.501	2.159	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)N3CCOC[C@@H]3CC3CC3)cc2)CC1	924006933	LZSYTGPVZACEIK-FQEVSTJZSA-N	372.513	2.149	10	10	FECE	
COC[C@H](CCNC(=O)NCc1cccc(Br)c1O)OC	852449363	UEVCXYACJNOIQM-NSHDSACASA-N	361.236	2.005	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)[C@H]1CCCc2nn[nH]c21	854442133	HTMZTXPTHURGNA-JTQLQIEISA-N	351.204	2.009	10	10	FECE	
Cc1cc(CNC(=O)N[C@H](C)c2nnc(O)n2C)c(C)n1-c1ccccc1	923454841	XIZIONHDUYZUSF-CYBMUJFWSA-N	368.441	2.489	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc4c(c3)CCNCC4)C2)cc1	852843765	GPSQAMYUJLQVJD-IBGZPJMESA-N	365.477	2.392	10	10	FECE	
CC1(C)OCC[C@H]1CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	852684665	LSMKESHDUOIWBC-INIZCTEOSA-N	361.486	2.262	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3CC4(CSC4)C3)cc2)C1	864953464	DQJPDJMYHOMSOH-OAHLLOKOSA-N	373.522	2.148	10	10	FECE	
Cc1cnc(N)c(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1	766774653	GSWJPIYVTIYQGM-UHFFFAOYSA-N	360.483	2.392	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCc2c(cccc2N2CCOC2=O)C1	1137109575	BAOLUQOPZWZION-UHFFFAOYSA-N	368.389	2.182	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N(CCO)Cc2ccnn2CC)cc1	792883538	QIOSQVBKGZFNID-UHFFFAOYSA-N	373.501	2.453	10	10	FECE	
Cc1nnc(N2CC[C@@H](C)C2)n1Cc1ccc(N2CCOCC2)c(F)c1	1304816083	AYOSWJCMCLOHOR-CQSZACIVSA-N	359.449	2.457	10	10	FECE	
CC(C)CN1C[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)CCN2C1=O	1448913729	LKAQMKMRAPFSAP-HNNXBMFYSA-N	372.429	2.067	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1	1442882045	UAFFDRXQEJVHNR-CYBMUJFWSA-N	350.415	2.014	10	10	FECE	
CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1CCS(C)(=O)=O	1512805712	CIEGHOCLIXTRLQ-CYBMUJFWSA-N	366.487	2.178	10	10	FECE	
COC(=O)COc1ccc([C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)cc1	1296150699	SHAWXVZFXSOWIB-GFCCVEGCSA-N	359.378	2.070	10	10	FECE	
O=C1CC[C@@]2(C(=O)NCc3ccc(O)cc3O)Sc3ccccc3N12	1299570468	JBEICCCLBZUQQT-SFHVURJKSA-N	356.403	2.343	10	10	FECE	
Cc1ccc(C(=O)NCc2cc(Br)cnc2N)c(O)c1O	1457453723	UJYNQUIWWPUCET-UHFFFAOYSA-N	352.188	2.076	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3cccc(O)c3O)C[C@]2(C)C1	2118165307	ZLUUDPVKAYXCEU-CWTRNNRKSA-N	362.426	2.427	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCc1ccncc1OCC(F)(F)F	1635093205	MWDTWNVGOHZHQY-UHFFFAOYSA-N	356.300	2.293	10	10	FECE	
C[C@H](NC(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1nnc(O)n1C	1565377836	ZMLKFAQQZXGXGG-ZDUSSCGKSA-N	358.446	2.024	10	10	FECE	
CCn1c(S)nc2cc(C(=O)NCc3c(O)cccc3F)ccc2c1=O	1645048225	MHIGVHFDCREQLB-UHFFFAOYSA-N	373.409	2.480	10	10	FECE	
COC(=O)COc1ccc(N(C)CC(=O)Nc2ccc(Cl)nc2)cc1	1654118188	ZIWVTLZORMUOJT-UHFFFAOYSA-N	363.801	2.362	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H](O)CCN1C(=O)OC(C)(C)C	2124384856	BECKUKXPQYIZBE-LSDHHAIUSA-N	364.442	2.111	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(C(=O)N3CC[C@@H](N=[N+]=[N-])C3)(CCO1)C2	2124537622	ADKVROSBDJXHEP-AXOLYNHLSA-N	365.434	2.362	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(CC(=O)NCC2(CN=[N+]=[N-])CC2)CC1	2124541708	VSQIVJQJBAOMDC-UHFFFAOYSA-N	367.450	2.345	10	10	FECE	
COc1ccc(CNC(=O)NCc2ccc3c(=O)cc[nH]c3c2)c(O)c1	1683176641	KUGNLUWQTVVUNP-UHFFFAOYSA-N	353.378	2.242	10	10	FECE	
CC(C)(C)OC(=O)NCCN1CCC(C(=O)NCCCCN=[N+]=[N-])CC1	1964945361	WNALAZCZZFUVSA-UHFFFAOYSA-N	368.482	2.430	10	10	FECE	
COc1ccc(C2=NN(CCO)C(=O)/C2=C/c2ccccc2C(=O)O)cc1	18196140	OGBJOOBANMFACM-SFQUDFHCSA-N	366.373	2.016	10	10	FECE	
COc1cccc(CN[C@@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)c1O	2133756392	WHDIJYIFRNGOOF-IBGZPJMESA-N	366.458	2.252	10	10	FECE	
N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1cscc1Br	1926870118	UMCCCKOQVXYEOA-VIFPVBQESA-N	357.229	2.430	10	10	FECE	
CS(=O)(=O)C[C@@H]1CCCN1c1ccc(CN)c(Br)c1F	2151272729	MIQGABBKMRRFGV-JTQLQIEISA-N	365.268	2.060	10	10	FECE	
COC1(CCNC(=O)OC(C)(C)C)CN(Cc2cc(N)ccc2O)C1	2044668038	CRJAFYMGMWSDRS-UHFFFAOYSA-N	351.447	2.090	10	10	FECE	
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2060635653	NXGREMBONKJOPP-YNEHKIRRSA-N	353.423	2.312	10	10	FECE	
CN(c1cc2c(cc1N)OCC(=O)N2)[C@H]1CCN(C(=O)OC(C)(C)C)C1	2106706617	UGMWEYVTUFNOAS-NSHDSACASA-N	362.430	2.045	10	10	FECE	
COC1(CCNC(=O)OC(C)(C)C)CN(CCOc2ccc(N)cc2)C1	2106757189	NGXLNFOOAMNJFY-UHFFFAOYSA-N	365.474	2.263	10	10	FECE	
CCN1CCc2cc([C@H](N)[C@@H](O)[C@H]3CCN3C(=O)OC(C)(C)C)ccc21	2106859366	IKRRGBLXPYHJIN-SQNIBIBYSA-N	361.486	2.439	10	10	FECE	
COc1cccc(O)c1CNCCOC1CN(C(=O)OC(C)(C)C)C1	2315583339	RPMKDZXUGIQDLQ-UHFFFAOYSA-N	352.431	2.126	10	10	FECE	
CC(=O)Nc1ccc(O)c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1	55343139	BICQKXPPRQJTCX-UHFFFAOYSA-N	369.421	2.117	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCCN(c2ccccc2)C1=O	180783019	UMWLBIXTXYEDAM-SOGBHIHOSA-N	352.390	2.423	10	10	FECE	
COc1ccc(CC(=O)N2CCN(c3ccc4c(c3)OCO4)CC2)cc1	243102784	JCFRPZJRGWQFNH-UHFFFAOYSA-N	354.406	2.315	10	10	FECE	
CCOc1ccc(N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1	244165895	VAQXOBMKNPMYFD-UHFFFAOYSA-N	365.455	2.201	10	10	FECE	
COc1ccc(N2CCN(c3cnnc(N4CCC[C@@H](C)C4)n3)CC2)cc1	240682145	AJAPBGVNUYUJGT-MRXNPFEDSA-N	368.485	2.443	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)NCCOC(C)(C)C	817859623	KXNDXSYCZCURNJ-HNNXBMFYSA-N	363.502	2.040	10	10	FECE	
CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)/C=C/c1cccnc1C)CC2	826527689	RQNFGFJMZZRNIB-VQHVLOKHSA-N	371.462	2.291	10	10	FECE	
CCN(C)C(=O)[C@H]1CSCN1C(=O)c1cc2cc(O)c(O)cc2s1	900506074	GNJWNYCPZTWDRE-SNVBAGLBSA-N	366.464	2.306	10	10	FECE	
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(O)c(O)c1	830559250	KPGOJXIXYXIFIM-ZDUSSCGKSA-N	368.430	2.032	10	10	FECE	
COCc1ccnc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1	844836254	WKUADQALLMHUDJ-UHFFFAOYSA-N	356.426	2.386	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)[C@]23C[C@H]4C[C@H](C(=O)N2)[C@H]3C4)cc1	844304597	LLPSAKFJPYCCDD-DZKDUJFISA-N	355.482	2.406	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H]2CC3CCC2CC3)c1	843958090	LRKIIALFTDZVFD-WXRRBKDZSA-N	352.456	2.320	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2CCC(=O)N(C)C2)c1	859498808	LPFXPIJPIUJXLJ-KRWDZBQOSA-N	353.422	2.257	10	10	FECE	
O=C1[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)N1Cc1ccc(N2CCC(O)CC2)cc1	853090119	YGORTXYIYUIWDI-SNRMKQJTSA-N	369.465	2.210	10	10	FECE	
COC[C@H](NC(=O)N[C@@H](C)c1cc(OC)ccc1O)C1CCOCC1	852468748	SXCRTHZJAQBBNI-LRDDRELGSA-N	352.431	2.203	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H]3CSCCS3)C2)cc1	853844299	LJZHOEIDDWTAIN-CZUORRHYSA-N	367.540	2.422	10	10	FECE	
CC(C)C[C@@]1(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CCNC1=O	865017833	BFDMRXJYZDQVOB-KKSFZXQISA-N	373.497	2.253	10	10	FECE	
C[C@H]1CC[C@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CN1	861805678	JBKXTHFDNQORSJ-RDJZCZTQSA-N	373.497	2.310	10	10	FECE	
CCCC[C@H](NC(=O)NCC)C(=O)NCc1ccc2cccnc2c1O	862027405	RAGBPSXYVWWQLH-HNNXBMFYSA-N	358.442	2.435	10	10	FECE	
C[C@H](NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)c1cc([N+](=O)[O-])ccc1O	786956829	FGHAFXNBBLKDTN-ACRNXKQCSA-N	356.422	2.460	10	10	FECE	
COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(N2CCOCC2)c(F)c1	786578831	NHHSMCPGSSYZCL-FCEWJHQRSA-N	362.445	2.436	10	10	FECE	
Cc1cc(C(=O)OCC(=O)c2cnn(C)n2)c(C)n1-c1ccc(F)cc1	791483337	PVQHBTKYRFQAPI-UHFFFAOYSA-N	356.357	2.401	10	10	FECE	
COCCn1c(-c2sccc2O)nnc1N(C)C[C@H]1CCCCO1	1343260982	CGLVZWHAIWLXSK-GFCCVEGCSA-N	352.460	2.364	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C(C)=C\c1ccccn1	1327634492	HALNCTJQXXMXFK-DDKJEQMHSA-N	370.405	2.187	10	10	FECE	
C[C@H](NCc1ccc2c(c1)CCN2C)C1(O)CN(C(=O)OC(C)(C)C)C1	1918700211	BQNXIMWUOWXTFF-AWEZNQCLSA-N	361.486	2.139	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC[C@H]2C[C@H](OC)C2)cc1	1350516831	RUCPZVOHPKNULC-SAABIXHNSA-N	361.486	2.032	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)NCC(C)(C)C3CC3)C2)cc1	1351490800	QGZHENBILKXDMG-OAHLLOKOSA-N	373.497	2.190	10	10	FECE	
CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCc1cc(O)ccc1O	1455356741	KFENQMPVIGZCMT-ZDUSSCGKSA-N	352.456	2.052	10	10	FECE	
CNc1nccc(C(=O)NCc2ccc3cccnc3c2O)c1[N+](=O)[O-]	1469247504	APWLVJSMWPYTLJ-UHFFFAOYSA-N	353.338	2.215	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc([N+](=O)[O-])ccc1N	1469230014	DYAWQSYUQNTZSI-UHFFFAOYSA-N	373.365	2.088	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1Cc2cc(F)ccc2NC1=O	1466790063	AZZNONGNUOTASD-YGRLFVJLSA-N	358.369	2.095	10	10	FECE	
COC(=O)c1ccc2c(c1)N(C(=O)c1cn(C)nc1-c1cccnc1)CC2	1463364893	IVZCLTSNMHGCSV-UHFFFAOYSA-N	362.389	2.472	10	10	FECE	
CCOc1ccc(N(CC(=O)NCC(=O)NC(C)(C)C)CC2CC2)cc1	1460631347	PWDPNPJFCNFXOW-UHFFFAOYSA-N	361.486	2.333	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)c2C)c1	1624075294	MCYHSBCSTUMIBF-ZWKOTPCHSA-N	355.438	2.052	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ncc2c(F)cccn12	1638529120	FKVXVRSYQPAIJU-UHFFFAOYSA-N	371.368	2.385	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)/C=C(/C)CN3CCOCC3)CC2)cc1	1636702403	QIJMMDDRPZAJLU-VLGSPTGOSA-N	373.497	2.012	10	10	FECE	
COc1ccc(-c2nc(NC(=O)Cc3ccc(O)c(O)c3)n[nH]2)cc1OC	1634253642	MMMZIWSAUWHRBA-UHFFFAOYSA-N	370.365	2.081	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)c1cnn2cccc(Br)c12	1635960173	ZMHCOJBWIZOISD-UHFFFAOYSA-N	362.183	2.438	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)NCc3nc(O)cc(O)n3)ccc21	1641493162	FSCRKRXEQUHESM-UHFFFAOYSA-N	370.409	2.036	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1CC(=O)NC1CCCCC1	1742753692	ALVPXARGRUAWMD-UHFFFAOYSA-N	357.458	2.377	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(C(=O)N3CC[C@H](CN=[N+]=[N-])C3)(CO1)C2	2124542315	CLFIFIAXDLYFBW-AXOLYNHLSA-N	365.434	2.219	10	10	FECE	
COc1ccc(F)c(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c1	155799010	BZIXHZYPXQVVAM-UHFFFAOYSA-N	369.396	2.465	10	10	FECE	
COc1ccc(O)c(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCCC2)c1	155951322	CFTSERBLIBNUIA-IAGOWNOFSA-N	360.454	2.446	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)O[C@H]1CCCNC1	1951941212	SAVWIHVMJGFFHV-XJKSGUPXSA-N	352.431	2.260	10	10	FECE	
C[C@@H]1C[C@H](NCc2cc(Br)cc(F)c2O)CCS1(=O)=O	2143955308	GXCARAMQPSNFLZ-LDYMZIIASA-N	366.252	2.349	10	10	FECE	
C[C@@H](N)c1ccc(N2CCC[C@@H]2CS(C)(=O)=O)cc1Br	2151278905	FYXYFMACXKFYQR-ZYHUDNBSSA-N	361.305	2.482	10	10	FECE	
Cc1nc(S(=O)(=O)Nc2ccc(O)c(F)c2)c(Br)n1C	313590623	ZIKFRFRHIDEXBM-UHFFFAOYSA-N	364.196	2.137	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2cccc(O)c2O)C1	2054410942	SFNRUPUCCSHYPY-NWDGAFQWSA-N	350.415	2.473	10	10	FECE	
CC[C@@](COC)(NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1O	2060480625	YYFYUEHIMYMOOD-SFHVURJKSA-N	352.431	2.328	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H](CN=[N+]=[N-])C1)[C@@H]1CCCO1	2060637999	QUQIIFYFEPXMEQ-AGIUHOORSA-N	353.423	2.218	10	10	FECE	
COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2060634232	XDATUDYYLRPABG-CHWSQXEVSA-N	355.439	2.465	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12	2060635826	PSHHCUOJCLXFBQ-UPJWGTAASA-N	353.423	2.027	10	10	FECE	
COc1ccc(CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)cc1C	2063348886	RRHHBPZUDSQGKF-HOTGVXAUSA-N	350.459	2.464	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@]2(NCc3ccc(O)c(O)c3O)C[C@H]2C1	2077025798	OCXNNHKCTMVWKM-SGTLLEGYSA-N	350.415	2.293	10	10	FECE	
CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2218738494	PQYZCAAHIOQGKY-RNJOBUHISA-N	353.423	2.358	10	10	FECE	
COc1ccc(N2C[C@@H](O)CC23CN(C(=O)OC(C)(C)C)C3)c(F)c1	2219615389	SWKJXUQQMLVJHF-LBPRGKRZSA-N	352.406	2.395	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1	2288269271	ZXWIWGNLPCUSJR-YRVVQQKDSA-N	374.485	2.442	10	10	FECE	
COc1ccc(C=C2SC(=S)N(CCCNC(C)=O)C2=O)cc1	2323887474	DXJXVEXOTINZAF-UHFFFAOYSA-N	350.465	2.423	10	10	FECE	
Cn1ncc(I)c1NCc1cc2c(cc1O)OCO2	2353692563	PMFOQKVZXICMKI-UHFFFAOYSA-N	373.150	2.071	10	10	FECE	
CN(C)Cc1cc([C@@]2(C(=O)O)C[C@@H]2NC(=O)OC(C)(C)C)ccc1O	1952905958	HYOKBUUBNRHGKF-KSSFIOAISA-N	350.415	2.073	10	10	FECE	
Cc1cc(C(=O)N2CCS(=O)(=O)[C@@H](C)C2)c(C)n1-c1ccc(F)cc1	121879253	PBEUCNMVZUBFLF-ZDUSSCGKSA-N	364.442	2.492	10	10	FECE	
COC(=O)Cn1ncc(N[C@H](C)c2ccc(N3CCC(O)CC3)cc2)c1C	195159630	SDPRQLLIJSTFIV-CQSZACIVSA-N	372.469	2.499	10	10	FECE	
COCCN(C)c1ccc(CN2CCN(c3ccc(OC)cc3)CC2)cn1	191166147	PPWZCTGSKRKIKM-UHFFFAOYSA-N	370.497	2.495	10	10	FECE	
Nc1ccc(CCNC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)cc1	237945884	LRLXRJBBBOZYGY-QGZVFWFLSA-N	357.479	2.223	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C1CCN(c2cnccn2)CC1	372487968	VUYRAASJPDYPHZ-UHFFFAOYSA-N	367.497	2.414	10	10	FECE	
CN(C)c1ncc(NC(=O)NCc2cc(Br)ccc2O)cn1	806365438	UGWYRJITLNINKH-UHFFFAOYSA-N	366.219	2.332	10	10	FECE	
Cn1nnc(C(=O)NCc2ccc(N3CCCC3)cc2)c1C(F)(F)F	906108702	BKKORFSMVDZILQ-UHFFFAOYSA-N	353.348	2.364	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CNC3(C4CCC4)CCC3)CC2)cc1	839193110	PISUBWSVVQLFGM-FQEVSTJZSA-N	373.541	2.491	10	10	FECE	
Cc1cc(O)c(CNC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c(Cl)c1	840902715	SJVOHUGFLDDGEQ-PIGZYNQJSA-N	351.834	2.164	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnn4c3C[C@@H](C)CC4)CC2)cc1	843518277	XJIZSUVFYLNFMM-HNNXBMFYSA-N	354.454	2.436	10	10	FECE	
O=C(NCCC1CCS(=O)(=O)CC1)NCc1cc(Cl)ccc1O	845088534	QWPSLLNBCGKRKL-UHFFFAOYSA-N	360.863	2.060	10	10	FECE	
CN(CCCOc1ccccc1)Cc1cc(O)n2ncc(C(=O)O)c2n1	846236789	BUHVVAHXYNDPJD-UHFFFAOYSA-N	356.382	2.034	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3c(C)nc(O)nc3SC)C2)cc1	855234161	TZKCEIUJIUVQCN-LBPRGKRZSA-N	374.466	2.230	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3C[C@H]4CC[C@H]3[C@@H](CO)C4)CC2)cc1	853643760	NZXVSCKMDNSOQU-YRNRMSPPSA-N	373.497	2.466	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)NCc2ccc3oc(=O)n(C)c3c2)c1	858539845	NXMIASMUARFLEG-NSHDSACASA-N	356.378	2.475	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](OC(F)F)C3)C2)cc1	854296018	ABJXYIOVCBSTIO-WFASDCNBSA-N	355.385	2.297	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@H]2CCCNC2=O)C1	769664785	JGLBDYKDTAAJQO-IBGZPJMESA-N	369.465	2.230	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)N3CC(CC4CC4)C3)CC2)cc1	1118812647	IYXJQTDDZLPGNW-UHFFFAOYSA-N	371.481	2.039	10	10	FECE	
CC(C)(C)OC(=O)N1CC2CC1(CNCc1ccc(O)c(O)c1O)C2	701864406	MDJJETIEODWMEV-UHFFFAOYSA-N	350.415	2.293	10	10	FECE	
COc1ccc(CNC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1C	702849176	SUXXTWVURMCDJS-JKSUJKDBSA-N	350.459	2.321	10	10	FECE	
O=S1(=O)[C@H]2CC[C@H]1CC(NCc1c(O)cccc1Br)C2	724350198	JMXNGGZLYIZLBF-QWRGUYRKSA-N	360.273	2.353	10	10	FECE	
Cc1cc(CC(=O)N2CCN(CCN(C)C)CC2)c(C)n1-c1ccccc1	1290337305	MILBPKLIBVFIPA-UHFFFAOYSA-N	368.525	2.342	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C	1296246668	NHJGYODUIIOIEA-KGYLQXTDSA-N	350.415	2.058	10	10	FECE	
CN(C)c1ccc(CN[C@@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)cc1	2121660676	COJNAAGTXCSQSU-KZNAEPCWSA-N	361.486	2.477	10	10	FECE	
Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)NCc1c(O)cccc1O	1639289590	UPTBMUSWJQDMQS-UHFFFAOYSA-N	354.410	2.164	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)c1ccccn1	1567306723	ZYURYRILMVGCIF-AWEZNQCLSA-N	372.421	2.061	10	10	FECE	
COC(=O)c1cc(C(=O)NCc2c(O)cccc2O)n(-c2ccccc2)n1	1635847268	LKUJQMPLOSEIIU-UHFFFAOYSA-N	367.361	2.000	10	10	FECE	
CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)NCCN=[N+]=[N-])C1	1963815652	AYSAJPYELGAWOL-WMLDXEAASA-N	361.402	2.229	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)NCC3(CN=[N+]=[N-])CC3)CO[C@H]2C1	2124535292	LTCAMEMOWYXRFM-UPJWGTAASA-N	365.434	2.075	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1cc(O)c(O)c(O)c1	2132393359	UFKBEUXSJSSAOW-GFCCVEGCSA-N	366.414	2.323	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(O)c(O)c(O)c2)C(C)(C)C1	2132403636	LHBHYSRAINQRRV-UHFFFAOYSA-N	366.414	2.275	10	10	FECE	
Cc1cc(Br)cc(CN2CCC[C@@H]2CS(C)(=O)=O)c1O	2151231330	VQAPBRRZCKTGKR-CYBMUJFWSA-N	362.289	2.472	10	10	FECE	
CN(C)c1ccc(CNCCn2cc(I)cn2)cc1	2097168566	MBPWALWQFVANKI-UHFFFAOYSA-N	370.238	2.344	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]1(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])CCCO1	2060635784	PDEHTIVYSUHUFP-MLGOLLRUSA-N	353.423	2.362	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)CCOc1ccc(N)cc1	2106226659	ACKSZZNDUPGWPN-PVUWLOKVSA-N	361.442	2.162	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CCN(CCC(=O)Nc2ccc(N)cc2)C1	2106650296	BSOJNHUVORNKSZ-CQSZACIVSA-N	362.474	2.444	10	10	FECE	
CN(c1cc2c(cc1N)OCCO2)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12	2106879598	ANIZGYPKLYEQEU-RYUDHWBXSA-N	361.442	2.342	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1c1ccc2c(c1)OCCCO2	2226815619	UYGGBWIWEIXYES-HUUCEWRRSA-N	364.442	2.312	10	10	FECE	
COC(=O)[C@H](CNC(=O)C=Cc1ccc(N2CCOCC2)cc1)CC(C)C	2297662160	GVTPEUOVKPLNEP-SFHVURJKSA-N	374.481	2.488	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)COc3ccc(N)cc3)[C@H]1C2	2329479244	CDHWAKATIMFKPE-UHOFOFEASA-N	361.442	2.162	10	10	FECE	
Cc1ccc(CNS(=O)(=O)NCC(C)C)c(O)c1Br	2352645052	FWUQVNCANOHRPW-UHFFFAOYSA-N	351.266	2.043	10	10	FECE	
Cc1cc(C(=O)CN2CCN(CCO)CC2)c(C)n1-c1ccc(F)cc1	102680536	BZEKICNSJAGUEW-UHFFFAOYSA-N	359.445	2.026	10	10	FECE	
CC(C)(C)c1ccc(S(=O)(=O)NCCN2C(=O)CSC2=S)cc1	71558033	TZNNABDKBHVHSM-UHFFFAOYSA-N	372.537	2.123	10	10	FECE	
O=S(=O)(C(F)F)[C@H]1CCN(c2ccc(CO)c(Br)c2)C1	2368554217	RTNKZHGXVVRKNX-JTQLQIEISA-N	370.215	2.158	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3[C@H]4[C@H]5CC[C@@H](C5)[C@H]43)cc2)CC1	248679829	CGZRUVWTXRZMHR-SQEGATDGSA-N	367.493	2.263	10	10	FECE	
COCCN1C(=O)/C(=C/c2ccc(OC)c3ccccc23)C(=O)NC1=S	254704758	RJFUXLCUXSPURM-RVDMUPIBSA-N	370.430	2.122	10	10	FECE	
COc1cc(OC)c(S(=O)(=O)Nc2ccc3c(c2)OCO3)c(OC)c1	275050684	YIDYACGVWFBWCA-UHFFFAOYSA-N	367.379	2.242	10	10	FECE	
COc1ccc(N2CCCN(C(=O)COC3CCC(N)CC3)CC2)cc1	827459049	RQBQFBGGSGDBBC-UHFFFAOYSA-N	361.486	2.020	10	10	FECE	
COc1cc(Br)cc(CN2C[C@@H](N)[C@H](C(F)(F)F)C2)c1O	903982845	XJZOXIMMZLMLCV-NXEZZACHSA-N	369.181	2.485	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3C[C@@H]4[C@@H](C3)C4(F)F)C2)cc1	845267600	HKAUYBOUILTLTK-DAXOMENPSA-N	351.397	2.428	10	10	FECE	
CNC(=O)Cc1nc(CN(C)c2cc(OC)c(OC)c(OC)c2)cs1	749160439	XKRWJFUTHWHWTD-UHFFFAOYSA-N	365.455	2.094	10	10	FECE	
O=C1CN(C(=O)/C=C/c2cnccn2)c2cc(Br)ccc2N1	756687621	KBIITAWAYDZISU-DUXPYHPUSA-N	359.183	2.238	10	10	FECE	
CC(C)[C@H](C)CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	852190616	MQETZXRQRMODDB-OAHLLOKOSA-N	367.515	2.013	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3sccc3-n3ccnn3)C2)cc1	855225790	QFLWSYSMTPSFIJ-ZDUSSCGKSA-N	369.450	2.346	10	10	FECE	
COC(=O)CCNC(=O)CCN[C@@H](C)c1cc(Cl)c(Cl)cc1O	858542717	WYKZOVDBJSQRRT-VIFPVBQESA-N	363.241	2.419	10	10	FECE	
CO[C@@H]1CCC[C@@H]([C@@H](CO)NCc2ccc(N3CCOCC3)c(F)c2)C1	850353453	DDEIZAWJYKQILM-ZHALLVOQSA-N	366.477	2.318	10	10	FECE	
CCO[C@H](C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCOC1	868956141	LCPPKCSFOOPXNU-FCEWJHQRSA-N	362.470	2.079	10	10	FECE	
O=C(c1ccccc1)c1ccc(O)c(CN2CCO[C@@]3(CCOC3)C2)c1O	768897702	ANBGEUHDORHYKT-NRFANRHFSA-N	369.417	2.320	10	10	FECE	
C/C(=C\C(=O)N1CCCc2cccc(S(C)(=O)=O)c21)c1cnccn1	1121126660	RPSYXEJKZAJVLJ-ACCUITESSA-N	357.435	2.263	10	10	FECE	
COC(=O)[C@@H](C[C@@H]1CCCO1)NCc1cccc(Br)c1O	895863766	NJYCIKAXMUKKKW-WCQYABFASA-N	358.232	2.355	10	10	FECE	
C[C@H](NC(=O)[C@@H]1[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@H]21)c1ccccc1O	1877573971	QVBYQJPFBMNSOF-DDWPSWQVSA-N	362.426	2.204	10	10	FECE	
COC(=O)[C@H](CC(C)C)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1	795546088	BTSZBYBTWJRTRN-SFHVURJKSA-N	363.502	2.231	10	10	FECE	
Cc1ccc(N2C[C@H](C(=O)NCc3c(O)cccc3O)CC2=O)cc1F	1304051641	ZOBFFHMYRDLVCQ-GFCCVEGCSA-N	358.369	2.215	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)NC[C@H](O)CC(C)(C)C)N(C)C)cc1	1256232124	KWLADKXIGKUCQQ-QZTJIDSGSA-N	364.534	2.452	10	10	FECE	
CC[C@@H]1NC(=O)N(c2cccc(NC(=O)Cc3ccc(O)c(O)c3)c2)C1=O	1448864319	NVXGKHHANWCLJS-AWEZNQCLSA-N	369.377	2.114	10	10	FECE	
COc1ccc(-n2cc(C(=O)NCc3ccc(N(C)C)cc3)nn2)cc1	1531321458	QIVSFYFEIPZCHQ-UHFFFAOYSA-N	351.410	2.272	10	10	FECE	
CC(C)(C)OC(=O)NCC1(F)CC(CNC(=O)c2cccc(O)c2O)C1	2118154266	GHZSRMIAMQZXGB-UHFFFAOYSA-N	368.405	2.471	10	10	FECE	
CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3ccc(N=NC(N)=O)cc3)[C@H]2C1	1556883029	IBUSQONNMBSTKR-CWRNSKLLSA-N	357.414	2.226	10	10	FECE	
COC(=O)c1cnc(CNC(=O)c2cc3cc(O)c(O)cc3s2)s1	1645541945	WNZYMCIRFJJGJQ-UHFFFAOYSA-N	364.404	2.486	10	10	FECE	
COC(=O)COc1c(C)cc(C(=O)NCc2cc(O)ccc2O)cc1C	1651225638	RJXSNISXONFABE-UHFFFAOYSA-N	359.378	2.196	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C	2124151539	BVRYGYUDFGCWIR-GZBFAFLISA-N	364.442	2.282	10	10	FECE	
O=C(NCc1cccc(Br)c1O)N[C@@H]1CCC2(C1)OCCO2	1679548444	YROZUNCIMWLNCB-LLVKDONJSA-N	371.231	2.250	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CCN(C(=O)C(C)(C)C)C3)CC2)cc1	1858357533	GJRBJMDZGLPRCR-MRXNPFEDSA-N	373.497	2.238	10	10	FECE	
COCCCNC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O	1873848266	ZUKBGDQMJODOJL-UHFFFAOYSA-N	362.385	2.481	10	10	FECE	
Nc1ccc(CN2CCC[C@@H](NC(=O)c3ccc4c(c3)OCO4)C2)cc1	586062542	ZHTMXGDOTWCYSD-QGZVFWFLSA-N	353.422	2.392	10	10	FECE	
Cc1cccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)C2(O)CCC2)c1O	2139760366	RCEHBXIDHUWLQS-HNNXBMFYSA-N	364.442	2.125	10	10	FECE	
COc1cc([C@@](C)(NC(=O)OCc2ccccc2)C(=O)O)cc(O)c1O	1952081918	VCYUIALJKIEHRQ-GOSISDBHSA-N	361.350	2.333	10	10	FECE	
C[C@H](O)c1ccc(N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1Br	2145047621	GJQNPQORTDYJFF-PKFCDNJMSA-N	360.273	2.126	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2C[C@H](C1)C2NC(=O)OC(C)(C)C	2162966033	GHCXVLQRFYZGIL-NRMMMPIQSA-N	374.485	2.441	10	10	FECE	
CN(CC1(S(C)(=O)=O)CCC1)c1ccc(CO)cc1Br	2167825983	SCKNFJVWFLVNHG-UHFFFAOYSA-N	362.289	2.345	10	10	FECE	
CC(C)(C)OC(=O)N[C@](C)(C(=O)N1CCC[C@H]1CN=[N+]=[N-])C(C)(C)O	2060639281	GHQBITACZVQVEO-MEDUHNTESA-N	355.439	2.342	10	10	FECE	
COc1ccc([C@@H](C)NC[C@](C)(CO)NC(=O)OC(C)(C)C)c(O)c1	2060806792	JFBTWMXTXRCRHV-KZULUSFZSA-N	354.447	2.327	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)c1	2060805972	IWXLOGMPHUILLW-XIKOKIGWSA-N	354.447	2.327	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNCc1ccc(O)c(O)c1O	2078324187	OZVMHLCPTOPNRP-RWMBFGLXSA-N	350.415	2.148	10	10	FECE	
CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccn(-c2ccc(N)cc2)n1	2106770608	AJIZZPSXNYUGKR-UHFFFAOYSA-N	359.430	2.051	10	10	FECE	
CCN1CCc2cc([C@H](N)[C@@](O)(CF)CNC(=O)OC(C)(C)C)ccc21	2265165479	IWJIHPZSXYCMDS-QFBILLFUSA-N	367.465	2.294	10	10	FECE	
C[C@H](Oc1ccc(C=C2SC(=S)N(CCCO)C2=O)cc1)C(=O)O	2314930114	XSUYFAVSLGORLD-JTQLQIEISA-N	367.448	2.122	10	10	FECE	
CN(C)c1ccc2c(c1)CCN2[C@](C)(CNC(=O)OC(C)(C)C)C(=O)O	2348188221	QHWFXHHAGRWMDU-LJQANCHMSA-N	363.458	2.483	10	10	FECE	
COCCCN(Cc1cc(Cl)cc(C)c1O)[C@H]1CCS(=O)(=O)C1	179606000	JKMFFGPCLXEFDD-HNNXBMFYSA-N	361.891	2.380	10	10	FECE	
CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)Cc2ccccc2O)ncn1	173422690	KNWOYMMALPFWIA-OAHLLOKOSA-N	370.457	2.034	10	10	FECE	
CC(=O)NC1CN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1	189957834	RORVUVDYXZUDPI-UHFFFAOYSA-N	358.486	2.485	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnc(NC4CC4)cn3)CC2)cc1	253443531	ULWDDLJUHUVIMM-UHFFFAOYSA-N	353.426	2.022	10	10	FECE	
O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1)C1=S=CC=C1	532137581	ZAELNSNHBIEHEI-UHFFFAOYSA-N	368.374	2.458	10	10	FECE	
Cc1cc(CN(C)C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)no1	297893760	OTLWQCZQHGDOGV-UHFFFAOYSA-N	370.453	2.199	10	10	FECE	
COc1ccc(O)c(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1	813489407	YGSCSGDPCMXAPR-UHFFFAOYSA-N	352.293	2.446	10	10	FECE	
Cc1cc(C(=O)CN2CCO[C@@H]([C@H](C)O)C2)c(C)n1-c1ccc(F)cc1	839669856	BYLGNADJSHWQKF-MGPUTAFESA-N	360.429	2.498	10	10	FECE	
C[C@H](N)[C@H](C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	841783113	WGDMYXAZYGCNTP-RYUDHWBXSA-N	356.417	2.292	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)N3CCC34CCCC4)CC2)cc1	846734743	HQUCBDSIPUZIIB-UHFFFAOYSA-N	371.481	2.325	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NCCN2CCC(O)CC2)c1O	848553537	UWDHVBOWHRGGFY-LLVKDONJSA-N	373.291	2.271	10	10	FECE	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1	927341334	OEPODGFYNLLRAJ-ZDUSSCGKSA-N	351.403	2.085	10	10	FECE	
COc1ccc(CNC(=O)N[C@@H]2CCC[C@H]2Cc2cnn(C)c2)c(O)c1	852596295	JYZATADAEKQNGP-WMLDXEAASA-N	358.442	2.345	10	10	FECE	
C[C@H]1CCC[C@H](CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)O1	852580012	DPOCTTKSEBUKCO-HNAYVOBHSA-N	361.486	2.405	10	10	FECE	
O=C(Nc1cnoc1)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769740112	CDEDBNOYKBLTPS-UHFFFAOYSA-N	365.392	2.495	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccnn2[C@H](C)C2CC2)c1	760223209	SGAHTGPFRHPCBT-NWDGAFQWSA-N	372.425	2.384	10	10	FECE	
CCOC(=O)C1(CC(=O)NCc2cc(Cl)ccc2O)CCOCC1	869147785	WQSNGDAPLBFYIP-UHFFFAOYSA-N	355.818	2.412	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc(S(N)(=O)=O)cc1	1135800731	NSIOFFYVXSPETP-UHFFFAOYSA-N	373.478	2.206	10	10	FECE	
C[C@@H]1[C@@H](NCc2cc3c(cc2O)OCO3)CC(=O)N1Cc1ccccc1	798505706	USIOIUZPQOTSFX-CJNGLKHVSA-N	354.406	2.400	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2C[C@](C)(CO)Oc3ccccc32)cc1	1307981155	DLVWRQJAYAGMNU-OAQYLSRUSA-N	369.465	2.019	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NCCC2CC(OC)C2)cc1	1327906260	WSJJPGDCNXLABB-UHFFFAOYSA-N	361.486	2.080	10	10	FECE	
CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)CCc1ccc(N)cc1	711770936	IHXDTTKDBXBUGQ-JOCHJYFZSA-N	367.493	2.297	10	10	FECE	
CCOc1ccc(N2C[C@@H](C(=O)NCc3cccc(O)c3O)CC2=O)cc1	1347531495	YTCKEMGFCLPWRX-AWEZNQCLSA-N	370.405	2.166	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3C[C@H]3C(=O)OC)ccc21	1288764039	MMKAKJAWHWKGJW-NVXWUHKLSA-N	358.438	2.443	10	10	FECE	
CCS[C@@H](C)c1noc(CN(C)C(=O)Cc2ccc(O)c(O)c2)n1	1295018832	ZMAQSDLDLHJCLV-JTQLQIEISA-N	351.428	2.496	10	10	FECE	
CC[C@H](Cn1c(C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1)OC	1292174036	UNNIISJIYYPYBZ-LJQANCHMSA-N	373.501	2.485	10	10	FECE	
CCOc1ccccc1C(=O)NCCCC(=O)NCc1c(O)cccc1O	1456234032	HIVQABFSLJSKSI-UHFFFAOYSA-N	372.421	2.323	10	10	FECE	
Cc1cc(CCNC(=O)[C@]2(C)C[C@H](O)CN2C)c(C)n1-c1ccccc1	1470849811	LZKVOQJNMDVLPT-FPOVZHCZSA-N	355.482	2.208	10	10	FECE	
Cc1ccc([C@@](O)(CC(=O)NCc2cc(O)ccc2O)C(F)(F)F)o1	1471661035	FFJTWZSNDHKIFQ-HNNXBMFYSA-N	359.300	2.456	10	10	FECE	
O=C(NCCCSc1nccs1)c1ccc2nnc(S)n2c1	1627198986	QFFVDJRPOBEIMG-UHFFFAOYSA-N	351.482	2.387	10	10	FECE	
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N(C)Cc1ccccc1O	2124381436	QXZLXPBBRRZDJP-BBRMVZONSA-N	364.442	2.375	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)/C=C\c2ccc(S(C)(=O)=O)o2)c1	1595806385	JBSAXBBTQDPKIQ-OFSNVTPPSA-N	365.407	2.288	10	10	FECE	
CC(C)COC[C@H](O)CN[C@H](C)c1ccc(N2CCC(O)CC2)cc1	151409006	UBLGMUAEESJVNS-OXQOHEQNSA-N	350.503	2.332	10	10	FECE	
C[C@H](NCCNC(=O)c1ccccc1O)c1ccc(N2CCOCC2)cc1	154641628	HTFKRSRARLJDTL-INIZCTEOSA-N	369.465	2.309	10	10	FECE	
Cc1ccc(C)n1[C@H](CC(=O)OC[C@H]1CNC(=O)CO1)c1ccc(F)cc1	1852169211	ZAHSGFOSYHSGDG-QZTJIDSGSA-N	374.412	2.282	10	10	FECE	
Cc1cccc(N2CCN(C(=O)CNCc3ccc(N(C)C)cc3)CC2)c1	1857865666	YJYCKUPSFJOPOA-UHFFFAOYSA-N	366.509	2.499	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNCc1ccc(F)cc1O	1971624539	QTZYFIFJGBNPJH-OAHLLOKOSA-N	353.438	2.172	10	10	FECE	
CCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)COc1ccc(N)cc1	2044209609	GRJKEWFXFRDDDB-CQSZACIVSA-N	351.447	2.457	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CCN(CC(=O)Nc3ccc(N)cc3)C2)C1	2106767742	QIADOASLBUWTSK-UHFFFAOYSA-N	360.458	2.150	10	10	FECE	
CC(C)N(CCNC(=O)OC(C)(C)C)c1cc2c(cc1N)OCC(=O)N2	2106817450	BJRDUYXPBVZAOE-UHFFFAOYSA-N	364.446	2.339	10	10	FECE	
C[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(O)[C@@H](N)c1ccc2c(c1)CCN2C	2227162086	YMKYITZZSBZGLT-VOWSPCBNSA-N	361.486	2.439	10	10	FECE	
CC1=NN(c2ccc3nncn3n2)C(=O)C1=CNc1ccc(Cl)cc1	2296895159	UZDFGHJGFGYXLD-UHFFFAOYSA-N	353.773	2.496	10	10	FECE	
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)OCO4)C2=O)cc1	2297315988	BUBHMAYPIGEYLF-UHFFFAOYSA-N	366.329	2.090	10	10	FECE	
CCOc1ccccc1C=C1C(=O)NC(=O)N(c2ccc(O)cc2)C1=O	2297578578	BVAGJMJLHXLYCC-UHFFFAOYSA-N	352.346	2.457	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Nc1c(N)cccc1C(N)=O	2329646903	YJBFBSQFXHGMQH-GVARAGBVSA-N	360.458	2.471	10	10	FECE	
COC[C@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	103381679	RCVUGPFLHJSTQM-LBPRGKRZSA-N	360.376	2.441	10	10	FECE	
Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3c(C)nn(C)c3C)C2=O)c1C	59858293	AGEYBZCMUOISQN-ZROIWOOFSA-N	367.409	2.233	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H]3C[C@H](C)N(C4CC4)C3)CC2)cc1	175559925	SVOUUMPFSRQJFV-HOTGVXAUSA-N	358.486	2.152	10	10	FECE	
COc1ccc(C(=O)NC2=N[C@@H](c3ccc(C)cc3)CC(=O)N2)cc1OC	20924363	VMPJASORTRMDCW-OAHLLOKOSA-N	367.405	2.359	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCCN(C)C3CCCC3)CC2)cc1	170927239	XUJRPZJDTRBWLX-UHFFFAOYSA-N	360.502	2.401	10	10	FECE	
COc1ccc(N2CCN(C(=O)NC[C@@H](C)CN3CCCC3)CC2)cc1	80049893	WKLZHFXCASHYCR-QGZVFWFLSA-N	360.502	2.259	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C(C(=O)N3CCc4cc(O)c(O)cc4C3)[C@@H]2C1	2366909536	JSXVVVAJXBRESX-ZIAGYGMSSA-N	374.437	2.095	10	10	FECE	
CN(C)c1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)nc1	193858707	JTPOPLCMBADMCF-UHFFFAOYSA-N	373.432	2.445	10	10	FECE	
CC(=O)N(C(=S)Nc1ccc(S(=O)(=O)O)cc1)c1ccc(N)cc1	243669538	PDDQVDWHTQXRGW-UHFFFAOYSA-N	365.436	2.265	10	10	FECE	
COc1ccc(O)c(CNC(=O)NC2CCN(c3ccccn3)CC2)c1	363412440	ZFEDYGIVVJKJJT-UHFFFAOYSA-N	356.426	2.264	10	10	FECE	
C[C@H](NC(=O)C(=O)N1CCC[C@@]2(CCCOC2)C1)c1ccc(N(C)C)cc1	807677755	SLHUYQKVMDGCQM-HRAATJIYSA-N	373.497	2.349	10	10	FECE	
CCN(CC)CCS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	810043586	YLTNFXZGQUEWQE-UHFFFAOYSA-N	353.532	2.389	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)N(C)Cc3cc[nH]n3)cc2F)CC1	732704493	WPLCFWMTVPZGHE-UHFFFAOYSA-N	374.464	2.032	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCN([C@@H]3CCNC(=O)CC3)CC2)cc1	835053890	FUWYRDGJPKYCRA-XQQSMPNESA-N	356.514	2.052	10	10	FECE	
C[C@H](NS(=O)(=O)[C@H]1CCO[C@H](C)C1)c1ccc(N2CCOCC2)cc1	830200550	NKJBUHGJOKRTQH-VKJFTORMSA-N	368.499	2.071	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)c3ccc(OC)cc3)C2)cc1	849416254	NIPKACWQTNCVHJ-CQSZACIVSA-N	362.451	2.261	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3C[C@@H]4[C@H](C3)C4(F)F)C2)cc1	845267604	HKAUYBOUILTLTK-WQVCFCJDSA-N	351.397	2.428	10	10	FECE	
COc1ccc(N2CC[C@@H](CNS(=O)(=O)[C@H]3COC(C)(C)C3)C2)cc1	859196134	LVSHATIDBGYGLN-WMLDXEAASA-N	368.499	2.008	10	10	FECE	
COC[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)C1CCOCC1	852467320	CAVCHPRJJKRNBW-SFHVURJKSA-N	361.486	2.310	10	10	FECE	
Cc1cc(-c2nnc3n2CCS(=O)(=O)CC3)c(C)n1-c1ccccc1	865213690	FUZGSINWFIBMOW-UHFFFAOYSA-N	356.451	2.324	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)Cc3cnn4c3CCCC4)C2)cc1	868955674	OANZEPLCGLPAGN-INIZCTEOSA-N	368.481	2.413	10	10	FECE	
COc1ccc(N2CCC(N3C(=O)N4C[C@@H](OC)C[C@@]4(C)C3=O)CC2)cc1	865302115	NREZCVLPIURRJT-PXNSSMCTSA-N	373.453	2.106	10	10	FECE	
O=C([C@H]1CCCN(Cc2c(O)ccc3ccncc23)C1)N1CCOCC1	874076751	ZNDWJBIGMNVJRC-INIZCTEOSA-N	355.438	2.011	10	10	FECE	
CCOC(=O)[C@@H](CC1CC1)NCc1ccc(N2CCN(C)CC2)c(F)c1	1119246682	BYIMJDUGVXEHSL-GOSISDBHSA-N	363.477	2.399	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ncc(C)cc1O	779051743	ZZZAVIPUNQTMNL-UHFFFAOYSA-N	364.785	2.270	10	10	FECE	
COc1ccc(O)c([C@H](C)Nc2ccc3c(c2)CN(CC(N)=O)CC3)c1	788610344	SVRIQSUVURRXRC-ZDUSSCGKSA-N	355.438	2.417	10	10	FECE	
C[C@H](NC(=O)[C@@]1(CO)CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O	1877570880	TUMJRNLAEKIJQT-DJJJIMSYSA-N	364.442	2.189	10	10	FECE	
NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cc(Br)cc(F)c1O	894537069	HETIKMXAJJKNLW-WLTAIBSBSA-N	357.223	2.380	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2ncccc2o1	1153665070	WGPCAEZIOUAAMX-ZDUSSCGKSA-N	370.361	2.143	10	10	FECE	
CN(C)c1ccc(CN2CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C2)cc1	1963325155	KDBMJAKPTDNMBU-LJQANCHMSA-N	363.458	2.306	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H]4CCC[C@H](C3)C4O)C2)cc1	1327762107	RHOYZUBFCFBKDZ-IJOZJFQKSA-N	359.470	2.076	10	10	FECE	
C[C@@H](NC(=O)C(=O)N1CC[C@]2(C1)CC2(F)F)c1ccc(N(C)C)cc1	1261536996	FEJZSQBLTSYTEF-SJKOYZFVSA-N	351.397	2.188	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C3CCC(NC(C)=O)CC3)C2)cc1	1347269164	JRWWDJJBILMGFT-OFLPRAFFSA-N	359.470	2.085	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)c3cnn4c3NC[C@H](C)C4)CC2)cc1	1263770241	YWBKVWNXOSGGNZ-HNNXBMFYSA-N	369.469	2.306	10	10	FECE	
Cc1cc(C(=O)N2CC(O)(c3nccn3C)C2)c(C)n1-c1ccc(F)cc1	1350266754	MEDNLQKGNITPCT-UHFFFAOYSA-N	368.412	2.310	10	10	FECE	
CCn1cccc1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	1518980057	KTUGYNPWIAWKSI-INIZCTEOSA-N	354.454	2.140	10	10	FECE	
Cc1cc(-c2nnc(N(C)Cc3ccccc3O)n2C[C@H]2CCOC2)n[nH]1	1519764739	OSUAWOIJEWNZKC-CQSZACIVSA-N	368.441	2.355	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NC[C@H](O)c1ccccc1Br	1451426518	ZXBKSQUCRVSBBQ-HNNXBMFYSA-N	366.211	2.253	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1	1297562927	SSOCAXSNOVRGCB-HNNXBMFYSA-N	351.355	2.136	10	10	FECE	
CCc1nc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)c(C)o1	1535157453	WXBOLJOCUOTOSJ-UHFFFAOYSA-N	370.453	2.177	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](NC(N)=O)C(C)C	1465851332	QIVPKXJOHJQOBV-ZDUSSCGKSA-N	372.263	2.196	10	10	FECE	
CC(C)CN1CCC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	1626154757	QPKLQZNPUYDJPD-LJQANCHMSA-N	363.477	2.399	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)Cc1ccc(O)c(O)c1	1625721143	JFVKJUCLIGDPBZ-BETUJISGSA-N	364.442	2.497	10	10	FECE	
Cn1cc(C2=NO[C@H](C(=O)NCc3c(O)ccc4ccccc34)C2)cn1	1635968611	DZDZPEAWSZGRGI-SFHVURJKSA-N	350.378	2.088	10	10	FECE	
Cc1cccc(-c2nnc(S)n2CC(=O)NCc2ccc(O)cc2O)c1	1630302313	XHNHTFCAGUETRY-UHFFFAOYSA-N	370.434	2.270	10	10	FECE	
Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)c2ccc(N=NC(N)=O)cc2)cn1	1631011854	WAPMUYMABCCFGU-HNNXBMFYSA-N	368.397	2.460	10	10	FECE	
CS(=O)(=O)c1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)ccc1F	1640736211	JUZJEMBDROBFIR-CLTKARDFSA-N	351.355	2.292	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)/C=C/c1ccc(O)c(O)c1	1643245120	JSPRNVZIQNEFLE-CSKARUKUSA-N	371.389	2.409	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2C(=O)NCCc1ccc(O)c(O)c1	2124152172	FRJNHCZPSSWODN-WWGRRREGSA-N	362.426	2.012	10	10	FECE	
O=S(=O)([C@@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1)N1CCCC1	160451227	QLUCEFRFQYRLBO-GOSISDBHSA-N	364.511	2.271	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(CNC(=O)c2cccc(O)c2O)C1	2136066501	PXWXBQNNJHAFKK-CWTRNNRKSA-N	362.426	2.475	10	10	FECE	
CC(C)(C)OC(=O)N1CC=CC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	1968739753	WAHUBZKCXDOFSQ-CQSZACIVSA-N	362.426	2.322	10	10	FECE	
C[C@H](c1cc(Br)ccc1O)N1CC[C@@H]2CS(=O)(=O)C[C@H]21	2151233283	RTVBNTYAYYDKQB-GIPNMCIBSA-N	360.273	2.335	10	10	FECE	
CCOc1cc(C=C2SC(=S)N(NC(C)=O)C2=O)ccc1OC	2040444461	JUANDEWPYARCLE-UHFFFAOYSA-N	352.437	2.346	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cccc(O)c1O	762574353	XXOOYYIRCZBVAD-AAEUAGOBSA-N	350.415	2.473	10	10	FECE	
O=C1CC(=O)N[C@](c2ccc(N3CCOCC3)cc2)(c2ccsc2)C1	2069386073	IZVCVGFBUPOAFX-LJQANCHMSA-N	356.447	2.307	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2C[C@H]2[C@@H]1CNC(=O)OC(C)(C)C	2198973572	AINDTOTUNWFOCW-GFOFROLCSA-N	374.485	2.441	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NS(=O)(=O)Cc1ccc(N)cc1	2044243946	OJRFSUJWFYKKPO-HUUCEWRRSA-N	369.487	2.134	10	10	FECE	
CC(C)(C)OC(=O)N[C@](C)(C(=O)N1CC[C@H](CN=[N+]=[N-])C1)C(C)(C)O	2060640533	WJLDUTVKDUBGJD-BDJLRTHQSA-N	355.439	2.200	10	10	FECE	
COC1(C(=O)N2CCC(CN=[N+]=[N-])CC2)CN(C(=O)OC(C)(C)C)C1	2060641507	KENGAXMJVRQRRT-UHFFFAOYSA-N	353.423	2.171	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@]1(CNC(=O)OC(C)(C)C)CCCOC1	2060615355	NJIGJWVFMKXACF-INIZCTEOSA-N	355.439	2.467	10	10	FECE	
COCC1(NCc2ccc(OC)cc2O)CN(C(=O)OC(C)(C)C)C1	2070570291	AFTCHNPWUZSLRG-UHFFFAOYSA-N	352.431	2.126	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(CC(=O)C(=O)C[C@H]2C[C@H](N)C2)C1	2086349839	HCPQFBXEEJAIJL-MNUAXYBXSA-N	350.459	2.289	10	10	FECE	
O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc2c(c1)OCO2	2293270327	QYVDCJXFYUVUGI-UHFFFAOYSA-N	370.361	2.386	10	10	FECE	
COc1cccc(C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c1	2296706784	SGSJXGMNROGENM-LLVKDONJSA-N	369.489	2.084	10	10	FECE	
CN(c1cc2c(cc1N)OCCO2)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F	2343622995	XETCVDPTXYIVLK-BXUZGUMPSA-N	367.421	2.434	10	10	FECE	
Cc1ccccc1CC(=O)N1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1	170914460	JDYPPNLRODYBBO-UHFFFAOYSA-N	369.421	2.496	10	10	FECE	
O=C(Nc1ccc(Br)c(C(=O)O)c1)c1cc(O)nc(O)c1	132323590	ZCTCNJIXBDBZBA-UHFFFAOYSA-N	353.128	2.206	10	10	FECE	
COc1ccc(N2CCN(c3cc(C(=O)NC(C)(C)C)ncn3)CC2)cc1	242860285	GEVIUHWJOBBYSU-UHFFFAOYSA-N	369.469	2.340	10	10	FECE	
CCN(CC)C(=O)c1cc(N2CCN(c3ccc(OC)cc3)CC2)ncn1	243104462	JCWBSKLXHIYXMI-UHFFFAOYSA-N	369.469	2.294	10	10	FECE	
CN1CCCc2cc(CNC(=O)[C@]3(N)[C@@H]4CCCO[C@@H]4C3(C)C)ccc21	364200779	LAKWHVGKKVKTBH-PLMTUMEDSA-N	357.498	2.218	10	10	FECE	
CCn1c(O)nnc1C1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1	370339305	HGKWPBXOEPXCDW-UHFFFAOYSA-N	362.405	2.431	10	10	FECE	
CS(=O)(=O)N1CCCC[C@H]1CNCc1cc(Cl)cc(F)c1O	809710065	MIDFSVRBOKQMGW-LBPRGKRZSA-N	350.843	2.088	10	10	FECE	
COc1cnccc1[C@H](C)NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	807177630	CDTNSYBYULCWAD-KBPBESRZSA-N	370.453	2.211	10	10	FECE	
CN[C@@H](c1ccc(N(C)C)cc1)c1c(CNC(=O)OC(C)(C)C)nnn1C	2163141334	TUDVIBMBGRBAPT-INIZCTEOSA-N	374.489	2.215	10	10	FECE	
O=C1N[C@@H](CF)C(=O)N1C1CCN(c2ccc(OC(F)F)cc2)CC1	806672351	ZPEMOZKWKATVDZ-ZDUSSCGKSA-N	357.332	2.147	10	10	FECE	
C[C@H](NC(=O)CO[C@H](C)c1nccn1C)c1ccc(N2CCOCC2)cc1	805170116	AHAFWGNZTYNHFH-JKSUJKDBSA-N	372.469	2.212	10	10	FECE	
O=S(=O)(CC[C@@H]1CCOC1)NCc1cc(Br)ccc1O	815044436	CHWBHFLGIHCPPQ-JTQLQIEISA-N	364.261	2.001	10	10	FECE	
Cc1noc(C)c1CO[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1	828510620	CTLFVXYZSMUIEL-LLVKDONJSA-N	350.346	2.273	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H]3CCn4ccnc43)C2)cc1	823655617	PRBJNLQWSIASJY-WMLDXEAASA-N	355.442	2.162	10	10	FECE	
C/C(=C\C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)CN1CCOCC1	901178350	VZMIUZBZGIIGMA-XEYRCQSKSA-N	374.481	2.178	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCCN(c2ncccn2)C1	734524887	DUBJFFSHLCUOIX-QGZVFWFLSA-N	368.485	2.319	10	10	FECE	
COc1cc(Br)cc([C@H](C)NCC(=O)NCC(F)F)c1O	848549540	QTWCMUWGQMPPCA-ZETCQYMHSA-N	367.190	2.195	10	10	FECE	
Cc1nn(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c(=O)o1	849982959	NGZDPPFHAVEITO-UHFFFAOYSA-N	355.350	2.164	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@]34C[C@H]3COC43CCC3)C2)cc1	923186838	KAOSQAUXTLSOJG-BXTJHSDWSA-N	357.454	2.285	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@H](C)n1ccc(C)n1	854987268	AWCRJGTVTFBAOW-HNNXBMFYSA-N	359.426	2.440	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CCS1	929524985	YVZSXVMEBOHZRK-HOCLYGCPSA-N	361.511	2.303	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@@]3(C2)CC3(F)F)cc1F	1118349579	KFGULAMBBZRPTC-KRWDZBQOSA-N	369.387	2.156	10	10	FECE	
CCC1(CC)CN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CCS1(=O)=O	775091109	XCNCWBXZKOPWSW-UHFFFAOYSA-N	372.443	2.098	10	10	FECE	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2CC[C@H](C(N)=O)C2)cc1	895600750	FZVIHCSYHZTYNH-SCTDSRPQSA-N	373.497	2.162	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)c1ccc(NCCn2ccnc2)cc1	1137443409	OFSDYYZMUMCPEX-UHFFFAOYSA-N	352.394	2.336	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CC(OCCCOc2ccccc2)C1	1137128220	DANPPUQOVIRBFI-UHFFFAOYSA-N	357.406	2.337	10	10	FECE	
Cc1c(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)nnn1C(C)C	796651991	WHSMQWOPXZLBMM-UHFFFAOYSA-N	373.457	2.049	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCC(O)(Cc2ccc(F)cc2)CC1	1154614305	QFCHCBAUYSYXOK-UHFFFAOYSA-N	359.397	2.376	10	10	FECE	
Cc1cc(C(=O)N2CCN(C)C[C@@H]2CO)c(C)n1-c1cccc(Cl)c1	1168538097	NZASFCUZEPKUSI-QGZVFWFLSA-N	361.873	2.496	10	10	FECE	
CO[C@@H]1CC[C@H]1N(C)c1nnc(-c2sccc2O)n1C[C@@H]1CCOC1	1345434869	WGKZVQKAUUWZLL-OUCADQQQSA-N	364.471	2.362	10	10	FECE	
COC(=O)c1cc(C(C)=O)c(NC(=O)c2ccc(C3=S=CC=C3)o2)[nH]1	1439224469	CLUOEVPSXNRBFM-UHFFFAOYSA-N	358.375	2.475	10	10	FECE	
COc1ccc(N2CCCN(c3nnc(C)n3CC3(O)CCC3)CC2)cc1	1518308742	KKROUETVIUVBRN-UHFFFAOYSA-N	371.485	2.227	10	10	FECE	
Cc1nnc(N2CCCOCC2)n1Cc1ccc(N2CCSCC2)cc1	1290846678	HJHKWAIKNDSWBL-UHFFFAOYSA-N	373.526	2.415	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1ccc(F)cn1	1466397925	FOUWKVSLABTURJ-UHFFFAOYSA-N	366.776	2.324	10	10	FECE	
COc1cccc(N2CCC(NC(=O)Cc3ccc(O)c(O)c3)CC2)c1	1603527799	JFUBTQLGSMZTRY-UHFFFAOYSA-N	356.422	2.434	10	10	FECE	
CC(C)(C)OC(=O)NCC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1	1542747935	CIMJGCDLTNKFLX-UHFFFAOYSA-N	364.442	2.404	10	10	FECE	
COC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1O	1711486114	GYHVQBGQTISEQL-UHFFFAOYSA-N	370.457	2.446	10	10	FECE	
CN(C)[S@](C)(=O)=NC(=O)c1ccc(NC(=O)c2cc(O)cs2)cc1	1634089981	GDWWPNTYPFBNCH-XMMPIXPASA-N	367.452	2.421	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1ccc2c(c1)nc(O)n2CC1CC1	1647290244	PYGQCAAKXIKXGD-UHFFFAOYSA-N	353.378	2.493	10	10	FECE	
CC(C)(C)OC(=O)NCc1ncc(C(=O)N2CCC[C@H]2CN=[N+]=[N-])cn1	2124505457	LOFZTHSSTXAIIC-LBPRGKRZSA-N	361.406	2.416	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2124539709	YMJGTWVJILXSKY-MELADBBJSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1Cc2nccn2C[C@@H](C(=O)NCCCN=[N+]=[N-])C1	1964879668	JODMSXBWHDKVIB-GFCCVEGCSA-N	363.422	2.067	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CCN2CC(=O)Nc2ccc(N)cc2)C1	2132354907	SORJVSOMLPECRX-CZUORRHYSA-N	360.458	2.149	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3CCCN3c3ccccn3)CC2)cc1	1890117900	YVPBNTMNXPRRFF-LJQANCHMSA-N	366.465	2.408	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(CNC(=O)c2ccc(O)c(O)c2)C1	2136062188	AAAQAMHFOUVYJM-BFUOFWGJSA-N	362.426	2.475	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)[C@@H](N)c1ccccc1O	2004767174	VTSWFDDHYLQAPH-FZMZJTMJSA-N	350.444	2.380	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)NCCc2ccc(O)c(O)c2)C1	270533132	GIVUWXWMPMPJBB-LJQANCHMSA-N	364.442	2.404	10	10	FECE	
CCN(C[C@H](C)NC(=O)OC(C)(C)C)S(=O)(=O)Cc1ccc(N)cc1	2044598765	VXOXLHPVTSPLRD-ZDUSSCGKSA-N	371.503	2.334	10	10	FECE	
CC[C@@H](CN(C)C(=O)COc1ccc(N)cc1)NC(=O)OC(C)(C)C	2053095751	HHFKWYVXXYIZTI-AWEZNQCLSA-N	351.447	2.409	10	10	FECE	
CCCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)NCCCN=[N+]=[N-]	2060611823	YXDWOTWBGWFQPE-CHWSQXEVSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)NC1(CC(=O)N2CC[C@@H](N=[N+]=[N-])C2)CCOCC1	2060616385	ZXWDAXRBLWUFHB-GFCCVEGCSA-N	353.423	2.362	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)NCC1(CN=[N+]=[N-])CC1)C1(O)CCC1	2067739173	FYYDNLHFRGRDCB-LLVKDONJSA-N	353.423	2.001	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)CCO1	2106282212	IXRPSSNHCSRRJO-HUUCEWRRSA-N	364.446	2.463	10	10	FECE	
CN1CCCc2cc(C=C3C(=O)Nc4ccc(S(N)(=O)=O)cc43)ccc21	2297421504	LXICRTBBJYFMNA-UHFFFAOYSA-N	369.446	2.209	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])O1	2312333854	CTEHUBHYIQHUHT-RNJOBUHISA-N	353.423	2.406	10	10	FECE	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cc3c(cc1[N+](=O)[O-])OCO3)C(=O)C2=O	8236605	MFNCQVWUPVUMSA-MSOLQXFVSA-N	374.349	2.227	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CCCC[C@@H]3c3cn[nH]c3)nc12	114202697	OHODHBFGSHOENI-OAHLLOKOSA-N	370.413	2.062	10	10	FECE	
CC[C@@H]1CN(Cc2cccc(Br)c2O)CCN1C[C@@H](C)O	120731581	OWWTYNKFRNWNQG-TZMCWYRMSA-N	357.292	2.432	10	10	FECE	
O=S(=O)(c1cccs1)N1CC[C@@H](CNCc2cc(F)ccc2O)C1	367689971	SSKKQLIAGPXRPW-LBPRGKRZSA-N	370.471	2.393	10	10	FECE	
Cc1ccc(CN(C)C(=O)[C@@H](N)CC(F)F)c(O)c1Br	2380762448	OBHOSJJQGJHMES-VIFPVBQESA-N	351.191	2.404	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)c3nn4c(c3C)OCCC4)C2)cc1	819591190	QHRAJYKBIOJARM-HNNXBMFYSA-N	370.453	2.239	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)C3CC(C)(O)C3)cc2F)C[C@H](C)O1	822613899	OGUWBYHMMHGZEJ-DZZRYSCKSA-N	350.434	2.217	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H](C)[C@H]1CCCO1	907220970	NNYXQEVWFDSUIK-IAQYHMDHSA-N	355.818	2.362	10	10	FECE	
COCCCN(C/C=C/c1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1	835024646	ACJMIOFTBNNWGR-OQBYNLHGSA-N	366.527	2.291	10	10	FECE	
CN(C)c1ccc(/C=C\CN[C@@H]2CCN(c3ccc4nncn4n3)C2)cc1	858243499	JLHKEHABKUTZEL-CWIOURORSA-N	363.469	2.072	10	10	FECE	
C[C@H](NC(=O)c1cc(C(C)(C)N)no1)c1ccc(N2CCOCC2)cc1	852862904	MOEVIZSYLHYNBE-ZDUSSCGKSA-N	358.442	2.196	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@@H](O)C(F)(F)C1	854177008	QREKPPBNLOEMSD-CZUORRHYSA-N	355.429	2.404	10	10	FECE	
Cc1cc(CC(=O)NS(=O)(=O)CCCF)c(C)n1-c1ccccc1	853108146	CTQCMVVBUZGEFO-UHFFFAOYSA-N	352.431	2.442	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1snc(O)c1Cl	856213328	HXLOBFVTQZCOAR-UHFFFAOYSA-N	367.858	2.393	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@@H]1C[C@]12CCOC2	763550664	PHQMHBUICBDUSY-UNMCSNQZSA-N	369.509	2.261	10	10	FECE	
CNS(=O)(=O)C[C@@H]1CCCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1	863340263	JLWDYSLUWDYGNT-CYBMUJFWSA-N	370.515	2.157	10	10	FECE	
Nc1ccc(NC(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)cc1	867966359	OUXLAEHKYZKBNF-UHFFFAOYSA-N	359.451	2.380	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2C[C@H]3COC[C@@H](C2)O3)cc1	861562849	ZWKKGBVMAFCAES-BGYRXZFFSA-N	368.433	2.075	10	10	FECE	
COC(=O)c1coc(/C=C\C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	869227955	DRESHVFJRMXCDZ-LZNQSLFOSA-N	370.405	2.483	10	10	FECE	
O=C(c1cccc(N2CCCS2(=O)=O)c1)N1Cc2cccc(O)c2C1	871199336	WTBPOWIJFDWUQG-UHFFFAOYSA-N	358.419	2.088	10	10	FECE	
CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cc(Cl)cc([N+](=O)[O-])c1O	776013896	OQSRNVQJUUWKQI-OLZOCXBDSA-N	372.805	2.496	10	10	FECE	
CCOC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1	881855066	ORBOQGIVXULFEP-ZWKOTPCHSA-N	373.497	2.034	10	10	FECE	
CC1CCN(C(=O)C2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)CC1	1136328406	JQSDGHUCNJLCEX-UHFFFAOYSA-N	360.454	2.137	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CC[C@H](C(N)=O)C1	896759385	QMJOEOAXJFEMRN-WDEREUQCSA-N	369.259	2.405	10	10	FECE	
CN1CC[C@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)[C@@H]2CCC[C@H]21	796703433	VBDOBKUFXZXBQT-ZIBCJSCZSA-N	370.541	2.351	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCCS(=O)(=O)Cc2ccccc2)cc1	1142131814	CNEKQQMHPQAJTC-UHFFFAOYSA-N	374.422	2.194	10	10	FECE	
Cc1ccccc1[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CCO1	1335573863	SHATWQFVWGBAET-LJQANCHMSA-N	366.417	2.143	10	10	FECE	
Cc1cc(CN2CCN(C(=O)C(=O)OC(C)(C)C)CC2)ccc1N(C)C	1194994530	XWUQEAPMGFWAQF-UHFFFAOYSA-N	361.486	2.047	10	10	FECE	
C[C@H](NC(=O)C(=O)Nc1cc(C2CC2)nn1C)c1ccc(N(C)C)cc1	1344442583	IYGKQGMVLZGQSB-LBPRGKRZSA-N	355.442	2.179	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ncnc(O)c1Br	1440662932	NKUNLRSDYHEMRS-UHFFFAOYSA-N	365.231	2.283	10	10	FECE	
CS(=O)(=O)c1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1	1299721345	HMPHGADWFYRMLC-UHFFFAOYSA-N	356.403	2.274	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](c2nnc3n2CCCCC3)C1	1463894713	BBWPNOBXAVFPSJ-HNNXBMFYSA-N	370.453	2.364	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC(C(=O)OC(C)(C)C)=NO2)c1	1545683980	GJTSDNWANBWJLX-ZUZCIYMTSA-N	364.398	2.065	10	10	FECE	
O=C(NCCCCN1C(=O)c2ccccc2C1=O)c1c(F)ccc(O)c1O	1650805270	ZYIVIJWHIRKOBD-UHFFFAOYSA-N	372.352	2.043	10	10	FECE	
Cn1nccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2124517139	YJWMSCWDVYRWCJ-DGCLKSJQSA-N	363.422	2.287	10	10	FECE	
COc1ccc(Br)c(CN[C@H](C)CC[S@](C)=O)c1O	1964051810	GWIYQLHZDCXBHG-HOGDKLEQSA-N	350.278	2.410	10	10	FECE	
O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)NCc1ccc(O)c(O)c1	159128362	JZYXMLGDBXQXFY-ONNFQVAWSA-N	352.390	2.320	10	10	FECE	
CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1cc(O)c(O)c(O)c1	2132413784	QCMPQDICVIYQDV-NSHDSACASA-N	366.414	2.132	10	10	FECE	
CCN[C@H](c1ccccc1O)[C@H]1Cn2cnnc2CN1C(=O)OC(C)(C)C	2146242777	WPAHBHVSACFTLL-RHSMWYFYSA-N	373.457	2.454	10	10	FECE	
COC1(CNCc2cc(F)cc(F)c2O)CN(C(=O)OC(C)(C)C)C1	2040155497	NDHKWUUOHIFPFY-UHFFFAOYSA-N	358.385	2.396	10	10	FECE	
C[C@@H](COCc1ccccc1)NS(=O)(=O)CCOc1ccc(N)cc1	390425292	MBEGEXPFOKCGBN-HNNXBMFYSA-N	364.467	2.172	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](O)C[C@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060638004	QUWCLNFBSVJHCP-AGIUHOORSA-N	353.423	2.048	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2060639688	KSCCQCYVPUIHGF-QWHCGFSZSA-N	353.423	2.075	10	10	FECE	
COCCN(CC(=O)N1CCC[C@@H](CN=[N+]=[N-])C1)C(=O)OC(C)(C)C	2060632409	AHBFOKFYRBTMBF-ZDUSSCGKSA-N	355.439	2.419	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCCc3cc(N)ccc32)=C[C@H]1O	2200986480	BNZJJKHFAGZVGA-NVXWUHKLSA-N	373.453	2.132	10	10	FECE	
CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@@H]1CNc1ccc(N)cc1	2253666616	HMFAVALCFYEWPL-OAGGEKHMSA-N	351.447	2.330	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Nc1c(N)cccc1C(N)=O	2329646909	YJBFBSQFXHGMQH-UOVKNHIHSA-N	360.458	2.471	10	10	FECE	
COC[C@]1(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C=CCN1C(=O)OC(C)(C)C	2336343159	PJIXKKKKADUVBL-DYVFJYSZSA-N	365.434	2.337	10	10	FECE	
CC(=CCNC(=O)OC(C)(C)C)C(=O)N1CCc2cc(O)c(O)cc2C1	2341194717	XNUDQDPXRYPPTA-UHFFFAOYSA-N	362.426	2.454	10	10	FECE	
Cc1cc(/C=C/C(=O)N2CCN3C(=O)NC[C@H]3C2)c(C)n1-c1ccccc1	176263146	OCKZBRTUEQEXEQ-SGQUHAKNSA-N	364.449	2.343	10	10	FECE	
C[C@@H](NCC1CN(S(C)(=O)=O)C1)c1ccc(N2CCCCC2)c(F)c1	187824438	MVYOJRPTUWRVCO-CQSZACIVSA-N	369.506	2.358	10	10	FECE	
COc1ccc(N2CCC(N[C@@H]3CCC[C@H]3S(C)(=O)=O)CC2)cc1	182764197	CZIRWLDLLQIFPE-QZTJIDSGSA-N	352.500	2.219	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)Nc1nc2ccc(F)cn2n1	85744116	AMJZNWWEQKUZIH-FPYGCLRLSA-N	367.384	2.357	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)N3C[C@H]4CC[C@H]3C4)CC2)cc1	193638515	DUWJESTWSVGXGO-HKUYNNGSSA-N	372.513	2.401	10	10	FECE	
O=C([C@H]1CCCN(Cc2c(O)ccc(Cl)c2F)C1)N1CCOCC1	191206439	BMGFPNSPPQYSOA-LBPRGKRZSA-N	356.825	2.256	10	10	FECE	
CCOC(=O)C[C@@H](C)CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1	255420284	HQHSNMNXECZOKJ-CXOKCQFOSA-N	360.454	2.242	10	10	FECE	
C[C@H](OC[C@H]1CCCO1)C(=O)NCc1cc(Br)ccc1O	804733494	QUDZGRXHZSFADU-GXFFZTMASA-N	358.232	2.355	10	10	FECE	
CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)[C@H](C)C1	807673902	BBPIYRCPZIUDSP-GJYPPUQNSA-N	374.529	2.119	10	10	FECE	
C[C@H]1COC2(CCC2)CN1C(=O)C(=O)NCc1ccc(N2CCCC2)cc1	827157625	FHFDRCAUQVSUCB-INIZCTEOSA-N	371.481	2.073	10	10	FECE	
COC(=O)c1cn(C2CCN(C/C=C\c3ccc(N(C)C)cc3)CC2)nn1	835048783	YSEVOGZZNAIKFE-PLNGDYQASA-N	369.469	2.481	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)N[C@@H]1CC[C@H]2CNC[C@@H]2C1	842016223	TUXGFTOXADDHMK-COPLHBTASA-N	368.275	2.342	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCC[C@]2(C)C[C@@]2(F)Cl)cc1F	846727301	SECMIIVAVHYQSD-SJORKVTESA-N	373.831	2.329	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2ccc(CN(C)C)nc2)cc1	846442063	JDFQNKKRPBBVME-UHFFFAOYSA-N	356.470	2.360	10	10	FECE	
CC(=O)C(=O)COC(=O)c1cc(Br)cc(N2CCCC2)c1	849905792	XQXKCPSNKJGQIC-UHFFFAOYSA-N	354.200	2.364	10	10	FECE	
C[C@H](NC(=O)N1CC[C@H]2COC[C@@H]2C1)c1ccc(N2CCOCC2)cc1	852012557	LXRDXVGHCYQBOH-SZMVWBNQSA-N	359.470	2.262	10	10	FECE	
COc1cccc(CNC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)c1O	759992447	SCRZQMSHSMJFDC-UHFFFAOYSA-N	364.423	2.434	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCC4(CCOCC4)C3)C2)cc1	852455631	VGWLGGCTVRMSEZ-MRXNPFEDSA-N	359.470	2.486	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCc4nn(C)cc43)C2)cc1	855224958	MDGFWDJBCQWBCE-YOEHRIQHSA-N	354.454	2.244	10	10	FECE	
CN1CCN(c2ccc(CNCC3(O)CCC(F)(F)CC3)cc2)CC1	850405551	TTXKREITYJOXRJ-UHFFFAOYSA-N	353.457	2.468	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@]12CCC[C@H]1OCC2	865952249	DXFDGDZKTRDZLK-CTNGQTDRSA-N	358.482	2.471	10	10	FECE	
Cc1cc(Cl)cc(CN2CCC(N3C(=O)O[C@H]4CNC[C@H]43)CC2)c1O	863641843	CXNQBZHURUTCOF-CVEARBPZSA-N	365.861	2.111	10	10	FECE	
CN(C)c1nc(O)cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)n1	765426806	POHPQYPTWOJTBI-UHFFFAOYSA-N	368.393	2.389	10	10	FECE	
O=C(c1ccncc1)N1CCC[C@H](C(=O)N2Cc3cccc(O)c3C2)C1	871203405	ZUWNXYVGMUECCD-INIZCTEOSA-N	351.406	2.182	10	10	FECE	
O=C(C1CN(CC(F)(F)F)C1)N(Cc1ccccc1O)C[C@H]1CCCO1	776345973	MLMSTAXWRPYYGS-OAHLLOKOSA-N	372.387	2.394	10	10	FECE	
COc1cc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n(C)n1	881252615	AHIQILSDWQCQPQ-CQSZACIVSA-N	360.414	2.347	10	10	FECE	
COCCN1CCC[C@@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1	896136950	ADZUJBHLMDMTPL-GFCCVEGCSA-N	350.440	2.153	10	10	FECE	
C[C@H](NC(=O)C(=O)NC[C@H]1CCC2(CCC2)CO1)c1ccc(N(C)C)cc1	1338554662	BIWFMIWEPIGJAF-MAUKXSAKSA-N	373.497	2.395	10	10	FECE	
C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)CC(F)F	1345869183	UXCVPDPXVDGMPO-CYBMUJFWSA-N	351.397	2.087	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1ccc(N(C)C)cc1	1350791216	JITSHWOQLIPPRC-RUAUBTSSSA-N	365.424	2.480	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)N(C)C)cc1	1289600970	XEXJNAOVJBMDRF-SJLPKXTDSA-N	374.529	2.119	10	10	FECE	
CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(N=NC(N)=O)cc1	1440742748	APBTVXICZMXJHI-GWCFXTLKSA-N	363.443	2.279	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3cnc4n3CCCCC4)cc2)CC1	1288334254	DOXSLTOKTZYJNY-UHFFFAOYSA-N	367.497	2.291	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(O)ccc1C	1296054961	OLYBMTWHFXJGCM-HNNXBMFYSA-N	359.378	2.016	10	10	FECE	
NC(=O)[C@@H](C1CC1)N(CC1CC1)C(=O)c1cc2cc(O)c(O)cc2s1	1649049471	XLLVZWVXUKPWAY-MRXNPFEDSA-N	360.435	2.429	10	10	FECE	
CC(C)(C)OC(=O)NCC1(O)CC(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)C1	2124541440	SPXFZFYJZBRYPM-SFYCDEOASA-N	367.450	2.201	10	10	FECE	
CCC[C@@](C)(O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1685610047	UFNZHNAIHMGMEP-PKOBYXMFSA-N	350.507	2.206	10	10	FECE	
CC[C@@H](CN1CCOCC1)NC(=O)N(CC)Cc1ccc(N(C)C)cc1	1687658167	KLCBEHSCGDWENK-SFHVURJKSA-N	362.518	2.395	10	10	FECE	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1[N+](=O)[O-]	206830039	JEQSIHGDNKANEM-YRNVUSSQSA-N	368.392	2.279	10	10	FECE	
CCCN[C@@H](c1ccccc1O)[C@@](O)(CNC(=O)OC(C)(C)C)COC	1921014203	UXAUVTKWUWZZEF-QFBILLFUSA-N	368.474	2.335	10	10	FECE	
O=S1(=O)C[C@H]2CC(NCc3cccc(Br)c3O)C[C@@H]2C1	1974483934	NJOWVVTWGUFKNX-GHMZBOCLSA-N	360.273	2.068	10	10	FECE	
C[C@@H](O)c1ccc(N2CC[C@@H](CS(C)(=O)=O)C2)c(Br)c1	2143672057	MFLWTSWXCNBXJA-GHMZBOCLSA-N	362.289	2.373	10	10	FECE	
C[C@H]1[C@H](C)S(=O)(=O)CCN1c1cc(Br)c(CN)cc1F	2170280476	RXWBPELPKOROMM-IUCAKERBSA-N	365.268	2.059	10	10	FECE	
Nc1ccc(OCC(=O)NCC[C@H]2CN(Cc3ccccc3)CCO2)cc1	380696781	GEKFWHQTKZUBPA-FQEVSTJZSA-N	369.465	2.055	10	10	FECE	
CCN(c1cc(Br)c(CN)cc1F)[C@H]1CCS(=O)(=O)C1	387354981	JJCKIYYWLCWQKJ-JTQLQIEISA-N	365.268	2.060	10	10	FECE	
CC(C)(C)OC(=O)N1CCN([S@@](C)(=O)=NCc2ccc(N)cc2)CC1	2044671727	INQYVZOWMQEWKC-VWLOTQADSA-N	368.503	2.334	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NCCOc2ccc(N)cc2)C1	2044671756	ITAOZTIYGQKYTI-HWRSSNJWSA-N	369.487	2.413	10	10	FECE	
Cc1cccc(O)c1CNC[C@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C1	2052663853	RAKUHRPRBZXJQF-JLJPHGGASA-N	350.459	2.454	10	10	FECE	
CCc1cccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1O	2052712234	OFCQVVLEZMDSQX-CVEARBPZSA-N	350.459	2.415	10	10	FECE	
CC(C)(C)OC(=O)NCC[C@@H](F)C(=O)NCCc1ccc(O)c(O)c1	2060355629	RFTFCBWJSRKXAB-GFCCVEGCSA-N	356.394	2.009	10	10	FECE	
CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H]1Nc1c(N)cccc1C(=O)O	2108866184	RXALADSJTXHDJF-UMVBOHGHSA-N	365.430	2.450	10	10	FECE	
CC(C)(C)OC(=O)N1CC=C[C@@]1(C)C(=O)NCCc1ccc(O)c(O)c1	2228871799	VFCQTPIIQMEXSH-IBGZPJMESA-N	362.426	2.322	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2253551237	ZIJFHBRLADGDNN-XQQFMLRXSA-N	353.423	2.048	10	10	FECE	
COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1O	2297314401	OLHYRNAWSVFKTH-UHFFFAOYSA-N	354.387	2.232	10	10	FECE	
CO[C@@]1(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])CCN(C(=O)OC(C)(C)C)C1	2312333831	CAXUNXGUUCDWPK-WQGACYEGSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1CN(C(=O)c1cccc(O)c1O)C2	2333675100	YESIRNACZTWRDO-OBJOEFQTSA-N	362.426	2.473	10	10	FECE	
Cc1ccc(CNS(=O)(=O)[C@@H]2CC2(F)F)c(O)c1Br	2352931768	CWHZFMYZMCDVGZ-MRVPVSSYSA-N	356.188	2.290	10	10	FECE	
CN1CCC(CN(C)C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1	108812962	VRXKPRWJKJKAEQ-VMPITWQZSA-N	357.498	2.337	10	10	FECE	
Cc1ccc(C(=O)NCC2(N3CCCCC3)CCN(C)CC2)c(O)c1O	182516648	DHLLZXKRLWPEFC-UHFFFAOYSA-N	361.486	2.086	10	10	FECE	
C[C@H](N[C@H](C)[C@H](C)N1CCOCC1)c1ccc(N2CCOCC2)c(F)c1	247949981	DXFIVBDJFVKNLN-IKGGRYGDSA-N	365.493	2.422	10	10	FECE	
O=C1[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)N1Cc1ccc(N2CCOCC2)c(F)c1	277426259	RLOHXNUTYIGXFS-MPGHIAIKSA-N	373.428	2.225	10	10	FECE	
O=C(CN1CCCN(Cc2cc(Cl)c(F)cc2O)CC1)N1CCCC1	294978888	SFFNQWLGZFALHQ-UHFFFAOYSA-N	369.868	2.315	10	10	FECE	
CCc1nc(CNC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cs1	805194702	RGXIEIWBIKUDLZ-LBPRGKRZSA-N	360.483	2.265	10	10	FECE	
Cc1cc(C(=O)CN2CC[C@H]3CN(C)C[C@H]32)c(C)n1-c1ccc(F)cn1	829998539	LQGZEGGZLRHHHO-MAUKXSAKSA-N	356.445	2.447	10	10	FECE	
COc1ccc(O)c([C@H](C)NC[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1	822818088	JOKWQXPHKOHXIK-QWHCGFSZSA-N	354.447	2.279	10	10	FECE	
COc1cc2c(c(OC)c1)N(C[C@@H]1CCCN(S(C)(=O)=O)C1)CCC2	839656396	JZARUFUHSAUPLD-AWEZNQCLSA-N	368.499	2.128	10	10	FECE	
CCC[C@H](C)N1C[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O	917515715	DHLFNUUWCHUNCV-IRXDYDNUSA-N	373.497	2.381	10	10	FECE	
COc1ccc(N(C)CCN(C)c2nnc(C)n2C[C@H]2CCCO2)cc1	846330406	XHODCBOAJCVECG-GOSISDBHSA-N	359.474	2.347	10	10	FECE	
O=C(NCc1c(O)ccc2c1CCCC2)NC[C@H]1CN(C2CC2)C(=O)O1	847458627	KPBIMAKRYNVVPH-AWEZNQCLSA-N	359.426	2.053	10	10	FECE	
CC[C@H](NC[C@]1(CO)COCC2(CCC2)N1C)c1ccc(N(C)C)cc1	858466219	XJGIOSIMOUISTE-FPOVZHCZSA-N	361.530	2.409	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@](C)(O)Cc3ccccc3)C2)cc1	855232262	RVJLZHBUHJBUHI-LAUBAEHRSA-N	354.450	2.384	10	10	FECE	
NC(=O)C1CCN(c2ccc(CN[C@@H]3CCCN4CCCC[C@@H]34)cc2)CC1	926872560	HBIDKYNLPMFAOB-RTWAWAEBSA-N	370.541	2.495	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H]3CCN(C4CC4)C3)C2)cc1	854302332	ZEEBQBKLMOERRC-MAUKXSAKSA-N	358.486	2.152	10	10	FECE	
Cc1cc(CNC(=O)NC[C@H]2COCCN2C)c(C)n1-c1ccccc1	858837218	LGQDPKMVGVPICU-IBGZPJMESA-N	356.470	2.224	10	10	FECE	
COC(=O)[C@@]1(OC)CCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1	862740698	ITKMABCEKQDGEP-OAQYLSRUSA-N	370.449	2.427	10	10	FECE	
CC1(C)NC(=O)N(Cc2noc(-c3ccc(-n4cccc4)c(F)c3)n2)C1=O	763307603	FLPJLQTYVRAJTO-UHFFFAOYSA-N	369.356	2.497	10	10	FECE	
COc1ccc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)NC(C)=O)cc1	762275746	ZDHMJSGJVSRTGI-QGZVFWFLSA-N	372.421	2.033	10	10	FECE	
C[C@@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCN1CCO	779215278	WUOAVSYPRDSMAP-MRXNPFEDSA-N	362.474	2.084	10	10	FECE	
COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1F	773251076	IPXSONPAGQTVFF-UHFFFAOYSA-N	370.314	2.027	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NCc1cccc(O)c1O	1123888413	IZLZEFMWPYRVCX-CQSZACIVSA-N	350.415	2.360	10	10	FECE	
O=C(CCN1CC[C@@H](F)C1)N(Cc1ccccc1O)C[C@H]1CCCO1	1137727393	ILRGGKUJVLHLDZ-IAGOWNOFSA-N	350.434	2.334	10	10	FECE	
CC[C@@H](Cn1cncn1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	788692819	QYGSJRQLFYLOMN-FQEVSTJZSA-N	368.529	2.379	10	10	FECE	
C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1(O)CCC1)c1ccccc1O	1877573204	IGKACXFIQJPJDL-SWLSCSKDSA-N	364.442	2.378	10	10	FECE	
CN(C)c1ccc([C@H](CN)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)cc1	1881662162	WRJXVINFEABPRV-BZSNNMDCSA-N	360.502	2.446	10	10	FECE	
Cc1cc(C)cc(N2CC[C@H](C(=O)NCc3c(O)cccc3O)C2=O)c1	1304050423	MMQRNDIWYWOROF-OAHLLOKOSA-N	354.406	2.384	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C3CC3)nn2C)cc1	1328107819	NVAGBCKUNLRMOH-UHFFFAOYSA-N	369.469	2.399	10	10	FECE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	1262110616	IZCINODOFSEGDH-RPTUDFQQSA-N	355.482	2.297	10	10	FECE	
NC(=O)c1ccc(CC(=O)Nc2c(-c3ccccn3)nc3ccccn23)cn1	1515042637	ISINDQDZDMHDRA-UHFFFAOYSA-N	372.388	2.071	10	10	FECE	
O=C(CCC(=O)Nc1c(F)cccc1F)NCc1ccc(O)c(O)c1	1294871073	OOSKYNWDEYLMRG-UHFFFAOYSA-N	350.321	2.411	10	10	FECE	
O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N1Cc2cccc(O)c2C1	1469973376	AOMKOPKYSQBVQU-UHFFFAOYSA-N	353.338	2.402	10	10	FECE	
CCCNC(=O)Cn1c(C)nnc1N(C)Cc1ccc(N2CCCC2)cc1	1709840632	ZSZDRUUEGYMVCX-UHFFFAOYSA-N	370.501	2.349	10	10	FECE	
CC(C)(C)OC(=O)N1CC=C[C@H]1CNC(=O)CCOc1ccc(N)cc1	1905863624	UQAQGFDTWIXFSV-HNNXBMFYSA-N	361.442	2.329	10	10	FECE	
O=C(CCCOc1ccc2c(c1)CCC(=O)N2)NCc1cc(O)ccc1O	1643879210	FUUDCBWHXPTCPT-UHFFFAOYSA-N	370.405	2.458	10	10	FECE	
CC(C)OCc1nc([C@@H](C)NC(=O)NCc2c(O)cccc2F)no1	1673254674	GEGTUPVEEBDKMG-SNVBAGLBSA-N	352.366	2.400	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[C@@H](Oc2cccnc2)C1	152268467	XNTBZPQOOTYZNC-HXUWFJFHSA-N	368.481	2.259	10	10	FECE	
O=C(CCN1C(=O)CSC1=S)Nc1ccc(Cl)cc1[N+](=O)[O-]	1865768304	JWKYHMCSTSSTRZ-UHFFFAOYSA-N	359.816	2.437	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1(C)C	2132400450	MUXFDSMWJDWEKR-OLZOCXBDSA-N	366.414	2.225	10	10	FECE	
Cc1sc(NS(=O)(=O)c2ccc3nc(O)oc3c2)c(C(N)=O)c1C	1259378000	YBTPNIDJPJLYNH-UHFFFAOYSA-N	367.408	2.111	10	10	FECE	
CN1C(=O)O[C@@H]2CN(Cc3cc(Cl)cc(Br)c3O)C[C@H]21	2176932309	FGBYKQHSBCQXAE-GHMZBOCLSA-N	361.623	2.443	10	10	FECE	
COc1ccc(N2CCC[C@](CO)(NC(=O)OC(C)(C)C)C2)c(N)c1	2044745440	HBTJXLVWKYUQCS-SFHVURJKSA-N	351.447	2.133	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)N2CCC[C@H](N=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060615749	RWTPECYGXDWXKT-XQQFMLRXSA-N	353.423	2.312	10	10	FECE	
COc1ccc(CN[C@]2(CO)CCN(C(=O)OC(C)(C)C)C2)cc1C	2070037411	MPLNNUSJPGUNIC-LJQANCHMSA-N	350.459	2.465	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@@H]1C[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@H]2C1	2079199925	JLBWSFNENMPOEF-AVGNSLFASA-N	353.423	2.170	10	10	FECE	
CC(C)S(=O)(=O)CCN(C)c1ccc(CO)cc1Br	2114070757	UWVLNJBWPITPPA-UHFFFAOYSA-N	350.278	2.201	10	10	FECE	
CO[C@@H]1C(=O)N(C(C)C)[C@@H]1C1CCN(Cc2cccc(F)c2O)CC1	2297646943	YXWOOGNKCXRXNW-AEFFLSMTSA-N	350.434	2.378	10	10	FECE	
C[C@@H]1CN(CC2CCN(C(=O)C=Cc3ccc(O)c(O)c3)CC2)C[C@@H](C)O1	2307986858	ISBPJJFBDKOHOF-HZPDHXFCSA-N	374.481	2.459	10	10	FECE	
C[C@@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1)c1ccccc1O	2343321996	NKGLCZBTBWAOAC-ZIAGYGMSSA-N	363.458	2.168	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](c3nc(C)n[nH]3)C2)c1O	177349977	UCBYDDPYVKUMKP-CQSZACIVSA-N	350.806	2.248	10	10	FECE	
COc1ccc(N2CCCN(C(=O)[C@H]3CCCN3C(=O)C3CC3)CC2)cc1	79180452	WBFYHISCYWWEKA-LJQANCHMSA-N	371.481	2.135	10	10	FECE	
Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)c(O)c1O	192217263	WNLOUYFUOXTIBZ-HNNXBMFYSA-N	358.369	2.076	10	10	FECE	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NCc1cc(Br)ccc1O	804735323	USIWNOCSQAQECM-XPTSAGLGSA-N	357.248	2.322	10	10	FECE	
COCC[C@H](COC)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	812576034	RFWNSEBDCIJDRV-SJORKVTESA-N	366.458	2.134	10	10	FECE	
CCO[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])c(OC)c2O)[C@H]1n1cccn1	816672260	UXWYJMNNGOULPN-NWANDNLSSA-N	362.386	2.014	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)Cc2nn(C)c(=O)c3ccccc23)c1	728985620	ZDEWPCISLCZGKA-LBPRGKRZSA-N	367.405	2.068	10	10	FECE	
C/C(=C\C(=O)NCc1cccc(Br)c1O)CN1CCOCC1	907758761	UEZHIVAEYADVBB-FMIVXFBMSA-N	369.259	2.049	10	10	FECE	
O=C(NCC[C@H]1CCOC1)NCc1cc(F)c(N2CCOCC2)c(F)c1	838547938	IUIFZGILJLBRIO-ZDUSSCGKSA-N	369.412	2.027	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3N)C2)cc1	855223579	AKYSLXAMURBTQX-GFCCVEGCSA-N	356.382	2.194	10	10	FECE	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H]2Cc3ccccc3N(C)C2=O)c1	850500795	KDUVHOSFSDWXQP-MLGOLLRUSA-N	354.406	2.417	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H]3CCCN4CCCC[C@H]34)cc2)C1	924729024	MBSZGFHWXRSUDQ-HMXCVIKNSA-N	370.541	2.495	10	10	FECE	
O=C1c2ccccc2C(=O)N1CCC1=CCN(c2nccnc2F)CC1	858522181	AWINMGJEEKHNOM-UHFFFAOYSA-N	352.369	2.439	10	10	FECE	
O=C(NCCO[C@H]1CC1(F)F)NCc1cc(Br)ccc1O	852527993	PKAIQAJXIDXSQM-NSHDSACASA-N	365.174	2.378	10	10	FECE	
C[C@@H](NC(=O)N1C2CCC1(C(=O)O)CC2)c1ccc(N2CCOCC2)cc1	864520788	GMLRMZSNJAPMHY-FNMUINPESA-N	373.453	2.375	10	10	FECE	
COC1(CS(=O)(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CCC1	866606059	RKSSEPODZCPDNJ-HNNXBMFYSA-N	368.499	2.073	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)CCC(=O)Nc2nnc(C3CC3)o2)c1	761971667	ANNUAAVBMDCAHT-JTQLQIEISA-N	374.397	2.257	10	10	FECE	
CCN1CN(C(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)CC1=O	861305948	COIZKFGWVVCRBC-UHFFFAOYSA-N	353.422	2.097	10	10	FECE	
COc1ccc(N2CCN(Cn3ccc(Br)n3)CC2)cc1	767963995	OGYPSXHVYNQNJZ-UHFFFAOYSA-N	351.248	2.434	10	10	FECE	
CC[C@H]1C(=O)N(CC)CCN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-]	777841671	UHSBFCZSUURPKP-KGXGESDWSA-N	361.398	2.228	10	10	FECE	
COCc1ccccc1S(=O)(=O)Nc1cccc(N2CCOCC2)c1	778560533	USICUSRCVNSRFS-UHFFFAOYSA-N	362.451	2.470	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2cc(O)ccc2O)C1	1176755269	NWAMQLPSGKWIMI-AUUYWEPGSA-N	362.426	2.361	10	10	FECE	
CC[C@H](NC(C)=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	1357323884	QNQSJMBQZTWJQQ-KRWDZBQOSA-N	350.374	2.315	10	10	FECE	
CCN(CC)c1ccc(Cn2c(C)nnc2N(C)[C@@H](C)CC(N)=O)cc1	1515529242	SIPVYHUXAZDUCR-AWEZNQCLSA-N	358.490	2.181	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H]3CSC[C@@H]3C)CC2)c(OC)c1	1478612494	UXDDZYUGOYMRER-ZFWWWQNUSA-N	365.499	2.287	10	10	FECE	
COC(=O)/C=C\c1ccc(N(C)C2CCS(=O)CC2)c([N+](=O)[O-])c1	1472719467	KHYBUABODIMOPK-XQRVVYSFSA-N	352.412	2.128	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)c2nnn3cc(C)nc(O)c23)cc1	1623451434	BEIDTZFLESQEIQ-UHFFFAOYSA-N	368.441	2.257	10	10	FECE	
O=C(CCCN1C(=O)c2ccccc2C1=O)NCc1c(O)cccc1F	1558456403	XMGVFWWQNMHBDQ-UHFFFAOYSA-N	356.353	2.224	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CCC2)n1C[C@]1(O)CCOC1	1554175032	GOJMFCXNYODJMD-LJQANCHMSA-N	358.442	2.039	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@@H](O)C(C)(C)CC)cc2F)CC1	1565645216	WDNSWGIRCFKGLG-GOSISDBHSA-N	365.493	2.381	10	10	FECE	
O=C(Cc1ccc(Br)cc1O)NCc1ccc(O)cc1O	1643103801	GDXGKECHJJXYNL-UHFFFAOYSA-N	352.184	2.425	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C(C)(C)C)n1Cc1cnnn1C	1747750518	SNNGTJVYXHOEHM-UHFFFAOYSA-N	355.446	2.094	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CC[C@H]1C(=O)NCCc1ccc(O)c(O)c1	2124298952	NCAWDJJXDLJAJX-ZIAGYGMSSA-N	364.442	2.307	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2124504497	ZNUGVBKNTMXFTI-DGCLKSJQSA-N	363.422	2.147	10	10	FECE	
CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCCC[C@H](CN=[N+]=[N-])C2)C1	2124512093	JPYSLXMLSZHLDJ-CYBMUJFWSA-N	367.450	2.297	10	10	FECE	
CCCn1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1=O	1861867604	PIOXTKZVQJWVBF-UHFFFAOYSA-N	355.438	2.229	10	10	FECE	
CN(Cc1cc(Cl)cc(Br)c1O)[C@@]1(C(=O)O)CCOC1	708091351	SLXOIVCULGZQCY-ZDUSSCGKSA-N	364.623	2.484	10	10	FECE	
CNC(=O)c1cncc(C=CC(=O)N2C[C@@H](OC)Cc3ccccc32)c1	2069535187	PSQYUGNSHDLTJF-KRWDZBQOSA-N	351.406	2.059	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1CCC1	2059512473	GLHUEQWLWJJYMD-ZDUSSCGKSA-N	350.415	2.202	10	10	FECE	
COC[C@]1(C(=O)N2CC[C@H](N=[N+]=[N-])C2)CCN(C(=O)OC(C)(C)C)C1	2060609879	ARJKQCSNTLJMGH-LRDDRELGSA-N	353.423	2.171	10	10	FECE	
COC(=O)[C@H](CCN[C@H](C)c1ccc(O)cc1O)NC(=O)OC(C)(C)C	2088543016	NWSIYYVOAJDLPZ-RISCZKNCSA-N	368.430	2.205	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NC(=O)CCOc2ccc(N)cc2)C1	2230683662	MZQZWMVEVBRBQR-BFUOFWGJSA-N	361.442	2.163	10	10	FECE	
C[C@H](CNCc1cccc(O)c1O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1	2230089425	AFVOZKDOOYVNPJ-YJYMSZOUSA-N	366.458	2.195	10	10	FECE	
COc1ccc(N2CCN[C@H](C3CC3)C2)cc1I	2254508997	PFTHHGHXATXLKV-ZDUSSCGKSA-N	358.223	2.488	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NCCCCN=[N+]=[N-])CO[C@@H]1C2	2312794964	ROMFUPLGNBIZTM-HSMVNMDESA-N	353.423	2.265	10	10	FECE	
CN1C(=O)COc2cc(N=NN3CCN(c4ccccn4)CC3)ccc21	2330245846	BICRXHXMDWTYNG-UHFFFAOYSA-N	352.398	2.258	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1	181246645	UQRMWUDWPUJVHZ-MWMBUFLZSA-N	356.422	2.113	10	10	FECE	
COC(=O)c1cn(C2CCN(Cc3cc4c(cc3O)CCC4)CC2)nn1	184072581	JOGIXVPVHDMIJC-UHFFFAOYSA-N	356.426	2.096	10	10	FECE	
COCCN1[C@@H](C)CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@@H]1C	124179808	BTWWIHHUXPOAII-GJZGRUSLSA-N	366.481	2.142	10	10	FECE	
Cc1cccc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1	49740705	MZOQJAFSVXCOFQ-UHFFFAOYSA-N	359.495	2.225	10	10	FECE	
CC[C@@H](C)NC(=O)c1ccc(N2CCN(c3ccc(OC)cc3)CC2)nn1	243051312	IFBLMGOFUFOECR-OAHLLOKOSA-N	369.469	2.340	10	10	FECE	
COc1cccc(CNC(=O)Cc2nnn(-c3ccc(C)cc3)c2C)c1O	729859301	MFGMKXFZHACANF-UHFFFAOYSA-N	366.421	2.457	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCC[C@H](n3cc(C(=O)O)nn3)C2)cc1	901523429	FWRJGWLVDVQNBL-RCFWFJCLSA-N	355.442	2.393	10	10	FECE	
C[C@H]1CO[C@@H](C(F)(F)F)CN1CC(=O)NCc1ccc(N(C)C)cc1	839601800	SQOIFEGDMHEGTN-SWLSCSKDSA-N	359.392	2.020	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H]2C[C@@H](C)OC2=O)C1	839779050	QSCFVWXYTMZBQF-PBHICJAKSA-N	369.465	2.228	10	10	FECE	
CC(C)CN(C)CCCNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	846735318	PJHSTZXARPBRPI-MRXNPFEDSA-N	362.518	2.024	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)c1	743654056	CHUSFFVGEFXPEO-HIFRSBDPSA-N	352.456	2.462	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCc4nn(C)cc43)C2)cc1	855224957	MDGFWDJBCQWBCE-WMLDXEAASA-N	354.454	2.244	10	10	FECE	
c1cc(N2CCOCC2)ccc1CN[C@@H]1C[C@@H](N2CCOCC2)C12CCC2	850396318	UFWFOFYSSUTXJS-NHCUHLMSSA-N	371.525	2.256	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc4c(s3)CCNC4)CC2)cc1	852771070	ALYMAJGIELYQKU-UHFFFAOYSA-N	357.479	2.365	10	10	FECE	
O=C(CN1CCN(C2CC2)C1=O)NCc1cc(Cl)cc(Cl)c1O	854475922	XVMVWLTWFZPWPD-UHFFFAOYSA-N	358.225	2.215	10	10	FECE	
CC(C)[C@H](NCC(F)(F)F)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	852792526	YBTOYRBWJQQPSN-GJZGRUSLSA-N	360.424	2.045	10	10	FECE	
CCOC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	869229422	WRJVUFVEMZQEND-XHSDSOJGSA-N	360.454	2.370	10	10	FECE	
COC(=O)c1coc(/C=C/C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	869227957	DRESHVFJRMXCDZ-MVGZEHJDSA-N	370.405	2.483	10	10	FECE	
O=C(c1cccc(S(=O)(=O)NCC2CC2)c1)N1Cc2cccc(O)c2C1	871199053	ROUDCBDADFKHMY-UHFFFAOYSA-N	372.446	2.237	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@]3(C)C[C@H]4CC[C@H]3O4)CC2)c(OC)c1	870167093	AERSIVOGBMKNCC-XFQXTVEOSA-N	360.454	2.310	10	10	FECE	
Cc1cc(Cl)cc(CN2CC(S(=O)(=O)NC3CCCC3)C2)c1O	781921197	OVNYNILMCLUMAG-UHFFFAOYSA-N	358.891	2.400	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CC[C@](OC)(C(F)(F)F)C2)c1O	895578277	YALCVIGAWKZCLH-CYBMUJFWSA-N	350.293	2.462	10	10	FECE	
CO[C@@H](C(=O)N[C@H](C)c1ccccc1O)C1CN(C(=O)OC(C)(C)C)C1	1877567974	QJPCJWTYFCGKQF-MLGOLLRUSA-N	364.442	2.451	10	10	FECE	
COC(=O)CCn1nc(C)c(NC(=O)/C=C/c2ccc(O)c(O)c2)c1C	1169030829	FXNAVGJZVNKSFD-FNORWQNLSA-N	359.382	2.126	10	10	FECE	
COc1ccc(N(C)CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)cc1	1171745854	FCFBURDEAKQCGX-UHFFFAOYSA-N	366.414	2.313	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N1CCCC12CCC2	1262219771	WOQZNMIORMLHKU-UHFFFAOYSA-N	373.522	2.401	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CCO[C@@H](C)C1	1466398028	GQUUONNAZGWPBN-RYUDHWBXSA-N	355.818	2.362	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCc1c(O)ccc2ccccc12	1472085598	WUNOJFAKHMQQOJ-INIZCTEOSA-N	360.410	2.047	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)Cc2ccc(O)c(O)c2)[C@@H](F)C1	1558870328	VVOFGRZERYEZIT-STQMWFEESA-N	368.405	2.104	10	10	FECE	
C[C@H]1CN(c2ccnc(C(=O)NCc3cc(O)ccc3O)c2)C[C@@H](C)O1	1633599302	WTVXRIOZPNWVSW-BETUJISGSA-N	357.410	2.036	10	10	FECE	
COc1ccc(N2CCN(CC[C@@H]3COC(C)(C)O3)CC2)c(OC)c1	1648084391	RRGYXPMMTGJOAY-MRXNPFEDSA-N	350.459	2.367	10	10	FECE	
CC(C)(C)OC(=O)N1CCCN(CC(=O)NCC2(CN=[N+]=[N-])CC2)CC1	2124515561	MBOSFBZKBMSUAE-UHFFFAOYSA-N	366.466	2.136	10	10	FECE	
C[C@H](Oc1ccc(N)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1	1860079389	ZWILGQUTMOZJOG-HNNXBMFYSA-N	354.454	2.427	10	10	FECE	
C[C@H](c1cc(O)ccc1O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O	2136357300	JHYKRKAWMSAZIA-BXUZGUMPSA-N	366.414	2.165	10	10	FECE	
CN1CCNC[C@H]1c1cc(Br)cc(Br)c1O	1951853593	HUZFRJSIVGWXEQ-JTQLQIEISA-N	350.054	2.493	10	10	FECE	
Nc1ccc(-n2ccc(C(=O)NC[C@@H]3CCN3Cc3ccccc3)n2)cc1	716245048	UDRZOMSKWHDMCA-IBGZPJMESA-N	361.449	2.459	10	10	FECE	
CN(C)CCOc1ccc(N(C)CCN2C(=O)c3ccccc3C2=O)cc1	732410498	CBUKRVLLHDJUTH-UHFFFAOYSA-N	367.449	2.359	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(CC(=O)NCc2ccccc2O)CC1	1120389925	JSUGDJIOTDGFNK-UHFFFAOYSA-N	364.442	2.161	10	10	FECE	
Cc1ccc(O)c(CNC[C@@H]2C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c1	2052657487	AIOLDTZEFXHVLN-YSVLISHTSA-N	350.459	2.454	10	10	FECE	
C[C@H](N=c1[nH]nc(CNC(=O)OC(C)(C)C)o1)c1ccc(O)cc1O	2083272299	OKPPBJSGYJIFMG-VIFPVBQESA-N	350.375	2.101	10	10	FECE	
COc1cc(N)c(N2C[C@@H](C)C[C@@H](NC(=O)C(F)(F)F)C2)cc1OC	2106843263	HJNFVICURQTAHZ-VHSXEESVSA-N	361.364	2.179	10	10	FECE	
CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-]	2218744685	ZRMIZPCVYGMWNA-UPJWGTAASA-N	354.455	2.179	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12CO[C@](C(=O)N[C@@H]3CCC[C@H]3N=[N+]=[N-])(C1)C2	2225791400	CYOOAGZTFNWUJO-SKNMWMDOSA-N	365.434	2.408	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1	2288269264	ZXWIWGNLPCUSJR-ARGWCVDVSA-N	374.485	2.442	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1CC(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2312334278	QTBIDUZEQOCAIR-RNJOBUHISA-N	353.423	2.264	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N[C@H]3CCC[C@H]3N=[N+]=[N-])CO[C@@H]1C2	2334184256	UPPSFSUWGGUPDF-NWBJOUOXSA-N	365.434	2.406	10	10	FECE	
CN(C)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1	103770470	QVRKUYXXUWDPHX-FOWTUZBSSA-N	350.378	2.331	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)Cn3nc(C)cc3C)cc2F)CC1	106702494	SOYIKCLEWXPTMA-UHFFFAOYSA-N	373.476	2.097	10	10	FECE	
CN1CCCc2cc(CNC(=O)Cn3cnc4ccccc4c3=O)ccc21	58768751	HNUTWEIQGQGJMF-UHFFFAOYSA-N	362.433	2.095	10	10	FECE	
O=C(OCc1ccccc1)N1CCO[C@@H](CNCc2ccc(O)cc2O)C1	305891389	VPTLNJPRMWEGSA-SFHVURJKSA-N	372.421	2.225	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)c1	181696731	DVYRVPHOEHJHCK-OLZOCXBDSA-N	373.457	2.491	10	10	FECE	
CCOC(=O)C[C@@H](C)N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1	181750270	COFVJBXOLPLMNI-OJXHRBAXSA-N	360.454	2.337	10	10	FECE	
NCc1ccc(N2CC[C@@H](S(=O)(=O)C(F)F)C2)cc1Br	2368712259	IQVXMUQCBSRDNC-SNVBAGLBSA-N	369.231	2.124	10	10	FECE	
CC(C)(C)OC(=O)NC1CCN(CC(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])CC1	2225791220	BTSUZEGLIPOPKP-KBPBESRZSA-N	366.466	2.323	10	10	FECE	
COc1cc(Br)cc(CN2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)c1O	249586147	OIZPQXOHXPYESI-CAOPTARQSA-N	354.244	2.364	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCc2cn[nH]c2)C1	563756273	QRDUTSQUTTXUSO-UHFFFAOYSA-N	365.481	2.490	10	10	FECE	
O=C(C[C@@H](O)Cc1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1	813416374	PBYOQSYFOAYGDD-SFHVURJKSA-N	372.440	2.272	10	10	FECE	
COc1ccc(N2CCC(NS(=O)(=O)N3CCC[C@H](C)C3)CC2)cc1	726600803	JBGAEZYLLBFZNL-HNNXBMFYSA-N	367.515	2.230	10	10	FECE	
COc1ccc([C@@H](CC(=O)NCc2cccc(OC)c2O)NC(C)=O)cc1	729859086	FZGQTVNEPRMTJV-QGZVFWFLSA-N	372.421	2.293	10	10	FECE	
CC(C)(C)OC(=O)NC1CCN(CCNCc2ccc(O)cc2O)CC1	721879103	LZMULOZMQNMKFS-UHFFFAOYSA-N	365.474	2.177	10	10	FECE	
COC1([C@@H](NCc2cc(Br)cc(F)c2O)C(=O)O)CCC1	904050356	MPEXYJNBBATEAA-LBPRGKRZSA-N	362.195	2.406	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N[C@H](CO)c3ccnn3C)c2C)cc1	838061262	RHFGTZQIPZBDOS-GOSISDBHSA-N	368.437	2.300	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1	835053687	ZBHZQZFXCVBQKL-FZMUQLTDSA-N	351.516	2.122	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)C3(C(=O)O)CCOCC3)cc2)CC1	911350348	DCTMNZDJFZLPRG-UHFFFAOYSA-N	360.454	2.421	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C1CC1)[C@@H]1CCCCO1	848938752	QIICRUZOEVCEHD-RBUKOAKNSA-N	373.497	2.175	10	10	FECE	
CC1(CNC(=O)NCc2cc(Br)ccc2O)CCNCC1	841970349	VNRYLXDCLQLJAI-UHFFFAOYSA-N	356.264	2.344	10	10	FECE	
COc1ccc(CNCC2(C3(O)CCOCC3)CC2)cc1Cn1cccn1	922594957	PGMSENLMRSSTQR-UHFFFAOYSA-N	371.481	2.351	10	10	FECE	
COCc1cc(O)ccc1NS(=O)(=O)c1cc(C)c(C(=O)OC)o1	853032561	UOXFVLDFIDAKHA-UHFFFAOYSA-N	355.368	2.027	10	10	FECE	
C[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@](C)(C(F)F)O1	852781858	WJNAQXWROPQPAY-AUUYWEPGSA-N	369.456	2.456	10	10	FECE	
COCCCOC1CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1	754492021	FYHZXTJQLGBXQM-ALCCZGGFSA-N	350.371	2.023	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)NCC[C@@H]1C[C@H]1C1CC1	930199209	ZGXVEJFUDOVKFK-OLZOCXBDSA-N	353.513	2.294	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CNC[C@@H]3CC[C@H]4C[C@@H]4C3)CC2)cc1	863562822	LSCCKVBRDUTERF-XODKDNOYSA-N	373.541	2.204	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cccn(C2CC2)c1=O	869295512	XWZGKFDCHBYPEV-UHFFFAOYSA-N	367.449	2.074	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)NCc1cocn1	768722398	VVWIHNHNTASLMM-UHFFFAOYSA-N	369.469	2.206	10	10	FECE	
CCNS(=O)(=O)c1ccc(C)c(C(=O)N2Cc3cccc(O)c3C2)c1	871199363	PDNQPCFTNJFYKQ-UHFFFAOYSA-N	360.435	2.155	10	10	FECE	
COC(=O)c1ccccc1N(C)CC(=O)NCc1ccc(N(C)C)cc1	778335107	TXRZDGMAPGYFMC-UHFFFAOYSA-N	355.438	2.292	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@@H](c2nccs2)C1	897791453	NDEQLMKPRJMGDL-OAHLLOKOSA-N	372.494	2.150	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCC(O)(c2c(F)cccc2F)CC1	1155139938	LWKDEGODZGIHEJ-UHFFFAOYSA-N	363.360	2.429	10	10	FECE	
C[C@@H](NC[C@]1(NC(=O)OC(C)(C)C)CCOC1)c1cc(O)ccc1O	688534805	FPEYTHVPDQYVSW-KZULUSFZSA-N	352.431	2.432	10	10	FECE	
C[C@H](NC(=O)C(=O)NC[C@@H]1CCC(C)(C)CO1)c1ccc(N(C)C)cc1	1332859847	VJERCFHOWZTDDJ-YOEHRIQHSA-N	361.486	2.251	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3C[C@@H](CO)[C@@H](CCO)C3)c2C)cc1	1348197450	AVHHJYFCVFCEAZ-IRXDYDNUSA-N	372.465	2.166	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)Cn2ncc3cc(C)cnc32)cc1	1538159818	GBJNIXXEEGJATC-UHFFFAOYSA-N	367.453	2.343	10	10	FECE	
O=C(CCNC(=O)c1cccs1)NCc1ccc2cccnc2c1O	1557123183	VNJAQZDJEZLFLS-UHFFFAOYSA-N	355.419	2.438	10	10	FECE	
O=C(CCn1c(S)nc2ccccc2c1=O)NCc1c(O)cccc1F	1639082912	ZBWIMBVEDCUGCC-UHFFFAOYSA-N	373.409	2.236	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1c(C)noc1C	1631531550	VAGOXJSEXGYESZ-UHFFFAOYSA-N	366.801	2.395	10	10	FECE	
O=C(NCc1cc(Cl)ccc1O)c1ncnc(O)c1Br	1639968672	KKDMNDXHWWUZPI-UHFFFAOYSA-N	358.579	2.234	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H](CF)c2ccc(F)cc2)c1	1649179649	YFDXOUBTWYUOFX-CQSZACIVSA-N	370.377	2.343	10	10	FECE	
CCCCC[C@H](O)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1	1586630256	IJHDRGNBZUJDQX-KRWDZBQOSA-N	350.459	2.294	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(C(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2124509650	OOSTUQUMINJEGU-IGCXYCKISA-N	365.434	2.314	10	10	FECE	
CN(C)c1ccc(CN2CCN(C3CN(C(=O)OC(C)(C)C)C3)CC2)cc1	1660615279	BLBZJQLRNFTJJS-UHFFFAOYSA-N	374.529	2.490	10	10	FECE	
CC(=O)NCCCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=S	1858594408	YBNPKRKYHUTXID-RVDMUPIBSA-N	363.508	2.480	10	10	FECE	
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C=C1C(=O)N(C)c2ccccc21	2040474757	RFBQOWHBLFGMLU-AWEZNQCLSA-N	371.462	2.377	10	10	FECE	
CO[C@H]1C[C@@H](CNCc2ccc(O)cc2O)N(C(=O)OC(C)(C)C)C1	2052354709	IGXMQMNYAXMATC-ZFWWWQNUSA-N	352.431	2.212	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](CC(=O)N2CC[C@H](N=[N+]=[N-])C2)O1	2060638908	CFXKULSLLKSFQA-AGIUHOORSA-N	353.423	2.312	10	10	FECE	
C[C@@H]1CCCN(CCNC(=O)C=Cc2ccc(N3CCOCC3)cc2)C1	2297505821	WSEGHDHTANGVBJ-GOSISDBHSA-N	357.498	2.385	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H]1C[C@H]2OCC[C@H]2N1C(=O)OC(C)(C)C	2315987434	SQEGYAONSGKTSM-FRRDWIJNSA-N	353.423	2.312	10	10	FECE	
Cc1ccc(-n2c(C)cc(/C=C/C(=O)N3CCO[C@H](C(N)=O)C3)c2C)cc1	50857020	GGDQTDLSIVWAPH-AIADIJKESA-N	367.449	2.128	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)Cn1ccc(=O)c2ccccc21	173186709	PKBWSUUJMMEBSP-UHFFFAOYSA-N	363.417	2.493	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCN(C(C)=O)C1	175410748	DEGYJMOLHBBIOZ-GFCCVEGCSA-N	369.259	2.372	10	10	FECE	
Nc1ccc(CC(=O)Nc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1	66153947	YQVAHBJRXOAFEY-GOSISDBHSA-N	353.422	2.359	10	10	FECE	
Cc1cccn2c(/N=N\c3ccc(S(N)(=O)=O)cc3)c(C(=O)O)nc12	71581973	HQHVIVQPIJEIKL-HNENSFHCSA-N	359.367	2.404	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)c1snc(O)c1Cl	283022002	MDUOFOOFQGVPRR-UHFFFAOYSA-N	353.831	2.269	10	10	FECE	
CO[C@H]1CCCC[C@H]1C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1	294884728	LEBACXQAXBJSTI-UXHICEINSA-N	373.497	2.177	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Nc3ccc4ncnn4c3)C2)cc1	823693609	JNGYOTIIVSYKIG-CQSZACIVSA-N	352.398	2.138	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3[C@H]4CC[C@H]3[C@@H](CO)C4)C2)cc1	824688118	WEOVXAZKZGYSQV-RRIFGTCXSA-N	359.470	2.076	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3CCC4(CCNC(=O)O4)CC3)ccc21	915390937	VUGMLPOGFSDQTI-UHFFFAOYSA-N	372.469	2.243	10	10	FECE	
COCCNC1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1	846686536	HFNMLAMTDGJNEB-UHFFFAOYSA-N	356.470	2.330	10	10	FECE	
C[C@H](N)c1ccc(CNC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1	842203922	YPKQOHRTJUMVRR-LSDHHAIUSA-N	368.481	2.266	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NCCc2n[nH]c(C)n2)c1O	848543475	FNOJIFXYELJZDL-MRVPVSSYSA-N	355.236	2.483	10	10	FECE	
COc1cccc([C@H](C)N[C@@H](CC(C)C)C(=O)NCCN(C)C)c1O	846160581	RIZUQHLDOXZMGP-HOCLYGCPSA-N	351.491	2.144	10	10	FECE	
C[C@H](NC(=O)c1csc(C(=O)O)n1)c1ccc(N2CCOCC2)cc1	911294124	VMHVGTPDMDLCFO-NSHDSACASA-N	361.423	2.169	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CC[C@@H](CN3CCCC3=O)C2)c([N+](=O)[O-])c1	853946159	ORFPYSDPONYFOR-ZQMJAJRESA-N	373.409	2.230	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]3[C@@H]3C[C@@H]43)cc2)C1	864954904	ZNYTWQPKUNQHLQ-GVLXGFFOSA-N	367.493	2.297	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)NC[C@@H]1CCCO1	768272579	SRWMASMAJVHLHJ-FQEVSTJZSA-N	372.513	2.197	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1n[nH]cc1C(F)(F)F	869295208	NWCOBMWGDPRNIY-UHFFFAOYSA-N	368.359	2.320	10	10	FECE	
COc1ccc(N2CCC(NC(=O)Nc3cc(OC)n(C)n3)CC2)cc1	775908439	LMTZEXYMFSBMCB-UHFFFAOYSA-N	359.430	2.228	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)c2ccc(S(C)(=O)=O)nc2)cc1	1125166149	DTDZUSSWZCNIBY-UHFFFAOYSA-N	361.467	2.261	10	10	FECE	
C[C@@H](NCCC1CS(=O)(=O)C1)c1cc(Br)cc(F)c1O	786948384	GAXXNJYLFYVUMV-MRVPVSSYSA-N	366.252	2.379	10	10	FECE	
CC(=O)N1C[C@H]2[C@@H](NC(=O)NCc3cccc(Cl)c3O)CCC[C@H]2C1	894893200	FLWGTXAZKIFGKI-LZWOXQAQSA-N	365.861	2.492	10	10	FECE	
C[C@H]1CN(CCN(C)C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H](C)O1	897600430	GXDMQVGMIBUSKW-TXEJJXNPSA-N	364.467	2.494	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(F)(F)C3CCOCC3)CC2)cc1	790114084	SJCHLCCWJVIHDH-UHFFFAOYSA-N	354.397	2.406	10	10	FECE	
Cc1ccc(CN(CCO)C(=O)NCc2ccc(N3CCOCC3)cc2)o1	792909015	QKKKHNUKPDHAAS-UHFFFAOYSA-N	373.453	2.129	10	10	FECE	
O=C(C1CN(CC(F)F)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	791394041	YSZNAUWNTWCKQD-HNNXBMFYSA-N	354.397	2.097	10	10	FECE	
CN1CCCc2cc(CNC3(CNC(=O)OC(C)(C)C)COC3)ccc21	707878303	NLEUZVKQCYCYIX-UHFFFAOYSA-N	361.486	2.452	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(C2CCOCC2)nn1C	1346519250	HTOHDSOSLIVZEB-LBPRGKRZSA-N	359.426	2.086	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCN(c2cc(F)ncn2)CC1	1624645263	MAPTWQCRJYHMHL-UHFFFAOYSA-N	374.397	2.204	10	10	FECE	
CS(=O)(=O)C[C@@H](C(=O)NCc1cc(Cl)ccc1O)c1ccccc1	1640924859	WDFFRNVRPGHNOC-OAHLLOKOSA-N	367.854	2.490	10	10	FECE	
COCC(C)(C)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1681680659	YUXRPCKNAMBVJB-QGZVFWFLSA-N	350.507	2.327	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]1NC(=O)CCOc1ccc(N)cc1	2128653274	VMPBVYNZZXNNFF-XJKSGUPXSA-N	363.458	2.457	10	10	FECE	
CC1(CNCc2cc(Br)ccc2O)CCS(=O)(=O)CC1	1967868661	GMXZXIDXYALTOC-UHFFFAOYSA-N	362.289	2.459	10	10	FECE	
O=S(=O)(Nc1ccc(O)c(F)c1)N1CC(OCc2ccccc2)C1	1998738350	KGCODDFNRWJGGN-UHFFFAOYSA-N	352.387	2.089	10	10	FECE	
Nc1ccc(NC(=O)Nc2ncc(I)cn2)cc1	2071559323	ZEZNLSVGUACFET-UHFFFAOYSA-N	355.139	2.307	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-]	2218742338	QNQGXNYMDXQPAA-UMSGYPCISA-N	353.423	2.264	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2218738490	PQYZCAAHIOQGKY-NDBYEHHHSA-N	353.423	2.358	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1C(=O)c1ccc(O)c(O)c1	2278855456	OBMHRCDETVFKLP-NSHDSACASA-N	372.368	2.472	10	10	FECE	
COc1cc(C=C2SC(=S)N(CCC(=O)O)C2=O)cc(OC)c1O	2314842274	LLUBTEFYIJATMP-UHFFFAOYSA-N	369.420	2.085	10	10	FECE	
CN1CCc2cc([C@@H](N)c3cc(I)nn3C)ccc21	2335697507	TYULRTXUBPARNU-CQSZACIVSA-N	368.222	2.065	10	10	FECE	
O=C(Cn1cnc2ccccc2c1=O)NCc1ccc(N2CCCC2)cc1	106168197	TWOFGGIPAUYKMB-UHFFFAOYSA-N	362.433	2.313	10	10	FECE	
O=C(N[C@H]1CCCn2ncnc21)N(Cc1ccccc1O)C[C@H]1CCCO1	176595682	YIDZJJVZEYHWIW-CVEARBPZSA-N	371.441	2.209	10	10	FECE	
CCOCCN1CCN(Cc2ccc(N3CCOCC3)cc2)C[C@@H]1CC	120996150	JHNMWXAPNRJMAG-FQEVSTJZSA-N	361.530	2.456	10	10	FECE	
CC(C)CC(=O)N[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)C(C)C	185388147	WWCMOPRFBXAPQN-FZKQIMNGSA-N	350.459	2.332	10	10	FECE	
O=S(=O)([C@H]1CCN(Cc2c(O)ccc(Cl)c2F)C1)N1CCCC1	191447892	IBXAIGIWMYTLFD-NSHDSACASA-N	362.854	2.185	10	10	FECE	
CC(C)CN(CCC(=O)O)C(=O)/C=C/c1ccc(N2CCOCC2)cc1	190690935	MGZFAMWBFBWDRA-VMPITWQZSA-N	360.454	2.496	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F	281037394	NPTYXPMGFXDOQG-OTYXRUKQSA-N	372.347	2.365	10	10	FECE	
O=C(CSc1cccc[n+]1[O-])NCc1cc(Br)ccc1O	804737927	VNYKGJSCYZGJBR-UHFFFAOYSA-N	369.240	2.197	10	10	FECE	
CN1CCc2cc([C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3cn(C)nn3)ccc21	2166706334	ACBUWNBQFCZBDV-IRXDYDNUSA-N	373.457	2.107	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cc3ccc(O)c(OC)c3)CC2)cc1	294237393	DVBWNDTWUGAERT-UHFFFAOYSA-N	356.422	2.301	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CNCCC3(F)CCC3)CC2)cc1	819313157	YHPVMHCLDOYIFB-GOSISDBHSA-N	365.493	2.050	10	10	FECE	
C[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)c1ccccn1	827580873	WVXKWDRBAOOHJF-HNNXBMFYSA-N	366.465	2.000	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)NCc3cscc3C)C2)cc1	829239089	OOBHGFDGCCPBAX-OAHLLOKOSA-N	373.478	2.076	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Nc3ccc(C(N)=O)c(F)c3)C2)cc1	820857435	XZLXZTOMMZSEMT-ZDUSSCGKSA-N	372.400	2.334	10	10	FECE	
COC[C@](C)(O)CNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C	732699893	DKYGKECXWVYSEC-HXUWFJFHSA-N	359.470	2.333	10	10	FECE	
C[C@@H]1CCCCN1C(=O)CN1CCN(Cc2cc3c(cc2O)CCC3)CC1	913062245	LZDDGDCLGBGQFX-QGZVFWFLSA-N	371.525	2.400	10	10	FECE	
CC(F)(F)CCCS(=O)(=O)NCc1ccc(N2CCOCC2)cc1	913959137	CELQPLGGRZXMPE-UHFFFAOYSA-N	362.442	2.378	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H]3C[C@H]3C3CCCC3)nc12	845347866	XWSAQOZFZCKLHS-KBPBESRZSA-N	373.409	2.481	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN(C[C@@H](C)OC)C(C)C)CC2)cc1	740888034	KZRYRHREBDCUBY-QGZVFWFLSA-N	363.502	2.089	10	10	FECE	
Cc1nn(-c2ccncc2)cc1CNC[C@H](N)c1ccc(N(C)C)cc1	841046061	VKQYUUYTZSPIHW-FQEVSTJZSA-N	350.470	2.431	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3cc(F)ccc3C)C2)cc1	850535971	FZBVUVJEOLPQBL-HNNXBMFYSA-N	371.412	2.476	10	10	FECE	
CCOC1(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCC1	854906492	SMULBRVXWQHSNK-UHFFFAOYSA-N	354.397	2.377	10	10	FECE	
COc1cccc(CNC(=O)NCc2cc(C(F)(F)F)nn2C)c1O	926559758	WTUQGBORGPTBMA-UHFFFAOYSA-N	358.320	2.153	10	10	FECE	
CNC(=O)[C@H]1CCN(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)C1	858906732	PKXRULMJCRVWIS-INIZCTEOSA-N	354.454	2.372	10	10	FECE	
CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@@H](C(N)=O)c1ccc(O)c(O)c1	698467953	JHKVJFQGNCPZSL-IUODEOHRSA-N	366.414	2.040	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](N4CCCC4)C3)C2)cc1	854301005	GBTDYXCTMOMDAR-FUHWJXTLSA-N	358.486	2.154	10	10	FECE	
CCOC(=O)[C@]1(F)CN(Cc2cc3c(cc2O)OC[C@@H]3O)CC12CCC2	853523991	JPBNVNMYFQQWBQ-HNAYVOBHSA-N	365.401	2.075	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)NC[C@H](O)[C@@H]3CCCO3)c2C)cc1	862652306	WVEFQNSJCOXADW-OALUTQOASA-N	358.438	2.372	10	10	FECE	
COc1ccc(N2CCN(C(=O)COC(=O)[C@H]3CCCC34CC4)CC2)cc1	860177882	ZNNBABLESXOEAA-GOSISDBHSA-N	372.465	2.467	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NCc1cn(C[C@@H]2CCOC2)nn1	865604468	WRPKVZABOJVBTB-IRXDYDNUSA-N	357.502	2.410	10	10	FECE	
CCCN(C)CC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	768914313	VSORDYGKFUXBLT-UHFFFAOYSA-N	358.530	2.177	10	10	FECE	
CN(Cc1ccccc1O)C(=O)CCOC1CN(C(=O)OC(C)(C)C)C1	777413990	FLLLSFRAWISGQV-UHFFFAOYSA-N	364.442	2.377	10	10	FECE	
COc1ccc(C(=O)CCC(=O)NCc2ccc(O)c(O)c2)cc1OC	778930286	SIORLMMXTVMPQU-UHFFFAOYSA-N	359.378	2.394	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H](OCCN2CCCCC2)C1	779484394	CRZUUCROSUGLAI-QQOXCAACSA-N	360.454	2.214	10	10	FECE	
OCCOCC1(O)CCN(Cc2cc(Cl)cc(Cl)c2O)CC1	895827106	KCTHLEFMPDGVDQ-UHFFFAOYSA-N	350.242	2.035	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1	1142357989	BBMWRGPUZAYHOT-KBPBESRZSA-N	364.442	2.450	10	10	FECE	
COC1CCN(c2ccc(CN3CCc4nnc(O)cc4C3)cc2)CC1	1307699256	IPPZVCANGAWQFL-UHFFFAOYSA-N	354.454	2.356	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@]3(Cl)C[C@H]4CC[C@H]3O4)CC2)cc1	1445731815	IMLXGTLEKDUDPH-NUJGCVRESA-N	350.846	2.273	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1ccc2c(c1[N+](=O)[O-])OCCCO2	1639444432	LMOVAWIQDDSKCX-UHFFFAOYSA-N	360.322	2.097	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1C[C@]1(N(C)C)CCSC1	1742754029	GUKHBIGIQHXKIE-GOSISDBHSA-N	361.515	2.366	10	10	FECE	
CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N(C)C)c(F)c1	1745898574	PUNHHTHKQRGHNI-UHFFFAOYSA-N	374.464	2.224	10	10	FECE	
CCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)c(F)c1	1695283802	WPLADSSQMLWNHJ-HNNXBMFYSA-N	374.464	2.329	10	10	FECE	
CC[C@@H]1SC(=S)N(CC(=O)Nc2ccc(OC)cc2OC)C1=O	11635658	XACNAHOMHTXJAZ-LBPRGKRZSA-N	354.453	2.281	10	10	FECE	
Cc1nc(N)sc1/N=N/c1cccc(S(=O)(=O)N2CCOCC2)c1	11847416	HDHOXFPRABXWFJ-ISLYRVAYSA-N	367.456	2.470	10	10	FECE	
CCc1cccc(CN=c2nc(CNC(=O)OC(C)(C)C)[nH]n2C)c1O	2126797506	SEHXOJFNYDHTMY-UHFFFAOYSA-N	361.446	2.142	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2CNC(=O)COc1ccc(N)cc1	2138283838	RETBBCDWTJZONQ-WQVCFCJDSA-N	361.442	2.019	10	10	FECE	
COCC1(C(=O)NCc2cccc(C)c2O)CN(C(=O)OC(C)(C)C)C1	2139749988	BGFDSBXVUMDMOR-UHFFFAOYSA-N	364.442	2.200	10	10	FECE	
O=C1NC[C@@H]2CN(Cc3cc(Cl)cc(Br)c3O)CC[C@H]12	2157178814	NHBLRIQMYZJLFZ-KOLCDFICSA-N	359.651	2.376	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H](CC(=O)C(=O)C[C@H]1C[C@H](N)C1)C(F)(F)F	2049784509	MOWJYNXQYFYXKW-KWBADKCTSA-N	366.380	2.440	10	10	FECE	
C[C@@H](C[S@@](C)(=O)=NC(=O)c1cccc(O)c1O)NC(=O)OC(C)(C)C	2054418646	VHUMZTMHQTUZCJ-UXMMLNGASA-N	372.443	2.249	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CCO)(NCc2ccc3c(c2)CCCO3)C1	2087535504	HHEHNFIMMBELCW-UHFFFAOYSA-N	362.470	2.473	10	10	FECE	
C[C@H](CNCc1ccc(O)c(O)c1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1	2230090721	CNUBOPIKZBQNEY-YJYMSZOUSA-N	366.458	2.195	10	10	FECE	
COc1ccc(C=C2C(=O)NC(=O)N(c3ccccc3OC)C2=O)cc1	2296751341	VHADPGFRAUJGCM-UHFFFAOYSA-N	352.346	2.370	10	10	FECE	
CCCCN1CCc2cc(C=C3C(=O)NC(=S)N(CC)C3=O)ccc21	2296938857	BRFJXZNGBQPHFM-UHFFFAOYSA-N	357.479	2.496	10	10	FECE	
Cc1ccc(C(=O)N2CCN(C(=O)C=Cc3ccc(O)c(O)c3)CC2)s1	2307996662	DUONIRJJBDQLQV-UHFFFAOYSA-N	372.446	2.466	10	10	FECE	
Cc1cc(C[C@@H](C)NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n[nH]1	124893430	FUMFNUKTQMECHT-OAHLLOKOSA-N	371.485	2.327	10	10	FECE	
Cc1cc(C(=O)CN2C[C@H](CO)OC[C@@H]2C)c(C)n1-c1ccc(F)cc1	138703005	GKFBNMDYKBXIAX-KBXCAEBGSA-N	360.429	2.498	10	10	FECE	
Cc1cc(C(C)C)nc(N2CCN(C(=O)c3cccc(O)c3O)CC2)n1	193167206	PPAQNBTZZDTIET-UHFFFAOYSA-N	356.426	2.282	10	10	FECE	
CCNCc1ccc(N2CCS(=O)(=O)C[C@@H]2C)c(Br)c1	233533032	BWPXOZJPYCXMNX-NSHDSACASA-N	361.305	2.182	10	10	FECE	
CC(=O)C(=O)COC(=O)c1cc(I)c(C)cc1C	808546517	PFNBXCHKHYQCCM-UHFFFAOYSA-N	360.147	2.223	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](C)Cn2cncn2)CCCC1	651122148	GQZOAYFMTKBKMA-AWEZNQCLSA-N	367.453	2.325	10	10	FECE	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H](O)C1CCC1	827311282	XYJOOEGVKZQGKJ-DOTOQJQBSA-N	352.862	2.287	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)C3(C(F)(F)F)CC3)CC2)cc1	726163307	VXIXWRVNMKUOJW-UHFFFAOYSA-N	371.403	2.276	10	10	FECE	
C[C@@H](C(=O)N(C)Cc1ccccc1O)[C@H](O)CN(C)C(=O)OC(C)(C)C	901054312	WDGDDZPGBYTAIR-CZUORRHYSA-N	366.458	2.215	10	10	FECE	
C[C@H](NC(=O)N1CC[C@H](CN2CCOC2=O)C1)c1ccc(N(C)C)cc1	836405311	CPTPNDCJPDYJOZ-GJZGRUSLSA-N	360.458	2.297	10	10	FECE	
COc1cccc(CNC(=O)NCCCNC(=O)c2ccccc2)c1O	745794227	ZSFJSAJXACXEMN-UHFFFAOYSA-N	357.410	2.020	10	10	FECE	
CC(C)N1CC[C@@H](C(=O)NCc2ccccc2O)[C@@H](c2cnn(C)c2)C1	849566291	ZXTUAAHYAALESE-QZTJIDSGSA-N	356.470	2.256	10	10	FECE	
Cc1cc(O)c(CN2CCN([C@H]3CCNC(=O)CC3)CC2)c(Cl)c1	840951873	KUKGXMKORNPAHD-CQSZACIVSA-N	351.878	2.140	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cccc4nc(CO)[nH]c34)C2)cc1	912292968	QZSXCHSLEXTMDS-CYBMUJFWSA-N	366.421	2.073	10	10	FECE	
C[C@H](CNC(=O)C(=O)NCCc1ccc(N)cc1)c1ccc(F)cc1F	842017242	KQZGFPZSBQILBI-GFCCVEGCSA-N	361.392	2.126	10	10	FECE	
Cc1cc(O)c(CN2CCN(C(=O)CN3CCCC3)CC2)c(Cl)c1	840913899	LMIAVOGDYBBRFF-UHFFFAOYSA-N	351.878	2.094	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccccc3CCN)CC2)cc1F	846673843	GAOCZWWMLMDFTO-UHFFFAOYSA-N	357.429	2.298	10	10	FECE	
C[C@H](NCCCN1CCC[C@@H]1C(=O)N(C)C)c1cc(F)cc(F)c1O	756523248	BIRWKUVFRLVRFN-BLLLJJGKSA-N	355.429	2.264	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCC[C@H](N(C)C)C3)C2)cc1	852223797	SCCYMRDACQQFFO-RYRKJORJSA-N	360.502	2.446	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3C[C@H]4CC[C@H]3[C@@H](CO)C4)C2)cc1	852450383	LASBWJFRXALUQY-MKSNKDDYSA-N	359.470	2.076	10	10	FECE	
COC(=O)[C@@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@H]2CCC[C@@H]21	859951140	JTIGSXOMOWYMCD-QRVBRYPASA-N	373.497	2.032	10	10	FECE	
CC(C)(C)OC(=O)C1(NC(=O)/C=C\c2ccc(O)c(O)c2)CCOCC1	856392779	CANVBSIPZSNWBW-ALCCZGGFSA-N	363.410	2.118	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCc4nc[nH]c4C3)C2)cc1	854981741	ZVYALAYDKPACMX-CABCVRRESA-N	354.454	2.166	10	10	FECE	
COc1cc(Br)cc([C@@H](C)N[C@H](C)C(=O)N(C)OC)c1O	858589179	ZXTSJFWSFQHCDI-RKDXNWHRSA-N	361.236	2.222	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@]3(C4CCCC4)CCNC3=O)C2)cc1	862158871	NATSVGYOYQEITO-HRAATJIYSA-N	371.481	2.087	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)Nc1cccc(N2CCOCC2)c1	761626485	AWTHMMSAIISBCG-UHFFFAOYSA-N	357.410	2.299	10	10	FECE	
Cc1cc(CCNC(=O)C(=O)N(C)CC(F)F)c(C)n1-c1ccccc1	1119067615	JJMFXBYBXKNDAC-UHFFFAOYSA-N	363.408	2.476	10	10	FECE	
CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(N4CCN(C)CC4)cc3)[C@@H]2C1	775739729	RBHAMJVCXOGQSO-NJDAHSKKSA-N	359.514	2.207	10	10	FECE	
COc1ccccc1CN(CCO)C(=O)c1ccc(N=NC(N)=O)cc1	1137641677	NHPIDYBEOPWTDB-UHFFFAOYSA-N	356.382	2.492	10	10	FECE	
COc1ccc(CNS(=O)(=O)c2c(Cl)nc3ccccn23)c(O)c1	795356353	ACABGLSGNVQZJX-UHFFFAOYSA-N	367.814	2.180	10	10	FECE	
CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1CC(=O)NC(C)C	1302847687	NRGVYGPOFKKFKE-UHFFFAOYSA-N	359.474	2.343	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCC1(N2CCOCC2)CC1	1227619205	ROHTYNMVWCWSDU-UHFFFAOYSA-N	372.513	2.293	10	10	FECE	
COc1cc(C(=O)NCc2c(O)cccc2F)c([N+](=O)[O-])cc1OC	1303878118	LIXPNKYFNZTSNN-UHFFFAOYSA-N	350.302	2.387	10	10	FECE	
CCN(CC)[C@H](C)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1227721532	ORLFLHQHTOAOMW-VQIMIIECSA-N	363.550	2.385	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC(C)(C)C(F)(F)F	1326181762	NFQYXVFEGUXJBB-UHFFFAOYSA-N	359.392	2.416	10	10	FECE	
CCCn1c(=O)n(CCC(=O)NCc2cccc(O)c2O)c2ccccc21	1263894557	LNCGSPNOFWZUKL-UHFFFAOYSA-N	369.421	2.331	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@H]4CCCCN34)CC2)c(OC)c1	1634886381	IFLLNUYCQGVTSQ-APWZRJJASA-N	373.497	2.369	10	10	FECE	
O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCc1cc(O)ccc1O	1643879195	FDSNOGWSCCLOCU-UHFFFAOYSA-N	362.769	2.366	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCC[C@H](N=[N+]=[N-])C2)C[C@@H]2OCC[C@@H]21	2124503470	LLLQKKVXEMIPGU-XUXIUFHCSA-N	365.434	2.455	10	10	FECE	
COc1ccc(N2CCn3c(nc4ccccc43)C2)cc1NS(C)(=O)=O	19855505	KDDIXEHUPDSPIN-UHFFFAOYSA-N	372.450	2.437	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NCc2ccc3c(c2)CCCO3)C1	2126907472	NGWDYQUTAZJMFA-DLBZAZTESA-N	362.470	2.472	10	10	FECE	
Nc1ccc(O)c(CN2CC[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1	2129060193	PLFWBUCYIOUPRV-CTNGQTDRSA-N	353.466	2.450	10	10	FECE	
C[C@H](NCc1c(I)cnn1C)c1ccc(O)cc1O	2133347122	SGWVWEBKNVYDMI-QMMMGPOBSA-N	373.194	2.287	10	10	FECE	
COC(=O)C1(NC(=O)OC(C)(C)C)CC(NCc2ccccc2O)C1	1967853334	QFSHOHKHCUUTGH-UHFFFAOYSA-N	350.415	2.081	10	10	FECE	
CCN[C@@H]1C(=O)Nc2cc(N(C)C[C@H](O)COCc3ccccc3)ccc21	1916382194	QCCIVNJKNAQUGE-PXNSSMCTSA-N	369.465	2.303	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CC(C)(C)c1ccc(O)c(O)c1O)C(=O)O	1952438073	SGIHZFRXHGUPII-JTQLQIEISA-N	355.387	2.449	10	10	FECE	
C[C@@H](NCc1c(O)cccc1Br)[C@@H]1CCCS(=O)(=O)C1	2146121873	VQTSTQSSHUGDKC-GHMZBOCLSA-N	362.289	2.458	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCc1ccc(O)c(O)c1	2030123608	OQMJETRYVRFBCT-CZUORRHYSA-N	352.431	2.212	10	10	FECE	
Nc1ccc(CS(=O)(=O)NCc2cnn(Cc3ccccc3)c2)cc1	390408107	CVDTUSIKBWYOOZ-UHFFFAOYSA-N	356.451	2.133	10	10	FECE	
CN(C(=O)OC(C)(C)C)C(C)(C)CNC(=O)c1cc(O)c(O)c(O)c1	2068623341	GDHNOYMUDUQMMS-UHFFFAOYSA-N	354.403	2.179	10	10	FECE	
CN1CCc2cc(CN[C@H]3COC[C@H]3CNC(=O)OC(C)(C)C)ccc21	2097858600	QQQOMPTXKZPWFV-SJORKVTESA-N	361.486	2.308	10	10	FECE	
CNCc1ccc(N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1OC	2204548870	LRTUWURQWYDXEY-QFIPXVFZSA-N	369.509	2.488	10	10	FECE	
Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccccc1F	2294216835	FTVLITBMDRMYPM-UHFFFAOYSA-N	357.410	2.490	10	10	FECE	
CCCCN1C(=O)NC(=O)C(=CNCCc2c[nH]c3ccccc23)C1=O	2296932939	XGZZFBYIOJQILD-UHFFFAOYSA-N	354.410	2.062	10	10	FECE	
COc1ccc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1O	2297327143	JMJHMZKGBQBQMZ-UHFFFAOYSA-N	352.346	2.376	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-]	2312333808	BGTKFRMIPRVGOW-LPWJVIDDSA-N	353.423	2.094	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H]1C[C@H](OC)CN(C(=O)OC(C)(C)C)C1	2315988769	LRMAWFKNMXBWOC-OLZOCXBDSA-N	355.439	2.417	10	10	FECE	
COc1cccc(CN[C@]23CO[C@H](C2)[C@@H](NC(=O)OC(C)(C)C)C3)c1O	2334236223	DUMNAMBMAMBRAL-OHNRDTAOSA-N	364.442	2.315	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCc2cc(O)c(O)cc2C1)C1CC1	2341194404	SJEVVYZZEPERKG-INIZCTEOSA-N	362.426	2.286	10	10	FECE	
CCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(C)C1=O	1822692	JMGVLDZUKHCLQS-PKNBQFBNSA-N	360.464	2.347	10	10	FECE	
COCCOC(=O)CCC(=O)Nc1sc2c(c1C(=O)OC)CCCC2	8568648	KAVOZSVBQTZYIN-UHFFFAOYSA-N	369.439	2.322	10	10	FECE	
O=C(NCc1c(O)ccc2c1CCCC2)NCc1nnc2ccccn12	174726174	KIANYKUQFIFRNF-UHFFFAOYSA-N	351.410	2.313	10	10	FECE	
O=C(c1cc(O)nc(O)c1)N1CC[C@@H](Oc2ccc3ccccc3n2)C1	238901612	RNYNWRHLEBMRTN-CQSZACIVSA-N	351.362	2.335	10	10	FECE	
CC(C)c1noc(CCNC(=O)/C=C\c2ccc(N3CCOCC3)cc2)n1	255882579	PETMSMUXBUNYGY-YVMONPNESA-N	370.453	2.402	10	10	FECE	
Cc1ccc(CNS(=O)(=O)C[C@H]2CCCO2)c(O)c1Br	2380720342	GKMHXYGUTNHRAW-LLVKDONJSA-N	364.261	2.062	10	10	FECE	
CCC(=O)N1CCC[C@H](C(=O)NCc2cc(Br)ccc2O)C1	804735630	BVAUQWHBWBTTJE-NSHDSACASA-N	369.259	2.420	10	10	FECE	
Cc1csc(NC(=O)C(=O)NCc2cc(Br)ccc2O)n1	807385920	URUFDFCUPCHBQQ-UHFFFAOYSA-N	370.228	2.175	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)C3CC(C)(O)C3)cc2F)C[C@@H](C)O1	822613904	OGUWBYHMMHGZEJ-UHWJXQTMSA-N	350.434	2.217	10	10	FECE	
COCc1nccc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)n1	825475817	WBHQPSYBHSCDIZ-CYBMUJFWSA-N	357.414	2.032	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ncnc2sccc12	823291788	JHCPQRMEKFYIFB-UHFFFAOYSA-N	354.435	2.458	10	10	FECE	
CN(C)c1ccc(/C=C/CNC[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1	904012165	QYQBFYYHDBGHLW-MOEXGYKKSA-N	363.458	2.333	10	10	FECE	
C[C@@H](C(=O)N1CCCC1)N1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1	835028640	NVQQXDCNJLJGOZ-GHOSXJJBSA-N	370.541	2.394	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)c1	831219718	FDTPYFIPYVQMFX-RLLQIKCJSA-N	368.433	2.440	10	10	FECE	
O=C(N[C@@H]1CCn2ccnc21)N(Cc1ccccc1O)C[C@@H]1CCCO1	838635138	SEBRAEGAWVQOPQ-JKSUJKDBSA-N	356.426	2.424	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@]12[C@@H]3[C@H]4C(=O)[C@H]1[C@@H]1[C@@H]4C[C@@H]3[C@H]12	840555745	SGMGLBKRECCPMH-FUWSPRQSSA-N	364.489	2.435	10	10	FECE	
CCN(CC)c1ccc(CN2C(=O)N[C@H](c3ccnn3C)C2=O)cc1F	843310138	IFCNCKPNBSDGJD-MRXNPFEDSA-N	359.405	2.199	10	10	FECE	
N[C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2ccc(N3CCOCC3)cc2)C1	844912403	UDVVRZMSNCQHTD-NRSPTQNISA-N	359.514	2.384	10	10	FECE	
COCC1(O)CCN(Cc2c(O)c(C(=O)OC)cc3ccccc23)CC1	758376162	BXWPUVUQFMYXJW-UHFFFAOYSA-N	359.422	2.305	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@@H](NC(C)C)C3)C2)cc1	854301858	VGTULFDRYIAIAH-IAGOWNOFSA-N	360.502	2.446	10	10	FECE	
COc1ccc2ccc(O)c(CN3CCN(S(C)(=O)=O)[C@H](C)C3)c2c1	853564280	MANSHXAPGSXULJ-CYBMUJFWSA-N	364.467	2.020	10	10	FECE	
Cc1nn(C(C)C)c(C)c1S(=O)(=O)NNc1nc2cccnc2s1	857225382	KYLINEBCSRWAKM-UHFFFAOYSA-N	366.472	2.391	10	10	FECE	
NS(=O)(=O)c1cc(CN2CCCc3cc(OC(F)F)ccc32)co1	851824720	KYRZWYSAVMVDRS-UHFFFAOYSA-N	358.366	2.481	10	10	FECE	
CO[C@H](C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCCC1	850038754	PYYXGQBFTXOPIM-IBGZPJMESA-N	362.470	2.459	10	10	FECE	
Cc1cc(CC(=O)N2CCN(CCO)C[C@H]2C)c(C)n1-c1ccccc1	854897412	YQPOKROJVATPIP-QGZVFWFLSA-N	355.482	2.162	10	10	FECE	
C[C@@H](NC(=O)NCCC1(CS(C)(=O)=O)CC1)c1ccc(N(C)C)cc1	852261046	JLIUWCHQZHVXMH-CQSZACIVSA-N	367.515	2.328	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cnn4ccc(C)nc34)C2)cc1	855230952	QXWKINXLHNAXFN-CQSZACIVSA-N	351.410	2.055	10	10	FECE	
O=[N+]([O-])c1cc(CNC[C@]2(CCO)CCOC2)ccc1N1CCCCC1	761974077	SGQQZKLSUUDMIC-IBGZPJMESA-N	363.458	2.464	10	10	FECE	
C[C@H](c1ccccc1)[C@@H](NCc1ccc(N2CCOCC2)cc1)C(N)=O	930537500	BNCPRBPVRYKQHO-OXQOHEQNSA-N	353.466	2.270	10	10	FECE	
O=S(=O)(c1ccc(OCC(F)(F)F)nc1)N1Cc2cccc(O)c2C1	867690768	MGTSMULHSPOOCH-UHFFFAOYSA-N	374.340	2.433	10	10	FECE	
C[C@H]1C(=O)N(Cc2ccc(N3CCN(CC4CC4)CC3)cc2)C(=O)N1C	761926452	DMNYXIONJHMCCM-HNNXBMFYSA-N	356.470	2.001	10	10	FECE	
COc1nn(C)cc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1	789589651	OHYMXVDETKDSBN-UHFFFAOYSA-N	371.441	2.315	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3NC(=O)c4ccccc43)C2)cc1	898580434	KLBQKFWYFTUIQV-LIRRHRJNSA-N	365.433	2.265	10	10	FECE	
C[C@H]1CCN(c2cc(C(=O)OCC(=O)c3ccc(O)c(O)c3)ccn2)C1	784063385	CVDBQJHDUZGISG-LBPRGKRZSA-N	356.378	2.379	10	10	FECE	
Cn1ncc(Cl)c1S(=O)(=O)NCc1ccc(N2CCCC2)cc1	797442482	FIEUHSNDKDKNJS-UHFFFAOYSA-N	354.863	2.152	10	10	FECE	
COC(=O)[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1cccnc1	1141135781	WZGDCYKDQCBJGG-HNNXBMFYSA-N	358.375	2.352	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N(CC(N)=O)CC(C)C)CCCC1	1141452213	AYWGMUMJZMPLBQ-UHFFFAOYSA-N	371.481	2.499	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CC2)n1C[C@]1(C)COCCO1	1314752989	JEQHJXRJTQPAQP-LJQANCHMSA-N	358.442	2.303	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)C3(n4cccn4)CC3)cc2F)C[C@H](C)O1	1334178198	ZFAMIZCQXDNGSM-GJZGRUSLSA-N	372.444	2.441	10	10	FECE	
O=C(C(=O)N1CCCO[C@@H](c2ccccc2)C1)N1Cc2cccc(O)c2C1	1331959411	KLMXIJNXVFUIFN-LJQANCHMSA-N	366.417	2.225	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)NCCCCN=[N+]=[N-]	1963733077	URBIGAQDAGBDQR-QWHCGFSZSA-N	355.439	2.465	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)NC[C@H](O)c2cnc[nH]2)CCCC1	1350418168	HMRYOIIWODYFDE-IBGZPJMESA-N	368.437	2.102	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc(NC(C)=O)cn3)C2)cc1	1528317740	OFIDGGJWPVFZRF-HNNXBMFYSA-N	354.410	2.057	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)/C=C\C(=O)N(C)C	1465850899	MJHXFXVMUJJAGO-FPLPWBNLSA-N	355.232	2.148	10	10	FECE	
CCOC(=O)[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1ccccc1	1638347756	LNBWEDWKIVTLNE-ACJLOTCBSA-N	357.406	2.492	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@H]4C[C@@H](C)CN4C3)CC2)cc1	1631277231	MSPKXMPQOQCJDK-LMMKCTJWSA-N	357.498	2.464	10	10	FECE	
Cc1cc(C)n(CC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c(=O)n1	1633110871	KATNXTYYMAQCGX-UHFFFAOYSA-N	368.481	2.413	10	10	FECE	
CCN1CCN(c2cccc(NC(=O)Cc3ccc(O)c(O)c3)c2)CC1	1634577082	BWEUPQMRJHRAGV-UHFFFAOYSA-N	355.438	2.421	10	10	FECE	
C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1CNC(=O)C1(C)CC1	1573851447	XBGRVCQTJIQVTR-TZMCWYRMSA-N	371.441	2.473	10	10	FECE	
COC[C@@H](Cn1c(C)nnc1N(C)Cc1ccc(N2CCCC2)cc1)OC	1749326318	XGRRIKOVRDQGPC-LJQANCHMSA-N	373.501	2.485	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccco1	1767111988	MEUDZLAJBREVON-OAHLLOKOSA-N	367.409	2.213	10	10	FECE	
COc1ccc(CN[C@H](CNC(=O)[C@@H]2CCN(C)[C@@H]2C)C2CC2)cc1C	1690151375	KIRHUDPKCDUNNT-ATZDWAIDSA-N	359.514	2.328	10	10	FECE	
CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1	1915188124	WFMQGBJRURLEIX-LAUBAEHRSA-N	372.465	2.157	10	10	FECE	
COc1ccc(Br)c(CNC[C@@H](CO)C(F)(F)F)c1O	1967741728	ADIJUXMEGZNYAS-ZETCQYMHSA-N	358.154	2.424	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)c1nc(=NCc2ccc3c(c2)CCN3C)[nH][nH]1	2186673213	YHXKUMXKYNMORQ-GFCCVEGCSA-N	372.473	2.417	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C1	2060619184	JVPCLSJRYXVKAJ-QWHCGFSZSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CCCN2CC(=O)Nc2ccc(N)cc2)C1	2106765510	KRKRMLGZHGDQSA-UHFFFAOYSA-N	360.458	2.293	10	10	FECE	
CN(CCOCCNC(=O)OC(C)(C)C)C(=O)CCc1ccc(N)cc1	2106694096	SENMPTDKUOXGEV-UHFFFAOYSA-N	365.474	2.201	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cc(N)ccc2O)[C@@]2(CCOC2)C1	2106753390	IHLVJPCLZXYRMK-KXBFYZLASA-N	363.458	2.233	10	10	FECE	
CN1CCc2cc([C@@H](N)c3cnn(C)c3I)ccc21	2106856192	WSNOWSUQVKFNMS-CYBMUJFWSA-N	368.222	2.065	10	10	FECE	
[N-]=[N+]=NCCCN[C@@]1(C(=O)O)CN(Cc2ccccc2)[C@@]2(CCOC2)C1	2100065858	CHBOXXAXCUYFQH-ZWKOTPCHSA-N	359.430	2.165	10	10	FECE	
CSc1ncc(CNC2(C(=O)O)CC(NC(=O)OC(C)(C)C)C2)s1	2305046520	QBPPBMCXMJUQNS-UHFFFAOYSA-N	373.500	2.465	10	10	FECE	
COC(=O)c1cn(CN(Cc2ccc(N(C)C)cc2)CC(F)(F)F)nn1	103461517	RAXDEDTYVCWOHJ-UHFFFAOYSA-N	371.363	2.153	10	10	FECE	
CO[C@@H]([C@H](N)Cc1ccc(O)c(O)c1)C(C)(C)NC(=O)OC(C)(C)C	1952911315	RCHLDPRDFVPRRB-DOMZBBRYSA-N	354.447	2.286	10	10	FECE	
COC(=O)COc1ccc(N(C)CC(=O)NCc2ccc(F)c(C)c2)cc1	183813375	PCNXRUUIEDQXCF-UHFFFAOYSA-N	374.412	2.439	10	10	FECE	
COc1ccc(N2CCN(C(=O)CC(=O)NC3CCCCC3)CC2)cc1	243104341	JCUDEQZTJUJRFZ-UHFFFAOYSA-N	359.470	2.183	10	10	FECE	
Cc1cc(/C=C\C(=O)N[C@H]2CCC(=O)NC2=O)c(C)n1-c1ccccc1	255889453	OOSDZUSIAQINQM-PXAMLJHWSA-N	351.406	2.029	10	10	FECE	
O=S(=O)(c1cccs1)N1CC[C@H](CNCc2ccccc2O)C1	375751520	SWSPENUYMIMIMN-CYBMUJFWSA-N	352.481	2.254	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N[C@H](C)C2(S(C)(=O)=O)CC2)cc1	804966428	ACDPOQPPMZCMER-CQSZACIVSA-N	367.515	2.298	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(C(C)(C)O)c2)cc1	806831323	UYCWNVKEMHSOCQ-UHFFFAOYSA-N	355.438	2.235	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCc2nnc(C3CC3)n2C1	815630000	UOCCEKMUGPTEEX-MRXNPFEDSA-N	353.470	2.409	10	10	FECE	
CO[C@H]1COCC[C@@H]1CC(=O)NCc1cc(Br)ccc1O	831932972	OSFNDVWUMNVUJF-YGRLFVJLSA-N	358.232	2.213	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)c1C	848100051	IATUFOSVLJJZLS-UHFFFAOYSA-N	366.421	2.052	10	10	FECE	
O=[N+]([O-])c1cc(CNC[C@H]2C[C@@H]3COC[C@@H]3O2)ccc1N1CCCCC1	922730338	RSKRUWIVXUPINO-MDZRGWNJSA-N	361.442	2.479	10	10	FECE	
C[C@H](N[C@@H]1CNOC1)c1cc(Br)cc(Br)c1O	925861962	JSFAZAIMDCLKOQ-POYBYMJQSA-N	366.053	2.471	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H](C)C(C)(C)OC)CC2)cc1F	925503263	IUEZKNQKVDOEJV-CYBMUJFWSA-N	353.438	2.479	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)COc3cccc(OC)c3)C2)cc1	855231724	LOFRUZACQAYMPW-HNNXBMFYSA-N	356.422	2.478	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCC(=O)c4cccn43)C2)cc1	855227143	WPIJPFORIQVDJW-RDTXWAMCSA-N	353.422	2.409	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3Cc4cccc(O)c4C3)C2)cc1	854020770	MVXNBMUHMKDARL-CVEARBPZSA-N	367.449	2.446	10	10	FECE	
C[C@@H](C(=O)N1CCCC1)N1CCN(Cc2cc3c(cc2O)CCC3)CC1	755940397	WAICKSMQUSOJBM-INIZCTEOSA-N	357.498	2.009	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCC(C4(O)CC4)CC3)C2)cc1	854297777	WSMUOWSWBSAPSZ-INIZCTEOSA-N	359.470	2.220	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3nc(C(C)C)n[nH]3)C2)cc1	854099731	YEEYMLBLYKGPDM-ZDUSSCGKSA-N	358.446	2.015	10	10	FECE	
C[C@@H](N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1cc(F)cc(F)c1O	858488627	IXVBZXYDFNUMBH-ZYHUDNBSSA-N	360.368	2.038	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CN(C)C(=O)c3cccs3)C2)cc1	855230513	DTWUNXFINVKCAN-AWEZNQCLSA-N	373.478	2.224	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCN(CC(C)C)CC3)C2)cc1	854301592	QIFAESIAXAMQMP-QGZVFWFLSA-N	360.502	2.257	10	10	FECE	
Cc1cc(CCNC(=O)N[C@H]2CC(=O)N(C)C2)c(C)n1-c1ccccc1	750633736	CYEGBIOSFPDHLZ-KRWDZBQOSA-N	354.454	2.167	10	10	FECE	
CN(C)c1cc(F)c(CN2CCC[C@H](C(=O)N3CCOCC3)C2)cc1F	862215089	HSWLRVLDDIZXBB-AWEZNQCLSA-N	367.440	2.102	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)[C@@]3(CC(C)C)CCNC3=O)C2)cc1	868955569	BZYLMRGMGYJPQX-HRAATJIYSA-N	373.497	2.190	10	10	FECE	
Nc1ccc(CCNC(=O)NCC2(OCCO)CCC(F)(F)CC2)cc1	861639766	GZLPYDHGEDMCLO-UHFFFAOYSA-N	371.428	2.068	10	10	FECE	
Cc1cc(C(=O)NC[C@@H]2CCO[C@@H]2C(=O)O)c(C)n1-c1ccc(F)cc1	864213101	ZOQYEOWNTDFIIU-GUYCJALGSA-N	360.385	2.453	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCN(C)c1ccncc1	779476183	WXIWOCKSNHUGJY-UHFFFAOYSA-N	368.481	2.403	10	10	FECE	
CCOC(=O)/C(=C\c1cn(Cc2ccc(OC)cc2)nn1)c1nccn1C	871658804	RTEUAYIPEIKDFO-BOPFTXTBSA-N	367.409	2.172	10	10	FECE	
CCN(CC)c1ccc(CNS(=O)(=O)c2ccnn2CC)cc1F	770247635	UJFQBIZDCFCUFH-UHFFFAOYSA-N	354.451	2.367	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](C)NC(=O)OC(C)(C)C	773739609	DYOYOFVPONOTRQ-NWDGAFQWSA-N	352.431	2.448	10	10	FECE	
COC(=O)c1c(CNCc2nnn(C(C)(C)C)n2)c2cc(F)ccc2n1C	895187081	JSJJFFYNJCPIAF-UHFFFAOYSA-N	374.420	2.135	10	10	FECE	
COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(O)c(OC)c2)c1	797820373	USTDATDRLLXFJD-UHFFFAOYSA-N	351.380	2.297	10	10	FECE	
O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	1329064138	YNJPCUYFMWJEHC-UOVPBQLFSA-N	372.465	2.205	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1cnn(-c2cnc3ccccc3n2)c1	1447319121	JBDXDHSWZTZVDV-UHFFFAOYSA-N	361.361	2.408	10	10	FECE	
COc1ccc(-c2cc(C(=O)NCc3ccc(O)cc3O)n[nH]2)c(OC)c1	1451765731	HKPZPJYUZCYOCK-UHFFFAOYSA-N	369.377	2.435	10	10	FECE	
CC(C)N(C)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1O	1541606772	VPHJQBHHIGWUCA-QGZVFWFLSA-N	373.501	2.464	10	10	FECE	
CC[C@H]1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@H]1C	1617360220	LYKIXLPAQVPDPS-RDJZCZTQSA-N	363.477	2.399	10	10	FECE	
CCN(CCNCc1ccc(OC)c(C)c1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21	1715745522	OLPAZYZPJZVEAK-YSDSKTICSA-N	358.482	2.365	10	10	FECE	
CCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1Cc1ccc(N(C)C)c(F)c1	1499243546	NXGKDKMCFUOMHB-DYVFJYSZSA-N	361.465	2.301	10	10	FECE	
COC(=O)CCSc1ncccc1NC(=O)Cc1ccc(O)c(O)c1	1631506337	GYFFLIJFASUQAI-UHFFFAOYSA-N	362.407	2.329	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(F)c(O)c3)cc2)CC1	1632950983	YGKHMWSJTIEFIT-UHFFFAOYSA-N	371.412	2.130	10	10	FECE	
COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c([N+](=O)[O-])cc1OC	1188054	XQTRPYPJLZSUBH-MDWZMJQESA-N	369.333	2.073	10	10	FECE	
CCn1c(=O)n(CC(=O)NCc2cc(Cl)ccc2O)c2ccccc21	1644590731	MPQWNPDAEWRDGC-UHFFFAOYSA-N	359.813	2.498	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOCC[C@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2124539583	XHOIGFFPASWXAL-MGPQQGTHSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2124509476	NPABPXSFJUNTHW-HZSPNIEDSA-N	367.450	2.296	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@]12CCOC[C@H]1CN(C(=O)OC(C)(C)C)C2	2124518560	ZLUAVCKAEBEWCX-DYVFJYSZSA-N	367.450	2.419	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@@H](O)Cc1cccc(C(F)(F)F)c1	1651225801	YUKNANAALJIFTD-HNNXBMFYSA-N	355.312	2.336	10	10	FECE	
CC[C@@H]1OCC[C@H]1NC(=O)N1CCN(c2ccc(OC)cc2OC)CC1	1673540435	YLIHNWOIOWTAHR-WBVHZDCISA-N	363.458	2.103	10	10	FECE	
CCc1c(C(=O)NCc2ccc3c(c2)CCCN3C)[nH]c(C)c1C(N)=O	163891120	HWYVMQWBUKWNSN-UHFFFAOYSA-N	354.454	2.297	10	10	FECE	
C[C@@H](NCCC1(O)CN(C(=O)OC(C)(C)C)C1)c1cc(O)ccc1O	2027289990	RGFIMWWFVSTXJG-GFCCVEGCSA-N	352.431	2.120	10	10	FECE	
COc1ccc([C@@H](C2CC2)n2nc(C3(C)CC3)c(C(N)=O)c2N)c(O)c1	2080039526	WRBBOPFOANKJLI-OAHLLOKOSA-N	356.426	2.329	10	10	FECE	
CN1CCc2cc([C@@H](CNS(=O)(=O)Cc3ccccc3)N(C)C)ccc21	8800836	GWSSKBNNJOEVQU-HXUWFJFHSA-N	373.522	2.401	10	10	FECE	
C[C@@H](CCNC(=O)CCOc1ccc(N)cc1)NC(=O)OC(C)(C)C	2044208000	YDTAQTMBSZLZCS-ZDUSSCGKSA-N	351.447	2.457	10	10	FECE	
CC(C)(C)OC(=O)N[C@@](C)(C(=O)N1CCC(N=[N+]=[N-])CC1)C(C)(C)O	2060639312	GMJVIWGMZXEDEE-INIZCTEOSA-N	355.439	2.342	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N2CCC[C@H](N=[N+]=[N-])C2)C1	2060638370	WEHBEAUBASDZBD-STQMWFEESA-N	353.423	2.314	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CCC[C@H](N=[N+]=[N-])C2)CO1	2060608766	LTHFEORCXYMMJD-FRRDWIJNSA-N	353.423	2.312	10	10	FECE	
CN1CCCc2cc([C@H](N)[C@@H](O)C3(NC(=O)OC(C)(C)C)CC3)ccc21	2106939511	BZQDRSXKTLKUKF-DLBZAZTESA-N	361.486	2.487	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4[C@@H](CO)[C@@H]4C3)ccc(N)c2C1	2090730082	LNBSQDABDZACPH-FOLVSLTJSA-N	359.470	2.237	10	10	FECE	
COCC[C@H](CNCc1cc2c(cc1O)OCO2)NC(=O)OC(C)(C)C	2225570097	XHLURSVFJJEVMW-CYBMUJFWSA-N	368.430	2.140	10	10	FECE	
COc1ccc(Br)c(CN2C[C@@H](N)[C@H](C(F)F)C2)c1O	2236047614	YDCQLDKZPJPPJV-PSASIEDQSA-N	351.191	2.188	10	10	FECE	
CN(C)c1ccc(OC[C@]2(O)COCCN(C(=O)OC(C)(C)C)C2)cc1	2229382807	FYBXUDKDUZKBAR-LJQANCHMSA-N	366.458	2.130	10	10	FECE	
C[C@H]1CCCN(C(=O)C=Cc2cn(C)c(=O)n(C)c2=O)c2ccccc21	2308605273	YMHRWLMUNBQZSH-AWEZNQCLSA-N	353.422	2.028	10	10	FECE	
COc1ccc(O)c(CNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c1	78726281	BLZOFZKZTVIXTK-AWEZNQCLSA-N	360.435	2.383	10	10	FECE	
Nc1ccc(CCNC(=O)Cn2c(S)nnc2-c2cccs2)cc1	152495955	SFEAWPSGDIGXPW-UHFFFAOYSA-N	359.480	2.236	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(F)c(C)c3)CC2)cc1	171385627	IYSXFCMNLUZDCD-UHFFFAOYSA-N	371.412	2.430	10	10	FECE	
Cc1nc([C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)c2ccccc2)n[nH]1	181027987	ZIFUOBCBHDYTMJ-XSFOEPMVSA-N	350.378	2.443	10	10	FECE	
CC(C)(Br)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	228361503	KZBZVLHBTPIKIB-UHFFFAOYSA-N	359.239	2.452	10	10	FECE	
COC(=O)[C@@H]1CCN(Cc2cc(Cl)c(F)cc2O)[C@@H](C(=O)OC)C1	293662595	PRHINPVUCFUPQZ-NOZJJQNGSA-N	359.781	2.111	10	10	FECE	
Nc1ccc(OCC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1	390539501	GUXDSGKDMVPRAT-HXUWFJFHSA-N	369.465	2.055	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N2CC3CC2(CN)C3)CCCC1	662684434	WWMFAHSWYBCNCD-UHFFFAOYSA-N	353.466	2.478	10	10	FECE	
CN1CCN(c2ccc(CNC3(CO)Cc4ccccc4C3)cc2)CC1	771852897	LHBJVPBTMYDODB-UHFFFAOYSA-N	351.494	2.058	10	10	FECE	
C[C@H]1CN(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)C[C@@H](C)O1	805134464	AFARBGBEHADSAK-DTORHVGOSA-N	369.270	2.143	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3CC4(CCCOC4)C3)CC2)cc1	806684073	QDVSFOBVKZDGBN-UHFFFAOYSA-N	359.470	2.486	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1	808513992	ROEJGEVRSAGEQX-IKGGRYGDSA-N	357.406	2.161	10	10	FECE	
Cc1cc(CC(=O)NCCN2CCO[C@@H](C)C2)c(C)n1-c1ccccc1	825161062	YSMTWTCDPNVBJS-KRWDZBQOSA-N	355.482	2.474	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNc3nccn4ccnc34)cc2)C1	826829156	WDQRUVRWIQDYDZ-HNNXBMFYSA-N	350.426	2.043	10	10	FECE	
COc1cc(Br)cc(CN(C)C2(CO)CCOCC2)c1O	827907510	AJCPYFCLCLLBRR-UHFFFAOYSA-N	360.248	2.137	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCN(c3ncccc3C(N)=O)CC2)cc1	835024997	FKHAHWVLJQCRNY-PLNGDYQASA-N	365.481	2.082	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H](CC)CC(F)F)nc12	838402356	GULLWYDKKOKDAJ-SECBINFHSA-N	371.340	2.336	10	10	FECE	
Cc1cc(C(N)=O)cc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	849388004	PBSCRNULBGMQIC-ZDUSSCGKSA-N	361.467	2.199	10	10	FECE	
CN1CCN(c2ccc(CNCC3(CC(N)=O)CCCCC3)cc2)CC1	850413502	RXSBTWLETXLQSQ-UHFFFAOYSA-N	358.530	2.354	10	10	FECE	
Cc1ccncc1CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	852496599	PWJXRNFCBFJOBQ-UHFFFAOYSA-N	368.481	2.393	10	10	FECE	
CN(C)CCC[C@H]1CN(C(=O)NCCCSc2nccs2)CCO1	853857372	AKJGBPOGFZPYLL-AWEZNQCLSA-N	372.560	2.378	10	10	FECE	
CCOc1cccc(CN2CCC[C@@](O)(Cc3nc(CC)no3)C2)c1O	856591653	CDJYAEVPWHBGMK-LJQANCHMSA-N	361.442	2.306	10	10	FECE	
O=C1/C(=C/c2cn(C[C@H]3CCOC3)nn2)SC(=S)N1c1cccnc1	865215230	LWBSZSQTSPGQLD-MQOXYSQQSA-N	373.463	2.115	10	10	FECE	
COC(=O)c1c(CNCCCC(=O)NC2CC2)c2cc(F)ccc2n1C	894179453	CGTSILBHXXXPCP-UHFFFAOYSA-N	361.417	2.252	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@H]1CCN(c2cccc(Cl)c2)C1=O	1153885875	QOUGYCCBUCPRNY-OAHLLOKOSA-N	360.797	2.421	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3cccc(O)c3F)CC2)cc1	1292282997	QUCGWGYZGPMVTQ-UHFFFAOYSA-N	373.428	2.092	10	10	FECE	
CN(C)C(=O)/C=C\C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	1294161286	LTRUOKUSHVNAJV-XPSMFNQNSA-N	367.396	2.017	10	10	FECE	
Cc1cnc2nc(C(=O)NCc3cc(Cl)cc(Cl)c3O)nn2c1	1298841731	PPYCULJVIWBVMP-UHFFFAOYSA-N	352.181	2.375	10	10	FECE	
C[C@H]1COCC[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	1342766197	GIIZOTWZORCFJS-LPHOPBHVSA-N	373.497	2.177	10	10	FECE	
CN1C(=O)C[C@H](C(=O)NCc2cccc(O)c2O)[C@H]1c1ccc(F)cc1	1348046068	HNWVOMOLNFEQJY-WMLDXEAASA-N	358.369	2.073	10	10	FECE	
CC[C@@H]1C[C@H]1C(=O)N(C)CCCNC(=O)c1ccc(N=NC(N)=O)cc1	1351621757	NIGOYUQUYTXEEP-IUODEOHRSA-N	359.430	2.473	10	10	FECE	
CN(C)S(=O)(=O)c1ccsc1C(=O)NCc1cc(Cl)ccc1O	1644590902	UFDCXLHLINZEAI-UHFFFAOYSA-N	374.871	2.287	10	10	FECE	
CCOc1cccc(/C=C2/SC(=S)N([C@@H](C(=O)O)[C@@H](C)O)C2=O)c1	1858596051	NGCRPCHKQMDXMZ-ZSKORGCUSA-N	367.448	2.121	10	10	FECE	
Cn1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1=O	1861857956	YCJVLWQNAHCUKS-UHFFFAOYSA-N	358.353	2.413	10	10	FECE	
COCC1(C(=O)O)CN(Cc2cc(Cl)cc(Br)c2O)C1	1973655063	VFCHDNAODZUNNZ-UHFFFAOYSA-N	364.623	2.341	10	10	FECE	
COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(N)ccc1O	2044654714	HXIAQSQAHFBQFW-OAHLLOKOSA-N	351.447	2.042	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060611343	RWTPECYGXDWXKT-JHJVBQTASA-N	353.423	2.312	10	10	FECE	
CO[C@H](CCNC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2060611581	VWZBIQBDIPUFQF-QWHCGFSZSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]1(C(=O)NCC2(CN=[N+]=[N-])CC2)CCCO1	2060636150	USUHKFYXJRNERV-MRXNPFEDSA-N	353.423	2.267	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1CC(=O)N1CC[C@H](CN=[N+]=[N-])C1	2067684068	FGHCYCXMRSDUIB-FRRDWIJNSA-N	353.423	2.075	10	10	FECE	
Cc1cccc(Cn2nc(C(=O)NC3CC3)c(N)c2C(F)(F)F)c1O	2079233326	SJJWYAGQKYWLAT-UHFFFAOYSA-N	354.332	2.439	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN2CCCN=[N+]=[N-])CC1	2117995895	NGVYWUOMHVNMTM-CQSZACIVSA-N	366.466	2.231	10	10	FECE	
C[C@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1	2132348089	DPWKUPOSTOLKBQ-XJKSGUPXSA-N	356.422	2.301	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)[C@@H]2CNC(=O)c1ccc(O)c(O)c1	2138562000	WFMPVMSRACPWGM-MCIONIFRSA-N	362.426	2.331	10	10	FECE	
CN(CCCNC(=O)OC(C)(C)C)C(=O)c1ccn(-c2ccc(N)cc2)n1	2163055339	GPWHVEULXWIFBS-UHFFFAOYSA-N	373.457	2.441	10	10	FECE	
Nc1ccc(OC[C@H](O)CN2C[C@@H]3C[C@H](C2)CN3Cc2ccccc2)cc1	2187752562	QMHRMBZTFWGBRU-HLAWJBBLSA-N	367.493	2.215	10	10	FECE	
CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2218746751	RKDASPJGLZVTKS-YMEQNVIZSA-N	353.423	2.406	10	10	FECE	
COc1ccc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)c(C(=O)O)c1	2235948716	VGNOQCWRUINLEO-PMACEKPBSA-N	368.433	2.483	10	10	FECE	
CN1CCCc2cc([C@@H](N)[C@](O)(CF)CNC(=O)OC(C)(C)C)ccc21	2265067350	YFRCKEOAWSDPBZ-APWZRJJASA-N	367.465	2.294	10	10	FECE	
CCOc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1OC	2293024304	CWCOIGKZYRXEEV-UHFFFAOYSA-N	353.421	2.380	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)C12CC(NC(=O)OC(C)(C)C)(C1)[C@H](C)O2	2315992735	QQWJOUMVNMVQNW-SOISORPOSA-N	353.423	2.360	10	10	FECE	
CN(C(=O)c1cccc(O)c1O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F	2320528260	TVRSJWZXKMZHAK-NEPJUHHUSA-N	354.378	2.127	10	10	FECE	
CSc1ccc(C=C2SC(=S)N([C@@H](C(=O)O)[C@@H](C)O)C2=O)cc1	2323823849	SNEZCPNJAFZUSH-PRHODGIISA-N	369.489	2.444	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@](C)(NCc1ccc2c(c1)CCO2)C(=O)O	2351448307	DHLKSFUFTCPJLD-BUXKBTBVSA-N	364.442	2.468	10	10	FECE	
COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)sc2c1CCC2	102832193	NUKFCIFFKJTGPC-JTQLQIEISA-N	350.440	2.219	10	10	FECE	
Cc1nn(CC(=O)NCc2ccc(N(C)C)cc2)c(=O)c2ccccc12	21303103	SZOCGBJDDNCZSC-UHFFFAOYSA-N	350.422	2.087	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)c3coc(C4CC4)n3)cc2)CC1	1439331608	RRYWUXIGNJTJLB-UHFFFAOYSA-N	368.437	2.184	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCN(Cc2ccon2)CC1	173292045	SHMSVLNNIUQZFY-UHFFFAOYSA-N	367.453	2.078	10	10	FECE	
CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NCCc1ccc(O)c(O)c1	120421131	QXTLEBDJNQFMKL-GOSISDBHSA-N	374.412	2.350	10	10	FECE	
C[C@@H](C(=O)O)N1C(=O)/C(=C2/C(=O)Nc3ccc(Cl)cc32)SC1=S	72414737	ONARRIPYRFUDRI-LJNWBWRRSA-N	368.823	2.337	10	10	FECE	
NCc1ccc(N2CC[C@H](S(=O)(=O)C(F)F)C2)c(Br)c1	2368711818	GLEHWYXNEBJQRK-VIFPVBQESA-N	369.231	2.124	10	10	FECE	
COCCCN(C)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92434857	UTDKUVNLLHSQHW-UHFFFAOYSA-N	374.529	2.397	10	10	FECE	
CC(=O)N1CCC[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	98076535	LJVMVYHNXVDIEK-UXHICEINSA-N	373.497	2.271	10	10	FECE	
CCOC(=O)CN(C(=O)/C=C\c1ccc(N2CCOCC2)cc1)C(C)C	255849033	ZCCFSXKBGFPTJK-YFHOEESVSA-N	360.454	2.337	10	10	FECE	
COc1cc(OC)c(S(=O)(=O)N(C)Cc2ccccc2O)c(OC)c1	275074133	LHRBJTRGAVFOOC-UHFFFAOYSA-N	367.423	2.239	10	10	FECE	
COc1ccc(N2CCN(C(=O)COC(=O)C3(C)C[C@H]4C[C@@H]4C3)CC2)cc1	815361982	XQOUFHMNIPSTEF-HZPDHXFCSA-N	372.465	2.323	10	10	FECE	
O=[N+]([O-])c1cc(Br)c(O)c([C@H](C(F)F)N2CCNCC2)c1	575267967	YBGARHLUKOWWQV-SNVBAGLBSA-N	366.162	2.274	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccn(C2CCOCC2)n1	825341223	CVUBIYCLZMVEEK-GFCCVEGCSA-N	360.414	2.399	10	10	FECE	
CC[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H](O)C(F)F	837651450	LRHGCPDYSDKRII-LSDHHAIUSA-N	373.469	2.444	10	10	FECE	
C[C@@H]1CNCC[C@H]1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	842266105	PIBCKDJRNNIFPB-CRAIPNDOSA-N	373.497	2.168	10	10	FECE	
COCCNC1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	846139280	YZCQIZJUNHZMNU-UHFFFAOYSA-N	360.502	2.197	10	10	FECE	
Cc1cc(C(=O)COC(=O)[C@@]2(O)CCOC2)c(C)n1-c1ccc(F)cc1	840694276	WUKVBKKHNFJVLH-LJQANCHMSA-N	361.369	2.111	10	10	FECE	
Cc1ccccc1CC1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1	754467753	HAWNZGDEFTWEAC-UHFFFAOYSA-N	374.462	2.387	10	10	FECE	
C[C@@H](NC[C@H](O)CS(C)(=O)=O)c1ccc(N2CCCCCC2)cc1	927033721	PZRGFOLXQNAPBA-QAPCUYQASA-N	354.516	2.123	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCN2C)C1	928556304	NUQYPLSVZUTULL-MRXNPFEDSA-N	354.498	2.228	10	10	FECE	
CN1CCN(C(=O)C2=CC[C@H](NC(=O)OC(C)(C)C)C2)c2cccnc21	859905610	IRFLCCFMEHWTSY-AWEZNQCLSA-N	358.442	2.478	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CNC(=O)NC3CCCCC3)C2)cc1	855230589	PWAUNHMZYYGPKG-INIZCTEOSA-N	374.485	2.022	10	10	FECE	
CC(C)(C)OC(=O)[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1	769467303	SPXSCOBVJAEMGC-GOSISDBHSA-N	362.470	2.066	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)c1ccc(-c2ccccn2)nc1O	762267982	XQKGZAPTNWTBKX-UHFFFAOYSA-N	351.362	2.233	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]2CN(CC(=O)Nc3ccc(N)cc3)C[C@H]21	2132375151	NKMRWHYOCGZRMH-XJKSGUPXSA-N	360.458	2.149	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NCc1cccc(O)c1O	1123888412	IZLZEFMWPYRVCX-AWEZNQCLSA-N	350.415	2.360	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)c2cccnc2OCCO)cc1F	1144978676	VBQNFSVOJURUDF-UHFFFAOYSA-N	361.417	2.368	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@H](O)c1cnc[nH]1	1155090776	HPOFYEJPPBJNAO-SFHVURJKSA-N	352.394	2.093	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)NC[C@]12CCCC[C@H]1C2	1334643531	LHCIXOSMXLIMJT-BLLLJJGKSA-N	353.513	2.438	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H]1CCC(C)(C)CO1	1262142163	OLTLDSVZPIDRRU-KRWDZBQOSA-N	361.486	2.032	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N[C@@H]3CC[C@H]4CN(C)C[C@@H]43)CC2)cc1	1263707492	KYEFTIWPMBKXSP-RYGJVYDSSA-N	372.513	2.303	10	10	FECE	
C[C@@H](NC(=O)c1nc(S(C)(=O)=O)ccc1Cl)c1ccccc1O	1454804160	HWORFCIKJPNZRX-SECBINFHSA-N	354.815	2.335	10	10	FECE	
C[C@H](NC[C@@H]1C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(O)cc1O	2116204661	DFWZAHXGBQRYOM-HJXMPXNTSA-N	366.458	2.413	10	10	FECE	
Cc1cc(CC(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)c(C)n1-c1ccccc1	1626160951	RQTKDXLKPFAABH-SFHVURJKSA-N	365.433	2.043	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CO)(C(=O)N2CCCC[C@H](CN=[N+]=[N-])C2)C1	2124510703	ZXROSEAVSFSZQP-CYBMUJFWSA-N	367.450	2.155	10	10	FECE	
C[C@H](C(=O)N1CCC[C@@H]1CN=[N+]=[N-])N1CCN(C(=O)OC(C)(C)C)CC1	2124513010	OMQQDWIAUQIOCL-ZIAGYGMSSA-N	366.466	2.229	10	10	FECE	
CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N3CC[C@H](CN=[N+]=[N-])C3)c21	2124512905	OVEURERPGOZERB-LLVKDONJSA-N	361.406	2.411	10	10	FECE	
O=C1/C(=C\c2cccc(F)c2F)SC(=S)N1CCN1CCOCC1	1772827224	PWNIGONLHQZPGG-JLHYYAGUSA-N	370.446	2.498	10	10	FECE	
COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)NCc1cc(C)ccc1O	1687790290	AASBSDXPUGUIBO-CYBMUJFWSA-N	358.398	2.018	10	10	FECE	
COC1CC(NC(=O)OC(C)(C)C)(C(=O)NCc2ccccc2O)C1	1964888680	GMZWHRBRUONHFC-UHFFFAOYSA-N	350.415	2.081	10	10	FECE	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCc1nnc2n1CCCC2	166334154	NZFZJIACWITJOC-UHFFFAOYSA-N	364.409	2.151	10	10	FECE	
COCCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)C(C(=O)OC)=C1C	6241616	XQGGYLCAEDKZCA-RVDMUPIBSA-N	360.366	2.304	10	10	FECE	
COc1cc(Br)cc(CN2CCC[C@H](NC(C)=O)C2)c1O	153834094	FPXQQOYVMBIONF-ZDUSSCGKSA-N	357.248	2.264	10	10	FECE	
CC1(C)SC[C@@H](C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)NC1=O	1890238580	NOHJDQUDBSSUHK-XIRDDKMYSA-N	373.522	2.302	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(O)c(O)c(O)c2)[C@H]2CC[C@@H]21	2132418289	IVHLGZRGGPVJGB-RYUDHWBXSA-N	364.398	2.027	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@](C)(CNCc2ccc(O)cc2O)C1	2135092002	KJKOQAZHHQZXLX-IBGZPJMESA-N	366.458	2.461	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNC(=O)c3ccc(O)c(O)c3)C[C@H]21	2140677569	RRDXZAWCZAFXBY-MGPQQGTHSA-N	362.426	2.473	10	10	FECE	
C[C@H](N[C@H]1COC[C@@H]1CNC(=O)OC(C)(C)C)c1c(O)cccc1O	2036600086	RXXKLLNKVFNCNO-AVGNSLFASA-N	352.431	2.288	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)[C@H](CNCc2cccc(F)c2O)C1	2036980141	SMQDRWAFYMUNNH-CQSZACIVSA-N	353.438	2.172	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CN1CCO[C@@]2(CCNC2)C1	717404497	GMLNJLJXRWWBLN-CQSZACIVSA-N	361.667	2.372	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]2C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1	2049784823	RDDYZBHPNPWRGT-MNUAXYBXSA-N	350.459	2.289	10	10	FECE	
CO[C@@H]1C[C@H](CNCc2ccc(O)c(O)c2)N(C(=O)OC(C)(C)C)C1	2052355903	MKIMNRBHNSTFSG-ZIAGYGMSSA-N	352.431	2.212	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2ccc(O)c(O)c2)C1	2054410986	SSPUHUFOHKXZOV-WCQYABFASA-N	350.415	2.473	10	10	FECE	
Nc1ccc(Cn2cnc3c(I)ncnc32)cc1	2057610636	CVTPCGLJFOXWTO-UHFFFAOYSA-N	351.151	2.061	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C1	2073946647	TXILTPUURZMXBD-UPJWGTAASA-N	353.423	2.360	10	10	FECE	
CC[S@](C)(=O)=NCCNCc1c(Br)ccc(OC)c1O	2236053239	RHSIAWYSEGMCHJ-FQEVSTJZSA-N	365.293	2.371	10	10	FECE	
COc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)ccc1O	2296660127	IJYFYKVAPMOBTG-UHFFFAOYSA-N	352.346	2.063	10	10	FECE	
COc1ccc(C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1	2296709457	RXUPYOOICPCNPB-LLVKDONJSA-N	369.489	2.084	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H](CCNCCc2ccc(O)c(O)c2)C1	2344571603	GUVFFGQSRVRTTC-HNNXBMFYSA-N	366.458	2.256	10	10	FECE	
Nc1c(C(=O)OCCn2cccn2)ccc2c1C(=O)c1ccccc1C2=O	109371637	WXGNWKMAIJRNOV-UHFFFAOYSA-N	361.357	2.098	10	10	FECE	
COc1ccc(O)c([C@@H](C)NCC(=O)NCc2ccccc2[N+](=O)[O-])c1	182467528	HCQDNURGVPPVPL-GFCCVEGCSA-N	359.382	2.276	10	10	FECE	
CN1C(=O)/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C(O)=NC1=S	33915677	PSNRJYZJYBQTKJ-LCYFTJDESA-N	356.363	2.482	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCCc2[nH]ncc21	132563980	TWGQDOFNYMTFET-QGZVFWFLSA-N	354.454	2.325	10	10	FECE	
CC1CCN(C[C@H](O)CN(Cc2ccccc2O)C[C@H]2CCCO2)CC1	246444224	DKAQVPSGXGGYMQ-VQTJNVASSA-N	362.514	2.466	10	10	FECE	
Cc1c(/C=C\C(=O)N2CCCc3cc(S(C)(=O)=O)ccc32)cnn1C	255576316	RAPRBBJPMHSJET-TWGQIWQCSA-N	359.451	2.125	10	10	FECE	
Cn1cc(CCCNC(=O)/C=C\c2ccc(N3CCOCC3)cc2)cn1	255196171	PVZCOUHYPUVPMB-TWGQIWQCSA-N	354.454	2.019	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H](n4cc(Cl)cn4)C3)cc2N1	377992501	QYYMMZVHXKFNSF-SNVBAGLBSA-N	363.761	2.227	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CC[C@@]4(C)[C@H](C3)C4(F)F)nc12	298234614	HZXNJGZTRZSWOC-LRDDRELGSA-N	366.368	2.089	10	10	FECE	
CCc1noc(C)c1CNC(=O)NCc1ccc(N2CCOCC2)cc1	296337040	MBNDZIOBKXYNMS-UHFFFAOYSA-N	358.442	2.381	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)NC1CC(N2CCCCC2)C1	807554794	LWXNOQLGKAOPJM-UHFFFAOYSA-N	373.497	2.264	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3COC(C)(C)C3)cc2)CC1	828013537	DBUHZSCIXQAKRG-QGZVFWFLSA-N	373.497	2.223	10	10	FECE	
CCn1nccc1CN(CCO)Cc1ccc(Br)cc1O	825745090	VSRSQONEFPALFU-UHFFFAOYSA-N	354.248	2.366	10	10	FECE	
O=C1Cc2c(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)ccnc2N1	830899758	LLPOPKFLJXBWAM-CQSZACIVSA-N	367.405	2.103	10	10	FECE	
CCOC(=O)[C@@H]1Cc2cccc(F)c2N(C(=O)/C=C/c2cnn(C)c2)C1	844641127	JAWZFLAMDIRIGF-MVGZEHJDSA-N	357.385	2.341	10	10	FECE	
COC(=O)[C@H]1CSCCN(Cc2cccc(Br)c2O)C1	840977871	NUEJRWUDGGFNRG-LLVKDONJSA-N	360.273	2.493	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=S)NCC(C)(C)CN(C)C)C2)cc1	849271076	ZKCPKCUKAAIZLW-OAHLLOKOSA-N	364.559	2.326	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc2c(c1)CCOC2	850375340	YGXZMSJAIUNZNB-UHFFFAOYSA-N	367.449	2.389	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)C2)cc1	855232355	QKFSRGCIKXTBFC-HUUCEWRRSA-N	359.470	2.037	10	10	FECE	
COC1(C[C@@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCC1	759997824	DABSKACEUDONMN-MRXNPFEDSA-N	366.527	2.359	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)NCC3(C)CCC3)CC2)cc1	752905587	NRWHMEFDXPODQA-UHFFFAOYSA-N	360.502	2.307	10	10	FECE	
CC1CCN(c2cccc(NC(=O)c3ccc4c(c3)B(O)OC4)c2)CC1	863874023	NNGNUXBSLVOFIC-UHFFFAOYSA-N	350.227	2.393	10	10	FECE	
Cc1ccc(C(=O)N2CN(C)C(=O)[C@@H]2C)cc1-n1c(C)cc(C=O)c1C	862116250	LYTOSSAUTOWVQJ-HNNXBMFYSA-N	353.422	2.475	10	10	FECE	
Cc1cc(CC(=O)N[C@H]2CCC(=O)NC2=O)c(C)n1-c1ccc(Cl)cc1	772719465	WUEOKPTZMVEBTO-INIZCTEOSA-N	373.840	2.211	10	10	FECE	
O=C(N[C@@H]1C[C@H]2C[C@H]1[C@H](CO)C2)N(Cc1ccccc1O)C[C@@H]1CCCO1	898168451	FZCTYTAXPOACFV-VINWQNLFSA-N	374.481	2.490	10	10	FECE	
CN(C)S(=O)(=O)[C@H]1CCCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1	795654663	UVSACNIKJAKOOX-HNNXBMFYSA-N	370.515	2.251	10	10	FECE	
Cc1cccc([C@H]2CCCN2C(=O)C(=O)N2Cc3cccc(O)c3C2)n1	1329796092	AMYCFDKXVVAPDF-QGZVFWFLSA-N	351.406	2.302	10	10	FECE	
COc1ccccc1CN(C(=O)C(=O)N1Cc2cccc(O)c2C1)C1CC1	1330384005	HGIKWLMABPWMJG-UHFFFAOYSA-N	366.417	2.434	10	10	FECE	
COc1ccc(N2CC[C@H](NCc3ccc(S(C)(=O)=O)o3)C2)cc1	1347358684	XKCKOHXZKIOHKB-ZDUSSCGKSA-N	350.440	2.060	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCc2nncn2CC1	1352614403	BUIHSICNSKKQMI-QGZVFWFLSA-N	353.470	2.489	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2c[nH]nc2I)cc1	1440646990	OQVZWSJSIVBFRE-UHFFFAOYSA-N	370.194	2.010	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NCCCNC(=O)c1ccccc1F	1545111010	CLQXDARISHIXIU-CLFYSBASSA-N	358.369	2.186	10	10	FECE	
CC1=C(C)C(=O)N(CCC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1=O	1638243563	HWAQWDOYENEOMW-CQSZACIVSA-N	371.481	2.204	10	10	FECE	
O=C(NCc1ccccc1O)c1ccc(I)cn1	1631540577	XFXSVNGETSGIDJ-UHFFFAOYSA-N	354.147	2.322	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN3CCC(C)(F)CC3)CC2)cc1	1654399049	VTQSZSTZBZSGDP-GOSISDBHSA-N	365.493	2.002	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCCO2)nnc1N1CCOCC1	1761698849	ZELYSHYYYHJFTO-GOSISDBHSA-N	371.485	2.389	10	10	FECE	
COCCO[C@@H]1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1	1772923939	GBBZYMODEBWGMT-KXQLTZBTSA-N	350.371	2.023	10	10	FECE	
CCc1ccc(/C=C2/SC(=S)N([C@H](C(=O)O)[C@H](C)O)C2=O)cc1	1858592811	YDCVDAVVJARLBD-FFVMJPMASA-N	351.449	2.284	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1	2132413183	KQWALTBLSPNXRH-RYUDHWBXSA-N	366.414	2.369	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](CO)(NC(=O)Nc2ccc(N)cc2)C1	2133756616	YFWXXVKRDGEVFH-SFHVURJKSA-N	364.446	2.152	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(CNC(=O)c2ccc(O)c(O)c2)C1	2136062194	AAAQAMHFOUVYJM-ORAYPTAESA-N	362.426	2.475	10	10	FECE	
C[C@@H](O)c1ccc(N2C[C@@H]3[C@H](CCS3(=O)=O)C2)c(Br)c1	2145050186	PGYAIJDEURIATB-GLXFQSAKSA-N	360.273	2.126	10	10	FECE	
COc1ccc(O)c(CN[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@@H]3CCO[C@H]32)c1	311293850	HABOFGPVRNTYEK-RKTXRCNFSA-N	364.442	2.171	10	10	FECE	
COC(=O)C=Cc1ccc(N2CC[C@H](C)[S@](=O)CC2)c([N+](=O)[O-])c1	2054096827	MXAPSEHZAQSUQD-FNODVLLQSA-N	352.412	2.128	10	10	FECE	
C[C@@H]1COC[C@@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])N1C(=O)OC(C)(C)C	2060620447	AKSVWDDBPABUFE-UPJWGTAASA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2060636237	VUELFRDSXPCIGA-QWHCGFSZSA-N	353.423	2.171	10	10	FECE	
CN(CCn1cnc(C(=O)N2CC[C@H](N=[N+]=[N-])C2)c1)C(=O)OC(C)(C)C	2225238951	HBJZPTQBYOWANR-LBPRGKRZSA-N	363.422	2.275	10	10	FECE	
CN(C)CCN(CCNC(=O)OC(C)(C)C)C(=O)Nc1ccc(N)cc1	2265837894	JMKQRGSDECCWGH-UHFFFAOYSA-N	365.478	2.189	10	10	FECE	
COc1ccc(OC)c(C=C2SC(=S)N([C@H](C)C(=O)O)C2=O)c1	2293031193	ISEDECUOEPIKHD-MRVPVSSYSA-N	353.421	2.378	10	10	FECE	
COc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(F)cc3)C2=O)cc1	2296755457	AEAAUXIBQWKFQR-UHFFFAOYSA-N	355.325	2.413	10	10	FECE	
COc1cccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2OC)c1O	378886119	MPLOTHYTPZGPIV-HIFRSBDPSA-N	352.431	2.125	10	10	FECE	
COc1cc(C=C2SC(=S)N(C)C2=O)ccc1O[C@@H](C)C(=O)O	2314930919	AZJFESGJMDZAFH-QMMMGPOBSA-N	353.421	2.378	10	10	FECE	
Cc1ccc(CNCCS(=O)(=O)C(C)C)c(O)c1Br	2352692283	JBNBWNAHNUWXIR-UHFFFAOYSA-N	350.278	2.376	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@]3(O)C[C@@H]4[C@H]3CCN4C(=O)OC(C)(C)C)ccc21	2354610046	WACONZKNFSVWQO-FLTJSSMESA-N	373.497	2.439	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](NC(C)=O)C2)cc1F	66927104	PGAIWERJYNJJKJ-INIZCTEOSA-N	364.465	2.482	10	10	FECE	
COc1cc(Br)cc(CN2CCO[C@@]3(CCOC3)C2)c1O	187543122	JACAQBBRTRBHJJ-HNNXBMFYSA-N	358.232	2.155	10	10	FECE	
Cc1ocnc1C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92126633	LUMZEQGTNXIGKJ-UHFFFAOYSA-N	354.454	2.445	10	10	FECE	
COc1cc(Br)cc(CN2CCN(C[C@H](C)O)[C@H](C)C2)c1O	245779047	TXUWSAPPSDFVOX-NEPJUHHUSA-N	373.291	2.050	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(C)(C)C(=O)NC(C)(C)C)CC2)cc1	240786168	AXMWMAVEOBHWBV-UHFFFAOYSA-N	361.486	2.285	10	10	FECE	
COC[C@H]1CCCN(C(=O)C(=O)NCCCSc2nccs2)CC1	817823777	NOASKCFWDIOSNZ-ZDUSSCGKSA-N	371.528	2.017	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CC[C@@H](Nc3ncccn3)C2)cc1F	826019617	IDBBNHJIIWWZGO-CQSZACIVSA-N	358.421	2.078	10	10	FECE	
COCCN1CC[C@@H](NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1	826795487	BOLDZGIRFSJXHM-LJQANCHMSA-N	355.482	2.474	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3CCOCC4(CC4)C3)C2)cc1	824685943	JKTVVLXSSWRSFH-MRXNPFEDSA-N	359.470	2.344	10	10	FECE	
CC1(C)CCC[C@H](CS(=O)(=O)NNc2nc3ccncc3s2)O1	901691749	CTEQXLBXEYCNBU-SNVBAGLBSA-N	356.473	2.285	10	10	FECE	
CC1(C)CCC[C@@H](CS(=O)(=O)NNc2nc3cccnc3s2)O1	901676539	COOWCZUWJZSKLC-JTQLQIEISA-N	356.473	2.285	10	10	FECE	
CN(C)c1ccc(CNC(=O)N[C@H]2CCCc3c2ccc(=O)n3C)cc1F	844936368	XQBYCEMXQVXUGA-INIZCTEOSA-N	372.444	2.467	10	10	FECE	
CN(C)c1ccc(CNC[C@H]2CS(=O)(=O)c3ccccc3O2)cc1F	842721806	LVOZNGFQXQGHLL-AWEZNQCLSA-N	364.442	2.216	10	10	FECE	
COC(=O)/C(C)=C\CNC(=O)NCc1cc(Br)ccc1O	925020918	UDWKMUHPNRTYKU-UITAMQMPSA-N	357.204	2.073	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@](C)(C(F)F)C3)C2)cc1	852450010	FEJWNRNVOKDXEJ-UGSOOPFHSA-N	369.412	2.340	10	10	FECE	
COC(=O)c1ccc(O)c([C@@H](C)NCCC2CCS(=O)(=O)CC2)c1	756780392	TWPYWWQUBYQFRM-GFCCVEGCSA-N	355.456	2.044	10	10	FECE	
COC(=O)/C=C/c1ccc(N2C[C@H](SC)[C@@H](N(C)C)C2)c([N+](=O)[O-])c1	759278268	MXYQKFRNNQZHRV-OHOWAWRESA-N	365.455	2.263	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](C)CN3CCCC3)C2)cc1	852183288	JZVOJONYYGBMER-IAGOWNOFSA-N	360.502	2.305	10	10	FECE	
COc1cnc(F)c(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1	861687691	WWFHKLWOLDJABB-UHFFFAOYSA-N	372.400	2.084	10	10	FECE	
CCn1nc2c(cc1=O)CN(Cc1cccc(Br)c1O)CC2	769512870	UVAVSAPBGREKDA-UHFFFAOYSA-N	364.243	2.290	10	10	FECE	
C[C@H](NC[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)c1ccccc1O	931553315	BKUADNSIGKQSIV-XJKSGUPXSA-N	370.515	2.044	10	10	FECE	
Cc1cc(C(=O)N[C@H]2CCN(C3CCC3)C2=O)c(C)n1-c1ccccn1	863837533	SLJFZDGFSNJFKU-KRWDZBQOSA-N	352.438	2.372	10	10	FECE	
Cc1nc2c(c(O)nn2C)c(C)c1CCC(=O)N1Cc2cccc(O)c2C1	871202708	LXSRHWMBZXDTOH-UHFFFAOYSA-N	366.421	2.471	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cnn(CC(=O)NC2CCCC2)c1	779504616	CJDPJSJYSAJKCM-VURMDHGXSA-N	370.409	2.005	10	10	FECE	
C[C@@H](CNCc1cccc(O)c1O)N1CCN(C(=O)OC(C)(C)C)CC1	1877256880	WLTJWYZQJCPWCO-AWEZNQCLSA-N	365.474	2.129	10	10	FECE	
COc1ccc(N2CCN(Cn3nnn(C(C)(C)C)c3=S)CC2)cc1	884435593	CIGVMEDCYJTHQC-UHFFFAOYSA-N	362.503	2.352	10	10	FECE	
COC[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@H]1CCCOC1	899650831	HRDGPHBBXSHIPE-CMPLNLGQSA-N	351.424	2.484	10	10	FECE	
C[C@H](NC(=O)[C@@H](C)N1CC(NC(=O)OC(C)(C)C)C1)c1ccccc1O	1877573359	KAMJDDUTAXYOCD-QWHCGFSZSA-N	363.458	2.167	10	10	FECE	
CCN[C@H](C)c1ccc(N2CCS(=O)(=O)CC2)c(Br)c1	61695449	AKSMMPQWRVYROP-LLVKDONJSA-N	361.305	2.354	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc2[nH]ccc2n1	1299699075	NGTLDRBRISHRMB-UHFFFAOYSA-N	353.378	2.474	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1c(C(F)F)nc2cnccn12	1466791225	RDKWAWITDCXMSQ-VIFPVBQESA-N	362.336	2.439	10	10	FECE	
Cc1cc(F)c(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)c(F)c1	1652518282	TZKKBIFYQGVJJW-UHFFFAOYSA-N	370.377	2.280	10	10	FECE	
CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1CCNC(=O)C1CC1	1741434326	MJCHNQSLIWJWIN-UHFFFAOYSA-N	371.485	2.345	10	10	FECE	
NC(=O)COc1ccc(C(=O)NCc2c(O)ccc3ccccc23)cc1	1652705985	SJDPRADRGAPEAU-UHFFFAOYSA-N	350.374	2.340	10	10	FECE	
COc1cccc(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccc(F)c2)c1O	1595799987	MVNDMVHCIDQWRL-MAUKXSAKSA-N	372.396	2.376	10	10	FECE	
CCn1c(C)cc(C)c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1=O	1873831432	LGSCFWDUCQBFJY-UHFFFAOYSA-N	369.465	2.456	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H](CN=[N+]=[N-])C1)C1(O)CCC1	2131457268	NNMAPMSKMMQTBJ-CHWSQXEVSA-N	367.450	2.344	10	10	FECE	
CCCS(=O)(=O)CCNCc1cc(Br)cc(F)c1O	2139806711	PDGSCWMBVZZFRD-UHFFFAOYSA-N	354.241	2.208	10	10	FECE	
COCCNCc1ccc(N(C)C[C@@H](O)COCc2ccccc2)cc1	1916390855	WKRGGZUMLIFRKN-OAQYLSRUSA-N	358.482	2.437	10	10	FECE	
C[C@@H]1C[C@@H](CNCc2c(O)cccc2Br)CCS1(=O)=O	1966091707	XGYMGPBVMPHIFL-MNOVXSKESA-N	362.289	2.458	10	10	FECE	
C[C@H](c1cc(O)ccc1O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O	2136357302	JHYKRKAWMSAZIA-RISCZKNCSA-N	366.414	2.165	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(Cc2ccc(O)c(O)c2)C1	2136388002	OYNGIAPXLVJBON-STQMWFEESA-N	366.414	2.040	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)Cc1ccc(N)cc1	2044641613	TVDUNXRDILUZDR-ZDUSSCGKSA-N	369.487	2.040	10	10	FECE	
COC[C@H](CC(=O)N1CCC[C@@H](CN=[N+]=[N-])C1)NC(=O)OC(C)(C)C	2060619900	SJSSOLLOQOXGHV-STQMWFEESA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)NCc1cc(O)nc(CNCc2ccc(N)cc2)n1	2092528123	BDVYHLDPHVTGPF-UHFFFAOYSA-N	359.430	2.079	10	10	FECE	
CN(C[C@@]1(Br)CC1(F)F)S(=O)(=O)Cc1ccc(N)cc1	2202543836	WNCDIGIFACOSDT-NSHDSACASA-N	369.231	2.203	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](NC(=O)COc2ccc(N)cc2)C[C@@H](F)C1	2226270267	SZGPDESSPOJTQN-OCCSQVGLSA-N	367.421	2.111	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2OCC[C@@]2(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2278990558	WOKBJOBDXGUHSF-PBFPGSCMSA-N	365.434	2.314	10	10	FECE	
Cn1c(CCNC(=O)C=Cc2ccc(O)c(O)c2)nc2cc(F)ccc21	2307987379	YGKOJIMRBGRCTL-UHFFFAOYSA-N	355.369	2.496	10	10	FECE	
CC(C)(C)OC(=O)N(CCCO)CCC(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-]	2319869444	AEVKSRJWBAQLIY-QWHCGFSZSA-N	355.439	2.344	10	10	FECE	
CN(C(=O)COc1ccc(N)cc1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F	2343634308	OUPIHQBPQBZYGO-CABCVRRESA-N	367.421	2.063	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NCc1cscn1	51308784	CKRXKWCEYNFCHE-UHFFFAOYSA-N	364.446	2.243	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)N2CCOCC2)N2CCCCC2)cc1	36100122	CUKCSTPZTJDCBP-IBGZPJMESA-N	360.502	2.321	10	10	FECE	
CCOC(=O)c1cn(C)nc1NC(=O)NCc1ccc2c(c1)CCCN2C	184008557	RXEWHYUMKJJTDM-UHFFFAOYSA-N	371.441	2.301	10	10	FECE	
CCc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(N3CCOCC3)cc1)CC2	180608812	WSHZNNDNOBCRPS-DOTOQJQBSA-N	355.486	2.343	10	10	FECE	
CN1CCC[C@@H]2CN(C(=O)/C=C\c3ccc(N4CCOCC4)cc3)CC[C@@H]21	255435060	MFJOLVBXBISXKJ-XCGYYHPWSA-N	369.509	2.479	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN(C)Cc2nc([C@@H](C)OC)no2)c1O	278204949	JLNRRVQBPUTGRA-SECBINFHSA-N	352.347	2.031	10	10	FECE	
CCOc1c(Br)cc(C(=O)OCC(=O)C(C)=O)cc1OC	808494519	ANRDPRIYFZKQOS-UHFFFAOYSA-N	359.172	2.171	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@H](C)CC(=O)c1cccc(Br)c1	808521515	URTRZXGGQYPSRF-SECBINFHSA-N	355.184	2.359	10	10	FECE	
CO[C@@H](CS(=O)(=O)NCc1ccc(N2CCSCC2)cc1)C1CC1	827008067	JHNGJXQMUBYPFQ-KRWDZBQOSA-N	370.540	2.084	10	10	FECE	
COC(=O)CCCCNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	822826409	GUEJTMJIMLCFPG-OAHLLOKOSA-N	363.458	2.164	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)NCc3sccc3C)C2)cc1	826845554	KGVGOVHKPXAMAU-AWEZNQCLSA-N	373.478	2.076	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)CCC[C@H]3CCOC3)C2)cc1	849417000	GTIQIZNZADBOFG-JKSUJKDBSA-N	368.499	2.010	10	10	FECE	
COc1ccc(N(C)CC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)cc1OC	741781760	BTVCNHLEOZHSKO-CYBMUJFWSA-N	358.442	2.368	10	10	FECE	
Nc1ccc(CCNC(=O)N2CCC(c3nnc4ccccn34)CC2)cc1	841963089	WGGJOIKBNJPUBA-UHFFFAOYSA-N	364.453	2.443	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN3CCC[C@H](CCF)C3)CC2)cc1	852533422	UOOKTJRGQXREIX-QGZVFWFLSA-N	363.477	2.415	10	10	FECE	
COC(=O)C[C@@H](CNC(=O)N[C@H](C)c1cc(OC)ccc1O)C1CC1	852605464	SUOULSJMRHSQJP-YPMHNXCESA-N	350.415	2.350	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CCNC(=O)OC(C)(C)C)C2)cc1	855229018	JFJSAKUIHMYOLJ-CQSZACIVSA-N	363.458	2.305	10	10	FECE	
Cc1cc(C(=O)COC(=O)[C@@H]2[C@H]3COC[C@H]32)c(C)n1-c1ccc(F)cn1	850259712	KMUMREPOUIQJQJ-HWWDLCQESA-N	358.369	2.247	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N(C)CC3CCN(C)CC3)C2)cc1	852454023	NWYFHMYLQSJBRL-QGZVFWFLSA-N	360.502	2.257	10	10	FECE	
COC(=O)COc1ccc(N(C)Cc2ccc(-n3cncn3)cc2)cc1	753591529	KWKBWQBWXQHIHU-UHFFFAOYSA-N	352.394	2.456	10	10	FECE	
COC(=O)Cc1occc1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	855226092	QAUSCCXMWAGEEQ-ZDUSSCGKSA-N	358.394	2.012	10	10	FECE	
CCOc1ccc([C@@H]2CCNC[C@@H]2NC(=O)Cc2ccc(N)cc2)cc1	851644687	YOYSSQHQIYJDPF-PMACEKPBSA-N	353.466	2.472	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3ncccc3N(C)C)C2)cc1	852345144	CFWIIKMSTURXMC-HNNXBMFYSA-N	369.469	2.234	10	10	FECE	
Cn1ncc(S(=O)(=O)NCc2cc(Cl)ccc2O)c1C(F)(F)F	867463301	JDESCEVXVQLCDX-UHFFFAOYSA-N	369.752	2.276	10	10	FECE	
Cn1nccc1[C@@H]1COCCN1Cc1c(O)cccc1Br	862403087	VGQZXJPCDGVLIO-AWEZNQCLSA-N	352.232	2.462	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CNCc2ccc(-n3cncn3)cc2)c1O	775012915	LLUVZJBZGZKYKT-UHFFFAOYSA-N	355.354	2.180	10	10	FECE	
COc1ccc(CNC(=O)Cc2ccccc2N2CCCC2=O)c(O)c1	879847082	UDGCANZPTNPUHZ-UHFFFAOYSA-N	354.406	2.387	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CCC(C(=O)N3CCCC3)CC2)c1O	774834262	DBWRLIKHBHVOKM-UHFFFAOYSA-N	363.414	2.143	10	10	FECE	
O[C@]1(CNCc2ccc(N3CCOCC3)cc2)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42	785546943	UJLXOBXHDLCZSR-HSGVVPIZSA-N	366.505	2.122	10	10	FECE	
COc1ccc(O)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1	1304768585	NIKVNNYDQLYFFJ-SFHVURJKSA-N	357.454	2.500	10	10	FECE	
CCc1ccc(S(C)(=O)=O)cc1C(=O)NCc1c(O)cccc1F	1178412829	HEJDDKGREZYUIC-UHFFFAOYSA-N	351.399	2.427	10	10	FECE	
C[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)c1ccncc1	1330386504	HONDBXJDWBAASI-HNNXBMFYSA-N	366.465	2.000	10	10	FECE	
COc1cccc(CNC[C@@H]2CN(C)CCN2Cc2ccccc2)c1O	694765069	IZWZHXJBHZEWSI-LJQANCHMSA-N	355.482	2.307	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCOC2)nnc1N1CCOCC1	1361098383	TXURDGYJUKJXDT-KRWDZBQOSA-N	371.485	2.041	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)[C@H](NS(C)(=O)=O)C(C)C)cc1	1539307254	IEGRBFPWMUNENC-QGZVFWFLSA-N	369.531	2.065	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(O)cn3)cc2F)C[C@@H](C)O1	1543233891	SVXJAYXYBFNBEY-CHWSQXEVSA-N	359.401	2.470	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	1556516068	YNSJFXBZTJCTTR-UHFFFAOYSA-N	353.375	2.034	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC2(c3nn[nH]n3)CCC2)c1	1558173833	WMNQFXQKDVNTLW-UHFFFAOYSA-N	364.409	2.229	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cncc2nc[nH]c12	1631534398	YDNIJBKOZFTOFP-UHFFFAOYSA-N	374.784	2.132	10	10	FECE	
Cc1cnc2c(C(=O)NCc3cccc(Br)c3O)cnn2c1	1568610352	MUQIJJOWTAHGQE-UHFFFAOYSA-N	361.199	2.436	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)c1coc(CS(C)(=O)=O)n1	1639522866	YEGSQZJZTXLOKR-UHFFFAOYSA-N	366.439	2.367	10	10	FECE	
C[C@H](NC(=O)Cn1ccc(Br)cc1=O)c1ccccc1O	1587451109	ICCSARTVLYEZRG-JTQLQIEISA-N	351.200	2.194	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccco1	1767111987	MEUDZLAJBREVON-HNNXBMFYSA-N	367.409	2.213	10	10	FECE	
Cn1ncc(I)c1CNCc1ccc(F)cc1O	1964603698	CRCSAARZCWUVCZ-UHFFFAOYSA-N	361.158	2.159	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC(c3nnc(O)o3)CC2)c([N+](=O)[O-])c1	1773085593	STFSSCKSSFTXJV-HYXAFXHYSA-N	374.353	2.254	10	10	FECE	
COC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(N)cc2)cc(C(=O)OC)c1	1860078850	RCVFMIQMWYYKEX-LLVKDONJSA-N	372.377	2.248	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2CCC(=O)Nc1ccc(N)cc1	2130971925	XZJXBEFKYGVNTH-HOTGVXAUSA-N	360.458	2.291	10	10	FECE	
C[C@H](N[C@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1O	1918670917	MYNLMXBSMGNADC-NWDGAFQWSA-N	352.431	2.119	10	10	FECE	
CO[C@@H](c1cccc(O)c1O)[C@H](NC(=O)OCc1ccccc1)C(=O)O	1952308716	OLFXJRLJGWRLEL-HOCLYGCPSA-N	361.350	2.165	10	10	FECE	
C[C@@H](O)c1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)c(Br)c1	2151274892	UZIVHEMSEDDNKV-UDZFHETQSA-N	360.273	2.126	10	10	FECE	
CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1NCc1ccc(O)cc1O	310808206	AYPUCVTYTAELQT-IMJJTQAJSA-N	352.431	2.258	10	10	FECE	
O=S1(=O)CC[C@@]2(CCCN2Cc2cccc(Br)c2O)C1	2158457608	OSKOIRRBNYOQHG-AWEZNQCLSA-N	360.273	2.308	10	10	FECE	
CN[C@H](C)c1ccc(N2CCS(=O)(=O)[C@@H](C)C2)cc1Br	707162101	FTCIYSRUUSEYKL-WDEREUQCSA-N	361.305	2.353	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cccc(O)c2O)CC1(C)C	927916257	ZKIHPHCHSHLRBF-ZDUSSCGKSA-N	350.415	2.473	10	10	FECE	
COc1ccc([C@H](C2CC2)n2nc(C3(C)CC3)c(C(N)=O)c2N)c(O)c1	2080039525	WRBBOPFOANKJLI-HNNXBMFYSA-N	356.426	2.329	10	10	FECE	
C[C@H]1C[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)CN1C(=O)OC(C)(C)C	2044236967	KIUUXYGBASSLFE-SWLSCSKDSA-N	369.487	2.086	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NCCOc2ccc(N)cc2)C1	2044671758	ITAOZTIYGQKYTI-SXBQZSJRSA-N	369.487	2.413	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNCc2cccc(F)c2O)C[C@H]1O	2052656370	HNHIHXGWEJICHN-KCPJHIHWSA-N	354.422	2.285	10	10	FECE	
C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2060635084	HSUPJBYDSINPSS-YPMHNXCESA-N	353.423	2.312	10	10	FECE	
CNCc1ccc(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc1OC	2204548869	LRTUWURQWYDXEY-JOCHJYFZSA-N	369.509	2.488	10	10	FECE	
Oc1cc(F)ccc1CNCCn1cnc(I)c1	2221409574	XJQHISBPKBZSQW-UHFFFAOYSA-N	361.158	2.122	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(CC2CN(Cc3ccc(N)cc3)C2)CC1	2228583450	DRZRFYVBPMWKMU-UHFFFAOYSA-N	360.502	2.253	10	10	FECE	
COC(=O)CCN1C(=O)C(=Cc2cc(OC)ccc2OC)SC1=S	2297302724	NXLCQCWLGLIXHW-UHFFFAOYSA-N	367.448	2.468	10	10	FECE	
COC[C@@]1(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C=CCN1C(=O)OC(C)(C)C	2336343158	PJIXKKKKADUVBL-CXAGYDPISA-N	365.434	2.337	10	10	FECE	
CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H](CN)[C@H]1[C@@H]2COC[C@@H]21	2341345598	XZGCIGMSOQLCNL-XWTMOSNGSA-N	361.486	2.367	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCN(CCOC)[C@@H](C)C2)cc1	172328352	NUOAZGWWXXULKR-KRWDZBQOSA-N	362.518	2.395	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1	68410587	LWLXDHPVAJTYKY-RBUKOAKNSA-N	354.454	2.019	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2nc[nH]c2C(=O)NCC(C)(C)C)cc1	33327583	PHGVONNWBSPKHF-UHFFFAOYSA-N	357.458	2.182	10	10	FECE	
O=C(O)/C=C\c1ccc(N2CCN(CC(F)(F)F)CC2)c([N+](=O)[O-])c1	327495826	PFIYCUNSSLPVBQ-RQOWECAXSA-N	359.304	2.377	10	10	FECE	
COCCOC1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CC1	265229494	BIGOAXFGUNRUGW-GQCTYLIASA-N	364.398	2.413	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN[C@H](c2ccccc2)c2nc[nH]n2)c1O	365157893	ZHXINIXEHDZAGS-CQSZACIVSA-N	355.354	2.306	10	10	FECE	
O=C(COc1ccccc1)N1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2O)C1	282890210	DKNXJKHTPDRPOS-OAHLLOKOSA-N	371.393	2.070	10	10	FECE	
Cc1nc(O)c(C(=O)NCc2cc(Br)ccc2O)nc1C	804739882	WZJFOQXWIIIRIV-UHFFFAOYSA-N	352.188	2.197	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CN(CC(=O)Nc3ccc(N)cc3)C[C@]2(C)C1	2162947462	HPCVVNSMYNSXCM-VBKZILBWSA-N	374.485	2.396	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CN1CC[C@@]2(CNCCO2)C1	719955584	DRNGLBSNIGSYBX-CQSZACIVSA-N	361.667	2.372	10	10	FECE	
CO[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCCC1	822687993	JGDLXLBUCJNBDX-GOSISDBHSA-N	350.434	2.484	10	10	FECE	
C[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCCO1	906856009	CICLPDHZCWDBLQ-SCLBCKFNSA-N	350.434	2.218	10	10	FECE	
O=C([C@@H]1CCc2nc[nH]c2C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	830899582	HREYADAVWZPHES-ZBFHGGJFSA-N	355.438	2.428	10	10	FECE	
Cn1nccc1[C@H](CO)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	839180280	SBGYNAWMZYWTHF-HNNXBMFYSA-N	359.430	2.142	10	10	FECE	
COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)Cc1cc(C)n(-c2ccccc2)c1C	832637953	AOLGVLSKXURABI-ICSRJNTNSA-N	370.449	2.162	10	10	FECE	
CC1(C)C[C@H](N)C[C@@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1	925486167	PUYADXZYJJWQQP-RCCFBDPRSA-N	358.530	2.384	10	10	FECE	
COCCN(C)CCN[C@H](C)c1cc(Br)cc(OC)c1O	848524334	DLKXVGJARMTUOL-LLVKDONJSA-N	361.280	2.392	10	10	FECE	
O=C1N=C(N2CCOCC2)S/C1=C\c1c(F)cncc1Br	849243138	GOMHGEROQDZPDX-WZUFQYTHSA-N	372.219	2.286	10	10	FECE	
C[C@@H](N[C@@H]1CNOC1)c1cc(Br)cc(Br)c1O	925861961	JSFAZAIMDCLKOQ-HTRCEHHLSA-N	366.053	2.471	10	10	FECE	
O=[N+]([O-])c1ccc(O)c(CNCC2(OCCO)CCC(F)(F)CC2)c1	858236325	IVIAKRAYAJNULD-UHFFFAOYSA-N	360.357	2.347	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N(C)c2ccc(OC)cc2OC)c1	752448827	QYKVKMPZLPKJMC-VMPITWQZSA-N	355.394	2.135	10	10	FECE	
Cc1ccc(O[C@@H]2CCN(CC(=O)NCc3ccc(N(C)C)cc3)C2)nc1	858036532	IJBICKCOLJMLCQ-LJQANCHMSA-N	368.481	2.226	10	10	FECE	
COC(=O)c1cccc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	855230529	DWAXQOVVIPGQFT-MRXNPFEDSA-N	354.406	2.491	10	10	FECE	
Cc1ccc(/C=C/C(=O)N2CCOc3ccc(S(C)(=O)=O)cc32)cn1	754370100	VOWKDYNSTGBESG-VMPITWQZSA-N	358.419	2.232	10	10	FECE	
COc1cccc(CNC(=O)c2cc(C)n(-c3nc(C)cc(C)n3)n2)c1O	764101189	PLBZYOLPAAABNT-UHFFFAOYSA-N	367.409	2.232	10	10	FECE	
COc1cccc(CNC(=O)NCC[C@@H]2COc3ccccc3O2)c1O	767186210	SWMAAYMBKWJXGG-CQSZACIVSA-N	358.394	2.430	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC(n3ccnn3)CC2)c([N+](=O)[O-])c1	770500509	DNKOAFDAXQZRBZ-HYXAFXHYSA-N	357.370	2.214	10	10	FECE	
CO[C@H](C(=O)N[C@@H](C)c1ccccc1O)C1CN(C(=O)OC(C)(C)C)C1	1877567972	QJPCJWTYFCGKQF-LRDDRELGSA-N	364.442	2.451	10	10	FECE	
COc1ccc(CNC(=O)Cc2nnc(-c3ccccc3)n2C)c(O)c1	1139032879	RYZFAXMHWYUHSX-UHFFFAOYSA-N	352.394	2.055	10	10	FECE	
CC[C@H](C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)C(=O)OC	790837629	CNAKMALIAUVRRV-LJQANCHMSA-N	373.497	2.034	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1Cc2cc(F)ccc2NC1=O	1147888279	MRWNMCCJMAKNII-OAHLLOKOSA-N	369.396	2.428	10	10	FECE	
C[C@H]1NC(C(=O)NCc2cccc(Cl)c2O)=NN(c2ccccc2)C1=O	1305069743	NALRRUMWRPKONQ-LLVKDONJSA-N	372.812	2.000	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CC[C@@H](c3noc(C)n3)C2)c([N+](=O)[O-])c1	1307208563	IZSDHXBPCPDUPW-RYWCDNDXSA-N	358.354	2.466	10	10	FECE	
CCOc1cccc(CNC2(CNC(=O)OC(C)(C)C)COC2)c1O	707874954	BMIGLFPZORKDGE-UHFFFAOYSA-N	352.431	2.174	10	10	FECE	
COc1ccc(O)c(CNC[C@@H]2C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c1	2116204439	BQJFCYSJAOHNQL-MJEQTWJJSA-N	366.458	2.155	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc3c(c2)CCO3)[C@@H](CO)C1	2116266362	BVFWOQFCJAKKJD-SJORKVTESA-N	362.470	2.329	10	10	FECE	
CC(=O)Nc1cnccc1C(=O)NCc1cccc(Br)c1O	1467765085	WAVGCHSHWVXBIA-UHFFFAOYSA-N	364.199	2.438	10	10	FECE	
CN(C)c1n[nH]c(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)n1	1471223541	DKHFXPBVFXWGMT-UHFFFAOYSA-N	370.413	2.081	10	10	FECE	
O=C(CCCN1CCN(c2ccccc2)CC1)NCc1cc(O)ccc1O	1471660834	BDNKVGDRLPTEIL-UHFFFAOYSA-N	369.465	2.316	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(F)cc3N)cc2)C1	1625271436	OGHFWCAXQZOPAF-CQSZACIVSA-N	370.428	2.040	10	10	FECE	
Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1ccc(N=NC(N)=O)cc1	1632005398	FZCFTDIURVLZRR-CQSZACIVSA-N	356.386	2.403	10	10	FECE	
Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)c(O)c1O	1632817667	BAVMJDUOJYULLG-ZWKOTPCHSA-N	368.433	2.132	10	10	FECE	
COC(=O)[C@]1(C)C[C@H](OC)CN1Cc1cc(Cl)cc(C(C)=O)c1O	1647989012	ABNISYVKFKKUGM-GUYCJALGSA-N	355.818	2.401	10	10	FECE	
Cn1cc(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)c(CNC(=O)OC(C)(C)C)n1	2124539179	RMYCQOOMYLIGDA-LLVKDONJSA-N	363.422	2.360	10	10	FECE	
O=C(NCc1cccc(O)c1O)c1nc(Br)c2ccccn12	1651175873	REPDTIUKXFIDTH-UHFFFAOYSA-N	362.183	2.438	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2124502561	ADCIEUDLKFNQSU-DYVFJYSZSA-N	367.450	2.297	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2124533201	BLIBEWXWNBJSNV-OLZOCXBDSA-N	367.450	2.465	10	10	FECE	
O=C(O)/C=C/c1ccc(O)c2c1[C@H](C(=O)O)[C@@H](c1ccc(O)c(O)c1)O2	13383395	GJHXGOBGPWPCCK-BPZRLTIMSA-N	358.302	2.203	10	10	FECE	biogenic,in-vitro
CO[C@@H]1C[C@H](C(=O)NCc2cccc(C)c2O)N(C(=O)OC(C)(C)C)C1	2139760088	ODOZYYBEGOBLSH-HUUCEWRRSA-N	364.442	2.341	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@@H]1CC(=O)CCO1	1951991740	BUCIRXCZGBNQQM-CJNGLKHVSA-N	351.399	2.282	10	10	FECE	
CC(C)(C)OC(=O)N1CCSC[C@H](NCc2ccc(O)c(O)c2O)C1	2036058611	YXTUCFDCZWXCLE-GFCCVEGCSA-N	370.471	2.246	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1	866597155	ONEFTKVLMLYBCH-IBGZPJMESA-N	364.442	2.377	10	10	FECE	
Nc1ccc(CNS(=O)(=O)c2ccc(N)cc2Br)cc1	2191638722	WVQGGWPCGKBVHY-UHFFFAOYSA-N	356.245	2.092	10	10	FECE	
C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1ccc(O)c(O)c1	2054412898	HHZANKKZTNJXLL-NSHDSACASA-N	350.415	2.473	10	10	FECE	
C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2060634903	FKJILXUTCJBDAC-AGIUHOORSA-N	355.439	2.200	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2060613688	UIZHXPYWSLPXJZ-YNEHKIRRSA-N	353.423	2.048	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@@H](N=[N+]=[N-])C1)[C@H]1CCOC1	2060621207	LBMVRONCMUVIDP-XQQFMLRXSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CN(CCCOc2ccc(N)cc2)CCO1	2106761931	AEUAFYGAJSFTEE-KRWDZBQOSA-N	365.474	2.263	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(CC(=O)Nc2ccc(N)cc2)C1	2106750223	IUCBQUQNRUIDQD-KGLIPLIRSA-N	362.474	2.442	10	10	FECE	
CN[C@@H](c1ccc2c(c1)CCN2C)[C@H](CN(C)C)NC(=O)OC(C)(C)C	2106857439	KUPRBOBUPGRAAL-WMZOPIPTSA-N	362.518	2.394	10	10	FECE	
COC(=O)[C@@H](CCNCc1cc(F)cc(F)c1O)NC(=O)OC(C)(C)C	2088542438	IFRFLAICXFJRDN-CYBMUJFWSA-N	374.384	2.216	10	10	FECE	
COCC1(C(=O)NCc2ccccc2O)CC(NC(=O)OC(C)(C)C)C1	2225223754	RAEUWATVYOIZQO-UHFFFAOYSA-N	364.442	2.328	10	10	FECE	
CN(C)c1ccc([C@@H](O)[C@@]2(C(=O)O)C=CCN2C(=O)OC(C)(C)C)cc1	2228868631	OMOAVEULBSAPMX-DNVCBOLYSA-N	362.426	2.416	10	10	FECE	
COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)NCc1ccccn1	2295043571	PPDRXIKEOXPHDP-UHFFFAOYSA-N	364.405	2.411	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N[C@H]1CCN(c2c(F)cccc2F)C1=O	2307989854	MZHPFGMTUOBMRR-AWEZNQCLSA-N	374.343	2.311	10	10	FECE	
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(OC)c1OC(C)=O	54486377	KSYDVAMPTAXRCM-GHXNOFRVSA-N	353.421	2.460	10	10	FECE	
COc1ccc(N2CCN(C=O)CC2)cc1NC(=O)Cc1ccc(F)cc1	62160225	OYALXWNDZQFXHJ-UHFFFAOYSA-N	371.412	2.294	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2CC(=O)N1CCO[C@H]2CCCC[C@@H]21	175031438	VRJDSHXLPGHLMP-ROUUACIJSA-N	359.470	2.121	10	10	FECE	
CCN1CCN(C[C@@H](C)CN[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1	121103065	GIWOXTSUZXHXFJ-PMACEKPBSA-N	374.573	2.447	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)c2cc3c(=O)[nH]cnc3cn2)cc1F	189375950	MEGDQBSEAPPKED-UHFFFAOYSA-N	369.400	2.233	10	10	FECE	
O=C(Cn1cnnn1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12	121770691	BDBCJQFHSFDZCZ-FQEVSTJZSA-N	359.389	2.438	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)CC2)cc1	74629846	LWHRWVJVOXAPDN-UHFFFAOYSA-N	363.421	2.443	10	10	FECE	
COCCNC(=O)Cn1cc(N[C@H](C)c2cc(Cl)ccc2O)cn1	186498123	AQNUKUXMFAYKPR-LLVKDONJSA-N	352.822	2.178	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCCCN3CCCCC3)CC2)cc1	73046424	CFSYBRBQBYXXCH-UHFFFAOYSA-N	360.502	2.403	10	10	FECE	
CCCN(CCC)c1ccc(CN2CCC[C@@]3(C2)NC(=O)NC3=O)cc1	193471392	LDVSJSXXXHXCLF-FQEVSTJZSA-N	358.486	2.487	10	10	FECE	
COc1ccc(N2CCN(C(=O)/C=C\c3cnn(C)c3C)CC2)cc1F	254972997	XVWKNXIUSDQZBC-DAXSKMNVSA-N	358.417	2.238	10	10	FECE	
Cc1cccc2c1N(C(=O)C1=C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)CCN2	2381024197	URSWEEGUXUAIAR-HOTGVXAUSA-N	373.453	2.338	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1	808517949	TXEXDLMKNGVWOY-INIZCTEOSA-N	357.328	2.142	10	10	FECE	
CCc1nc(CNC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)cs1	805192667	SHMBPVPZTPLYTG-UHFFFAOYSA-N	374.510	2.436	10	10	FECE	
CC(C)(C)OC(=O)NC1CCN(CCNCc2ccc(O)c(O)c2)CC1	721877330	FTKIFWRHCRMADC-UHFFFAOYSA-N	365.474	2.177	10	10	FECE	
COC(=O)[C@H]1CSCCN(Cc2ccc(Br)cc2O)C1	826130018	CVXUAHVAUNYYHU-LLVKDONJSA-N	360.273	2.493	10	10	FECE	
C[C@H](NS(=O)(=O)c1cscn1)c1ccc(N2CCOCC2)cc1	827043401	LAZVEDHMJOBUPR-LBPRGKRZSA-N	353.469	2.019	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Nc3cccc4c3CNC4=O)C2)cc1	823364386	VWFHNRGNXDKFQU-ZDUSSCGKSA-N	366.421	2.339	10	10	FECE	
CCOCCOC(=O)c1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1	586741859	VBGIEKFKAJHNQP-UHFFFAOYSA-N	361.350	2.249	10	10	FECE	
Cc1cc(C(=O)CN2CC[C@@H](C(=O)O)C2)c(C)n1-c1ccc2c(c1)OCO2	836687190	NZBUYRGKVUBACR-CQSZACIVSA-N	370.405	2.412	10	10	FECE	
C/C(=C/C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)CN1CCOCC1	910558171	LMGGRCKONFLJRR-XOQYZJNISA-N	359.514	2.387	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC23CCN(CC2)C3)C1	913633728	LJJHLXZIGXZFQZ-UHFFFAOYSA-N	366.509	2.372	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1	845810433	STYOFJWBABOAPU-UHFFFAOYSA-N	364.427	2.267	10	10	FECE	
COc1ccc(O)c(CNc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)c1	848924314	PQTCCVXZXLHTSJ-IBGZPJMESA-N	355.394	2.410	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CN[C@H]3CCNC34CCCC4)cc2)C1	925484426	FFMWYTLZIMCPMP-HKUYNNGSSA-N	356.514	2.153	10	10	FECE	
CO[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[C@H]1CCOC1	857577812	DRNNQSOBFRKSBJ-YUNKPMOVSA-N	365.385	2.452	10	10	FECE	
O=C1N[C@@H](CC2CCOCC2)C(=O)N1CCCSc1nccs1	924639128	CKOQUEAYHQBDQU-LBPRGKRZSA-N	355.485	2.362	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)NCC3(C4CC4)CC3)CC2)cc1	752152288	AQKAHVVTMRJLGU-UHFFFAOYSA-N	372.513	2.307	10	10	FECE	
C[C@H]1CC2(CO1)CC(NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C2	1119756438	LEMZFEXRISWYQL-YHLAAPATSA-N	359.470	2.004	10	10	FECE	
CCc1cnc(N2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)s1	779526573	ZRYCDQOFWZQGFD-XQRVVYSFSA-N	359.451	2.479	10	10	FECE	
Cc1cc(CCNC(=O)N(C[C@H](C)O)[C@H](C)CO)c(C)n1-c1ccccc1	785862188	ODDQICPAUJVZTG-SJORKVTESA-N	373.497	2.410	10	10	FECE	
COC(=O)[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1ccccn1	1159494600	JVLUEGFFDCGAPB-OAHLLOKOSA-N	358.375	2.352	10	10	FECE	
NC(=O)COc1ccccc1C(=O)NCc1c(O)ccc2ccccc12	1179029285	MWRFALXEBQQUAB-UHFFFAOYSA-N	350.374	2.340	10	10	FECE	
CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)NCCN=[N+]=[N-])C1	1963815651	AYSAJPYELGAWOL-RHSMWYFYSA-N	361.402	2.229	10	10	FECE	
Cc1ccc(OCCN(C)C(=O)C(=O)N(C)Cc2ccccc2O)cc1	1261304069	HLEBXMHFDKLAMH-UHFFFAOYSA-N	356.422	2.196	10	10	FECE	
CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1CCC(=O)N(C)C	1509138176	MQPZEYSPONTEST-UHFFFAOYSA-N	359.474	2.297	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-c2cccnc2)nn1C	1296245721	GUVSFCKXSRUDCE-GFCCVEGCSA-N	352.394	2.254	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F	1558112893	FLWKTMFWLSTQOM-CXAGYDPISA-N	369.339	2.291	10	10	FECE	
CCOc1cc(/C=C2/SC(=S)N(N3CCOCC3)C2=O)ccc1O	2210164	IPLCOYXVSNKWPT-GXDHUFHOSA-N	366.464	2.239	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)N3CCO[C@H](C(C)(C)C)C3)cc2)CC1	1565273242	RTLBPYDNLWEOPH-IBGZPJMESA-N	374.529	2.395	10	10	FECE	
C[C@H]1CC(=O)Nc2ccc(C(=O)NCCc3ccc(O)c(O)c3)cc2N1	1595752887	SUYIWXFYGZTIAC-NSHDSACASA-N	355.394	2.213	10	10	FECE	
CC(C)CNC(=O)N1CCC[C@H](CC(=O)NCc2cc(O)ccc2O)C1	1593873131	JPSLCUYJSXIVAM-CQSZACIVSA-N	363.458	2.182	10	10	FECE	
CC(C)(C)OC(=O)N1CCn2cnc(C(=O)NCCCCN=[N+]=[N-])c2C1	1964945132	UBJITNNRXBYRJQ-UHFFFAOYSA-N	363.422	2.454	10	10	FECE	
COc1ccc(CN[C@@H]2CC[C@H](CNC(=O)Cn3cccn3)C2)cc1C	1691207838	GIVQOCWZHZXALT-ZWKOTPCHSA-N	356.470	2.275	10	10	FECE	
CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(N3CC=CC3)cc1)CC2	155177130	IEEZNVKJLXFXFE-INIZCTEOSA-N	366.469	2.031	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCC(Nc3cccnn3)CC2)cc1F	154289325	OCZKQNPUKKJFTQ-UHFFFAOYSA-N	372.448	2.468	10	10	FECE	
CN(C)c1ccc([C@@H](NC(=O)c2cc(N)ccc2O)c2nccn2C)cc1	1866085926	GQNIUOVFDSYUKY-GOSISDBHSA-N	365.437	2.293	10	10	FECE	
CC(C)[C@H](CCNC(=O)c1cc(O)c(O)c(O)c1)NC(=O)OC(C)(C)C	2132410360	MLYQFSNBQNGBNG-LBPRGKRZSA-N	368.430	2.473	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(Cc2ccccc2O)C1	1972299961	FHZIDBHJSKOWHG-KGLIPLIRSA-N	350.415	2.335	10	10	FECE	
COC1(CNCc2ccc(F)c(F)c2O)CN(C(=O)OC(C)(C)C)C1	2040147392	WJVDXYHWVICUDQ-UHFFFAOYSA-N	358.385	2.396	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2060611029	OMEKQWSPDDPEBG-UPJWGTAASA-N	353.423	2.312	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@]1(C(=O)N2CCC(N=[N+]=[N-])CC2)CCOC1	2060634028	UUNFUFLTFLRZSW-MRXNPFEDSA-N	353.423	2.314	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060634177	WOOCIJDLODDCFY-AVGNSLFASA-N	353.423	2.170	10	10	FECE	
CN(C(=O)C1=C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1	2080948258	SHCQNRQPOLDFJT-HUUCEWRRSA-N	350.390	2.373	10	10	FECE	
C[C@@H](CNC(=O)c1ccn(-c2ccc(N)cc2)n1)NC(=O)OC(C)(C)C	2106229689	AEKRTCSXCPLIQQ-LBPRGKRZSA-N	359.430	2.098	10	10	FECE	
C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)COc1ccc(N)cc1	2106778385	CRBQASGESDIJEZ-KGLIPLIRSA-N	363.458	2.409	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCCN(c2cc3c(cc2N)OCC(=O)N3)C1	2106707735	QZTNMGXXZDKCEU-NSHDSACASA-N	362.430	2.093	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CCN2C(=O)CCOc2ccc(N)cc2)C1	2106704279	XPVTVTSNZDNGDD-UHFFFAOYSA-N	361.442	2.260	10	10	FECE	
CN1CCc2cc([C@@H](N)C3(O)CC(CNC(=O)OC(C)(C)C)C3)ccc21	2106849137	RJPAUIULVRSGFQ-DJMMNXNOSA-N	361.486	2.345	10	10	FECE	
Cc1cccc(CNC(=O)c2cnc(CNC(=O)OC(C)(C)C)n2C)c1O	2204604316	GVLLHDZOGXEQHX-UHFFFAOYSA-N	374.441	2.389	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(C(=O)N[C@@H]3CCC[C@@H]3N=[N+]=[N-])(CO1)C2	2225796114	UIYIEAYBRJEFJA-YHSCQJQJSA-N	365.434	2.408	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCCN(CC(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])C1	2225794188	CZKPTMGLQDGBLT-MGPQQGTHSA-N	366.466	2.323	10	10	FECE	
COc1cc(N)c(N2CCC[C@H](NC(=O)C(F)(F)F)CC2)cc1OC	2270588601	ZDQQHMYSADVHOV-JTQLQIEISA-N	361.364	2.323	10	10	FECE	
CC1=NN(c2ccc3nncn3n2)C(=O)C1=CNc1c(F)cccc1F	2296888858	GXXZAAUWDPFKSD-UHFFFAOYSA-N	355.308	2.121	10	10	FECE	
CN(CC(=O)OC(C)(C)C)C(=O)C=Cc1ccc(N2CCOCC2)cc1	2297505732	XCANJKQQAHTFGW-UHFFFAOYSA-N	360.454	2.337	10	10	FECE	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc2c(c1)OCCO2	2313570869	IECQAZPIEUAFBD-UHFFFAOYSA-N	368.320	2.263	10	10	FECE	
Nc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1	40166588	XLFRWYKHOALHDO-CQSZACIVSA-N	361.423	2.370	10	10	FECE	
Nc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1	171531505	XKUGMKCFJDPNMI-UHFFFAOYSA-N	355.803	2.351	10	10	FECE	
C[C@@H]1CN(c2ccc(CNS(=O)(=O)CC3CC3)cc2F)C[C@@H](C)O1	267168350	IASBMSUMWFIITL-CHWSQXEVSA-N	356.463	2.269	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NC1CCN(Cc2ccccn2)CC1	588403325	FEYBUCQUGJKQCW-ALCCZGGFSA-N	353.422	2.287	10	10	FECE	
NS(=O)(=O)c1cccc(NCc2c(O)cccc2Br)c1	706851997	GNWJLESTMZTQIK-UHFFFAOYSA-N	357.229	2.414	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)CCOCC3CC3)cc2F)CC1	751273101	WOQWYQLQTJNQDF-UHFFFAOYSA-N	363.477	2.401	10	10	FECE	
Cc1cn2c(n1)CN(C(=O)NCc1ccc(N3CCSCC3)cc1)CC2	782705519	DKSCMGRVLDAXIN-UHFFFAOYSA-N	371.510	2.470	10	10	FECE	
CC(C)/C=C\C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	785058433	IAQHIJYNDSJFOJ-UTCJRWHESA-N	364.417	2.034	10	10	FECE	
CCCN(C[C@@H]1CCCCO1)C(=O)C(=O)NCc1ccc(N(C)C)cc1	785428053	JNDNCBRVSNEVCQ-SFHVURJKSA-N	361.486	2.177	10	10	FECE	
Cc1ccc(C(=O)N[C@@H](C)c2ncc(Br)cn2)c(O)c1O	817279997	WMZLFKBFSXSKMG-QMMMGPOBSA-N	352.188	2.450	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1	835051702	GWGXDDYVBLVWJZ-FZMUQLTDSA-N	365.543	2.369	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1ccc(C(N)=O)nc1	841672193	VASJQGYKGVZGLZ-CYBMUJFWSA-N	355.442	2.308	10	10	FECE	
CCn1ccc(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1	843569106	RFKRGVRGLFDQSO-UHFFFAOYSA-N	367.497	2.365	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C)CCCn3ccnc3)C2)cc1	852452923	FMRSJEDUQIZQET-INIZCTEOSA-N	357.458	2.202	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C[C@@H]1CCC2(CNC2)O1	852746513	MIZKQGYOWQVFRL-AWEZNQCLSA-N	355.276	2.498	10	10	FECE	
CC(C)(N)c1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)on1	852882571	LMBCTJVEFWMRLB-AWEZNQCLSA-N	359.426	2.395	10	10	FECE	
COc1ccc(N(CC(=O)O)CC(=O)N[C@@H]2CCc3ccccc3C2)cc1	853002541	OLIORKNIXVFOET-QGZVFWFLSA-N	368.433	2.260	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)C2)cc1	855232356	QKFSRGCIKXTBFC-LSDHHAIUSA-N	359.470	2.037	10	10	FECE	
Cc1cnn(C)c1NC(=O)C(=O)NCc1cc(C)n(-c2ccccc2)c1C	862108922	LDUCRICONKIGTR-UHFFFAOYSA-N	365.437	2.391	10	10	FECE	
C[C@H](NCc1cc(Cl)cc(Br)c1O)c1nnc(O)n1C	895172308	SKOOBCWGIAUUIG-LURJTMIESA-N	361.627	2.493	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2nnc(O)n2C)cc1F	917611786	YWBLOJCPYWMCOB-LLVKDONJSA-N	364.425	2.066	10	10	FECE	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(C=O)n(C)n2)cc1	931202504	HMIJRBDVFMHXRQ-GOSISDBHSA-N	370.453	2.120	10	10	FECE	
COc1cc(CCC(=O)NCc2cccc(O)c2O)cc(OC)c1OC	1123888391	IKSWQBKOPGEWHC-UHFFFAOYSA-N	361.394	2.373	10	10	FECE	
COc1ccc(C(=O)N2CCC[C@H]2C(=O)NCc2c(O)cccc2O)cc1	1304053547	NJYMPCRDJVQVPP-INIZCTEOSA-N	370.405	2.027	10	10	FECE	
Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NCc1c(O)cccc1F	1456109161	XEIGZSILDPXUQZ-UHFFFAOYSA-N	366.414	2.020	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1ccccc1C(=O)NC[C@H]1CCCO1	1463844950	IXSDLUSVGACJSL-CQSZACIVSA-N	370.405	2.188	10	10	FECE	
CCOc1ccc(N2C[C@@H](C(=O)NCc3c(O)cccc3O)CC2=O)cc1	1645360823	KWRMIKPUCGDGON-ZDUSSCGKSA-N	370.405	2.166	10	10	FECE	
CSCc1n[nH]c(CNC(=O)c2cc3cc(O)c(O)cc3s2)n1	1645621505	FTRRQRGOMHMXML-UHFFFAOYSA-N	350.425	2.224	10	10	FECE	
COC(=O)[C@H]1CCN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)C1	1711441046	KMWMYOMRSMTSOH-INIZCTEOSA-N	357.458	2.009	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@@H]2CN1c1cc2c(cc1N)OCCO2	1905538382	YBIAMWLBWILCRG-TYNCELHUSA-N	361.442	2.389	10	10	FECE	
COc1ccc(Br)c(CNCCS(=O)(=O)C(C)C)c1O	1964043258	STKSTXBTPZJEAC-UHFFFAOYSA-N	366.277	2.076	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CCCNC(=O)c2ccc(O)c(O)c2)C1	2054415185	RIGKIPDFQNJOIN-UHFFFAOYSA-N	350.415	2.475	10	10	FECE	
CO[C@H]1C[C@@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060614441	CJNUYXQGQQIJLF-AVGNSLFASA-N	353.423	2.170	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1c1cc2c(cc1N)OCCO2	2106881255	RNWZXXZNQCVJAH-UWVGGRQHSA-N	359.348	2.076	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1C(F)F	2118177171	YVXJMLZTNSZUIN-QWRGUYRKSA-N	372.368	2.328	10	10	FECE	
CC(C)(C)OC(=O)NCCn1cnc(C(=O)NCC2(CN=[N+]=[N-])CC2)c1	2124536268	PZHMKUKQWYJIOE-UHFFFAOYSA-N	363.422	2.228	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1(C)C	2132400452	MUXFDSMWJDWEKR-STQMWFEESA-N	366.414	2.225	10	10	FECE	
N[C@@H]1C(=O)Nc2cc(N3CCS[C@@H]4CC[C@@H]43)c(Br)cc21	2152204692	CZZSGFWEKSEYFP-UHTWSYAYSA-N	354.273	2.485	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(c1cc3c(cc1N)OCC(=O)N3)C2	2163085690	RKRCRGCDTSWSMO-RYUDHWBXSA-N	374.441	2.188	10	10	FECE	
CO[C@H]1C[C@H](C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2218738504	PQYZCAAHIOQGKY-WUHRBBMRSA-N	353.423	2.358	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-]	2218741747	BGTKFRMIPRVGOW-ZDEQEGDKSA-N	353.423	2.094	10	10	FECE	
COc1ccc(NNC=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1	2297550644	HFYFGGGSFVGHHP-UHFFFAOYSA-N	366.377	2.087	10	10	FECE	
Cc1cc(=O)n(C)cc1NC(=O)C=Cc1ccc(N2CCOCC2)cc1	2297786124	JDVQYAZWTDNZMQ-UHFFFAOYSA-N	353.422	2.182	10	10	FECE	
CC(C)N1C[C@@H](NC(=O)C=Cc2ccc(N3CCOCC3)cc2)[C@H](C)C1	2298534768	UNGYCYURNAFWAC-YLJYHZDGSA-N	357.498	2.381	10	10	FECE	
CC(C)COC1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1	55319050	XDMLAOWTAYDEEO-UHFFFAOYSA-N	370.471	2.041	10	10	FECE	
Cc1cncn1CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	528858733	BHKGBLDJRAXVEA-MRXNPFEDSA-N	362.861	2.331	10	10	FECE	
COc1cccc(N2C[C@@H](NC(=O)/C=C/c3ccc(O)c(O)c3)CC2=O)c1	378547543	JAANZONRSDVAKH-OWNNVSBGSA-N	368.389	2.041	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](c1cccnc1)C1CC1	807100307	IMNLRKGFVIWFMF-IBGZPJMESA-N	366.465	2.340	10	10	FECE	
CC(C)(C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)n1cccn1	828155820	CEIRXZFYUUMZDQ-UHFFFAOYSA-N	356.470	2.143	10	10	FECE	
O=S1(=O)CCN(Cc2cccc(Br)c2O)[C@H]2CCC[C@H]21	825203132	XRJKRRPJMPVJPW-QWHCGFSZSA-N	360.273	2.306	10	10	FECE	
CC1(C)OC[C@@H]2C[C@@]21C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	828155936	CZISXWHDRCVDMS-UWJYYQICSA-N	358.482	2.327	10	10	FECE	
Cc1cc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c(N(C)C)nn1	667483974	XWRZMFGRYVJMNN-UHFFFAOYSA-N	356.430	2.348	10	10	FECE	
CC(C)(C)O[C@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1	834589665	RAMHZWXWDUURBM-MAEOIBBWSA-N	373.497	2.365	10	10	FECE	
Cc1cc(CN2CCN(c3nncn3C)CC2)ccc1N1CCCCC1	847042072	QLBSHORVUMXBFX-UHFFFAOYSA-N	354.502	2.436	10	10	FECE	
CC1(C)CN(Cc2cc(O)n3ncc(C(=O)O)c3n2)CCc2ccccc21	849345557	XZXNLDGIJNQMHY-UHFFFAOYSA-N	366.421	2.469	10	10	FECE	
CC(C)n1ncc2cc(/C=C\C(=O)N3C[C@H](C)Cn4nccc43)c(=O)[nH]c21	922202597	QKRGLEMELNYJAR-ZFDPJTLLSA-N	366.425	2.198	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc1	750639758	XEVXPDSYYVQILH-KYJSFNMBSA-N	358.486	2.341	10	10	FECE	
COC(=O)[C@@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@@H]2CCC[C@@H]12	859951135	JTIGSXOMOWYMCD-IPMKNSEASA-N	373.497	2.032	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)NCCO[C@@H]3CC3(F)F)C2)cc1	852386357	CPKLWCGJKBDVQR-CZUORRHYSA-N	369.412	2.245	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3C[C@@H]4COC[C@]4(C)C3)C2)cc1	852387636	SVNWTWKJOKRZHZ-QINHECLXSA-N	359.470	2.199	10	10	FECE	
CCc1cnc(NC(=O)C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)s1	850537277	OJOBQZYPJCVJDX-LBPRGKRZSA-N	374.466	2.048	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)c1cnc(O)s1	867408910	DRUMSSDYMABLJE-NSHDSACASA-N	355.485	2.133	10	10	FECE	
COc1cc(CN2CCN(c3nccnn3)CC2)c(O)c(C(C)(C)C)c1	862442242	GVDLUXMTBDKMSN-UHFFFAOYSA-N	357.458	2.206	10	10	FECE	
O=C(C(=O)N1CC[C@H](COc2ccccc2)C1)N1Cc2cccc(O)c2C1	1119014432	MGHZTDBMXRGIML-HNNXBMFYSA-N	366.417	2.162	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)N[C@H]1C[C@@H]1c1ccccc1	1117371268	MYDGGWBXMJMKEO-KGLIPLIRSA-N	361.492	2.414	10	10	FECE	
C[C@H](NC(=O)N1CCN(Cc2nccn2C)CC1)c1ccc(N(C)C)cc1	776248712	KDENDHBOKSDRKH-INIZCTEOSA-N	370.501	2.075	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)c1cccc2ncnn12	782166064	FJLLKKYXRIAJBI-UHFFFAOYSA-N	353.451	2.213	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CC(n3cc([C@@H](C)O)nn3)C2)c1	781920527	NGVAPDZXFSNLDX-SNVBAGLBSA-N	367.247	2.165	10	10	FECE	
CCOC(=O)[C@H](CNC(=O)Cc1ccc(O)c(O)c1)Cc1ccccc1	1136429982	YFHHXHYRCTXGIZ-INIZCTEOSA-N	357.406	2.179	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@H]([C@H]3CCCO3)C2)cc1	897488577	GLANIESJRHGIDV-IEBWSBKVSA-N	373.497	2.177	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCC(S(C)(=O)=O)CC2)c1	781913405	UCEZVXOESDYYCC-UHFFFAOYSA-N	362.289	2.472	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)Cn3nnc4ccccc43)C2)cc1	1142802362	QKFAOBQLEMSQDW-HNNXBMFYSA-N	365.437	2.083	10	10	FECE	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCc2nc(=O)o[nH]2)c1	1339537282	QITZPOSXNNECCQ-UHFFFAOYSA-N	360.801	2.396	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@@]1([C@@H]2CCCCO2)CCCO1	1347384660	OUEIGDXIAOVXBO-FPOVZHCZSA-N	374.481	2.258	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](C)(NC(=O)Cc2ccc(O)c(O)c2)C1	1470388411	ZIOXEBNBFGELIN-GOSISDBHSA-N	350.415	2.156	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)CCCn1cnc2c(N)ncnc21	1545504885	KADOWECESLRXOT-UHFFFAOYSA-N	368.441	2.333	10	10	FECE	
CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)c1ccccc1O	1471194428	KFBYFJMFFZOIQZ-BBRMVZONSA-N	358.442	2.066	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCC(CCN3CCOCC3)CC2)cc1	1640818652	YCHKYKVOSQXECC-UHFFFAOYSA-N	373.457	2.424	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@]1(CO)CCCN1C(=O)OC(C)(C)C	2124176986	NOJDHHUHZPAZGB-IBGZPJMESA-N	364.442	2.113	10	10	FECE	
CC(C)(C)OC(=O)N1CCCN(C(=O)c2cc(O)c(O)c(O)c2)CCC1	2132414480	XMDBPWQZUTVMRP-UHFFFAOYSA-N	366.414	2.277	10	10	FECE	
COc1cccc(O)c1CNC1(CO)CCN(C(=O)OC(C)(C)C)CC1	2133750564	XMPYWNWDYNZBMN-UHFFFAOYSA-N	366.458	2.252	10	10	FECE	
O=C(OCc1ccccc1)N1CC(CNCc2cc3c(cc2O)OCO3)C1	1914338427	YCJNTKWCCRGYTR-UHFFFAOYSA-N	370.405	2.479	10	10	FECE	
COC(=O)[C@H]1CCN[C@@H](c2cc(I)ccc2O)C1	1952446917	DIOGYJAYORJKIB-GZMMTYOYSA-N	361.179	2.211	10	10	FECE	
CCN(CCCOCc1ccccc1)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1	2153183645	WKDUCXMHGUUNDR-SFHVURJKSA-N	372.465	2.423	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(C(=O)N2CCC(N=[N+]=[N-])CC2)CCCO1	2060634982	GJGIMQMDFWCKSC-INIZCTEOSA-N	353.423	2.362	10	10	FECE	
COc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)cc1C	2063348887	RRHHBPZUDSQGKF-HZPDHXFCSA-N	350.459	2.464	10	10	FECE	
COc1ccc(N2CC(O)(C3CCN(C(=O)C(F)(F)F)CC3)C2)cc1C	2235168159	KHAMMNAAUOGNML-UHFFFAOYSA-N	372.387	2.356	10	10	FECE	
CCOCCO[C@H]1CCN(C(=O)C=Cc2ccc(N3CCOCC3)cc2)C1	2303100466	DMQVASKMFDRCPE-FQEVSTJZSA-N	374.481	2.190	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O	2311682143	WAJKSBWJEMIVBF-MRXNPFEDSA-N	370.380	2.167	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@]12CCO[C@@H]1CN(C(=O)OC(C)(C)C)C2	2315991218	VLWVHJRXSDNQLK-MLGOLLRUSA-N	353.423	2.171	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2C[C@@H]2[C@@H]1CNC(=O)OC(C)(C)C	2357559142	AINDTOTUNWFOCW-PYTWLRIVSA-N	374.485	2.441	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC[C@H]1[C@@H]1CNC(=O)C1	121579252	PPYBQSASEGLTEA-WMZOPIPTSA-N	358.486	2.261	10	10	FECE	
CCNC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1	90412160	CMRPHCQMAJYGTA-GOEBONIOSA-N	364.465	2.117	10	10	FECE	
COc1ccc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccc(N)cc2)cc1	237318268	ASVBURDZISGWFP-GOSISDBHSA-N	353.422	2.450	10	10	FECE	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CC[C@@H](CO)C1	245496791	SDBPUMZSZWSXCD-KGLIPLIRSA-N	369.412	2.281	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2ccn(-c3ccc(N)cc3)n2)C1	2162551546	VIRCHJCLNOSWIN-OKILXGFUSA-N	371.441	2.240	10	10	FECE	
Cc1cc(C(=O)NC[C@@H](CO)c2cccnc2)c(C)n1-c1ccccn1	807849009	HBIJMJZJSRGXAY-KRWDZBQOSA-N	350.422	2.390	10	10	FECE	
C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1csc(Cc2ccc(N)cc2)n1	817918196	WYBCDOQQTTWVQL-DGCLKSJQSA-N	358.467	2.042	10	10	FECE	
CN1CCCc2cc(CNS(=O)(=O)CCC[C@@H]3CCOC3)ccc21	827072623	UJAQNRAOLAIXPO-OAHLLOKOSA-N	352.500	2.305	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NCC1(N2CCCCC2)CCOCC1	588405085	OJDSPCWZUSWMBT-ALCCZGGFSA-N	360.454	2.262	10	10	FECE	
Cc1cc(CCNC(=O)C(=O)Nc2ccn(C)n2)c(C)n1-c1ccccc1	737081236	HXTGXYWCURYDQJ-UHFFFAOYSA-N	365.437	2.125	10	10	FECE	
CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H]1CCN(c2ccccc2)C1=O	588405053	LAEFQKOOOWOJSJ-YHWKNFMLSA-N	352.390	2.375	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)[C@]2(C(=O)OC(C)(C)C)CCCO2)c1	901127999	SNYWVFDMOCEJQY-BUXKBTBVSA-N	365.426	2.469	10	10	FECE	
Cc1cc(C(=O)NCCCN)c(C)n1-c1ccc(Br)cn1	843291110	BIYPUWMYAQYXRB-UHFFFAOYSA-N	351.248	2.330	10	10	FECE	
COC(=O)c1cnc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)s1	919909173	NPLZOZZVWNPJKB-UHFFFAOYSA-N	372.450	2.305	10	10	FECE	
Cc1cc(Br)cc(C)c1NC(=O)NCCCN1CCNCC1	841050044	DCUHKWGIFSJMQS-UHFFFAOYSA-N	369.307	2.483	10	10	FECE	
CCOc1ccncc1S(=O)(=O)Nc1cccc(N2CCOCC2)c1	840911546	GVLOANIWOGJTNS-UHFFFAOYSA-N	363.439	2.118	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)NCCCNCc2cccnc2)c1	841935990	NKMILDLMELTACP-AWEZNQCLSA-N	358.442	2.336	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Cc3c(C)cc(C)nc3O)C2)cc1	912293155	SZKSWTWNPRHNPY-OAHLLOKOSA-N	355.438	2.350	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N1C[C@@H]2CCC[C@H](C1)N2	841707760	ZNSGFVYLDCRURG-CALCHBBNSA-N	360.527	2.276	10	10	FECE	
CC1(C)CCC[C@H](OC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1=O	840219619	XSPWIOKONLOTQK-ZDUSSCGKSA-N	355.412	2.068	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cnc4cc(C)nn4c3C)C2)cc1	855233503	ZNRMLKXUFSFDQH-HNNXBMFYSA-N	365.437	2.363	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCN2C2CCOCC2)c1	927648468	LYKIQYSTQFZXLZ-ZFWWWQNUSA-N	363.458	2.014	10	10	FECE	
Cc1cc(C)c2c(N)c(C(=O)OC[C@H](C)CS(C)(=O)=O)sc2n1	757980159	IMMXFFPFFYJXHX-QMMMGPOBSA-N	356.469	2.333	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@H]4COC[C@H]4C3)C2)cc1	852386937	NMLREMICPBIPGU-IXDOHACOSA-N	359.470	2.199	10	10	FECE	
C[C@@](O)(CC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)C1CC1	768913629	MQIDTAXDFNLVFN-JOCHJYFZSA-N	371.525	2.386	10	10	FECE	
CSCCc1ccccc1NC(=O)C(=O)NCCc1ccc(N)cc1	868247082	ZZFZQLZQEJJWRO-UHFFFAOYSA-N	357.479	2.472	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2c[nH]nc2[C@H]2CCCO2)cc1	869143014	UAOYVFLHNYKQNA-QGZVFWFLSA-N	358.442	2.478	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)[C@H]1CCN(CC(F)(F)F)C1	862025906	BYIFSWOBCSJVRC-ZDUSSCGKSA-N	353.344	2.441	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CC[C@]3(CNC(=O)C3)C2)c1O	788383827	NNUQSWNKJYLLHU-FQEVSTJZSA-N	354.406	2.044	10	10	FECE	
C[C@H](NC(=O)c1c(F)ccc(O)c1O)c1ccc(S(C)(=O)=O)cc1	789949278	IEDJJWIALJODNM-VIFPVBQESA-N	353.371	2.131	10	10	FECE	
C[C@H](NC(=O)[C@H]1C[C@H](O)CN(C(=O)OC(C)(C)C)C1)c1ccccc1O	1877573902	QEMGEXRHFRJLJL-IHRRRGAJSA-N	364.442	2.187	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)N(C)C)cc1	896671198	IMPBUBLBDHKCTL-KVPLUYHFSA-N	372.513	2.246	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)C[C@H](CO)C1	1879575912	LZECJFWRBRZFKS-XNJGSVPQSA-N	367.450	2.201	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1cncc2nc(C(F)(F)F)[nH]c12	1162278940	OFZJWKOWENDAMU-UHFFFAOYSA-N	352.272	2.318	10	10	FECE	
COc1ccc([C@H](C)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(O)c1	702796251	NZPRILAYOIGMKN-DCGLDWPTSA-N	366.458	2.279	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@]2(C)COC[C@@]2(C)C1	1327291065	QLIIJHLIMRTLFI-BGYRXZFFSA-N	360.454	2.016	10	10	FECE	
OCCN(Cc1cc(Cl)cc(Br)c1O)C[C@H]1CCCN1	708111895	YIVHTMNGDOLXOT-GFCCVEGCSA-N	363.683	2.354	10	10	FECE	
OCCN[C@H]1CCCN(Cc2cc(Cl)cc(Br)c2O)C1	708133139	HWDVJGMXCFLKGY-LBPRGKRZSA-N	363.683	2.354	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(-c2cccnc2)n1CC1(O)CC1	1503486766	CYCARSBNLSZSLJ-UHFFFAOYSA-N	351.410	2.207	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)c3cc(=O)cc[nH]3)cc2F)C[C@@H](C)O1	1464311176	VMVAXCHIXFZEST-BETUJISGSA-N	359.401	2.058	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)N3C[C@H]4CCCC[C@H]43)cc2)CC1	1638483657	AFKKRRIQFFOFPO-IEBWSBKVSA-N	370.497	2.472	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)N[C@H](CO)CC2CCC2)N(C)C)cc1	1565452479	DXYFXKZUAPCQAG-HKUYNNGSSA-N	362.518	2.206	10	10	FECE	
CN(CCc1nccc(C(F)(F)F)n1)C(=O)Cc1ccc(O)c(O)c1	1648507964	GHZWIEYIQASQMC-UHFFFAOYSA-N	355.316	2.150	10	10	FECE	
CO[C@H]1C[C@H](C(=O)NCc2ccccc2O)CN(C(=O)OC(C)(C)C)C1	2124339204	WLIQAFINDZITOK-GJZGRUSLSA-N	364.442	2.280	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC[C@H](C3OCCO3)C2)c([N+](=O)[O-])c1	1772825496	ZIRGMKSHTKGEGR-VSKVDJIOSA-N	362.382	2.370	10	10	FECE	
Cc1cc(C(N)=O)c(NC(=O)CNCc2cc(Cl)ccc2O)s1	1857856050	ITRZEDKEUPMIAF-UHFFFAOYSA-N	353.831	2.243	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N(C)C[C@@H](O)COCc1ccccc1	1916365618	ZKTARROIEXJPGQ-HNAYVOBHSA-N	357.454	2.105	10	10	FECE	
O=C(N[C@@H]1COCC[C@H]1NCc1ccc(O)c(O)c1)OCc1ccccc1	1943954467	IAEPNFIAFQOQLQ-IAGOWNOFSA-N	372.421	2.271	10	10	FECE	
O=C(N[C@@H](CCc1ccc(O)c(O)c1O)C(=O)O)OCc1ccccc1	1951424128	WSJPQQYRUZRCHF-ZDUSSCGKSA-N	361.350	2.116	10	10	FECE	
CC(C)(C)OC(=O)NCc1ncc(C(=O)C(=O)C[C@H]2C[C@H](N)C2)s1	2003170079	OJYFXDZOSDCTHB-MGCOHNPYSA-N	353.444	2.047	10	10	FECE	
COC(=O)[C@H](CCNCc1cc(F)ccc1O)NC(=O)OC(C)(C)C	2028194515	CDUQCNOTZYYLDA-ZDUSSCGKSA-N	356.394	2.077	10	10	FECE	
C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1c1cc2c(cc1N)OCCO2	2163085031	JSKAWEULCWAYHW-FTGAXOIBSA-N	373.375	2.322	10	10	FECE	
CN(C)c1ccc([C@@H](N)c2cn(C)nc2I)cc1	2044753917	FWRXWZBBORHCCV-GFCCVEGCSA-N	356.211	2.139	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)c1cn(C)nc1CNC(=O)OC(C)(C)C	2060637222	IPVZNALFLLDEMI-UHFFFAOYSA-N	351.411	2.217	10	10	FECE	
COC1CC(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)(N(C)C(=O)OC(C)(C)C)C1	2060612710	JPAQKFRKZYKJNJ-OPGSHWCFSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@H]1C(=O)NCCc1ccc(O)c(O)c1	2085021285	DJTHQNUXPHXKAL-OLZOCXBDSA-N	350.415	2.060	10	10	FECE	
CC(C)(C)OC(=O)NC1[C@H]2C[C@H]1CN(c1cc3c(cc1N)OCCO3)C2	2106708816	FIQROEUGGJZNDT-RYUDHWBXSA-N	361.442	2.389	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](Nc3c(N)cccc3C(N)=O)[C@H]2C1	2108846382	WBTXPZQZTSUNDG-CORIIIEPSA-N	360.458	2.425	10	10	FECE	
CN1CCc2cc([C@@H](N)C3CN(C4CN(C(=O)OC(C)(C)C)C4)C3)ccc21	2284482074	QPWBFEKLADWSCF-LJQANCHMSA-N	372.513	2.230	10	10	FECE	
Cc1nnc(CNC(=O)C=Cc2ccc(N3CCOCC3)cc2)n1C1CC1	2307965206	IYAWERLNWXMLJQ-UHFFFAOYSA-N	367.453	2.088	10	10	FECE	
CNC(=O)c1cncc(C=CC(=O)N2CCN(C3CC3)c3ccccc32)c1	2310249791	XEXKYBLVYDMLBY-UHFFFAOYSA-N	362.433	2.470	10	10	FECE	
O=C(O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(F)cc2F)SC1=S	2323831291	QXWVENMYTCFSSH-VIFPVBQESA-N	373.358	2.094	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H]1COC[C@H]1N(CC)C(=O)OC(C)(C)C	2315992001	GCOLPVUAOHNWKS-CHWSQXEVSA-N	355.439	2.417	10	10	FECE	
CC[C@@H](CS(C)(=O)=O)NCc1ccc(C)c(Br)c1O	2352680375	NVDHWIPFVGGSPP-NSHDSACASA-N	350.278	2.376	10	10	FECE	
Cc1cc(O)cc(=O)n1[C@@H](C)C(=O)NCc1ccc(N2CCCC2)cc1	178057951	UIDYTNXDVAREHY-HNNXBMFYSA-N	355.438	2.340	10	10	FECE	
CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1C[C@]1(O)CCO[C@@H]1C	1509137274	JUPOGNQYQRQQQB-FOIQADDNSA-N	374.485	2.359	10	10	FECE	
CC(=O)C(=O)COC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1	808493386	CAXHPZPMXQKPDI-UHFFFAOYSA-N	373.365	2.450	10	10	FECE	
CN(C)c1c[nH]ccc1=NC(=O)NCc1ccc(N2CCSCC2)cc1	801924962	CVCASHPFQGIYAY-UHFFFAOYSA-N	371.510	2.444	10	10	FECE	
CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)OCC(=O)C(C)=O	808515125	AZIAFVCNBFFBMS-LBPRGKRZSA-N	372.464	2.052	10	10	FECE	
CCOC(=O)[C@H](C)[C@H](C)NC(=O)/C=C\c1ccc(N2CCOCC2)cc1	588428660	MCIFACQFYQVQDR-SELBCVKXSA-N	360.454	2.240	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)NC2CCN(C(=O)C(C)C)CC2)c1	728944306	UDXLTJRNXFSATP-CYBMUJFWSA-N	363.458	2.408	10	10	FECE	
CC(=O)N[C@@H](C)C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	748120355	BYIFKFHZUVDHBF-LBPRGKRZSA-N	360.385	2.484	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@H](n4cc(C)cn4)C3)C2)cc1	852447738	DOCZEDNUSNKVNQ-AEFFLSMTSA-N	369.469	2.435	10	10	FECE	
CCOC(=O)[C@@]1(F)CN(C(=O)c2ccc(C)c(O)c2O)CC12CCC2	855243296	WRKYOOGGLGDGFC-SFHVURJKSA-N	351.374	2.304	10	10	FECE	
COc1ccc2ncc(C(=O)N[C@H](C)Cc3ccc(N(C)C)cc3C)n2n1	854947569	AXIRQSXVDRSOJC-CQSZACIVSA-N	367.453	2.473	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)cc1	853456393	IQKMINPFYMKPCQ-ZBFHGGJFSA-N	367.515	2.298	10	10	FECE	
CCN1CCC[C@@H](CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	852456597	ZEMGRLSOTXDXOM-IRXDYDNUSA-N	360.502	2.305	10	10	FECE	
COc1cccc(CNS(=O)(=O)C[C@@H](OC)c2ccc(F)cc2)c1O	859006222	JVHZCWAYPHBGSX-MRXNPFEDSA-N	369.414	2.347	10	10	FECE	
COC[C@]1(C(=O)OC)CCCN1C(=O)c1cc(C)n(-c2ccccn2)c1C	855374026	CKWCKXALIKGZJF-FQEVSTJZSA-N	371.437	2.283	10	10	FECE	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@]12CCCC[C@H]1C2	864937540	SXBAOQYXHGIDPP-QFBILLFUSA-N	362.495	2.118	10	10	FECE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	864954596	SUVOOOXPPXIBQE-BMYMKOSGSA-N	355.482	2.297	10	10	FECE	
CN(C)c1cc(F)c(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1F	862215090	HSWLRVLDDIZXBB-CQSZACIVSA-N	367.440	2.102	10	10	FECE	
COc1ccc(N2CCCN(C(=O)Nc3cc(OC)n(C)n3)CC2)cc1	775910816	KPUBVJULXFINRH-UHFFFAOYSA-N	359.430	2.182	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCOC1(C)C	1118679232	BIHPXXSHEBPEMP-MRXNPFEDSA-N	362.470	2.452	10	10	FECE	
COC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(O)cc2)s1	788047398	LNLKMVVRJBAPGO-UHFFFAOYSA-N	356.425	2.153	10	10	FECE	
CC(=O)c1cncc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1	885488125	JUDHWLUSZSCFAL-UHFFFAOYSA-N	369.421	2.166	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@@H]1[C@@H]2CCCO[C@@H]21	780026603	YUSGFDJTFQQGNX-HBMCJLEFSA-N	369.509	2.260	10	10	FECE	
O=C(N[C@]1(C(=O)NCc2ccccc2O)CCOC1)OCc1ccccc1	780983849	HEEXCRBAXRNMSO-HXUWFJFHSA-N	370.405	2.094	10	10	FECE	
CCC(=O)N1CC[C@@H](NCc2c(C(=O)OC)n(C)c3ccc(F)cc23)C1	894332742	QQWZGSUNMWBWNQ-CYBMUJFWSA-N	361.417	2.205	10	10	FECE	
C[C@H](NC(=O)[C@@H]1COC[C@H]1N(C)C(=O)OC(C)(C)C)c1ccccc1O	1877568702	VKIAOEZOAKPMNV-NWANDNLSSA-N	364.442	2.451	10	10	FECE	
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	897488779	LTCPYOKLLRORRN-XIVBQZFQSA-N	355.482	2.311	10	10	FECE	
O=S(=O)(Nc1cccc2c1OCC[C@H]2O)c1cccc2nsnc12	795347793	DBLKOGLUXOIDFU-GFCCVEGCSA-N	363.420	2.308	10	10	FECE	
CN(C)C(=O)/C=C\C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	1294161283	LTRUOKUSHVNAJV-ASCRHOAZSA-N	367.396	2.017	10	10	FECE	
COc1cccc(-n2cc(C(=O)NCc3ccc(N(C)C)c(F)c3)nn2)c1	1527014036	QMPUHBXWSFGMLN-UHFFFAOYSA-N	369.400	2.411	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CC(c2cnn(C)c2)=NO1	1523560892	WYNZDDMKCAREHZ-IBGZPJMESA-N	367.453	2.172	10	10	FECE	
CC(C)COC1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1	1470905860	XPEGBYMSXLMENF-UHFFFAOYSA-N	361.486	2.214	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)C2=C(C)OCCS2(=O)=O)cc1	1540459865	ZSTJJEAQFVXDGP-UHFFFAOYSA-N	366.483	2.168	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@@H]1CCCN1c1ncnc2sccc12	1639289822	XRMCEBIOEYHPHN-ZDUSSCGKSA-N	370.434	2.388	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(Cc2ccc(F)cc2O)C1	1964725191	WFKHTQUDBGPNAM-QGZVFWFLSA-N	354.378	2.085	10	10	FECE	
CC(C)(C)OC(=O)NC1CC(O)(C(=O)N2CCCC[C@H](CN=[N+]=[N-])C2)C1	2127755273	HFXSYNCEUUDAPN-SFYCDEOASA-N	367.450	2.344	10	10	FECE	
C[C@H]1C(NC(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)[C@@H]1C	2136242997	CLYQPCPDAVFRCN-WZRBSPASSA-N	364.442	2.304	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CNC[C@@]1(O)CCCOC1	1971052948	GCEZJYCCSLKKOB-ZDUSSCGKSA-N	350.640	2.439	10	10	FECE	
CC(C)(C)OC(=O)N1CCCCN1S(=O)(=O)Cc1ccc(N)cc1	1999433143	XCGQZMWZYZISGR-UHFFFAOYSA-N	355.460	2.347	10	10	FECE	
C[C@H](O)CN(CCNC(=O)Nc1ccc(N)cc1)C(=O)OC(C)(C)C	2044245708	MECGMIOMTRNLQB-LBPRGKRZSA-N	352.435	2.008	10	10	FECE	
C[C@H](CNC(=O)OC(C)(C)C)N(C)[C@H](C)C(=O)Nc1ccc(N)cc1	2044609914	ASPVQWRWYPXVID-CHWSQXEVSA-N	350.463	2.441	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(O)c(O)c2)[C@H](F)C1	2054399759	VQFLEAHQIYEUCB-NEPJUHHUSA-N	354.378	2.175	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C1	2060640517	WEHBEAUBASDZBD-OLZOCXBDSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H](C(=O)NCC2(CN=[N+]=[N-])CC2)C1	2060619759	QMEDMCUNAOHNQL-LBPRGKRZSA-N	353.423	2.077	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(C(=O)NCCCCN=[N+]=[N-])C1	2060615786	SGTKUGSNUDTVML-MLGOLLRUSA-N	353.423	2.219	10	10	FECE	
C[C@H](NC(=O)[C@H]1COC[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O	2072479915	ONDOGZCGDHEMHD-FPMFFAJLSA-N	350.415	2.109	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1	2084600291	JABHXXBUNQBUEX-GFCCVEGCSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C)CCN(c2cc3c(cc2N)OCC(=O)N3)C1	2106835326	CWDCNJMNSDDLOR-SFHVURJKSA-N	362.430	2.093	10	10	FECE	
CN(c1cc2c(cc1N)OCCO2)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12	2106879599	ANIZGYPKLYEQEU-VXGBXAGGSA-N	361.442	2.342	10	10	FECE	
CNC(=O)CN(Cc1ccccc1)c1cc2c(cc1Cl)[C@@H](NC)C(=O)N2	2095920163	YWIGWPYJWRWEKI-GOSISDBHSA-N	372.856	2.305	10	10	FECE	
COc1cc(OC)c(N(CCO)CCNC(=O)OC(C)(C)C)c(OC)c1	2271489917	SOHNRVUZNCEFMT-UHFFFAOYSA-N	370.446	2.036	10	10	FECE	
CC(C)(C)OC(=O)N1CCOCC[C@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2257615930	NQZIZKIEGFVTLN-OLZOCXBDSA-N	353.423	2.314	10	10	FECE	
CN(C)c1ccc2c(c1)CCN2[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)O	2348188220	QHWFXHHAGRWMDU-IBGZPJMESA-N	363.458	2.483	10	10	FECE	
COc1cccc(CN2CCc3c(cccc3NS(C)(=O)=O)C2)c1O	179419715	XHSMGXBIXIVRES-UHFFFAOYSA-N	362.451	2.331	10	10	FECE	
NC(=O)c1cccnc1N1CCN(Cc2c(O)ccc3ccccc23)CC1	133147981	RVJBGUSTTYGIQA-UHFFFAOYSA-N	362.433	2.362	10	10	FECE	
COc1ccc(N2CCN(c3ccc(NC(=O)NC(C)C)nn3)CC2)cc1	244075197	UBTGUINTRGVMHG-UHFFFAOYSA-N	370.457	2.342	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCO[C@H]([C@@H]3CCCO3)C2)c([N+](=O)[O-])c1	374546955	CNAIVRAFPHZDKC-DGDBIBOCSA-N	362.382	2.165	10	10	FECE	
CCN(CCc1nccs1)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	298622067	LRXAEEXAYYFKRX-UHFFFAOYSA-N	374.510	2.259	10	10	FECE	
Cc1cc(COCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)on1	800865790	UUVZJEZLEBYCRL-OAHLLOKOSA-N	359.426	2.214	10	10	FECE	
COc1cc(Br)cc(CNC[C@@H](CO)c2cccnc2)c1O	808431700	XPCDQLHNGDCPQE-ZDUSSCGKSA-N	367.243	2.424	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3sccc3F)CC2)cc1	815135601	YLUUSPGVYALVBL-UHFFFAOYSA-N	363.458	2.448	10	10	FECE	
CO[C@H]1CCCC[C@H]1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	815378586	CLMDYCUWZMQSMU-MSOLQXFVSA-N	362.470	2.459	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)C34CCN(CC3)C4)cc2F)C[C@@H](C)O1	900269032	IVPHWCQXQOEBQL-GASCZTMLSA-N	361.461	2.151	10	10	FECE	
Cc1ncccc1/C=C\C(=O)N1CCCc2c(OCC(N)=O)cccc21	836873192	KTZCCOZJJQFFJP-KTKRTIGZSA-N	351.406	2.247	10	10	FECE	
Cc1nc([C@H]2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)C2)no1	919909715	WVVMNSWOYUUXMA-INIZCTEOSA-N	353.426	2.453	10	10	FECE	
COC(=O)/C(C)=C/CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1	916226588	TZEUZKYLZXRNDA-RIYZIHGNSA-N	361.442	2.083	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3[C@@H]4CCCC[C@@H]34)cc2)C1	746147244	MMANSWCNNNISOX-KBAYOESNSA-N	355.482	2.441	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H](O)c3ccccc3OC)C2)cc1	912292012	GLVNIGMZQMRTKZ-AUUYWEPGSA-N	356.422	2.132	10	10	FECE	
CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)NCc1ccc(N(C)C)c(F)c1	840280097	HGBHLGWXJWJZQA-AWEZNQCLSA-N	350.438	2.090	10	10	FECE	
CO[C@@H]1CCC[C@H]([C@H](CO)NCc2ccc(N3CCN(C)CC3)cc2)C1	850353624	IRVGKRMHUHYPPL-TYPHKJRUSA-N	361.530	2.094	10	10	FECE	
CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1nccs1	769902907	OJDHHGKUGOGHJA-LLVKDONJSA-N	355.441	2.101	10	10	FECE	
O=C(CCNC(=O)OCC(F)(F)F)NCc1ccc2cccnc2c1O	862028127	QURZDKZRNVHSGT-UHFFFAOYSA-N	371.315	2.235	10	10	FECE	
CC(C)(C)OC(=O)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	764878180	KZCJSXURRDQFDC-UHFFFAOYSA-N	373.497	2.177	10	10	FECE	
COc1cc(O)c(CN(C)Cc2nc(-c3cccnc3)no2)cc1OC	775695135	GNDOFTQQLGJNSA-UHFFFAOYSA-N	356.382	2.486	10	10	FECE	
COc1ccc(O)c([C@@H](C)Nc2ccc3c(c2)CN(CC(N)=O)CC3)c1	788610340	SVRIQSUVURRXRC-CYBMUJFWSA-N	355.438	2.417	10	10	FECE	
Cc1ccc(/C=C/C(=O)N(C)c2ccc(S(=O)(=O)N(C)C)cc2)cn1	785432753	BBWIWTGTEVSYTM-KPKJPENVSA-N	359.451	2.317	10	10	FECE	
O=C(Nc1ccc(F)c(N2CCCS2(=O)=O)c1)c1cccc(O)c1O	790672803	SWLCJQUHBLBKAP-UHFFFAOYSA-N	366.370	2.029	10	10	FECE	
c1cc(CN2CCOCC2)nc(NCc2ccc(N3CCOCC3)cc2)c1	1201803670	ZYAIUTPWWPDJMX-UHFFFAOYSA-N	368.481	2.363	10	10	FECE	
CN1CCc2cc([C@H](O)CNS(=O)(=O)/C=C\c3ccccc3)ccc21	1080793781	MSXWTAXAUKQDLA-LEVJEWGPSA-N	358.463	2.303	10	10	FECE	
C[C@@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)[C@H](C)CCO1	1313213066	YSVGYBSPKQBIJR-IAGOWNOFSA-N	360.502	2.147	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)NCCCCOCc1ccccc1	1322241461	NIXSAKBTPQBCGL-UHFFFAOYSA-N	370.449	2.464	10	10	FECE	
O=C(NCc1cccc(O)c1O)[C@H]1CCCCN1C(=O)c1cccs1	1349080035	XEIQZLOYWVWTDJ-CYBMUJFWSA-N	360.435	2.470	10	10	FECE	
CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCSc1nccs1	1515348580	AJCOTKYBHUQALY-LLVKDONJSA-N	366.516	2.324	10	10	FECE	
Cc1ccc(O)c(CNC(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc23)c1	1453646558	ATNIOPQWELPSDN-GFCCVEGCSA-N	352.394	2.012	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)N3CCN(C(C)(C)C)CC3)cc2)CC1	1479185973	YCNXUJBMBLYUJB-UHFFFAOYSA-N	373.545	2.064	10	10	FECE	
CNC(=O)N[C@@H]1CCN(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)C1	1567390640	XWNFRYPTKFJJPT-QGZVFWFLSA-N	368.437	2.050	10	10	FECE	
COc1ccc(CNC(=O)/C=C/C(=O)N[C@@H](C)c2ccccc2O)cc1	1587450956	BVJYEWIICPMVCJ-GETOMWPZSA-N	354.406	2.451	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4[C@H](CO)[C@@H]4C3)ccc(N)c2C1	2125595161	LNBSQDABDZACPH-MIFYACCESA-N	359.470	2.237	10	10	FECE	
CN[C@@H](c1ccc2c(c1)CCN2C)[C@@]1(O)CN(C(=O)OC(C)(C)C)[C@H]1C	1887689997	BAYWSODIWYUXPS-QKMWGZLOSA-N	361.486	2.310	10	10	FECE	
[N-]=[N+]=NCC1CCN([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2O)CC1	1912162157	SEQVQKREGPSRHX-IAGOWNOFSA-N	359.430	2.391	10	10	FECE	
C[C@H]1C[C@H](CNCc2ccc(Br)cc2O)CCS1(=O)=O	1966091388	VBUSRQKYWKJKOR-WDEREUQCSA-N	362.289	2.458	10	10	FECE	
O=[N+]([O-])c1ccc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)cc1CO	2153995370	HLMFUPXLKSVCBI-PMACEKPBSA-N	369.421	2.177	10	10	FECE	
CCN(c1ccc(CNC)cc1Br)[C@@H](C)CS(C)(=O)=O	2170421950	RXOXCBUIPKETJD-NSHDSACASA-N	363.321	2.428	10	10	FECE	
COc1ccc([C@@H](C(C)C)n2nc(C(F)F)c(C(N)=O)c2N)c(O)c1	2079856903	WKWRLXDGEYTNQO-CYBMUJFWSA-N	354.357	2.461	10	10	FECE	
CCn1cc(N(Cc2ccccc2O)C(=O)C(F)(F)F)c(C(=O)O)n1	2081112055	GDMZEORKTAHQQZ-UHFFFAOYSA-N	357.288	2.402	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCC[C@H](N=[N+]=[N-])C2)C1	2060633010	ITUNUCHGXWAYLJ-LRDDRELGSA-N	353.423	2.050	10	10	FECE	
C[C@@H]1COC[C@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])N1C(=O)OC(C)(C)C	2060618550	AKSVWDDBPABUFE-JHJVBQTASA-N	353.423	2.312	10	10	FECE	
COc1cc(N)c(N2C[C@@H](NC(=O)C(F)(F)F)CC[C@H]2C)cc1OC	2106713942	XSTLRWGHXDNUCO-ZJUUUORDSA-N	361.364	2.322	10	10	FECE	
CN[C@@H](CN1CC(NC(=O)OC(C)(C)C)C1)c1ccc2c(c1)CCN2C	2113002283	WOHKMLKSKHBNHZ-KRWDZBQOSA-N	360.502	2.148	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@H](O)CN1C(=O)OC(C)(C)C	2264614726	UQIHSYHZDITBET-LSDHHAIUSA-N	364.442	2.111	10	10	FECE	
COC(=O)c1ccc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1	2294095281	NHWQOIFNVFDBCA-UHFFFAOYSA-N	364.357	2.448	10	10	FECE	
CC(C)CN1C(=O)C(=CN[C@@H](C)c2ccc(F)c(F)c2)C(=O)NC1=S	2295113188	HSTIHVDKEGNIQQ-JTQLQIEISA-N	367.421	2.399	10	10	FECE	
CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCCCN=[N+]=[N-]	2320306183	WUJHMBZDOMOTNO-CYBMUJFWSA-N	354.455	2.134	10	10	FECE	
COc1cccc(CN[C@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1O	2330888322	UXIUQHKBYXYYOM-IJEWVQPXSA-N	364.442	2.125	10	10	FECE	
Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1cc(S(N)(=O)=O)ccc1O	111412502	GCFVPDSCNABJRU-VHEBQXMUSA-N	373.394	2.242	10	10	FECE	
COc1ccc(CN[C@H]2CC(=O)N(CCOc3ccccc3)C2)c(O)c1	174468571	GPUNBTQTYQDZHJ-INIZCTEOSA-N	356.422	2.170	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NCc1cccc(F)c1O	381106592	SHNGGLDTGXQQOT-DCDXPUDHSA-N	352.406	2.302	10	10	FECE	
CC[C@@H](c1cc(Br)ccc1O)N1CC(N2CCNCC2)C1	90308369	QOCJTLHKSDJPJQ-HNNXBMFYSA-N	354.292	2.195	10	10	FECE	
Cc1ccc(/C=C2\SC(N3CCN(Cc4cnn(C)c4)CC3)=NC2=O)o1	606629855	KMDVHSBZUDVCKL-SXGWCWSVSA-N	371.466	2.110	10	10	FECE	
Cn1nc(C(=O)NCc2cc(N)ccc2O)c(Br)c1Cl	2167048148	OXLNYWRPEYHAES-UHFFFAOYSA-N	359.611	2.054	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)c1cccc(-n2cnnn2)c1	804736065	MWHPTPISMLETCY-UHFFFAOYSA-N	374.198	2.060	10	10	FECE	
CCN(C(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCCOC1	823519814	OFPGTSNOZDHPRF-SFHVURJKSA-N	361.486	2.358	10	10	FECE	
COc1ccc2ncc(C(=O)NCc3ccc4c(c3)CCCN4C)n2n1	824682492	GHVNBFSVXZMPDM-UHFFFAOYSA-N	351.410	2.050	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc2c1CCN(C)C2=O	825309342	MGMNUQONWJUIFN-LBPRGKRZSA-N	369.421	2.479	10	10	FECE	
O=C(NCCCSc1nccs1)N1CC[C@@H](CN2CCOC2=O)C1	838516370	OOLVXIRWEGBFDX-GFCCVEGCSA-N	370.500	2.109	10	10	FECE	
C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3COC(=O)N3)cc2Cl)C1	831804925	PTPBKINGANRNDV-RISCZKNCSA-N	351.834	2.301	10	10	FECE	
CN(C)C(=O)[C@H]1CCCN1CCCNC/C=C/c1ccc(N(C)C)cc1	835038701	YDGWUBYUQBTRDA-MUPIXQSSSA-N	358.530	2.298	10	10	FECE	
CN1CCCc2cc(CNC(=O)NCC3(C4(O)CCOCC4)CC3)ccc21	915390393	LHDONEWUJHHARI-UHFFFAOYSA-N	373.497	2.190	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3cn(C4CCC4)nn3)C2)cc1	843608043	KGRKSICCJCJOEF-CQSZACIVSA-N	355.442	2.268	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc2c(n1)OCCO2	847357362	YPPFXCXQPOLVEI-UHFFFAOYSA-N	371.462	2.336	10	10	FECE	
COc1ccc(N2CCN(CCNc3nn4cc(C)nc4s3)CC2)cc1	742927965	COXYUJVQKIOHOK-UHFFFAOYSA-N	372.498	2.342	10	10	FECE	
CC[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@H]1CCCCO1	848936629	HMQBTJPFWDIVAK-JCGIZDLHSA-N	361.486	2.394	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)cc1	858605021	OCPPPQAJLIQNRJ-INIZCTEOSA-N	357.458	2.091	10	10	FECE	
C[C@H](CC(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCCO1	850079445	NIGPBJQHSJUROS-CRAIPNDOSA-N	362.470	2.459	10	10	FECE	
CO[C@H](CS(=O)(=O)NCCc1ccc(N)cc1)c1ccc(F)cc1	858611142	VZEIUDMUWCPGPY-QGZVFWFLSA-N	352.431	2.258	10	10	FECE	
COc1ccc(N2CC[C@H](N[C@@H](c3cccnc3)c3nc[nH]n3)C2)cc1	850485741	BHOGJYIIALOBHT-YJBOKZPZSA-N	350.426	2.166	10	10	FECE	
C[C@H](NS(=O)(=O)[C@H]1COC(C)(C)C1)c1ccc(N2CCOCC2)cc1	858917908	GIEZTEMGAXGVAT-WMLDXEAASA-N	368.499	2.071	10	10	FECE	
O=C(NC1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1)C1CCCCC1	768441280	YDDWLTXLCDIMSV-IBGZPJMESA-N	374.481	2.479	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cn1c2ccccc2c(=O)n1C	931246145	GYMIKZOIPLBEJI-UHFFFAOYSA-N	352.438	2.065	10	10	FECE	
CCN1CCN(c2ccc(CN3C(=O)CN(C4CCC4)C3=O)cc2F)CC1	761285329	XTCAKZFGYWOZFH-UHFFFAOYSA-N	374.460	2.284	10	10	FECE	
C[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@@H]1COc2ccccc21	785422608	OWLJATZVKDYNDP-KDOFPFPSSA-N	367.449	2.050	10	10	FECE	
CC1(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C[C@@H]2C[C@H]2C1	894593365	SDGKBBKGKGZROZ-IRXDYDNUSA-N	355.482	2.441	10	10	FECE	
Cn1cc([C@H]2[C@@H](C(=O)NCc3ccccc3O)CC(=O)N2C(C)(C)C)cn1	795062126	RGQGHHYEHXLWJL-YJBOKZPZSA-N	370.453	2.130	10	10	FECE	
COc1cc(NS(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)ccc1O	797819473	KKIYBCUFSKVCOC-SECBINFHSA-N	370.452	2.460	10	10	FECE	
Cc1cccc(-c2nnc(S)n2CC(=O)NCc2cc(O)ccc2O)c1	1153879376	MIXARSHBVRCYPK-UHFFFAOYSA-N	370.434	2.270	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@@]2(CCOC2)Oc2ccccc21	1181749016	XTGKTSLMNGIKFR-FOIQADDNSA-N	355.390	2.439	10	10	FECE	
C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCc3ccc(N4CCC(O)CC4)cc3)CN2C1	1352444376	VQMWIEVSIGGQJV-KPFFTGBYSA-N	371.525	2.384	10	10	FECE	
CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(N=NC(N)=O)cc1)CC2	1444552057	IMLMOTUUKZAPCA-CABCVRRESA-N	360.414	2.241	10	10	FECE	
C[C@H](NC(=O)N[C@@H]1CC[C@H]2CN(C)C[C@H]21)c1ccc(N2CCOCC2)cc1	1520714497	FSGLGMMHIVWNCV-SMMRIJLZSA-N	372.513	2.224	10	10	FECE	
COC(=O)c1cnc(SCC(=O)c2cccc(S(C)(=O)=O)c2)s1	1473035205	KDFKLSSOCRNKGN-UHFFFAOYSA-N	371.461	2.308	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ncc2ccccn12	1638528962	CGVQWRMBADPZDQ-UHFFFAOYSA-N	353.378	2.245	10	10	FECE	
Cc1ccc2c(C)cc(NNC=C3C(=O)N(C)C(=O)N(C)C3=O)nc2c1C	29004136	GTRCJTXYMUTNHK-UHFFFAOYSA-N	367.409	2.011	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1cncc2nc(C(F)(F)F)[nH]c12	1593881200	HDMMCKXVVCLKSC-UHFFFAOYSA-N	352.272	2.318	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)CC1	2126933851	QOVIWBADTHBMMN-CYBMUJFWSA-N	367.450	2.440	10	10	FECE	
Cc1cc(N=Nc2ccccc2)c(NC[C@H](O)[C@@H](O)[C@H](O)CO)cc1C	253982910	NARUXRZZSJCXFJ-IPMKNSEASA-N	359.426	2.206	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@@H](O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)ccc21	2136022221	UUANINMSQMWEPT-JQHSSLGASA-N	361.486	2.297	10	10	FECE	
CCS(=O)(=O)N1CCC(Nc2c(N)cccc2Br)CC1	2160477428	YMHHLTVFUSTDFW-UHFFFAOYSA-N	362.293	2.257	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1CN=[N+]=[N-])[C@@H]1CCOC1	2060621511	OLFSFOJNOKCKKD-AGIUHOORSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1nccs1)C(=O)N1CC[C@@H](N=[N+]=[N-])C1	2060635788	PHJFOPJUZPVACY-MNOVXSKESA-N	366.447	2.490	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]1(C)CCN(CC(=O)Nc2ccc(N)cc2)C1	2106751091	PMSNEBBFUVUSBQ-LJQANCHMSA-N	362.474	2.444	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1	2288268276	ZXWIWGNLPCUSJR-JZKQVHKSSA-N	374.485	2.442	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)NCc3ccccc3O)O2)C1	1179137843	CQIKPHWYOIOHRV-HNNXBMFYSA-N	362.426	2.177	10	10	FECE	
CC[C@H](CO)N1C(=O)C(=Cc2ccc3c(c2)OCCO3)SC1=S	2323807809	CNYSDOJZNZVCAD-LLVKDONJSA-N	351.449	2.430	10	10	FECE	
CO[C@H]1[C@H]([C@@H](N)c2ccccc2O)N(C(=O)OC(C)(C)C)C[C@H]1OC	2311981070	BYFJWRDQVDSBSJ-FXUDXRNXSA-N	352.431	2.041	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@H]1CO[C@]2(CNC(=O)OC(C)(C)C)C[C@H]1C2	2342996191	PXXPYVMPOZPHRK-GDZNZVCISA-N	367.450	2.465	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2nnc(S(C)(=O)=O)[nH]2)c1C	101664404	AMMQXXXVBATKCS-UHFFFAOYSA-N	373.438	2.176	10	10	FECE	
Cc1ccc(-n2c(C)cc(C(=O)CN3C[C@H](O)C[C@@H]3CO)c2C)cc1F	184731299	MLDARVPJPBODJE-IAGOWNOFSA-N	360.429	2.152	10	10	FECE	
O=C1N[C@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CS1	266939348	UWAHNVALRZCADB-GWCFXTLKSA-N	371.409	2.198	10	10	FECE	
COc1ccc(N2CCC(N[C@H](CO)C[C@@H](O)C(C)(C)C)CC2)cc1	375267160	OTAXGMBFQOHAMQ-QFBILLFUSA-N	350.503	2.412	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCOC[C@@H]1CC(F)F	286517728	QOMMSBWZUAFJRP-INIZCTEOSA-N	355.429	2.067	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c2ncnn21	820004928	KTPHBGSYBNXFHL-VNQPRFMTSA-N	371.441	2.380	10	10	FECE	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1[C@H]2COC[C@H]21	830544623	SAABHVDTGMFKHZ-AIANPOQGSA-N	350.846	2.019	10	10	FECE	
O=S1(=O)CC[C@]2(CN(Cc3cc(-c4ccccc4)ccc3O)CCO2)C1	843426544	ZEIJAXYAKCNRCH-FQEVSTJZSA-N	373.474	2.449	10	10	FECE	
CC(C)N(C[C@H]1CCC(=O)N1)C(=O)NCc1ccc(N2CC=CC2)cc1	840303466	BWUMGCIKWVMONN-QGZVFWFLSA-N	356.470	2.261	10	10	FECE	
COCCN(C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)[C@H]1CCOC1	840484817	PZCNHXRJAMVJKX-APWZRJJASA-N	363.502	2.439	10	10	FECE	
COc1cc(Br)cc([C@H](C)NC[C@H](C)S(C)(=O)=O)c1O	848535213	BMCDMGPMYQQERV-IUCAKERBSA-N	366.277	2.247	10	10	FECE	
CO[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[C@@H]1CCOC1	857577811	DRNNQSOBFRKSBJ-ODXCJYRJSA-N	365.385	2.452	10	10	FECE	
COc1ccc(N2CC[C@@H](N3C(=O)[C@@H](c4cccnc4)N(C)C3=O)C2)cc1	924977541	IIQAPZIWZPDDAA-SJLPKXTDSA-N	366.421	2.304	10	10	FECE	
CCN1CC[C@@H](N(CC)C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	854295878	DGTHEYZUCRFFBI-SJLPKXTDSA-N	360.502	2.400	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](C)Cn3cccn3)C2)cc1	851992672	MOGOHQRXYMZABA-JKSUJKDBSA-N	357.458	2.106	10	10	FECE	
C[C@](O)(C[C@H](O)CNCc1ccc(N2CCSCC2)cc1)C1CC1	872201357	XXGZQRFTSZKRTG-OALUTQOASA-N	350.528	2.241	10	10	FECE	
Cn1c(=O)sc2cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)ccc21	773140200	PUWOBTOZIUMLOA-LCYFTJDESA-N	351.387	2.061	10	10	FECE	
COCCN(Cc1cc(Br)cc(OC)c1O)[C@H]1CCOC1	787336144	ZJWYCVSYGBIXFI-ZDUSSCGKSA-N	360.248	2.401	10	10	FECE	
CNC(=O)[C@@]1(C)CCN(Cc2c(O)c(C(=O)OC)cc3ccccc23)C1	797416912	OWCKTZTWBCDOQF-FQEVSTJZSA-N	356.422	2.290	10	10	FECE	
CN(C(=O)/C=C/c1ccc(O)c(O)c1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12	1179687278	RVGCYSVGLLSRND-RTIZMKJZSA-N	374.437	2.435	10	10	FECE	
COc1cc(C(=O)NCc2c(O)cccc2F)cc(NC(C)=O)c1OC	1303879373	ZZNFYYJQBHUAEG-UHFFFAOYSA-N	362.357	2.437	10	10	FECE	
Cc1nnc(N(C)CC2CC2)n1Cc1ccc(N2CCOCC2)c(F)c1	1304799207	YKUFNMSUTWOWDO-UHFFFAOYSA-N	359.449	2.457	10	10	FECE	
CN1CCN([C@@H](C(=O)NCc2c(O)cccc2F)c2ccccc2)CC1	1178412651	CQEAAENJIAHDHL-LJQANCHMSA-N	357.429	2.136	10	10	FECE	
COc1ccc(N2CCCN(C(=O)C(=O)NC3CC(C)(C)C3)CC2)cc1	1328320877	GSVDWXLJLFACIU-UHFFFAOYSA-N	359.470	2.039	10	10	FECE	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCC[C@@H](F)C1	1328356086	DOPUNMZUNCBVJR-JKSUJKDBSA-N	368.474	2.066	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NCc1cc(F)cc(F)c1O	708536000	SKDLIKSVDRTGCW-AEIGPULVSA-N	370.396	2.441	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H]1CCCC2(CCC2)O1	1262256902	XJVFRLGCLRHRPM-SFHVURJKSA-N	373.497	2.285	10	10	FECE	
CN1CCN(Cc2ccc(C(=O)N(C)Cc3ccccc3O)s2)CC1	1445643414	DPAMEKPLGHHBJE-UHFFFAOYSA-N	359.495	2.473	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CCO[C@H](C)C1	1466398023	GQUUONNAZGWPBN-NEPJUHHUSA-N	355.818	2.362	10	10	FECE	
CC(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccc(O)c1O	1468418107	ULGDNHLYNLYCJV-HNNXBMFYSA-N	359.378	2.096	10	10	FECE	
O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1	1544845189	KTBLQPHNTYUAKS-OAHLLOKOSA-N	373.384	2.202	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H](c1ccccc1)c1nc[nH]n1	1556594728	GHTGUPPKXZCCID-VIHMKRCTSA-N	350.378	2.177	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)CCCn3c(O)nnc3O)cc2)CC1	1565663560	HKLLYKKFNRAPLO-UHFFFAOYSA-N	373.457	2.022	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)N3CC(=O)N[C@H](C)C3)c2C)c1	1565193458	YYDCRHZNURSTJV-CQSZACIVSA-N	354.454	2.432	10	10	FECE	
Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)c(C)n1-c1cnccn1	1566369961	GDEDEQOQOXMUFW-UHFFFAOYSA-N	352.394	2.268	10	10	FECE	
COC(=O)[C@H](CC(=O)N1CCC[C@H](N=[N+]=[N-])CC1)NC(=O)OC(C)(C)C	2124533755	FRNAAFCWWYVCPA-RYUDHWBXSA-N	369.422	2.134	10	10	FECE	
Cn1cc(C(=O)N2CCC[C@H]2CN=[N+]=[N-])c(CNC(=O)OC(C)(C)C)n1	2124541044	OEWAXVSLPQOOQN-NSHDSACASA-N	363.422	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](CO)(C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)C1	2124544047	ZIZRRPSFJVZFND-SUMWQHHRSA-N	367.450	2.155	10	10	FECE	
O=C(NCc1nc(COc2ccccc2)n[nH]1)N1Cc2cccc(O)c2C1	1671865751	OKVGUSDLIXLYTC-UHFFFAOYSA-N	365.393	2.315	10	10	FECE	
Cc1cc(C(=O)N[C@H]2CCC(=O)NC2=O)c(C)n1-c1ccc(Cl)cc1	153324311	NDOFIIICKXNKLD-HNNXBMFYSA-N	359.813	2.283	10	10	FECE	
CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccn(-c2ccc(N)cc2)n1	2162525762	HSGZXDWYBONYBV-CQSZACIVSA-N	373.457	2.488	10	10	FECE	
CON(C(=O)c1ccc(O)c(O)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	2055885199	IQVCXTXAPBBVQA-GFCCVEGCSA-N	352.387	2.111	10	10	FECE	
CCCN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)NCCCN=[N+]=[N-]	2060611826	YXDWOTWBGWFQPE-STQMWFEESA-N	355.439	2.465	10	10	FECE	
CN1CCc2cc([C@H](N)[C@]3(O)CCC[C@H]3NC(=O)OC(C)(C)C)ccc21	2106849551	XKTDVUGQHSDNSL-UWVAXJGDSA-N	361.486	2.487	10	10	FECE	
CN(CC1(N(C)C)CCC1)C(=O)C=Cc1ccc(N2CCOCC2)cc1	2310665999	HBPDIWMIVGDQIJ-UHFFFAOYSA-N	357.498	2.479	10	10	FECE	
CCN[C@H](c1ccccc1O)c1cc(I)nn1C	2314319586	NZKZHJBNODHKMU-CYBMUJFWSA-N	357.195	2.429	10	10	FECE	
C[C@@H]1[C@H](NC(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)[C@@H]1C	2332909837	CLYQPCPDAVFRCN-DZJQYVJYSA-N	364.442	2.304	10	10	FECE	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1C(=O)O	2932099	GJDNIYXFOYVXQK-GXDHUFHOSA-N	366.329	2.060	10	10	FECE	
CN1CCc2cc(Cn3ncc(I)c3N)ccc21	50286984	HZAYLEQVCKVFOO-UHFFFAOYSA-N	354.195	2.111	10	10	FECE	
COCCN1[C@@H](C)CN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@@H]1C	124204591	RCZAWZMUFLBJNM-IRXDYDNUSA-N	374.529	2.320	10	10	FECE	
O=[N+]([O-])c1ccc(O)c(CNCc2nc(COc3ccccc3)n[nH]2)c1	185754126	DBYDAEHJTXMYFT-UHFFFAOYSA-N	355.354	2.287	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)CN3C[C@@H](C(N)=O)O[C@H](C)C3)c2C)c1	122231077	VYVZZEGWIAMTAK-QRWLVFNGSA-N	369.465	2.160	10	10	FECE	
COc1cc(Br)c([C@@H](NCCN=[N+]=[N-])C(=O)O)cc1OC	90256160	IRDYAIVOZVEPKS-LLVKDONJSA-N	359.180	2.492	10	10	FECE	
COc1ccc(CN(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c(O)c1	92585823	AUARQOMRSIUOEG-GFCCVEGCSA-N	350.440	2.241	10	10	FECE	
COc1ccc(N2CCN(C(=O)CNCc3ccc(C)cc3)CC2)cc1	244253585	WIMONEJNMPXKBA-UHFFFAOYSA-N	353.466	2.442	10	10	FECE	
CCOC(=O)c1cnc2c(N=Nc3cccc(OC)c3)c(=O)[nH]n2c1N	252627775	SBEHXTUEGGFPJQ-UHFFFAOYSA-N	356.342	2.206	10	10	FECE	
Cc1cc(Br)c(O)c(CNC[C@H]2CCCCN2CCO)c1	824582622	BKUFYIRQVDWSDE-CQSZACIVSA-N	357.292	2.400	10	10	FECE	
COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)/C=C\c1cc(C)n(-c2ccccc2)c1C	588512413	RHBKBTYZHYAWSB-AMQGLKLZSA-N	368.433	2.242	10	10	FECE	
Cn1nc(C2CC2)nc1C(=O)NCc1cc(Br)ccc1O	836212375	QIUXSCYYTSFZQD-UHFFFAOYSA-N	351.204	2.091	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCn2cnc(C(F)(F)F)c2C1	915476719	FKLUBDRTHQURTP-DUXPYHPUSA-N	353.300	2.369	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)c3cnn(C(C)C)c3)C2)cc1	849416375	QFRYIVZDMUPWKF-AWEZNQCLSA-N	364.471	2.030	10	10	FECE	
CC(C)n1ncc2cc(/C=C\C(=O)NCCc3ccc(N)cc3)c(=O)[nH]c21	843342524	MXJXPYAPRSGWOP-YVMONPNESA-N	365.437	2.260	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C1CCOCC1)C1CC1	846741974	AWEFQMANPZGAJM-IBGZPJMESA-N	373.497	2.032	10	10	FECE	
COc1ccc(CNC(=O)c2c(C)nn(C3CCOCC3)c2C)c(O)c1	846949281	GRALLKCEUGRLLF-UHFFFAOYSA-N	359.426	2.496	10	10	FECE	
CN(C)c1ccc(CNC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)cc1	853244371	JXBSJBMUKGTPCP-KRWDZBQOSA-N	352.438	2.140	10	10	FECE	
OCC1CCN(c2ccc(CN[C@@H]3CCOC34CCOCC4)cc2)CC1	924759828	NDNNRYIJKZQNBS-HXUWFJFHSA-N	360.498	2.323	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCN2CCSC[C@@H]12	925143010	PGTRJIFZWFOFEI-MSOLQXFVSA-N	362.543	2.474	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](C4CC4)O[C@H](C)C3)C2)cc1	852452554	ZWWXMEHEXAXBJC-SIXWZSSISA-N	359.470	2.483	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)[C@H](O)Cc3cnn(C)c3)c2C)c1	863161708	IFBTZSFWYRVPGO-HXUWFJFHSA-N	366.465	2.356	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc([N+](=O)[O-])cn1	761855452	NTRARIDGRAIIJN-UHFFFAOYSA-N	356.382	2.099	10	10	FECE	
O=C(/C=C/C=C/C(=O)NCc1ccccc1O)NCc1ccccc1O	774062477	DRWKKODUBSXKQA-YDWXAUTNSA-N	352.390	2.143	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc(C)cc(O)n3)CC2)c(OC)c1	870165488	DRVCDYGIFMOGJG-UHFFFAOYSA-N	357.410	2.075	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CCC(=O)c4cccn43)CC2)cc1	788719469	FGFWCVSWRANELS-SFHVURJKSA-N	353.422	2.363	10	10	FECE	
Oc1c(Br)cc(Br)cc1CN1C[C@@H]2C[C@]2(O)C1	895651940	DSWLAINMHGPUDK-UFBFGSQYSA-N	363.049	2.484	10	10	FECE	
COC(=O)[C@H]1[C@H](CNCc2ccc(N3CCSCC3)cc2)C1(F)F	894191964	SYKIMPYQHOJNCO-LSDHHAIUSA-N	356.438	2.384	10	10	FECE	
CCOC(=O)c1cc(NC(=O)c2cc(O)cs2)cc(S(C)(=O)=O)c1	1148930156	ZXBCOEZNHOXOPW-UHFFFAOYSA-N	369.420	2.286	10	10	FECE	
C/C=C\C[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)O	797714855	MFVQEAXEVXDGSO-GPAZVNKHSA-N	361.442	2.303	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3cccc(O)c3O)[C@H]2C1	1962830728	LTVYRKPVUABOKN-FPMFFAJLSA-N	362.426	2.473	10	10	FECE	
O=C(c1ccnc2[nH]c(O)nc12)N(Cc1ccccc1O)C[C@H]1CCCO1	1295405836	MPNWSAFOXBRRKR-CYBMUJFWSA-N	368.393	2.191	10	10	FECE	
O=C(NCc1ccc(O)cc1O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O	1299574962	UNQFGRPHYBOCMX-HNNXBMFYSA-N	360.797	2.421	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)Cc3ccnc(F)c3)cc2F)CC1	1293087971	NXGZWABLNFXIAB-UHFFFAOYSA-N	374.435	2.361	10	10	FECE	
COc1ccc(CNC(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)c(O)c1	1638242703	SOEVAHPZLRFCEU-ZDUSSCGKSA-N	365.430	2.209	10	10	FECE	
COC(=O)[C@@H]1c2ccccc2OCCN1C(=O)/C=C\c1ccc(O)c(O)c1	1648217052	HSFHUHXVUYULKW-FUKPKEADSA-N	369.373	2.246	10	10	FECE	
COC(=O)NC1CN(C(=O)Cn2c3c(c4cc(OC)ccc42)CCCC3)C1	1641484262	FLVKEFXXQHUAGO-UHFFFAOYSA-N	371.437	2.096	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)OC[C@@H]2C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2124534637	IXMUZEPKDDXUHU-CRWXNKLISA-N	365.434	2.170	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)C1	2124511904	ILZRWFQUBFOGJP-UONOGXRCSA-N	367.450	2.419	10	10	FECE	
COC(=O)[C@H](C)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S	6097253	YSYHKKAEZRSNSB-UGZWPXFQSA-N	351.405	2.178	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(C(=O)NCc3ccccc3O)(CO1)C2	1964888136	CWFKIEHRKALMAI-UHFFFAOYSA-N	362.426	2.082	10	10	FECE	
CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccccn2)SC1=S	6248173	ZOTRGBRZFLKMPB-NGPGYTDTSA-N	354.478	2.489	10	10	FECE	
CCOc1ccc(/C=C2/SC(=S)N([C@H](C(=O)O)[C@H](C)O)C2=O)cc1	1858592249	KNLLQGNCXQHKRS-FFVMJPMASA-N	367.448	2.121	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CNC1CN([C@H]2CCOC2)C1	2169351039	BDDSDWQJNNZQDW-LBPRGKRZSA-N	361.667	2.371	10	10	FECE	
CCc1cccc(CN=c2nc(C3CN(C(=O)OC(C)(C)C)C3)[nH][nH]2)c1O	2184132308	RXINURBNCZZVNI-UHFFFAOYSA-N	373.457	2.441	10	10	FECE	
CC(C)(C)OC(=O)NCCCCCNS(=O)(=O)Cc1ccc(N)cc1	2044245737	MITZROIJJXRJDH-UHFFFAOYSA-N	371.503	2.383	10	10	FECE	
COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2060613964	XDATUDYYLRPABG-STQMWFEESA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOCC[C@@H]1C(=O)N1CC[C@H](N=[N+]=[N-])C1	2060636833	CASGADLZDSKRAS-RWMBFGLXSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COCC[C@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060633952	UAOGTBMIGPUHGE-XQQFMLRXSA-N	353.423	2.218	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060634180	WOOCIJDLODDCFY-RWMBFGLXSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]12CC[C@@](CNCc3ccc(O)cc3O)(C1)OC2	2104913319	WORQOPRZKWQCCF-OALUTQOASA-N	364.442	2.404	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(O)[C@H](N)c1ccc2c(c1)CCN2C	2106857463	LEIGWNGGYVAFBT-DUXSXAKTSA-N	361.486	2.297	10	10	FECE	
CN(C(=O)CN1CC[C@H](N(C)Cc2ccccc2)C1)c1ccc(N)cc1	2095870421	OFXRKPZOSNPMNY-FQEVSTJZSA-N	352.482	2.438	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@@]2(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)C1	2278886762	HWAMXHSXHFPNMF-GDZNZVCISA-N	365.434	2.314	10	10	FECE	
Cc1cccc(NC(=O)CN2C(=O)NC(=Cc3cc(C)n(C)c3C)C2=O)c1	2294046407	KSXHWZVJXIECAR-UHFFFAOYSA-N	366.421	2.482	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CC[C@H](N2CCCC2)C1	108794996	ILTWSWXWRUWDGB-FKIZTMCRSA-N	355.482	2.233	10	10	FECE	
COc1cc(C)ccc1OCC(=O)NC1=NN(c2ccccc2)C(=O)C1	21024851	NPNUBQIBIUZUCZ-UHFFFAOYSA-N	353.378	2.249	10	10	FECE	
COc1cc(N2CCN(C(=O)NC[C@H]3C[C@@H]3C)CC2)cc(OC)c1OC	273920614	IPHRFTVMSCZZRL-UONOGXRCSA-N	363.458	2.200	10	10	FECE	
COc1nnc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)s1	282953310	XYGZNRHRUFCZFJ-GFCCVEGCSA-N	364.427	2.465	10	10	FECE	
O=C(OCc1ccccc1)N1C[C@@H]([N+](=O)[O-])[C@H](c2cccc(O)c2O)C1	382740630	ZGHPATGSQWQMIX-LSDHHAIUSA-N	358.350	2.479	10	10	FECE	
COCc1ccccc1CS(=O)(=O)Nc1ccc(O)cc1C(=O)O	806632029	CFLJRCIMUKUULS-UHFFFAOYSA-N	351.380	2.179	10	10	FECE	
C[C@H]1CCN(C(=O)c2cc(O)cs2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F	807802349	IGMGYQONZAQWOM-LAEOZQHASA-N	350.362	2.371	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N(C3CC3)[C@H]3CCNC3)C2)cc1	818655332	LIYZGPIHVKAJOX-QAPCUYQASA-N	358.486	2.057	10	10	FECE	
COCCOc1ccccc1NC[C@@H](O)COc1ccc2c(c1)OCO2	819423857	GAJKZOOWYZRIKS-CQSZACIVSA-N	361.394	2.292	10	10	FECE	
COc1ccc(N2CCN(CCCN[C@H]3CO[C@H](C4CC4)C3)CC2)cc1	825063440	DZESKPPZEXISKB-NQIIRXRSSA-N	359.514	2.364	10	10	FECE	
Nc1ccc(Cc2nn(CC(=O)N3CCCC3)c(=O)c3ccccc23)cc1	821187073	PCFYMPJTVQGCOL-UHFFFAOYSA-N	362.433	2.192	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](O)C(Cl)(Cl)Cl	907275918	XRRYHTGEHAUVBO-WRWORJQWSA-N	356.633	2.266	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](N)C(F)(F)F	830797422	KEVGWGVHLQKWPF-SNVBAGLBSA-N	355.154	2.393	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1	835025163	GIJXJASUJRMHRW-SIEMBAAWSA-N	357.498	2.337	10	10	FECE	
Cc1ncccc1C(=O)N1CCOc2ccc(N3CCOCC3)cc2C1	581789023	CSSKXKMIQMRTEQ-UHFFFAOYSA-N	353.422	2.261	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1	588408636	UQRMWUDWPUJVHZ-LJQZUSABSA-N	356.422	2.113	10	10	FECE	
COC[C@@]1(C(=O)OC)CCCN1C(=O)c1cc2cc(O)c(O)cc2s1	912311297	ODHVZYRHCNCMRS-QGZVFWFLSA-N	365.407	2.107	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H](CO)c1cncn1C	912612951	UVJHYMBQDQHHRT-QGZVFWFLSA-N	366.421	2.104	10	10	FECE	
COc1ccc(CNC(=O)CN2CC[C@@H](c3ccccc3)NC2=O)c(O)c1	846951152	WAGGNWIEQHOKPB-KRWDZBQOSA-N	369.421	2.174	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1	840305953	NOILYLUSBWKOGC-UAGQMJEPSA-N	360.502	2.335	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)NCC[C@]3(O)CCOC3)cc2)CC1	844966351	XDEDMLVMCJRLKN-FQEVSTJZSA-N	361.486	2.264	10	10	FECE	
C[C@@H](NC[C@H](O)c1ccnn1C)c1cc(Br)c(F)cc1O	927137966	YQIJMAIBBNTRIM-CLAHSXSESA-N	358.211	2.412	10	10	FECE	
C[C@H]1CC[C@@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CS1	848531165	ODRYUAMIZWILLN-GOEBONIOSA-N	354.541	2.295	10	10	FECE	
C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1	2132348038	CJDJBHLOCVZTRN-CJNGLKHVSA-N	356.422	2.444	10	10	FECE	
Cc1cc(CC(=O)OCCCN2C(=O)CNC2=O)c(C)n1-c1ccccc1	853125681	WCTSQOFVSNAHKW-UHFFFAOYSA-N	369.421	2.122	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C[C@H](C)NC(=O)C3CCCC3)C2)cc1	855229369	JJDMRDPYKMCMGW-RDJZCZTQSA-N	373.497	2.475	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H](C)[C@@H]3CCO)C2)cc1	854297793	XBZMVCWCFVTRRS-GJYPPUQNSA-N	361.486	2.466	10	10	FECE	
COc1ccc(N2CCC(N[C@H]3CC[C@H](C)S(=O)(=O)C3)CC2)cc1	850369471	KPSUSIQKJGVGFR-HOCLYGCPSA-N	352.500	2.219	10	10	FECE	
COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)ccc1C	753522744	SVAWVVCKTGVZII-UHFFFAOYSA-N	366.351	2.196	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C3CCC(C(=O)N(C)C)CC3)C2)cc1	855222946	DPDIKZDLKRVMKB-OFLPRAFFSA-N	373.497	2.285	10	10	FECE	
C[C@H](NS(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1O	867836481	USTXILKTWHKGGU-LBPRGKRZSA-N	370.471	2.240	10	10	FECE	
C[C@@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccncc1	864954208	MRFFBJKJKYDCCX-QAPCUYQASA-N	366.465	2.203	10	10	FECE	
Cc1cc(C(=O)NC[C@H]2CN3CCCN2CC3)c(C)n1-c1ccc(F)cc1	773526982	BHWNYBSOFKNXTR-IBGZPJMESA-N	370.472	2.353	10	10	FECE	
CC(=O)N1CC(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1	788159639	CBRJYLXKFDMEKZ-UHFFFAOYSA-N	372.396	2.437	10	10	FECE	
N=C(O)OC[C@H](Cc1ccccc1)NC(=O)/C=C\c1ccc(O)c(O)c1	1142251943	OYCZUNRHVSXVQB-VIHMKRCTSA-N	356.378	2.348	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCO[C@H](c3ccnn3C)C2)c1	1312705451	KRCFYCYOPNNVGY-JCGVRSQUSA-N	374.441	2.415	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	1176748309	OCGIKTAJSIVVPP-UHFFFAOYSA-N	354.322	2.122	10	10	FECE	
C[C@H](O)c1ccc(N(C)[C@H](C)CS(C)(=O)=O)cc1Br	688603827	WHMVHRZDVZKCRH-ZJUUUORDSA-N	350.278	2.372	10	10	FECE	
Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)Cc1ccc(O)c(O)c1	1448510363	PCNCBIVTKVTGCC-SFHVURJKSA-N	370.405	2.197	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(F)c(F)c2O)[C@@H](CO)C1	2116275307	USROROCQVVSWQK-TZMCWYRMSA-N	372.412	2.378	10	10	FECE	
Cc1c(Br)cnc(O)c1C(=O)NCc1ccc(O)c(O)c1	1294873001	ZAEZURYYWQPJAU-UHFFFAOYSA-N	353.172	2.199	10	10	FECE	
CN(C(=O)Cc1ccc(O)c(O)c1)C1CCN(C(=O)c2ccccc2)CC1	1542776560	ZTZPDLDEYKXZGO-UHFFFAOYSA-N	368.433	2.404	10	10	FECE	
C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	1540440926	ZAQIWHQJPCWTDV-OLMNPRSZSA-N	371.481	2.275	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](CO)c2ncc[nH]2)c1	1636081518	MIXHVTOCFQMCHJ-QGZVFWFLSA-N	352.394	2.093	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCOC1	1747750703	XIMUIJPCJJCUOK-HOCLYGCPSA-N	358.442	2.161	10	10	FECE	
CCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2124517302	JOIWFIWJBQEOGP-STQMWFEESA-N	367.450	2.465	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2124507068	FFVJEHYKGUFSSU-CQSZACIVSA-N	366.466	2.086	10	10	FECE	
CCOC(=O)[C@@H](F)C1CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1	1772942569	ZKOAJFQHINYYKZ-WRLNGNIRSA-N	366.345	2.118	10	10	FECE	
O=C(NN1C(=O)/C(=C/c2cccnc2)SC1=S)c1ccccc1O	16929945	LGJGTDSESBTCTG-JYRVWZFOSA-N	357.416	2.333	10	10	FECE	
O=C1N[C@H](Cc2ccc(O)c(O)c2)C(=O)N1CCCOCc1ccccc1	2173028294	ZKDXXRLMNHJGOZ-MRXNPFEDSA-N	370.405	2.168	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CCCc3cccc(O)c32)=C[C@H]1O	2188053198	LNOHRVZVNAUIAU-GOEBONIOSA-N	374.437	2.256	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CCC[C@H]2C[C@H]21	2049782823	NLYKZBVUHTVMEA-BXIXQQKLSA-N	350.459	2.336	10	10	FECE	
C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)c1c(O)cccc1O	2052721873	PXZDOFQBIHHVNB-HUBLWGQQSA-N	352.431	2.119	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NCc2ccccc2O)O1	2060485802	SZVAIKQEZKFUBQ-UKRRQHHQSA-N	350.415	2.081	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(C)OC[C@H]1C(=O)N1CC[C@@H](N=[N+]=[N-])C1	2060612247	DMVYMEVRAYLVMV-NEPJUHHUSA-N	353.423	2.312	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060619235	KOLQMQUFFNFCJP-RWMBFGLXSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2060639374	HHZXOOUVGXHYMD-VXGBXAGGSA-N	355.439	2.200	10	10	FECE	
CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NCc1ccc(O)c(O)c1O	2084779336	MOZSBVFQDLZGJG-WCQYABFASA-N	370.471	2.244	10	10	FECE	
CO[C@H]1CCN(Cc2cc(N)ccc2O)[C@@H](CNC(=O)OC(C)(C)C)C1	2106680947	IXZDCYCVUNFIBG-CVEARBPZSA-N	365.474	2.479	10	10	FECE	
Nc1ccc(O)c(CN2CCC[C@@H]3CC[C@@]32CNC(=O)C(F)(F)F)c1	2106740694	WODREYJMBOCXDZ-MLGOLLRUSA-N	357.376	2.398	10	10	FECE	
Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])cn1	2225792578	OIEPOJDKLOWYLR-XQQFMLRXSA-N	363.422	2.334	10	10	FECE	
Cc1ccc(C=C2SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)o1	2296883486	VZFAYPHWWGJKCN-VIFPVBQESA-N	355.393	2.107	10	10	FECE	
CC(=O)N(C)c1cccc(NS(=O)(=O)c2cccc3nsnc23)c1	75082205	RPVTZUISEQJJAH-UHFFFAOYSA-N	362.436	2.475	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1	132561467	RMVVDMFJFPVSNK-ZWKOTPCHSA-N	373.453	2.380	10	10	FECE	
CC(C)COC(=O)[C@H](C)NC(=O)/C=C\c1ccc(N2CCOCC2)cc1	255196352	TUVDUMFIQYNORD-HWYHOQROSA-N	360.454	2.240	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)c3cn[nH]c3C(C)C)cc2)CC1	279138568	YAEOECKVBNSRGP-UHFFFAOYSA-N	369.469	2.132	10	10	FECE	
C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)CCOc1ccc(N)cc1	2162969486	QCAKSZVXPNDKII-WCQYABFASA-N	373.375	2.096	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(c2cc3c(cc2N)NC(=O)CC3)C1	2163129611	ZARGSNFPBPTRGX-KOLCDFICSA-N	370.375	2.047	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)c3sccc3F)cc2)CC1	816378955	DFNSEFWIFMBZEB-UHFFFAOYSA-N	361.442	2.486	10	10	FECE	
Nc1ccc(Cc2nc(C(=O)NCCCCN3CCOCC3)cs2)cc1	827126577	HDLRTXRMYSMNEB-UHFFFAOYSA-N	374.510	2.158	10	10	FECE	
N[C@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C(F)(F)F	828359590	ZDIJPWAQESXYJN-GFCCVEGCSA-N	367.318	2.263	10	10	FECE	
COCCCNC(=O)CN(C)C(=O)Cc1cc(C)n(-c2ccccc2)c1C	823981058	UEFLHGUCMWBSGU-UHFFFAOYSA-N	371.481	2.248	10	10	FECE	
CC1(C)CCCN[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	844173606	KRKGPCXQUCUDFM-SFHVURJKSA-N	363.477	2.181	10	10	FECE	
Cc1nn(CC2CC2)c(C)c1CC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	846663425	IRSHESKVMYYBGK-FQEVSTJZSA-N	369.513	2.335	10	10	FECE	
COc1cc(Br)cc([C@H](C)NCCN2CCC(O)CC2)c1O	848553538	UWDHVBOWHRGGFY-NSHDSACASA-N	373.291	2.271	10	10	FECE	
COC[C@H](CCNC(=O)NCc1cc(Br)ccc1O)OC	852446139	DPNYXRUIVIIECA-LBPRGKRZSA-N	361.236	2.005	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)C(F)(F)C1CCOCC1	856213319	HPPVYRAXTNAKTF-UHFFFAOYSA-N	368.424	2.326	10	10	FECE	
COC[C@@H](NC(=O)N[C@@H](C)c1cc(OC)ccc1O)C1CCOCC1	852468747	SXCRTHZJAQBBNI-BLLLJJGKSA-N	352.431	2.203	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccccc3)C2)cc1	852453263	JQORJRWDIAWWFF-QFBILLFUSA-N	355.438	2.307	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC[C@H]2CC2(Cl)Cl)c1	857378592	IJUOROYAEIFKJH-QMMMGPOBSA-N	367.254	2.077	10	10	FECE	
CNC(=O)CCOC1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1	752094536	MIVSMBWMSCYORO-UHFFFAOYSA-N	368.861	2.365	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(C(C)(C)C)C3)C2)cc1	852447432	AZPYVRYPZUSGCR-JKSUJKDBSA-N	360.502	2.446	10	10	FECE	
CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)/C=C/c1ccc(O)c(O)c1	856410190	HJGCSVZMNXFCSQ-IQIBNGDESA-N	360.454	2.213	10	10	FECE	
CC(C)[C@@H](OC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2)C(N)=O	769664801	JXCBUELGYPGHNK-HXUWFJFHSA-N	371.481	2.461	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)COCc3ccc(OC)nc3)C2)cc1	862158138	BXZDLEVGSWHYPY-MRXNPFEDSA-N	371.437	2.011	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3[C@H]3C[C@H]3C)cc2)CC1	867681480	XYNQNPPXPDCZIA-ZVEHZALQSA-N	355.482	2.263	10	10	FECE	
Cc1cc(C(=O)N2CC[C@](O)(C(N)=O)C2)c(C)n1-c1ccc(C(C)C)cc1	787975965	WBQPLJOYWWJAKC-OAQYLSRUSA-N	369.465	2.280	10	10	FECE	
CCN1C[C@H](CNCc2c(C(=O)OC)n(C)c3ccc(F)cc23)CC1=O	895148544	KKGHSWRUBMSBGM-LBPRGKRZSA-N	361.417	2.062	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3C[C@@H]4CCC[C@H](C3)C4O)C2)cc1	1327762112	RHOYZUBFCFBKDZ-ONXYJPLBSA-N	359.470	2.076	10	10	FECE	
COc1ccc([C@@H](C)N[C@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c(O)c1	1918712964	AVFRJEZVFFAELQ-CHWSQXEVSA-N	366.458	2.422	10	10	FECE	
O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cccc2nc[nH]c12	1631002772	HUSMODUPZHXEJY-UHFFFAOYSA-N	370.434	2.050	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCCNc3cccc(C)n3)C2)cc1	1565055671	IGNUDTDTVOPRGO-INIZCTEOSA-N	369.469	2.389	10	10	FECE	
O=C(CCNC(=O)Cc1ccccc1)NCc1ccc2cccnc2c1O	1570531382	DZGCQZHCFNDABM-UHFFFAOYSA-N	363.417	2.306	10	10	FECE	
COc1ccnc(OC)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1586060035	AEVPDIUZNQUEII-INIZCTEOSA-N	372.469	2.198	10	10	FECE	
O=C(Cc1nc(C2CC2)n[nH]1)N(Cc1ccccc1O)C[C@H]1CCCO1	1597089990	MINDSHKSTZAKEL-OAHLLOKOSA-N	356.426	2.138	10	10	FECE	
CC(C)(C)OC(=O)NCCN1CCC(C(=O)N2CC[C@H](N=[N+]=[N-])C2)CC1	2124539975	BFYONRPOWILPFI-AWEZNQCLSA-N	366.466	2.134	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2COCC[C@@]2(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)C1	2124518430	XTVRFHACTQAJEV-PBFPGSCMSA-N	365.434	2.171	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC1(CN=[N+]=[N-])CC1	2124504241	WTELMWTZUOXQFA-LBPRGKRZSA-N	363.422	2.052	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C1	2124538934	PANVMNPAEPDXBV-HZSPNIEDSA-N	367.450	2.296	10	10	FECE	
COCCCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1O	1769666690	XVTRCHPWTJIMOC-UHFFFAOYSA-N	370.457	2.447	10	10	FECE	
Cc1cc(CCNC(=O)N[C@@]2(C)CCNC2=O)c(C)n1-c1ccccc1	1684444366	MGUGOXRSJRHBCA-FQEVSTJZSA-N	354.454	2.214	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1	163610982	JHWDCADOEVUPBQ-CYBMUJFWSA-N	373.375	2.477	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CN[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O	1974155891	CMDBMGRIGLCREY-QJNOJXSDSA-N	362.651	2.028	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NCc1ccc(F)c(F)c1O	2031539565	MPZBDZWPHPVVBX-CHWSQXEVSA-N	358.385	2.442	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)c1ccn(-c2ccc(N)cc2)n1	2162514735	BYQGHVFYDONICQ-HNNXBMFYSA-N	371.441	2.194	10	10	FECE	
C[C@@H](NC[C@]1(NC(=O)OC(C)(C)C)CCOC1)c1c(O)cccc1O	688536394	LTUAYIIMFNWWTM-KZULUSFZSA-N	352.431	2.432	10	10	FECE	
COC[C@](C)(NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccccc1O	2072476237	KHVDFCHWISLHOK-XIKOKIGWSA-N	352.431	2.499	10	10	FECE	
CN(C(=O)C1=C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1F	2080946595	MOVJYXAGRLYIFV-UKRRQHHQSA-N	350.390	2.373	10	10	FECE	
COc1ccc(N2C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1	2111819985	RFARRRNEQGHFPY-RYUDHWBXSA-N	367.402	2.068	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2218743879	GYZKSCFJAQFJJQ-NEPJUHHUSA-N	353.423	2.360	10	10	FECE	
Cn1nc(CNC(=O)OC(C)(C)C)cc1C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-]	2225801476	VGQKALWGWXHGFQ-RYUDHWBXSA-N	363.422	2.406	10	10	FECE	
O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(C(=O)O)cc1	2293299509	IQSOOSHARLCYKH-UHFFFAOYSA-N	370.361	2.355	10	10	FECE	
CN(C)c1ccc(CNCCn2cc(CNC(=O)OC(C)(C)C)nn2)cc1	2287089573	LCQXIUAIJSFEAJ-UHFFFAOYSA-N	374.489	2.159	10	10	FECE	
Cc1ccc2nc(O)c(C=C3SC(=S)N(C(C)C)C3=O)c(=O)n2c1	2296717941	SVZICUTVGGTMPR-UHFFFAOYSA-N	361.448	2.318	10	10	FECE	
C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C=Cc1ccc(N2CCOCC2)cc1	2297636521	PAIFARKDSXDWPD-YLJYHZDGSA-N	357.498	2.335	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@]12COC[C@H]1CN(C(=O)OC(C)(C)C)C2	2315986423	CZNPDTYIPNABSJ-WBMJQRKESA-N	353.423	2.029	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Nc1c(N)cccc1C(N)=O	2329646906	YJBFBSQFXHGMQH-LWWSYDQCSA-N	360.458	2.471	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2331230366	KUEPENIRMSBLQU-MCIONIFRSA-N	367.450	2.438	10	10	FECE	
C[C@H](NC[C@]1(CCO)CCOC1)c1ccc(N2CCOCC2)c(F)c1	125812577	VJHJGECFOZVZPA-KXBFYZLASA-N	352.450	2.102	10	10	FECE	
CCc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(N3CCOCC3)c(F)c1)CC2	180631913	IUMPWDFSBVCSSA-ZBFHGGJFSA-N	373.476	2.482	10	10	FECE	
COc1ccc(N2CCCN(CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)CC2)cc1	249698905	DVBBAJNELMQTJR-OALUTQOASA-N	369.465	2.116	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(CCC(C)C)C3)CC2)cc1	243860839	RJCIWQUIHZVAIA-QGZVFWFLSA-N	373.497	2.238	10	10	FECE	
CO[C@H]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1	294884721	LEBACXQAXBJSTI-PMACEKPBSA-N	373.497	2.177	10	10	FECE	
O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1cccc2c1OCO2	800834668	OUDCGMYFJFMAGN-UHFFFAOYSA-N	362.407	2.053	10	10	FECE	
C[C@H](NC(=O)COc1ccc(N2CCCCC2)c(Cl)c1)C(=O)N(C)C	817381272	FTLVCEOEOHGTCD-ZDUSSCGKSA-N	367.877	2.302	10	10	FECE	
COc1ccc2c(=O)c(C(=O)NCc3cccc(OC)c3O)c[nH]c2c1	729859481	RMUUDPQOQJDTAI-UHFFFAOYSA-N	354.362	2.181	10	10	FECE	
Cc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)nn2c1OCCC2	822269969	WFKHHCSNVCAVGW-UHFFFAOYSA-N	370.453	2.083	10	10	FECE	
Cc1cc(C(=O)CN2CC[C@H]3CN(C)C[C@@H]32)c(C)n1-c1ccc(F)cn1	829998544	LQGZEGGZLRHHHO-YJBOKZPZSA-N	356.445	2.447	10	10	FECE	
COCCN(C)S(=O)(=O)NCCc1cc(C)n(-c2ccccc2)c1C	732215623	GDJKWJIBYITDOY-UHFFFAOYSA-N	365.499	2.049	10	10	FECE	
COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C/C=C/c1ccc(N(C)C)cc1	835045313	UTHDJOAUFDDOED-BHMLKFMNSA-N	360.454	2.192	10	10	FECE	
COc1ccc(N2CCCN(S(=O)(=O)[C@H]3CCO[C@@H](C)C3)CC2)cc1	830124721	MOKNUBNTEHXNGU-YJBOKZPZSA-N	368.499	2.105	10	10	FECE	
CC(C)(C)OCCNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	838030148	VWIDQBHJYUPAGN-UHFFFAOYSA-N	371.428	2.416	10	10	FECE	
Cc1nnccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	839522506	SMQLGIHZDMTLDZ-UHFFFAOYSA-N	355.442	2.227	10	10	FECE	
Cc1cc(O)c(CN2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1C(C)C	842631689	GGUGANNWHPKAGH-SFHVURJKSA-N	353.484	2.214	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cccc(O)c1[N+](=O)[O-]	856213163	DGNYILFUSNBGOE-UHFFFAOYSA-N	371.393	2.192	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2c(O)cccc2F)CC1(F)F	928709519	JAJSTEKTYDKAFA-HNNXBMFYSA-N	360.332	2.450	10	10	FECE	
CN(Cc1ccccc1)[C@@H](CNC(=O)c1cc(O)c(O)c(O)c1)C1CC1	2132351178	UYOJIQRVZYTALK-INIZCTEOSA-N	356.422	2.444	10	10	FECE	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1	850557052	KJXJXTAQIMLHFK-NIKGAXFTSA-N	374.481	2.473	10	10	FECE	
COc1ccc(NC(=O)C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1	850536346	JBSFFEZRGHGVEG-OAHLLOKOSA-N	369.421	2.037	10	10	FECE	
C[C@H](C[C@H]1CCC(=O)N1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	925675863	GOWPPEQMRDZHCX-YLJYHZDGSA-N	370.541	2.365	10	10	FECE	
CCc1nc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cn1CC1CC1	853027526	UUMCPYBCLZMOCP-UHFFFAOYSA-N	366.399	2.270	10	10	FECE	
CCc1nc2c(C(=O)NCc3ccc(N4CCOCC4)cc3)ccnc2[nH]1	930521264	YKVNKAVKZFLHTP-UHFFFAOYSA-N	365.437	2.287	10	10	FECE	
CC(C)N1C(=O)CN(Cc2ccc(N3CCOCC3)c(F)c2)CC1(C)C	769461250	SNAVBHDEWYQLQQ-UHFFFAOYSA-N	363.477	2.494	10	10	FECE	
COc1ccc(N2CCN(S(=O)(=O)c3ccc(C)o3)CC2)c(OC)c1	867731544	GFBDDGVAZNMKCF-UHFFFAOYSA-N	366.439	2.116	10	10	FECE	
C[C@H](CO)COC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	785414432	WUGWLNHPPTVEKR-SNVBAGLBSA-N	371.436	2.040	10	10	FECE	
Cc1cc(C(=O)NCc2nc([C@H]3CCOC3)n[nH]2)c(C)n1-c1ccccn1	898854543	NGNNIERZBJZARS-AWEZNQCLSA-N	366.425	2.041	10	10	FECE	
C[C@H](NC(=O)[C@H]1[C@H]2[C@@H]1OCCN2C(=O)OC(C)(C)C)c1ccccc1O	1877573973	QVBYQJPFBMNSOF-VCOSZWKGSA-N	362.426	2.204	10	10	FECE	
COCc1ncc2c(n1)CCN(C(=O)c1cc3cc(O)c(O)cc3s1)C2	899153267	HAFXURQQQGSCGG-UHFFFAOYSA-N	371.418	2.447	10	10	FECE	
Cc1cccc(O)c1CN1CC(n2cc(CNC(=O)OC(C)(C)C)nn2)C1	895702314	MYBSACAPUDVXNX-UHFFFAOYSA-N	373.457	2.374	10	10	FECE	
CSc1cc(O)ccc1NS(=O)(=O)c1ccccc1S(C)(=O)=O	792702869	GQHOWIABGUDDRU-UHFFFAOYSA-N	373.477	2.318	10	10	FECE	
CN(C)c1ncccc1/C=C1/OCCn2c1nc(Br)c2C=O	1334011077	SZIOLKPSQNZAGD-XYOKQWHBSA-N	363.215	2.447	10	10	FECE	
COc1ccc(O)c([C@H](C)NCC2(O)CN(C(=O)OC(C)(C)C)C2)c1	1918693208	GCOGYBOQSKPZCO-LBPRGKRZSA-N	352.431	2.033	10	10	FECE	
CCOC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	1269587979	MXKKEVVSGAPUCE-WFASDCNBSA-N	351.472	2.461	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@H]1CCCC[C@@H]1O	1295591200	XHJBSCZTEZRWCG-DOMZBBRYSA-N	369.845	2.488	10	10	FECE	
CCc1nnc(N2CC[C@@H](C(=O)OC)C2)n1Cc1ccc(N(C)C)cc1C	1292925362	VLQGBWGBAJOVOY-MRXNPFEDSA-N	371.485	2.263	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C\c1ccncn1	1546151729	FMTRIJPQIPBVFC-HYXAFXHYSA-N	361.785	2.051	10	10	FECE	
CN(C)Cc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)o1	1557639390	INEVRZBIVWUJJS-UHFFFAOYSA-N	357.454	2.232	10	10	FECE	
O=C(NCc1nc([C@H]2CCCO2)n[nH]1)c1cc2cc(O)c(O)cc2s1	1639237316	QBIPNFBBWAAPSF-LLVKDONJSA-N	360.395	2.212	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)Nc2ccccc2O[C@H]2CC(=O)N2)cc1	1638455324	AJPZWGVPXQYQQE-HNNXBMFYSA-N	353.338	2.326	10	10	FECE	
COC(=O)[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(OC)c1	1641488880	HKUOHYRJNDMGIK-KOEDOTQGSA-N	357.362	2.150	10	10	FECE	
CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CN=[N+]=[N-])CC1	2124502704	BYDMZPOXEZNFQQ-AWEZNQCLSA-N	368.482	2.380	10	10	FECE	
COc1ccc(N2CCN(C(=O)NC[C@H]3CC[C@H](C)O3)CC2)c(OC)c1	1673442111	FLRDMGJJMUGTSL-GOEBONIOSA-N	363.458	2.103	10	10	FECE	
C[C@H]1OCC[C@@]1(O)Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1O	1763277203	ZXKCYOUAHJPLEE-JLTOFOAXSA-N	372.469	2.113	10	10	FECE	
CCN(C)[C@H]1CCN(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)C1	1683504342	QZENXEVZUKRQQV-AEFFLSMTSA-N	360.502	2.257	10	10	FECE	
CC(C)(C)OC(=O)N1CCn2ncc(C(=O)NCc3ccccc3O)c21	1964891443	VXFALVSUZRIXPK-UHFFFAOYSA-N	358.398	2.274	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(-c2cnccn2)n1C[C@@H]1CCCO1	1696699945	NNUZPAZTXURQLM-HNNXBMFYSA-N	366.425	2.256	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]2C(=O)NC)cc1F	158319818	JORKIQQZIGJCAK-MRXNPFEDSA-N	350.438	2.092	10	10	FECE	
CC[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862036549	HWXXZIMPPPXTCP-QGZVFWFLSA-N	371.437	2.145	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1cccc(C)c1O	2139761440	YGBRZURGIZWCBQ-HUUCEWRRSA-N	364.442	2.199	10	10	FECE	
C[C@H]1C[C@@H](NCc2cc(Br)cc(F)c2O)CCS1(=O)=O	2143955307	GXCARAMQPSNFLZ-KWQFWETISA-N	366.252	2.349	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@](C)(CNCc2cccc(O)c2O)C1	2026838978	BQUPACAYYULIJJ-GOSISDBHSA-N	352.431	2.213	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@H](CNCc3ccc(O)cc3O)O2)C1	690603920	PXLXBSXCUWRODE-OAHLLOKOSA-N	364.442	2.356	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cccc(O)c1O)C(F)(F)F	848323738	FBFIQOGGPSJYCQ-JTQLQIEISA-N	364.320	2.283	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)CCCOC1	2060615652	QPIFWQYSCOFPKC-MLGOLLRUSA-N	353.423	2.219	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])CO1	2060608752	LNHVCUFTXFKUPU-XQQFMLRXSA-N	353.423	2.312	10	10	FECE	
COc1ccc([C@@H](C)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)c(O)c1	2060806794	JFBTWMXTXRCRHV-XIKOKIGWSA-N	354.447	2.327	10	10	FECE	
COc1cccc(O)c1CNCC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1	2208901115	XSRLYSFDBFRQIX-LJQANCHMSA-N	366.458	2.252	10	10	FECE	
CCN(CC)CCCNC=C1C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O	2296925563	NKCRUVHOHMXHCL-UHFFFAOYSA-N	372.469	2.092	10	10	FECE	
CCN1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(O)cc3)c2C)C1=O	2297365280	JLGOKLZATGWIJM-UHFFFAOYSA-N	353.378	2.281	10	10	FECE	
C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCc2cc(O)c(O)cc2C1	2302402082	RUYBTYZHZSYFGM-ZDUSSCGKSA-N	370.405	2.297	10	10	FECE	
Cc1cccc(CN=c2[nH]cnc(C)c2I)c1O	2317617577	AWVWJQRIMLFUJZ-UHFFFAOYSA-N	355.179	2.438	10	10	FECE	
CN(C(=O)COc1ccc(N)cc1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F	2343634309	OUPIHQBPQBZYGO-GJZGRUSLSA-N	367.421	2.063	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCN(Cc4cccs4)CC3)cc2N1	301612544	SIQPABDQJOXNJW-UHFFFAOYSA-N	374.422	2.309	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)N(C[C@@H]1CCCN1)C1CC1	186516896	YFFIWQIZKZGQSD-DNXKIMQPSA-N	355.482	2.279	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3csc(NC(C)=O)n3)CC2)cc1	48074981	GCUMQOAMBZFQGH-UHFFFAOYSA-N	360.439	2.073	10	10	FECE	
COC(=O)[C@@H](C)N1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC1=S	97475190	SEYRALOSZSLTAC-PKTIUJEHSA-N	368.392	2.063	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCC(CO[C@@H]3CCNC3)CC2)c1O	530238403	NIRPHOMPWWPUSM-QGZVFWFLSA-N	350.434	2.324	10	10	FECE	
COc1ccc(N2CCC(NS(=O)(=O)N3CCC[C@@H](C)C3)CC2)cc1	726600808	JBGAEZYLLBFZNL-OAHLLOKOSA-N	367.515	2.230	10	10	FECE	
Cc1cc(Br)cc(CNC[C@@H]2CCCCN2CCO)c1O	824583759	QBGHQFFKKSKPEK-HNNXBMFYSA-N	357.292	2.400	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN3CCC[C@@](C)(F)C3)CC2)cc1	830212388	OIGIPPNYIMYDSU-UYAOXDASSA-N	365.493	2.002	10	10	FECE	
O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCCN(c2ncccn2)C1	844892446	DQZAYYRIYVTXSK-AWEZNQCLSA-N	361.833	2.304	10	10	FECE	
CCOC(=O)[C@@H](CC1(OC)CCC1)NC(=O)c1ccc(C)c(O)c1O	846513612	ALLBVNGMLJTIGM-CYBMUJFWSA-N	351.399	2.027	10	10	FECE	
O=C1N[C@H](C2CCN(C(=O)NCCCSc3nccs3)CC2)CO1	921447421	IIEOZBMDBUDTIF-LBPRGKRZSA-N	370.500	2.155	10	10	FECE	
COC1CCN(c2ccc(Cn3nnc(-c4cscn4)n3)cc2)CC1	920354499	FUGNAFNPFAGXCB-UHFFFAOYSA-N	356.455	2.460	10	10	FECE	
CC[C@H](NC[C@]1(OCCO)CCOC1)c1cc(Br)ccc1O	850507418	JJFMNQLFWIOGHA-GOEBONIOSA-N	374.275	2.363	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCS(=O)(=O)[C@H](C)C2)c1	859484072	URMDIYRVECVANG-CQSZACIVSA-N	374.462	2.166	10	10	FECE	
CC(C)=CC[C@@H]1NC(=O)N(Cc2ccc(N3CCN(C)CC3)cc2)C1=O	925080286	UFUREYUPRVVJCO-SFHVURJKSA-N	356.470	2.215	10	10	FECE	
COC[C@H](C)S(=O)(=O)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C	853107421	SGEVQUPIEFXHMU-AWEZNQCLSA-N	364.467	2.118	10	10	FECE	
Cn1nccc1-c1ccnc(NCc2ccc(N3CCOCC3)c(F)c2)n1	865452321	HBECLXPKIRWVFA-UHFFFAOYSA-N	368.416	2.465	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCO[C@H]([C@H](C)O)C2)c1	862002904	FSXDXHHAIACKHK-KXBFYZLASA-N	356.422	2.128	10	10	FECE	
CC1=C(C(=O)NCc2ccc3cccnc3c2O)[C@@H](C)n2ncnc2N1C	862026231	JCWTWJKRHBXKMO-GFCCVEGCSA-N	364.409	2.133	10	10	FECE	
CN1Cc2ccccc2[C@@H]1CN1C(=O)CN(Cc2ccccc2O)C1=O	865331783	BQZFHEZEKYROPW-KRWDZBQOSA-N	351.406	2.343	10	10	FECE	
Cc1cc(C(=O)CN2C[C@H](CO)OC[C@H]2C)c(C)n1-c1ccc(F)cc1	766944070	GKFBNMDYKBXIAX-RDTXWAMCSA-N	360.429	2.498	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H]1CCC2(CCC2)CO1	1119541023	IDSHKIXVUGFPTE-SFHVURJKSA-N	373.497	2.143	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)NC1CCN(C(=O)CC(F)(F)F)CC1	779512368	WPYAROYJRJRDFP-DUXPYHPUSA-N	372.343	2.171	10	10	FECE	
Cc1cc(NC(=O)C(=O)N(C)Cc2ccccc2O)nn1[C@H](C)C1CC1	784672121	VWSFWROCEOXZJC-CYBMUJFWSA-N	356.426	2.465	10	10	FECE	
Cc1nc(I)c(N)c(=N[C@H](C)c2ccccc2O)[nH]1	1877579201	UUSGMTHNDANIDX-SSDOTTSWSA-N	370.194	2.272	10	10	FECE	
COC(=O)[C@@H](NCc1cc(Br)cc(F)c1O)c1ccnn1C	895083415	GBHTVTWGQHZWKP-LBPRGKRZSA-N	372.194	2.031	10	10	FECE	
CS(=O)(=O)[C@@H]1CCCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1	897582765	BKPFKNVRTUNFBD-LLVKDONJSA-N	369.464	2.352	10	10	FECE	
COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)NCc2ccc(OC)cc2O)C1	793062664	SRDXJCHNCPSLFK-GXTWGEPZSA-N	365.430	2.067	10	10	FECE	
C[C@@H](NC(=O)C(=O)NC[C@@H]1C(C)(C)C1(F)F)c1ccc(N(C)C)cc1	1328980023	IASBKDKJCLFJQS-BXUZGUMPSA-N	353.413	2.337	10	10	FECE	
C[C@H]1COCC[C@H]1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	1342766203	GIIZOTWZORCFJS-QFBILLFUSA-N	373.497	2.177	10	10	FECE	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	1470021455	YKFTZHXGISQLEN-FHLIZLRMSA-N	360.454	2.370	10	10	FECE	
Cc1occc(=O)c1OCC(=O)NCc1cccc(Br)c1O	1626822353	NNRXEDCPQPFVMW-UHFFFAOYSA-N	368.183	2.112	10	10	FECE	
Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc(N3CCOCC3)cc2)n1	1626692790	BVBANNJXRQYBJQ-UHFFFAOYSA-N	356.382	2.065	10	10	FECE	
Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)Cc3ccc(O)c(O)c3)n2)c1	1556415291	OWEAVJBLQVSAPN-LLVKDONJSA-N	353.382	2.006	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)[C@@H]2COCCN2CC(F)(F)F)cc1	1626085412	JLDZPZCCATTWBO-INIZCTEOSA-N	373.419	2.412	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCc2cccc(N3CCOCC3)n2)cc1	1634699021	FPLPRLDEWQOPRQ-UHFFFAOYSA-N	368.397	2.011	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2124516079	CORBXRFNPZWGHO-HZSPNIEDSA-N	367.450	2.417	10	10	FECE	
CC(C)NC(=O)c1ccccc1NS(=O)(=O)c1cccc2nonc12	161745329	PFUKIJOFJVIBBZ-UHFFFAOYSA-N	360.395	2.162	10	10	FECE	
COCCN1CCC(N[C@@H](C)c2ccc(N3CCC(O)CC3)cc2)CC1	154818115	UIOYGQJUTCIWGP-KRWDZBQOSA-N	361.530	2.409	10	10	FECE	
CCOc1cccc(CNCCC(=O)Nc2nnc(CC)s2)c1O	1857874632	NGOVAHMNHPBKCD-UHFFFAOYSA-N	350.444	2.323	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(O)c(O)c2)[C@H](CO)CC1	1921715774	KHYWXQNRWWKLPR-GJZGRUSLSA-N	366.458	2.195	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CCNCc2cc3c(cc2O)OCO3)C1	1971314517	XXLVPMIFDGQDRU-UHFFFAOYSA-N	350.415	2.468	10	10	FECE	
CN(CCOCCN(C)C(=O)c1cccc(O)c1O)C(=O)OC(C)(C)C	862895373	ODVWLZIJGMXVIZ-UHFFFAOYSA-N	368.430	2.053	10	10	FECE	
CCCN(CCS(C)(=O)=O)c1cc(Br)c(CN)cc1F	2170154001	VJDNVZSVDPKVEO-UHFFFAOYSA-N	367.284	2.308	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CC(n4cnnc4)C3)ccc(N)c2C1	2170188316	MUZIPQURSYFJII-UHFFFAOYSA-N	370.457	2.215	10	10	FECE	
C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1cc(Br)c(CN)cc1F	2170629989	HUAZBJBWVYFEGJ-DTWKUNHWSA-N	367.284	2.305	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNCc2ccc3c(c2)CCCO3)C1	1651712651	RUPAPDSOGREVLR-DLBZAZTESA-N	362.470	2.329	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CNC(=O)Cc1ccc(N)cc1)C(F)(F)F	2044228703	MOORIAJNSNFJDA-LBPRGKRZSA-N	361.364	2.383	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2060614558	DQWLBJCYMLIZTA-QWHCGFSZSA-N	355.439	2.201	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C	2060609848	ALEVTEKVLZGHNH-GFCCVEGCSA-N	351.411	2.004	10	10	FECE	
Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])cn1	2225792576	OIEPOJDKLOWYLR-AVGNSLFASA-N	363.422	2.334	10	10	FECE	
CCN(CC(=O)N1CCc2cc(O)c(O)cc2C1)C(=O)OC(C)(C)C	2318654657	LLBVSXUAJHWOSA-UHFFFAOYSA-N	350.415	2.240	10	10	FECE	
CN(Cc1nn(C)cc1I)c1ccc(CN)cc1	2319164612	IDKOHEABSCSQLR-UHFFFAOYSA-N	356.211	2.120	10	10	FECE	
Cc1cc(Cl)cc(CN2CCN(c3ncnc4c3cnn4C)CC2)c1O	179659134	CVRWMMZYPSQWTF-UHFFFAOYSA-N	372.860	2.353	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCC[S@](=O)C(C)(C)C)CC2)cc1	172076298	OQJPRQNZWFOYCL-VWLOTQADSA-N	367.515	2.074	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2nccs2)cc1F	67000850	FDWVQRUWIKXYBV-UHFFFAOYSA-N	350.419	2.383	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)c3cncc(Cl)c3)cc2)CC1	295220968	RARZHAGMFNSSJV-UHFFFAOYSA-N	372.856	2.334	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)Nc3cccnc3)CC2)cc1	299307598	FAGOALINVSTJBJ-UHFFFAOYSA-N	355.442	2.034	10	10	FECE	
COc1cc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c(C)c(OC)c1	800595481	GDVFZYBTAPMNDL-UHFFFAOYSA-N	371.437	2.333	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)NCC[C@]3(O)CCOC3)ccc21	652807646	RIXGPEIINQAXSF-FQEVSTJZSA-N	360.454	2.176	10	10	FECE	
NC(=O)c1cccc2c1CCN(Cc1ccc(N3CCOCC3)c(F)c1)C2	827839307	QTTFKNJQNKEJOI-UHFFFAOYSA-N	369.440	2.320	10	10	FECE	
CNC(=O)CCOC1CCN(Cc2ccc(Br)cc2O)CC1	824912871	CAUNVOQKNDWMDV-UHFFFAOYSA-N	371.275	2.272	10	10	FECE	
CN1CCCc2cc(CNC(=O)[C@@H]3CC(c4ccccn4)=NO3)ccc21	906454912	JSOJXVMCUVHRRO-IBGZPJMESA-N	350.422	2.273	10	10	FECE	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cn(C)c(O)n2)cc1	824782077	DRJCCNNMKAHNBN-MRXNPFEDSA-N	358.442	2.013	10	10	FECE	
CCCN(C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)c1ccc(CC)cc1	836848163	HCCVHRJGUSGLSW-XFXZXTDPSA-N	355.438	2.103	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](C)Cc3ccco3)cc2)CC1	832794056	HTCXKPXTVVDETF-MRXNPFEDSA-N	369.465	2.443	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H]([C@]2(C)COC(=O)N2)C1	919068700	ARNFVUPWSAXMNX-JXFKEZNVSA-N	374.485	2.481	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCNC[C@@H]2c2cccnc2)cc1F	841762405	XGLCMQBJIJDMKE-GOSISDBHSA-N	357.433	2.143	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CNc2ccccc2C1	846342874	BNJWFUMKBIZNHW-QGZVFWFLSA-N	367.449	2.284	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(CO)c(F)c3)C2)cc1	853588292	FVCOKJPHICAPGA-INIZCTEOSA-N	373.428	2.405	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cncc3c2CCCC3)c1	850366110	CIJWCZPGEZGGLW-GFCCVEGCSA-N	369.421	2.491	10	10	FECE	
Cc1cncn1CC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	860534532	GRSQUOYGZCKOOX-UHFFFAOYSA-N	367.497	2.040	10	10	FECE	
COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2Cc2ccc(N3CCOCC3)cc2)O1	930351322	OQODEWFVGSBEIQ-XCLNPWKQSA-N	374.481	2.207	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1F	1118669543	RUTFSGGQWGKMNW-UPJWGTAASA-N	369.387	2.058	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)NCC3(C)CCC3)CC2)cc1	1117198620	QCXRVVWBBAJPPO-UHFFFAOYSA-N	359.470	2.087	10	10	FECE	
COc1ccc(O)c(CNC(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)c1	772790455	DRQGSFJKMXYPTK-ZDUSSCGKSA-N	358.320	2.237	10	10	FECE	
Cc1cc(CCNC(=O)[C@H](O)Cc2cnn(C)c2)c(C)n1-c1ccccc1	786710353	ZTPVRBWLOCTZFA-HXUWFJFHSA-N	366.465	2.090	10	10	FECE	
C[C@H](Nc1c(O)nc(=O)n(Cc2ccccc2)c1N)c1ccccc1O	1877578592	NQVFFFLMTZWYMD-LBPRGKRZSA-N	352.394	2.458	10	10	FECE	
CN(C)C(=O)N(C)[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1	898977255	IGHVTCJOUAQZIL-NSHDSACASA-N	363.439	2.140	10	10	FECE	
O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C\c1ccc2c(c1)OCO2	1084641184	MXLSAXWYHAMZQM-GDNBJRDFSA-N	364.357	2.120	10	10	FECE	
NCc1ccc(N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c(Br)c1	708869447	OSUXAYQQQDBEMR-NEPJUHHUSA-N	359.289	2.064	10	10	FECE	
C[C@H](NC(=O)C(=O)N1CCC2(CCCCO2)CC1)c1ccc(N(C)C)cc1	1332140264	NEZIVSVAOOGXNM-INIZCTEOSA-N	373.497	2.492	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@H](CNCc3ccc(O)c(O)c3)O2)C1	690598627	CAFYXTFLQDBQQA-CQSZACIVSA-N	364.442	2.356	10	10	FECE	
CCNc1cc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)ccn1	1350860745	BLNBDMBRQQORJG-UHFFFAOYSA-N	369.469	2.349	10	10	FECE	
CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Cc1ccc(O)c(O)c1	1443291397	HMGNYVGBEBVUPT-UHFFFAOYSA-N	356.422	2.391	10	10	FECE	
Cc1cc(CCNC(=O)[C@@]2(C)C[C@H](O)CN2C)c(C)n1-c1ccccc1	1470849812	LZKVOQJNMDVLPT-PZJWPPBQSA-N	355.482	2.208	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)c3n[nH]cc3F)cc2F)C[C@@H](C)O1	1544676059	GGUVHRGCIDUCLI-PHIMTYICSA-N	350.369	2.232	10	10	FECE	
C[C@@H](NC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1)c1ccccc1O	1557966991	SSCLMSJCVPRCRL-UHNFBRDESA-N	358.419	2.274	10	10	FECE	
Cc1c(Br)cnn1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	1556157670	HLIGEYBFHPOTIB-SECBINFHSA-N	368.231	2.113	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N(CCn1ccnc1)C1CCSCC1	1636346183	FMMMSNTZTSGHBO-UHFFFAOYSA-N	361.467	2.261	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C(C)(C)C1	1636255547	VMGYXINBBAZYDS-OAHLLOKOSA-N	364.442	2.402	10	10	FECE	
COC[C@H](NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C)c1nn[nH]n1	1638139392	CIVXZXPMHJTLBO-HNNXBMFYSA-N	374.832	2.378	10	10	FECE	
O=C(NC[C@@H](O)COc1ccccc1)c1cc2cc(O)c(O)cc2s1	1630136100	LFBAMCVJGGNVBK-GFCCVEGCSA-N	359.403	2.482	10	10	FECE	
Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)c(O)c1O	1640920858	FRPVDYGRUVPXRK-CHWSQXEVSA-N	368.405	2.484	10	10	FECE	
COCCn1cc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cn1	1641972153	MOVWFFIRQVITNQ-UHFFFAOYSA-N	362.393	2.492	10	10	FECE	
Cn1c(C(=O)N2CCC[C@H]2CN=[N+]=[N-])cnc1CNC(=O)OC(C)(C)C	2124539486	WERJUSJUZYDMQT-NSHDSACASA-N	363.422	2.360	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(C(=O)N3CCC[C@@H](N=[N+]=[N-])C3)(CO1)C2	2124543419	REHSZBSUXFQGLP-AXOLYNHLSA-N	365.434	2.362	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C3(CCC3)C2)cc1	1597101603	PEYBJWDCZBLKKD-CYBMUJFWSA-N	364.427	2.079	10	10	FECE	
CC1(CNCc2ccc(Br)cc2O)CCS(=O)(=O)CC1	1967869116	IUKQWQMONGQRBP-UHFFFAOYSA-N	362.289	2.459	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1C=CCC1	2136254984	BVNMISKTSRYVTB-KBPBESRZSA-N	362.426	2.368	10	10	FECE	
O=C(N[C@]1(c2ccc(O)c(O)c2O)C[C@@H]1C(=O)O)OCc1ccccc1	1952828756	DSNBKTAYBWNKMM-XIKOKIGWSA-N	359.334	2.030	10	10	FECE	
C[C@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(c2cc3c(cc2N)OCCO3)C1	2163126929	LUUVGMAXEXFRAM-QWRGUYRKSA-N	373.375	2.323	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H](N=[N+]=[N-])C1)[C@@H]1CCCO1	2060638256	UWCHCSNTXBDUSE-AVGNSLFASA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2063391536	RBXIUNLOFIOUIR-BLLLJJGKSA-N	353.423	2.050	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@]1(C)C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2081170576	OLGPXAAOOPKUBS-MLGOLLRUSA-N	353.423	2.314	10	10	FECE	
C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(CC(=O)Nc2ccc(N)cc2)C1	2106760069	LKKSZWUDKIWLOW-BBRMVZONSA-N	362.474	2.442	10	10	FECE	
C[C@@H]1CN(CC(=O)Nc2ccc(N)cc2)CC[C@@H]1NC(=O)OC(C)(C)C	2106753823	LCBINEHJSJIDPW-CJNGLKHVSA-N	362.474	2.442	10	10	FECE	
CCOc1cccc(CN[C@H]2COC[C@H]2CNC(=O)OC(C)(C)C)c1O	2097862466	XCUPYCHIVRKDGB-CABCVRRESA-N	366.458	2.420	10	10	FECE	
C[C@H](NC[C@H]1CN(C)CCN1C(=O)OC(C)(C)C)c1c(O)cccc1O	2098264232	WDRWTNOVSOZFJS-KBPBESRZSA-N	365.474	2.300	10	10	FECE	
Cn1ncc(C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)c1I	2099330328	WBICXASGDNRASR-QMMMGPOBSA-N	374.186	2.330	10	10	FECE	
CCN(c1ccc(CO)cc1Br)[C@H](C)CS(C)(=O)=O	2114019213	APNNPGXJWWOYQR-SNVBAGLBSA-N	350.278	2.201	10	10	FECE	
CN(C)CCOC(=O)CCN1C(=O)C(=Cc2ccccc2)SC1=S	2297512974	KMBMOCFNVLMFES-UHFFFAOYSA-N	364.492	2.383	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N1CCC(OCCN2CCCC2)CC1	2308001866	VVMMGORFUYPMEA-UHFFFAOYSA-N	360.454	2.214	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@]12CCOC[C@H]1CN(C(=O)OC(C)(C)C)C2	2337777442	SWJHJZMPNGKOTM-DYVFJYSZSA-N	367.450	2.419	10	10	FECE	
COC(=O)[C@H](C)N1C(=O)/C(=C2\C(=O)Nc3ccc(C)cc32)SC1=S	1810166	CISNZGGJXZDIFN-BVKVCPRXSA-N	362.432	2.080	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2C[C@H](CO)[C@H](c3ccsc3)C2)cc1	188130557	JVDUWIFJWGLESL-MJGOQNOKSA-N	373.522	2.138	10	10	FECE	
CC[C@@H]1CO[C@@H](C)CN1c1cc2c(cc1Br)[C@H](N)C(=O)N2	92775424	YJJPNKCNELSZDD-QIBSRJKCSA-N	354.248	2.405	10	10	FECE	
C[C@H](CCCO)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92289167	MFKBIXOKCSZUTM-QGZVFWFLSA-N	374.529	2.179	10	10	FECE	
Cc1cc(CS(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)no1	265830601	UHXJTZJBQLXCIM-MRXNPFEDSA-N	366.439	2.200	10	10	FECE	
O=C(c1cccc(O)c1O)N1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1	366150503	DRWKFOBDRQAOMC-HNNXBMFYSA-N	358.438	2.353	10	10	FECE	
Cc1ccc(CNC(=O)[C@@H]2CNCCSC2)c(O)c1Br	2381146887	NZTASXZEPMTWCU-LLVKDONJSA-N	359.289	2.032	10	10	FECE	
CC[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N(CC)CC)cc2)CCO1	817705313	DFCDZTCUTYTLII-AEFFLSMTSA-N	361.486	2.223	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)C[C@@H]3CCOC[C@H]3OC)C2)cc1	819590567	KWPTUZOLJOFQCT-JTDSTZFVSA-N	362.470	2.079	10	10	FECE	
COC[C@H](C)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	825448766	QSWDCWPOFWOMQW-JTQLQIEISA-N	368.345	2.135	10	10	FECE	
C[C@@H]1C[C@H](NC/C=C\c2ccc(N(C)C)cc2)C(=O)N1c1cnn(C)c1	835041705	DHJCBFAAWIWCJF-RVBASHTNSA-N	353.470	2.283	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CC[C@@H]3C3CC3)cc2)C1	837769615	QKJLOUUQNGMJPZ-FUHWJXTLSA-N	356.470	2.082	10	10	FECE	
CN1CCN(c2ccc(CN3CCCC[C@@H]3[C@H]3C[C@H](N)CCO3)cc2)CC1	844910442	IIYCCOVAADVUMS-CEMLEFRQSA-N	372.557	2.299	10	10	FECE	
Cc1cc(C(=O)COC(=O)[C@]2(O)CCOC2)c(C)n1-c1ccc(F)cc1	840694275	WUKVBKKHNFJVLH-IBGZPJMESA-N	361.369	2.111	10	10	FECE	
CN1CCN(c2ccc(CN3C(=O)[C@@H]4[C@H]5CCC[C@@H]5CN4C3=O)cc2)CC1	925080026	PRGXXEYAMGRNRD-NEWSRXKRSA-N	368.481	2.001	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(CN1C(=O)c1c(F)ccc(O)c1O)C2	857322690	JWERIRFSOISPHV-UHFFFAOYSA-N	366.389	2.366	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ncc4c(F)cccn34)CC2)cc1	858129003	ITOHOYHGVOXKQB-UHFFFAOYSA-N	354.385	2.444	10	10	FECE	
COC(C)(C)[C@@H](C)NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	922822611	IYILRSCPCSHFAX-GFCCVEGCSA-N	371.428	2.414	10	10	FECE	
CNc1cnc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cn1	858926521	DNCJFYCJEOHJFX-KRWDZBQOSA-N	369.469	2.406	10	10	FECE	
CCCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	851925361	VRSKSLGRYCRSPF-QGZVFWFLSA-N	360.502	2.448	10	10	FECE	
CCOC(=O)[C@@]1(F)CN(C(=O)/C=C\c2ccc(O)c(O)c2)CC12CCC2	855243094	RGSOQOZRAGSMLJ-WPGJWXSHSA-N	363.385	2.395	10	10	FECE	
Cc1ccn([C@H](C)CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)n1	856209538	RNQYTOSJROQDMR-MRXNPFEDSA-N	356.470	2.420	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3[C@H]3C[C@@H]3C)cc2)CC1	867681479	XYNQNPPXPDCZIA-VVHHDAOASA-N	355.482	2.263	10	10	FECE	
CCC(C)(C)[C@H](C)NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1	1118592483	JGWGMFJVJPDNSN-HNNXBMFYSA-N	361.486	2.080	10	10	FECE	
COc1ccc(N2CCN(CC3(O)CCSCC3)CC2)c(OC)c1	879463508	ZBMSPKPVMDSSEX-UHFFFAOYSA-N	352.500	2.084	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1	871205651	JEVJBMRTNQHEDT-BBRMVZONSA-N	362.426	2.164	10	10	FECE	
CCOC(=O)c1cn(C)nc1NC(=O)NCCCSc1nccs1	779347077	GXSPBRBNYDRGSX-UHFFFAOYSA-N	369.472	2.357	10	10	FECE	
COc1cc(Cl)cc(CNCCn2ncc(Br)n2)c1O	1876002261	SPXACLIZQWDHBC-UHFFFAOYSA-N	361.627	2.198	10	10	FECE	
CN1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O	1084400606	XWPRVIGITYLNKE-XFFZJAGNSA-N	374.736	2.390	10	10	FECE	
C[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NCCc1ccc(O)c(O)c1	1962947773	BZZNCIJNOMDALI-GFCCVEGCSA-N	352.431	2.307	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1cc(F)c(N2CCOCC2)c(F)c1	1178911252	KYZKAOZSHFVHJW-UHFFFAOYSA-N	364.348	2.143	10	10	FECE	
CN1CCN(c2ccc(CN3CC[C@H](Nc4ncccn4)C3)cc2F)CC1	1327119900	CSXRJHGURNJQGD-KRWDZBQOSA-N	370.476	2.054	10	10	FECE	
CCCN(C(=O)C(=O)N1Cc2cccc(O)c2C1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C	1330430148	DQEUMUXHRBNNON-ZTFGCOKTSA-N	372.465	2.287	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CC2)n1CC1([S@](C)=O)CC1	1503488496	UZVJRFAPXDRFOB-VWLOTQADSA-N	360.483	2.409	10	10	FECE	
CCN1CCOC[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	1520960437	CRVNCBHYNPOLCP-INIZCTEOSA-N	373.419	2.364	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1	2132412297	BVAVMQKNUFXSNY-PWSUYJOCSA-N	366.414	2.036	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)c3cc(C=O)[nH]c3C)cc2F)CC1	1464947844	UAEXLQIBKACPQC-UHFFFAOYSA-N	372.444	2.347	10	10	FECE	
CS(=O)(=O)C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1	1465589071	KCDAKMVYUWLAHA-HNNXBMFYSA-N	374.422	2.365	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)NCCNc2ccccn2)N(C)C)cc1	1479535528	ULTXSYHNJVNPEA-SFHVURJKSA-N	370.501	2.162	10	10	FECE	
CC(C)CNC1(CO)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1	1557692432	AMKYHGQBQMYPIE-UHFFFAOYSA-N	361.446	2.062	10	10	FECE	
O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCCn1cnccc1=O	1651973546	ZJDLVCXDBYZZLY-UHFFFAOYSA-N	364.361	2.495	10	10	FECE	
CC(=O)N1CCC[C@@H](Cn2c(C)nnc2N(C)Cc2ccccc2O)C1	1749819328	VYVZBPYYVBDIJQ-MRXNPFEDSA-N	357.458	2.187	10	10	FECE	
COc1ccc(N2CCN(Cc3nnnn3Cc3ccccc3)CC2)cc1	20098605	GNDJNLGJXHSNQE-UHFFFAOYSA-N	364.453	2.052	10	10	FECE	
COc1ccc(CN[C@@H]2CC[C@H](CNC(=O)Cc3cnc[nH]3)C2)cc1C	1691634371	SFNGYAFGHHZJCY-DLBZAZTESA-N	356.470	2.344	10	10	FECE	
CC[C@@H]1CN2CCC[C@@H]2CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1	158996435	VGBFWYYIXPEPFQ-UYAOXDASSA-N	358.530	2.270	10	10	FECE	
O=C(NCCCSc1nccs1)[C@H]1CCCN1C1CCOCC1	155347704	QMFVFZJAXUAXLV-CQSZACIVSA-N	355.529	2.385	10	10	FECE	
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(CN=[N+]=[N-])CC2)CC(O)C1	2131460558	UHYCNXHUGVJQFJ-UHFFFAOYSA-N	367.450	2.201	10	10	FECE	
CC(C)(C)OC(=O)N1CCN([S@@](C)(=O)=Nc2ccc(N)cc2)CC1	1999517524	NRHKDARZZYLPQR-DEOSSOPVSA-N	354.476	2.466	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CNCc2ccc(O)c(O)c2O)C1	2031659911	IKSSWNBNEUWXEK-KZULUSFZSA-N	350.415	2.150	10	10	FECE	
C[C@H](c1ccc(F)cc1O)n1ncc(CN)c1I	2070401550	QEMZLRFXIKKZHZ-SSDOTTSWSA-N	361.158	2.400	10	10	FECE	
C[C@H]1[C@H](C)S(=O)(=O)CCN1c1ccc([C@@H](C)N)cc1Br	2170277516	PLJYPANFTBKRBU-VWYCJHECSA-N	361.305	2.481	10	10	FECE	
CN[C@H](c1ccc(N(C)C)cc1)[C@H](CN(C)C)NC(=O)OC(C)(C)C	2044752482	NMCNAELIOGJLEG-DLBZAZTESA-N	350.507	2.468	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@]1(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CCOC1	2060632995	ILHRGMHIPKKUNC-WBMJQRKESA-N	353.423	2.171	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2060619942	TULIMJCKEISFFA-NWDGAFQWSA-N	353.423	2.075	10	10	FECE	
CO[C@@H]1CN(CCCOc2ccc(N)cc2)C[C@@H]1NC(=O)OC(C)(C)C	2122656612	XQRGNTWYBCENES-DLBZAZTESA-N	365.474	2.262	10	10	FECE	
Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccccc3N)C2=O)cc1C	2296937013	AEFQXGBIZFHMIK-UHFFFAOYSA-N	350.378	2.464	10	10	FECE	
CCC(C)=C1C(=O)NN(c2ccc(I)cc2)C1=O	2297577902	ITQYGYQVGRSENS-UHFFFAOYSA-N	356.163	2.396	10	10	FECE	
Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])cn1	2333612403	OIEPOJDKLOWYLR-FRRDWIJNSA-N	363.422	2.334	10	10	FECE	
CN(C)c1ccc(C=c2sc3nc(-c4cccs4)nn3c2=O)cc1	254498687	OJAASMDSOBUELZ-UHFFFAOYSA-N	354.460	2.493	10	10	FECE	
CC1(C)CCC(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)CC1	284116313	QOCRMEOOQKCHFD-UHFFFAOYSA-N	373.497	2.224	10	10	FECE	
O=C(NCC[C@@H]1CCOC1)C(=O)N(Cc1ccco1)Cc1ccccc1O	807326854	OAZBLVMDSBYABE-OAHLLOKOSA-N	372.421	2.057	10	10	FECE	
CN1CCc2cc([C@H](N)c3cnn(C)c3CNC(=O)OC(C)(C)C)ccc21	2163144544	NHHNRKCXWKDQQZ-SFHVURJKSA-N	371.485	2.485	10	10	FECE	
CN(C[C@H](O)CNCc1ccc(N(C)C)c(F)c1)C(=O)OC(C)(C)C	818985799	ZYSJRDLQXCVVTO-CQSZACIVSA-N	355.454	2.209	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@@]3(O)CN(C(=O)OC(C)(C)C)C3(C)C)ccc21	2132342293	BUGNBWYEOMTUTM-UZLBHIALSA-N	361.486	2.439	10	10	FECE	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)NC1C[C@H]2C[C@@H]2C1	823688271	KILCBECOCHTSAO-CHWSQXEVSA-N	351.397	2.399	10	10	FECE	
Cc1cc(C(=O)CN2CCN(C[C@@H](C)O)CC2)c(C)n1-c1ccccc1	739391272	HTEXNDPUHNZEIR-QGZVFWFLSA-N	355.482	2.275	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	588406018	GNOQCUJQAFHKSS-WAPJZHGLSA-N	369.377	2.368	10	10	FECE	
CC1(C)CC[C@@H](C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)O1	837710277	LEJGDGYZOIQNDX-HNNXBMFYSA-N	354.397	2.375	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1cnn(C2CCC2)c1	914207527	QPVGSRMMFJSHQV-UHFFFAOYSA-N	362.455	2.262	10	10	FECE	
C[C@H]1CCN(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1	847591222	SCIJPPUUJXUEKD-YOEHRIQHSA-N	365.905	2.468	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)c3ccccc3C=O)C2)cc1	849415962	IYLIOFZCQVUNAI-OAHLLOKOSA-N	360.435	2.065	10	10	FECE	
COc1cc(Br)cc([C@H](C)NC[C@@H](O)CN2CCCC2)c1O	848524852	XWMXCMJKXQDCES-WCQYABFASA-N	373.291	2.271	10	10	FECE	
Cc1cc(C(=O)CN2CCN3C[C@H](O)C[C@H]3C2)c(C)n1-c1cccc(F)c1	847040388	OCHMOTVATTUZGH-RBUKOAKNSA-N	371.456	2.167	10	10	FECE	
CC(C)(C)OC(=O)Cn1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)n1	856438563	SUHXFJYINDVOOO-FNORWQNLSA-N	359.382	2.288	10	10	FECE	
CCOC[C@H]1CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CCO1	858762488	ISFCQOXBSZGPOR-BRLPQQTGSA-N	350.371	2.023	10	10	FECE	
CCC1(NC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CCC1	752900528	DTWKZOKVBNYAMS-UHFFFAOYSA-N	360.502	2.449	10	10	FECE	
Fc1cc(CN[C@@H]2CCOC23CCOCC3)ccc1N1CCOCC1	924711344	SLYJGQLQZPIISY-GOSISDBHSA-N	350.434	2.090	10	10	FECE	
O=C(NCc1ccc(N2CCCCC2)cc1)c1cn(C[C@H]2CCOC2)nn1	858836421	XKVAJMJQVMLDLK-QGZVFWFLSA-N	369.469	2.235	10	10	FECE	
COc1ccc(CNC(=O)NC[C@]2(C)COc3ccccc3O2)c(O)c1	858674324	JZUBLMOZIDWALF-LJQANCHMSA-N	358.394	2.430	10	10	FECE	
CCn1nccc1S(=O)(=O)Nc1ccnn1Cc1ccc(N(C)C)cc1	769850487	UTPHLLBSTOYBOE-UHFFFAOYSA-N	374.470	2.015	10	10	FECE	
C[C@H](NC(=O)Cn1cnc2ccccc2c1=O)c1ccc(N(C)C)cc1	773987415	DHNFQLBEVPTCOO-AWEZNQCLSA-N	350.422	2.340	10	10	FECE	
C[C@H]1C[C@H](C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CO1	784146095	NKPALJZRQFVEGC-LPHOPBHVSA-N	357.498	2.260	10	10	FECE	
COc1cccc(CNC(=O)c2cccc(S(=O)(=O)C(F)F)c2)c1O	1137473582	OGBKJIFBWUZKNY-UHFFFAOYSA-N	371.361	2.327	10	10	FECE	
CC[C@@H](C)NC(=O)c1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1	1141715435	MHFCDRHHFMXTQC-CYBMUJFWSA-N	356.422	2.485	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCCc1nnc(S)n1C	1230474993	ZDHGBDUTIAWSCX-UHFFFAOYSA-N	374.514	2.088	10	10	FECE	
COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCc1cc(C)ccc1O	1328768018	AGPQXLSQEFYKJE-UHFFFAOYSA-N	353.396	2.176	10	10	FECE	
CN(C)CCN(C(=O)OC(C)(C)C)[C@@H](CN)c1ccc2c(c1)CCN2C	698357932	XVWHDKOTUKTODV-SFHVURJKSA-N	362.518	2.477	10	10	FECE	
COc1ccc([C@H](C)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c(O)c1	2116262308	PYRTXVLRTVWULM-YLQAJVPDSA-N	366.458	2.422	10	10	FECE	
CCOC1CC(O)(Cn2c(C3CC3)nnc2N(C)Cc2ccccc2O)C1	1616574826	INCKLEBRTCEHOM-UHFFFAOYSA-N	372.469	2.428	10	10	FECE	
C[C@@H](NC(=O)/C=C\[C@H]1COC(C)(C)O1)c1ccc(N2CCOCC2)cc1	1542402971	FHXDEEKRFDFSCV-MMARLYJUSA-N	360.454	2.408	10	10	FECE	
CC(C)(C)OC(=O)NCC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(F)F	1556716396	KBCQLLSEBAHLBC-LLVKDONJSA-N	374.384	2.305	10	10	FECE	
O=C(NCc1ccc(O)cc1O)[C@@H]1CCCN1C(=O)Nc1ccccc1	1638356540	KMAXSDZPOIFALI-INIZCTEOSA-N	355.394	2.411	10	10	FECE	
C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)c1ccccc1O	1648892008	LADWYNMFGPTXOB-RYUDHWBXSA-N	366.414	2.076	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N3CC[C@H](N=[N+]=[N-])C3)=NO2)C1	2124505789	PJIBTXNLVIBHIW-ZBEGNZNMSA-N	364.406	2.054	10	10	FECE	
Cc1cc(C(=O)Nc2n[nH]cc2C(=O)N(C)C)c(C)n1-c1ccccn1	1595347836	PIFWADSYTGBZLZ-UHFFFAOYSA-N	352.398	2.166	10	10	FECE	
C[C@H]1C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)CN(Cc2ccccc2)C1	2132407281	ODBHWECUWAVMJA-BBRMVZONSA-N	356.422	2.444	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@]1(C)CNC(=O)c1cc(O)c(O)c(O)c1	2132410059	KCWJPKKURLXTRP-SFHVURJKSA-N	366.414	2.323	10	10	FECE	
COc1cc(O)c(CN2CCNC(=O)C[C@@H]2c2ccccc2)cc1OC	159954525	AKSAZGYUSOYLJT-MRXNPFEDSA-N	356.422	2.473	10	10	FECE	
CN(C)c1ccc(CNCCC(=O)NCCc2nc3ccccc3[nH]2)cc1	1860708763	WVWJHWWOJCSWNW-UHFFFAOYSA-N	365.481	2.468	10	10	FECE	
C[C@H](N=c1nc([C@H](C)NC(=O)OC(C)(C)C)[nH][nH]1)c1cc(O)ccc1O	2130119291	OXVJBOFZMSNUGD-UWVGGRQHSA-N	363.418	2.397	10	10	FECE	
C[C@H]1C[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)CN1C(=O)OC(C)(C)C	2132406540	IWVFSGXTSVLTSZ-WDEREUQCSA-N	366.414	2.179	10	10	FECE	
CCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N(C)CCCN=[N+]=[N-]	2060616828	GCSPRZRVUYSSFD-STQMWFEESA-N	355.439	2.417	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CO1	2060609495	WMHVEZRGWQHEST-FRRDWIJNSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2060617987	UIZHXPYWSLPXJZ-JHJVBQTASA-N	353.423	2.048	10	10	FECE	
O=C(NC[C@@]12CC[C@@H]1CN(Cc1ccccc1)C2)c1cc(O)c(O)c(O)c1	2201252489	YNOVWYBUPSIAHY-IIBYNOLFSA-N	368.433	2.445	10	10	FECE	
Cc1cccc(O)c1CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O	2081047441	PDEUUJXREVLOHG-AWEZNQCLSA-N	350.415	2.207	10	10	FECE	
CCN1CCc2cc([C@@H](N)[C@H](O)C3(NC(=O)OC(C)(C)C)CC3)ccc21	2106854144	ZLAFLGPJHQQNHA-SJORKVTESA-N	361.486	2.487	10	10	FECE	
CC(C)(C)OC(=O)NCCc1n[nH]cc1C(=O)N1CCC(N=[N+]=[N-])CC1	2227023520	AMZBWOUJFJVUHE-UHFFFAOYSA-N	363.422	2.392	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C1	2278886763	HWAMXHSXHFPNMF-IGCXYCKISA-N	365.434	2.314	10	10	FECE	
COC(=O)[C@H](C)N1C(=O)C(=Cc2ccc(C(=O)O)cc2)SC1=S	2293308618	IUIGRXPPGWDYGK-QMMMGPOBSA-N	351.405	2.148	10	10	FECE	
CNC(=O)c1cncc(C=CC(=O)NCc2c(O)ccc3c2CCCC3)c1	2301550582	VHZNSGVNHDVZEA-UHFFFAOYSA-N	365.433	2.355	10	10	FECE	
CCCCNS(=O)(=O)c1ccc2[nH]c(O)c(N=NC(N)=S)c2c1	2333133300	GRDQXRGYQVFTIG-UHFFFAOYSA-N	355.445	2.279	10	10	FECE	
CN(CCOCC1CC1)c1cc2c(cc1Br)[C@H](N)C(=O)N2	124496872	XSLOLVFFBPOSGB-AWEZNQCLSA-N	354.248	2.264	10	10	FECE	
COc1ccc(N2CCN(C)CC2)cc1NC(=O)c1ccc2c(c1)OCO2	74586736	XQMJBYKOVMGNDZ-UHFFFAOYSA-N	369.421	2.428	10	10	FECE	
CNc1ncc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)s1	136806676	ZIJDCHLNAPTPLV-UHFFFAOYSA-N	364.446	2.215	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1	74190158	BYGCMZVCCUNWOM-UYAOXDASSA-N	366.465	2.326	10	10	FECE	
C[C@@H](c1cc(Br)ccc1O)N1CCN(CCN(C)C)CC1	133871927	MDWDUYMOAYCDPU-ZDUSSCGKSA-N	356.308	2.395	10	10	FECE	
C[C@@H](NC(=O)/C=C\c1ccc(N2CCOCC2)cc1)C(=O)OC(C)(C)C	255368371	RGUFUQKHTUZCQZ-YYRKOSNBSA-N	360.454	2.383	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC(CCC(N)=O)CC2)c([N+](=O)[O-])c1	271092302	KOSFVQWQMVRZNL-QPJJXVBHSA-N	361.398	2.263	10	10	FECE	
Cc1ccc(CN2C[C@H](C)S(=O)(=O)[C@@H](C)C2)c(O)c1Br	2380733214	NIRZGLJODSHRHA-QWRGUYRKSA-N	362.289	2.471	10	10	FECE	
CCO[C@@H]1C[C@H](NC(=O)NCc2cc(Br)ccc2O)[C@@H]1OC	805311837	ZUTYHOIYGIYTPR-YUTCNCBUSA-N	373.247	2.146	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3C[C@H]4COC[C@@H](C3)O4)c2C)cc1	801142842	NDGJQOHLKLERQP-HDICACEKSA-N	356.422	2.343	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)c3ccnc4[nH]cnc34)C2)cc1	819586116	KAAVGCJIWDBUAJ-ZDUSSCGKSA-N	351.410	2.223	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1nn(C)c(C)c1Cl	819699626	HWWIEQWTRZAZLD-UHFFFAOYSA-N	365.817	2.293	10	10	FECE	
CC1(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C[C@H]2C[C@@H]2C1	815074331	PDEWRASGVDJTNU-GVDBMIGSSA-N	355.482	2.441	10	10	FECE	
C[C@H](CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@H]1CCCO1	822937734	LZLUPWNTUPYMKM-HHXXYDBFSA-N	373.497	2.210	10	10	FECE	
O=C(OCc1ccc(S(=O)(=O)NC2CC2)cc1)c1cc(O)cs1	845116177	YROHIWNUBWKWJY-UHFFFAOYSA-N	353.421	2.251	10	10	FECE	
C[C@H]1CN([C@H](C)CNCc2ccc(N3CCN(C)CC3)cc2)C[C@@H](C)O1	848563782	XMWQRWKBQCUFLW-QRVBRYPASA-N	360.546	2.026	10	10	FECE	
CN(C)C(=O)COc1cccc(NC(=O)N2Cc3cccc(O)c3C2)c1	929773619	GBZVCINPPBNVFP-UHFFFAOYSA-N	355.394	2.407	10	10	FECE	
COCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2cc(C)cc(OC)c2O)C1	754723366	QZHVVRXSBFZMLQ-CABCVRRESA-N	350.459	2.072	10	10	FECE	
COc1ccc(N2CC[C@@H](Nc3ccc4ncc([N+](=O)[O-])n4n3)C2)cc1	853759049	OBDWVGDIJOWSTK-GFCCVEGCSA-N	354.370	2.337	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N[C@H](C)c3ccnn3C)C2)cc1	868720777	QJCYOUNBGLRIHO-CABCVRRESA-N	357.458	2.315	10	10	FECE	
COc1cc2c(cc1OC)CCN(Cc1cc3c(cc1O)OC[C@H]3O)CC2	768442808	NZPLBUDBNBJIMP-GOSISDBHSA-N	371.433	2.436	10	10	FECE	
CCn1nccc1CN(CCO)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	793165747	BCLUYXRLRBYJLD-OAHLLOKOSA-N	359.474	2.234	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccccc1O)[C@H](O)C(C)(C)C	1877999503	AIZODYSRFSEGDC-GJZGRUSLSA-N	366.458	2.309	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@H](CN=[N+]=[N-])C1)[C@H](O)C(C)(C)C	1878002801	XRZYLZMXDGWQOU-AVGNSLFASA-N	369.466	2.446	10	10	FECE	
Cc1cn(C(C)(C)C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cn1	898983528	VIRSBMMOLBDAMS-UHFFFAOYSA-N	356.470	2.204	10	10	FECE	
O=C(NCC(=O)N1Cc2cccc(O)c2C1)NCc1ccc(Cl)cc1	1152572726	GLMURHBJRNKANZ-UHFFFAOYSA-N	359.813	2.387	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CC[C@@H](c3noc(C)n3)C2)c([N+](=O)[O-])c1	1307208562	IZSDHXBPCPDUPW-DIECRNLCSA-N	358.354	2.466	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)c1cccc(O)c1	1466674157	JYNZUOAJXKXCOL-WBMJQRKESA-N	373.405	2.198	10	10	FECE	
O=C(NCCN1CCCC1)c1ccc(NC(=O)c2cccc(O)c2O)cc1	1543416013	BIYCVSWRIJSTFL-UHFFFAOYSA-N	369.421	2.176	10	10	FECE	
C#C[C@@H](C)N(C)c1nnc(CC)n1Cc1ccc(N2CCOCC2)c(F)c1	1705496381	FNJKOASPHJAROI-OAHLLOKOSA-N	371.460	2.322	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2c(O)cccc2Cl)c1	1556784583	YOTRHDMJIAZDIZ-UHFFFAOYSA-N	356.787	2.375	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCCC1CCN(CC(F)(F)F)CC1	1621583390	TYNIONWZLBCLBR-UHFFFAOYSA-N	360.376	2.421	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)NCc1ccc(O)c(O)c1	1631438431	FKYWTJRHMXBDRU-ZDUSSCGKSA-N	350.415	2.407	10	10	FECE	
CON(C)c1nnc(C2CC2)n1Cc1ccc(N2CCC(CO)CC2)cc1	1730966255	BKRQCCRMLKPRIC-UHFFFAOYSA-N	371.485	2.410	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1C[C@]1(C)CN(C2CC2)C1=O	1744548685	IVJKMSPDJCZZQW-FQEVSTJZSA-N	369.469	2.193	10	10	FECE	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1nsnc1O	1587151717	XZBNSMCNBJHEHZ-VIFPVBQESA-N	370.381	2.244	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C1	2124507895	CYKLAMAJLIIURR-UONOGXRCSA-N	366.466	2.277	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C1	2124507893	CYKLAMAJLIIURR-KGLIPLIRSA-N	366.466	2.277	10	10	FECE	
C[C@H](Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccccc1O)N(C)C	1692725599	IROJGVQDCLCRPV-RHSMWYFYSA-N	359.474	2.422	10	10	FECE	
CCN[C@@H]1C(=O)Nc2cc(N(CC)CCCO)c(Br)cc21	165219235	NXBVLZUQHQKPDW-AWEZNQCLSA-N	356.264	2.261	10	10	FECE	
CCOc1ccc(NC(=O)c2nnn(-c3ccc(N)cc3)n2)cc1OCC	1857878558	HELLUOXVOLHUCY-UHFFFAOYSA-N	368.397	2.294	10	10	FECE	
O=C(OCc1ccccc1)N1CCO[C@@H](CNCc2ccc(O)c(O)c2)C1	310053071	MHSUIBUMZLGEIX-KRWDZBQOSA-N	372.421	2.225	10	10	FECE	
C[C@H](O)c1ccc(N2CC(C)(CS(C)(=O)=O)C2)c(Br)c1	2173195229	NBKSCCWISLGDSB-JTQLQIEISA-N	362.289	2.373	10	10	FECE	
CNC(=O)c1nn(Cc2c(C)cccc2O)c(C(F)(F)F)c1[N+](=O)[O-]	2079172162	MEPWSQMYWJUZCM-UHFFFAOYSA-N	358.276	2.232	10	10	FECE	
CN(C[C@@H](O)CCC(=O)O)c1ccc(CNC(=O)OC(C)(C)C)cc1	2044513642	LHLXLCZURHAOBR-HNNXBMFYSA-N	352.431	2.373	10	10	FECE	
CCCOc1cc(N(CCO)CCNC(=O)OC(C)(C)C)ccc1N	2044715482	RQYFYCZTASVICN-UHFFFAOYSA-N	353.463	2.381	10	10	FECE	
Cc1cccc(CNC[C@@H]2C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c1O	2052661528	WTFZOQAANHJBKT-NUEKZKHPSA-N	350.459	2.454	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@]1(C(=O)N2CCC(N=[N+]=[N-])CC2)CCOC1	2060634027	UUNFUFLTFLRZSW-INIZCTEOSA-N	353.423	2.314	10	10	FECE	
COCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2060640729	YCMXIVMDOXCDFT-OLZOCXBDSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CCO[C@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060615712	RLHOJHVCCUGDRP-JHJVBQTASA-N	353.423	2.218	10	10	FECE	
C[C@@](NC(=O)C(F)(F)F)(C(=O)N1CCC[C@@H](N=[N+]=[N-])C1)C(F)(F)F	2060639182	FJYBPLWKBPYHMF-HZGVNTEJSA-N	361.246	2.287	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CN(CC(=O)Nc1ccc(N)cc1)C2	2201358288	SOATVEGTIXEXRD-JLTOFOAXSA-N	374.485	2.444	10	10	FECE	
Cc1cc(Br)c(N2C(=O)NC(=O)C(=CN(C)C)C2=O)cc1C	2297534357	NVGHTKGQROUUJH-UHFFFAOYSA-N	366.215	2.094	10	10	FECE	
COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)c1cc(C)n(-c2ccccc2)c1C	111144457	UUFKILRWHWAFOT-AEFFLSMTSA-N	356.422	2.497	10	10	FECE	
Cc1cc(C(=O)N2CCOC[C@H]2C(N)=O)c(C)n1-c1cccc(Cl)c1	180266502	DSQAJHNGMUTPLT-INIZCTEOSA-N	361.829	2.074	10	10	FECE	
C[C@]1(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C[C@H]2CC[C@H]1O2	249294751	BQLQIELHMNOEOJ-ZTNFWEORSA-N	362.445	2.361	10	10	FECE	
Cc1cc(=O)n(C)cc1NC(=O)/C=C\c1ccc(N2CCOCC2)cc1	254968023	JDVQYAZWTDNZMQ-YVMONPNESA-N	353.422	2.182	10	10	FECE	
O=C(NCc1ccccc1O)[C@H]1CC[C@@H](C(=O)NCc2ccccc2O)C1	298428177	PZHVIWNIWDEXNN-GASCZTMLSA-N	368.433	2.447	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)C1C[C@H]2COC[C@@H](C1)C2=O	739700561	SCUVSMZDHNEKGE-ALOPSCKCSA-N	374.506	2.098	10	10	FECE	
COC(=O)[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1	839676500	XBZYNTRWCRAEDF-UXLLHSPISA-N	361.438	2.489	10	10	FECE	
COc1ccc(N2CCCN(C(=O)c3ccn4nccc4n3)CC2)cc1	900293951	ADBZYSAAAZNYCA-UHFFFAOYSA-N	351.410	2.090	10	10	FECE	
Cc1cc(CC(=O)NC[C@@H](CO)[C@@H]2CCOC2)c(C)n1-c1ccccc1	846985919	FZYWWXDFEUYBRD-MJGOQNOKSA-N	356.466	2.398	10	10	FECE	
C[C@@H]1[C@@H](NC(=O)NCCc2ccc(N)cc2)CC(=O)N1Cc1ccccc1	841897139	VVLYLAMTBUFWCM-BEFAXECRSA-N	366.465	2.300	10	10	FECE	
COc1ccc(CNC[C@@]2(CO)COCCN2Cc2ccccc2)cc1C	850396175	QZBBDMGSUAZGTL-JOCHJYFZSA-N	370.493	2.357	10	10	FECE	
COC[C@H](CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1)C(C)C	923337442	PLGFAKSXODZCBZ-KRWDZBQOSA-N	363.502	2.366	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC(NC(=O)OC)CC2)c([N+](=O)[O-])c1	853993118	HXIKQGDKENFQQH-GQCTYLIASA-N	363.370	2.106	10	10	FECE	
COc1ccc(N2CCN(CCN[C@H]3CCN(C)C(C)(C)C3)CC2)cc1	858112961	CQUMPFGISMPAMM-SFHVURJKSA-N	360.546	2.280	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)CC3CCN(OC)CC3)C2)cc1	854981729	ZNHMBVYVBBWMFC-QGZVFWFLSA-N	361.486	2.301	10	10	FECE	
COC[C@]1(C)CN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CCO1	858543442	ITZCNIRXZYZMKE-UZLBHIALSA-N	363.502	2.439	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(C)nc(C)n1	755889940	LPFDQQWAYDVLTI-UHFFFAOYSA-N	363.801	2.268	10	10	FECE	
O=C(c1ccccc1)N1C[C@@H](CNCc2ccccc2O)N2CC[C@H]1C2	767154678	HRMWCBUEBOGZSU-RBUKOAKNSA-N	351.450	2.081	10	10	FECE	
CCO[C@@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)C1CCOCC1	864470826	QUUYYLWIGZZFBD-LJQANCHMSA-N	362.470	2.176	10	10	FECE	
CC1(CNC(=O)c2cc(O)c(O)c(O)c2)CC(NC(=O)OC(C)(C)C)C1	2132399910	IVYJZRIHFGSINW-UHFFFAOYSA-N	366.414	2.227	10	10	FECE	
COc1ccc(N2CCN(CCCNCc3ncnn3C(C)C)CC2)cc1	865405342	GUBQLBLOYATAJE-UHFFFAOYSA-N	372.517	2.170	10	10	FECE	
CN(C)c1ccc(CN(C(=O)C(=O)NC[C@]2(C)CC2(F)F)C2CC2)cc1	1118497455	HFXDUHXDSACSBU-SFHVURJKSA-N	365.424	2.405	10	10	FECE	
CC[C@@H](OC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2)C(N)=O	769665620	VXRKCZDYLLOEMM-GOSISDBHSA-N	357.454	2.215	10	10	FECE	
O=C(CCCN1C(=O)c2ccccc2C1=O)N1Cc2cccc(O)c2C1	871199778	UNMZRBRRSHFQCU-UHFFFAOYSA-N	350.374	2.311	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)c1	773996173	IVERFWAPKRHCCH-ONEGZZNKSA-N	366.377	2.260	10	10	FECE	
O=C(O)c1cc(O)ccc1NS(=O)(=O)c1c(Cl)nc2ccccn12	776433089	NEVZYZXNTPXZQY-UHFFFAOYSA-N	367.770	2.192	10	10	FECE	
CSCC[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1nnc2ccccn12	1136009576	XFJMWJKBSRLCJG-ZDUSSCGKSA-N	372.450	2.294	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CC(F)(F)C[C@H]1CO	780300375	HZGKGYKUMFRKCN-HNNXBMFYSA-N	371.453	2.151	10	10	FECE	
O=C(Cn1c(S)nnc1-c1cccs1)NCc1cccc(O)c1O	1303193712	QPOFZTJFLFUPBD-UHFFFAOYSA-N	362.436	2.023	10	10	FECE	
CCOc1ccc(O)c(CNC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1	897691783	IBMRFDKKGWRXKD-IBGZPJMESA-N	366.458	2.252	10	10	FECE	
O=C(N[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1)c1ccccc1	1182823501	SAVHHSPKGMDSLN-ZDUSSCGKSA-N	358.369	2.272	10	10	FECE	
Cc1cc(CC(=O)NC[C@H](C(=O)O)[C@H]2CCOC2)c(C)n1-c1ccccc1	1345169954	IQTIAPLJAWZKDX-LPHOPBHVSA-N	370.449	2.490	10	10	FECE	
CN1CCN(c2ccc(CN3C[C@@H]4[C@@H](C3)[C@H]3CC[C@H]4CN3)cc2F)CC1	1351679270	LTRIJFNDIYLGAP-PNYFIKQUSA-N	358.505	2.007	10	10	FECE	
Cc1ccoc1C(=O)NCCCNC(=O)c1ccc(N=NC(N)=O)cc1	1465374638	DZQGTRVXUDLBFW-UHFFFAOYSA-N	357.370	2.300	10	10	FECE	
C[C@@H]1C[C@H]1n1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1O	1543748540	JDWXJGDSZSIYCC-UKRRQHHQSA-N	355.442	2.323	10	10	FECE	
CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)cc1C	1710034676	CKCVMIQDJDFPAV-QGZVFWFLSA-N	370.501	2.498	10	10	FECE	
Cc1cccc([C@@H]2C(=O)NCCN2C(=O)/C=C/c2ccc(O)c(O)c2)c1	1557637803	DOIQXAXEZUUOCD-ZLQZBKBYSA-N	352.390	2.119	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCCCC2=O)cc1	1631256579	RQAJRCMYKXMCSZ-HUUCEWRRSA-N	358.398	2.449	10	10	FECE	
COC(=O)Cc1ccccc1CNC(=O)c1ccc(N=NC(N)=O)cc1	1640512687	KQWLFWRDEKPRCU-UHFFFAOYSA-N	354.366	2.495	10	10	FECE	
C[C@H]1COC[C@@H](C(=O)N(C)Cc2ccccc2O)N1C(=O)OC(C)(C)C	2124184611	XTPGRHGRINDISQ-ZFWWWQNUSA-N	364.442	2.375	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2124515084	YCVUIGWBXRIQNW-YIYPIFLZSA-N	365.434	2.170	10	10	FECE	
CC[C@H]1C(=O)NCCN1c1nnc(C)n1Cc1ccc(N(CC)CC)cc1	1764993915	AWLOWXXHDSDEFO-SFHVURJKSA-N	370.501	2.196	10	10	FECE	
CC(C)[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(C)(C)O	1687807010	MESQYMPXAFBLKQ-ROUUACIJSA-N	364.534	2.450	10	10	FECE	
COC(=O)[C@@H](C)N1C(=O)/C(=C\c2ccc(O)c(OC)c2)SC1=S	6098117	AOJUWBUNWWSWIV-LQGZHCLWSA-N	353.421	2.164	10	10	FECE	
CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(O)cc3)c2C)C(=O)NC1=S	5926519	HGUQTMJZCSVXKC-YBEGLDIGSA-N	369.446	2.446	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)c1nc(=NCc2ccc(N(C)C)cc2)[nH][nH]1	2130119346	PLCPGYSPGNCPMR-GFCCVEGCSA-N	360.462	2.490	10	10	FECE	
O=C(N[C@@H]1CC[C@H]1NCc1ccc(O)c(O)c1O)OCc1ccccc1	1977132338	UGSYWONYBFUATB-HUUCEWRRSA-N	358.394	2.350	10	10	FECE	
C[C@@H](O)c1ccc(N2C[C@H]3CCS(=O)(=O)[C@H]3C2)c(Br)c1	2145050191	PGYAIJDEURIATB-UDZFHETQSA-N	360.273	2.126	10	10	FECE	
CN(Cc1ccccc1)[C@@]1(CNC(=O)COc2ccc(N)cc2)CCOC1	2155171913	XJOSCRZZOGSFLI-OAQYLSRUSA-N	369.465	2.055	10	10	FECE	
CCN(c1ccc(CNC)cc1Br)[C@H]1CCS(=O)(=O)C1	387279393	VCRSGKZDQFUOGU-LBPRGKRZSA-N	361.305	2.182	10	10	FECE	
O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1	2188918498	FPJXNBDKNCVFCP-DOTOQJQBSA-N	368.433	2.398	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1[C@H]2CC[C@H]1N(c1cc3c(cc1N)OCC(=O)N3)C2	2184068428	LYNTWWAQJAOWEJ-GDKCJGSASA-N	374.441	2.092	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](CC(=O)N2CC[C@H](N=[N+]=[N-])C2)O1	2060638909	CFXKULSLLKSFQA-FRRDWIJNSA-N	353.423	2.312	10	10	FECE	
COc1ccc(CNC[C@@H]2CO[C@H](CNC(=O)OC(C)(C)C)C2)c(O)c1	2102870989	SBQVOWYDVYFQFX-CJNGLKHVSA-N	366.458	2.420	10	10	FECE	
CC(C)(C)OC(=O)N1[C@@H](CNCc2ccc(O)c(O)c2O)COC1(C)C	2103042665	WIACNSXLMGYQAQ-LBPRGKRZSA-N	368.430	2.265	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(F)cc2O)[C@@H](CO)C1	2084177675	YWFMZZLGNDKOSV-UKRRQHHQSA-N	354.422	2.239	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2218738486	PQYZCAAHIOQGKY-LPWJVIDDSA-N	353.423	2.358	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-]	2218746537	QKXSWVBCGWSQIP-LGSVPQMISA-N	353.423	2.264	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]12C[C@H]1CN(CC(=O)Nc1ccc(N)cc1)C2	2272655443	PGXILZIRSYHYMM-ORAYPTAESA-N	360.458	2.054	10	10	FECE	
C[C@H](NC(=O)[C@H]1CC[C@H](O)CN1C(=O)OC(C)(C)C)c1ccccc1O	2264610641	XUQWDAKQDCFZAE-KCQAQPDRSA-N	364.442	2.330	10	10	FECE	
COC(=O)CN1C(=O)C(=Cc2ccc(OC)c(OC)c2)SC1=S	2297306444	UWLMAXHLHODNRZ-UHFFFAOYSA-N	353.421	2.078	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@]1(C)C(=O)N1CCc2cc(O)c(O)cc2C1	2341199429	SQRPSMITWNBURN-LJQANCHMSA-N	362.426	2.382	10	10	FECE	
CN1C(=O)Cc2cc(N3CCN(C(=O)NC4CCCCC4)CC3)ccc21	62576023	XHNFLWIKMJDTIA-UHFFFAOYSA-N	356.470	2.370	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)c1	67594088	DPGLXFKFMWJZBR-UKRRQHHQSA-N	364.398	2.189	10	10	FECE	
C[C@H]1CN(C2CCN(C(=O)NCc3ccc(N(C)C)cc3)CC2)CCO1	123000292	HJTCTKJKKFAXFL-INIZCTEOSA-N	360.502	2.147	10	10	FECE	
Nc1ccc(NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1	243670114	PDLWEJKXBOOLIV-UHFFFAOYSA-N	368.349	2.192	10	10	FECE	
CC1(C)OC[C@H](CNC(=O)NCc2cc(Br)ccc2O)O1	807095432	DCQOCXGDLZUWAY-NSHDSACASA-N	359.220	2.105	10	10	FECE	
CC(=O)C(=O)CSc1nc(O)c2cnn(-c3cccc(Cl)c3)c2n1	808019731	IFDNVUVHHBBXGJ-UHFFFAOYSA-N	362.798	2.425	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)/C=C/[C@H]3CCCO3)CC2)cc1	819032315	AXYAOWRJUZICJW-SQUSKLHYSA-N	373.497	2.059	10	10	FECE	
COc1ccc(N2C(=O)CN(Cc3ccccc3O)C2=O)c(OC)c1OC	819008116	KRPCSTYCQMBAGL-UHFFFAOYSA-N	372.377	2.387	10	10	FECE	
CC[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCO1	817154782	PGZLYQPEZNGLJX-HOTGVXAUSA-N	365.449	2.419	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCc3c(F)ccc(F)c32)c1	817828042	ZYEYSSDVSKMRQF-UHFFFAOYSA-N	368.361	2.245	10	10	FECE	
COc1ccc(N2CCN(C(=O)COC(=O)C(F)=C3CCC3)CC2)cc1	821380403	QEJWIKLIVWLTHL-UHFFFAOYSA-N	362.401	2.295	10	10	FECE	
CC[C@H](NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@@H](C)O	838533010	JOGWMYFGNGQBBS-UZLBHIALSA-N	374.529	2.177	10	10	FECE	
CC(C)(C)OCCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	746727209	NGOLKACCRKSTAP-UHFFFAOYSA-N	367.465	2.401	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NC[C@H](O)c2cnn(C)c2)c1O	848529466	NWXDCUISQOHSPD-RNCFNFMXSA-N	370.247	2.281	10	10	FECE	
COC1CCN(c2ccc(CN3C[C@H](OC)C[C@@H]3CC(=O)O)cc2)CC1	846286756	YNXLIUZAFIHFAJ-IEBWSBKVSA-N	362.470	2.366	10	10	FECE	
C[C@@H](NCCN1CCC(N)CC1)c1cc(Br)c(F)cc1O	925813770	YKDFHXDYZBNVKT-SNVBAGLBSA-N	360.271	2.368	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cnn4c3C[C@H](C)CC4)C2)cc1	855227169	WGROVJIHEBPQPL-HUUCEWRRSA-N	354.454	2.483	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCO[C@H](CC(F)(F)F)C1	852742963	XYWFTSGRZUPXNP-MRXNPFEDSA-N	373.419	2.364	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccnc2c1CC(=O)N2	854947793	GOBQVKLLBWIIJN-ZDUSSCGKSA-N	352.438	2.312	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)C2)cc1	852139163	LNFHMSBJQBGCTQ-LIRZEXBASA-N	359.470	2.387	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](O)CC(C)(C)C3)C2)cc1	854298019	UQULKUOFULROOE-RDJZCZTQSA-N	361.486	2.466	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2[C@H]3CC[C@H]2CC2(CC2)C3)c1	862491479	KUJXHDZETXGOSZ-STQMWFEESA-N	350.440	2.311	10	10	FECE	
COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(N2CCN(C)CC2)cc1	786578172	JEFBQJSKNSBPFB-IHPCNDPISA-N	357.498	2.212	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](CO)c3cncn3C)ccc21	898883413	HXHPIOGVXNGNTE-KRWDZBQOSA-N	370.453	2.101	10	10	FECE	
O=C(Cc1ccc(Br)cc1O)NCCc1ccc(O)c(O)c1	781959257	SZCKZKLQAIKKCB-UHFFFAOYSA-N	366.211	2.467	10	10	FECE	
COCC(=O)COC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	795631297	YPCICDNCKCDPEL-UHFFFAOYSA-N	358.438	2.167	10	10	FECE	
C[C@H](C(=O)NCc1c(O)cccc1O)C1CN(C(=O)OC(C)(C)C)C1	1304053964	XYWJLGUUVHLLMV-NSHDSACASA-N	350.415	2.217	10	10	FECE	
C[C@H](C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)n1ccnc1	1319694399	SAJBWPUOSOVXPW-QGZVFWFLSA-N	367.497	2.293	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)NCC1CCC(F)CC1	1261468099	YBQYTHVBDOWFBI-UHFFFAOYSA-N	359.492	2.386	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NCc1c(O)cccc1O	1456319074	NOVMXWOFGDZIMN-CQSZACIVSA-N	350.415	2.360	10	10	FECE	
Cc1[nH]nc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1O	1464309562	MYIPHPHJPOGTQY-PHIMTYICSA-N	362.405	2.106	10	10	FECE	
C[C@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1nnc(O)n1C	1479374346	BPKXSMQVKOCPNA-LBPRGKRZSA-N	371.397	2.292	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)NCc1ccc(O)cc1O	1626838332	XAVSTZSMCSKOKC-NSHDSACASA-N	360.357	2.263	10	10	FECE	
Cc1sc2ncn(CCC(=O)NCc3ccc(O)cc3O)c(=O)c2c1C	1630302251	UPNIOVGMJLILHL-UHFFFAOYSA-N	373.434	2.193	10	10	FECE	
CCCCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1	1573159720	PBJQAOWZWWVIIX-DZGCQCFKSA-N	363.458	2.304	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)NCC2(CN=[N+]=[N-])CC2)CN(C(=O)OC(C)(C)C)C1	2124532695	LPUGKWSHFMJMKO-QWHCGFSZSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1CCCN(CC(=O)N2CC[C@H](CN=[N+]=[N-])C2)CC1	2124515104	IEHJZUAWNWUFFX-CQSZACIVSA-N	366.466	2.088	10	10	FECE	
CCc1noc(C)c1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2	160812205	IRSFFSGFQJMEBZ-UHFFFAOYSA-N	357.410	2.385	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1	2132413170	KPGKZSOXHCAWCK-JQWIXIFHSA-N	366.414	2.227	10	10	FECE	
O=C(OCc1ccccc1)N1CC(Cc2ccc(O)c(O)c2O)(C(=O)O)C1	1952064989	TWBWSFXINWBPNS-UHFFFAOYSA-N	373.361	2.069	10	10	FECE	
CC[C@@H](NCCCCS(N)(=O)=O)c1cc(Br)ccc1O	312585138	WBJMJEYMRXOVOD-GFCCVEGCSA-N	365.293	2.264	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CN(CC(=O)Nc3ccc(N)cc3)C[C@@]2(C)C1	2162947464	HPCVVNSMYNSXCM-XOBRGWDASA-N	374.485	2.396	10	10	FECE	
Oc1ccc(CNC[C@]23CN(Cc4ccccc4)C[C@H]2CCO3)c(O)c1O	2175201194	FEWYTKZABCTCEE-UTKZUKDTSA-N	370.449	2.184	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NC(=O)Nc1ccc(N)cc1	2044245935	PFPGDECMXXJJMG-ZIAGYGMSSA-N	350.419	2.073	10	10	FECE	
C[S@](=O)C1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1	2051894035	HAFHOIQNOHKIBT-VWLOTQADSA-N	365.499	2.129	10	10	FECE	
CCN(CC)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2059514120	VEWNSPSCAOJQLV-ZDUSSCGKSA-N	352.431	2.402	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060617188	KOLQMQUFFNFCJP-YNEHKIRRSA-N	353.423	2.170	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2060617637	PFCVIMMAGJYIPJ-FRRDWIJNSA-N	353.423	2.027	10	10	FECE	
C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1COC1)c1ccccc1O	2072478754	ABZUBROPVOGXJZ-NHYWBVRUSA-N	350.415	2.109	10	10	FECE	
C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1c1cc2c(cc1N)OCCO2	2106712503	PKYOPUOMRCWBET-UWVGGRQHSA-N	359.348	2.076	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])C1	2218735029	KYDHVFKUYDNTHH-XHBSWPGZSA-N	353.423	2.096	10	10	FECE	
CN(C(=O)CN1C[C@@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1)c1ccc(N)cc1	2288268236	ZVYCTOBJFCVLEH-XOBRGWDASA-N	374.485	2.078	10	10	FECE	
C[C@H](CNC(=O)C=Cc1ccc(N2CCOCC2)cc1)CC1(C)OCCO1	2297749828	DVDHRYYGIDRAAX-KRWDZBQOSA-N	374.481	2.442	10	10	FECE	
CN(C)CCOc1ccccc1CNC(=O)C=Cc1ccc(O)c(O)c1	2307996509	KWUDHPZYHLNZIP-UHFFFAOYSA-N	356.422	2.368	10	10	FECE	
CCOC(=O)[C@@]12O[C@@]1(Cc1ccc(OC)cc1)C(=O)c1ccccc1C2=O	105418489	VVQKJNGARBJVDE-LEWJYISDSA-N	366.369	2.388	10	10	FECE	
CO[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1C	187408357	OTOGRTMARKTOKC-RDTXWAMCSA-N	365.449	2.229	10	10	FECE	
Nc1ccc(NC(=O)CS(=O)(=O)c2ccccc2Br)cc1	35309136	QNIJVDKRLFQSFG-UHFFFAOYSA-N	369.240	2.444	10	10	FECE	
C[C@H](C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1)N1CC(NC(=O)OC(C)(C)C)C1	2131758095	ROVKQSXUTOJKFT-CHWSQXEVSA-N	366.466	2.275	10	10	FECE	
CC(C)[C@@H](O)CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	265866188	MYTQYVWZDSOYOC-LBTNJELSSA-N	367.465	2.255	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2cc[nH]n2)C1	554608505	BPRVGJJUEINAHH-UHFFFAOYSA-N	351.454	2.447	10	10	FECE	
Nc1cc2c(cc1N1C[C@H]3CC[C@H]1[C@@H](NC(=O)C(F)(F)F)C3)OCCO2	2163159916	GKXXNCWRWQEPSR-DLOVCJGASA-N	371.359	2.076	10	10	FECE	
CO[C@@H]1COCC[C@@H]1CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	822786013	KHCGXBFNRANNTP-SZVBFZGTSA-N	362.470	2.142	10	10	FECE	
Cn1cnc(CCCNC(=O)NCc2cc(Cl)cc(Cl)c2O)n1	827382919	SFQOVGSPKXIKBW-UHFFFAOYSA-N	358.229	2.260	10	10	FECE	
C[C@@H](NC1CC(CC(N)=O)C1)c1ccc(N2CCOCC2)cc1Cl	903261776	XUZUTYWBOOYJSC-IYXRBSQSSA-N	351.878	2.481	10	10	FECE	
COC(C)(C)[C@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	914242803	UTUJRELMZUZWHN-ZDUSSCGKSA-N	367.465	2.400	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)cc1F	846727300	SECMIIVAVHYQSD-IRXDYDNUSA-N	373.831	2.329	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCNC[C@H]1c1cccnc1	841823688	GSCIJRMOZWPQNT-IBGZPJMESA-N	353.470	2.312	10	10	FECE	
CN(C)[C@H]1C[C@@H](CNC(=O)NCc2cc(Br)ccc2O)C1	847411809	HZEUYIIXFWEVCE-GSJFWJNXSA-N	356.264	2.294	10	10	FECE	
O=C1CC[C@H](C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1	843847202	ZMWYGNFOWSZPAE-SFHVURJKSA-N	355.482	2.204	10	10	FECE	
C[C@H]1CCC[C@@H](CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)O1	852580014	DPOCTTKSEBUKCO-KXBFYZLASA-N	361.486	2.405	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCN(C(C)C)C3)C2)cc1	852186844	IPIOSNRVYIGXOV-IRXDYDNUSA-N	360.502	2.303	10	10	FECE	
C[C@H](N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(N(C)C)cc1	858489225	WSILTNCTKFZBRC-GOEBONIOSA-N	351.458	2.120	10	10	FECE	
C[C@@H](N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1cc(Cl)ccc1O	858488959	OTYBOTBVWQEAAS-DGCLKSJQSA-N	358.833	2.413	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cc4c(cc3OC)OCO4)C2)cc1	855226278	NDJWFWMDAUGGIF-CYBMUJFWSA-N	370.405	2.441	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cc(-n4cccn4)ccn3)C2)cc1	855231822	OQANVUQTQMGVDG-HNNXBMFYSA-N	363.421	2.285	10	10	FECE	
CCCC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	855231620	WXZYNSCABPZLNK-SJORKVTESA-N	373.497	2.429	10	10	FECE	
Cc1nocc1C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	867152598	JXTXRDOMQXJQIY-UHFFFAOYSA-N	354.454	2.445	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)cc1F	762186903	ILEBXKHVVHZMPA-UHFFFAOYSA-N	360.345	2.100	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CC[C@H](Nc3ncccn3)C2)c([N+](=O)[O-])c1	1118124764	JFZLBYIWGLZDGV-YVZNUBBCSA-N	369.381	2.262	10	10	FECE	
C[C@H]1CO[C@H](C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1	889835318	CVSLLJBZXFQVOG-UZLBHIALSA-N	357.498	2.260	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN(C)C3(C)CCCC3)CC2)cc1	786221855	RMUJFIYELHKBJD-LJQANCHMSA-N	361.530	2.443	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)c1	786958648	HYKUFFOUOMERKQ-RTJGBEEBSA-N	369.461	2.338	10	10	FECE	
COc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)ccc1O	797820247	NIKIKROLTKIHAM-UHFFFAOYSA-N	354.340	2.118	10	10	FECE	
COc1ccccc1/C=C1/SC(=S)N(CN2CCN(C)CC2)C1=O	1081103584	KMHWWHVJVSRVBX-RVDMUPIBSA-N	363.508	2.101	10	10	FECE	
O=C(NCc1c(O)cccc1F)c1nn(-c2ccc(F)cc2)ccc1=O	1156170076	FNNZHKMKHFLRPO-UHFFFAOYSA-N	357.316	2.146	10	10	FECE	
CCOC(=O)c1cnn2c(C(=O)NCc3cccc(Cl)c3O)ccnc12	1180410871	UATCXWRLRQJUIS-UHFFFAOYSA-N	374.784	2.195	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC2(CCCCO2)CC1	1334502330	FXRGQDGMEUYRLU-UHFFFAOYSA-N	373.497	2.239	10	10	FECE	
C[C@@H](NC(=O)C(=O)N1CCC(O)(C2CCC2)CC1)c1ccc(N(C)C)cc1	1354674336	HBQJHQCJNZDZNQ-OAHLLOKOSA-N	373.497	2.083	10	10	FECE	
C[C@H](NC(=O)N1CCC([C@H](F)C(N)=O)CC1)c1ccc(N(C)C)cc1	1519306954	AXRNPDNSDCQWHH-LRDDRELGSA-N	350.438	2.059	10	10	FECE	
CCO[C@@H]1[C@@H](C)[C@H]1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	1556946410	ISHYSZVAABGCJJ-UXEPBGEESA-N	354.397	2.089	10	10	FECE	
C=C/C=C\CCNC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1	1636994773	ASBPLFLVESPOSH-LKYDAOQMSA-N	369.465	2.149	10	10	FECE	
Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)c1ccc(N=NC(N)=O)cc1	1638268529	QIVUHUGQKCOINH-INIZCTEOSA-N	365.393	2.471	10	10	FECE	
Cc1c(C(=O)NCc2ccc(O)cc2O)nnn1Cc1ccc(F)cc1	1630302374	ZKPCGIZFKFYGSS-UHFFFAOYSA-N	356.357	2.115	10	10	FECE	
COC(=O)Cc1c(C(=O)NCc2c(O)cccc2O)[nH]c2ccccc12	1635847375	NAFOPHIJGOJWQW-UHFFFAOYSA-N	354.362	2.225	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1	1647290760	RFGWZRMPOUBMPI-JTQLQIEISA-N	362.332	2.045	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN3CCC(C)(F)CC3)CC2)cc1	1654399050	VTQSZSTZBZSGDP-SFHVURJKSA-N	365.493	2.002	10	10	FECE	
CC1(C)OC[C@H](NCc2cc(Cl)cc(Br)c2O)[C@H]1O	1910985251	JPRPVONNBZWNOR-CMPLNLGQSA-N	350.640	2.436	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C12CC(NC(=O)OC(C)(C)C)(CO1)C2	1964873323	GLWPLQKZEAAMKF-UHFFFAOYSA-N	362.426	2.177	10	10	FECE	
CCOc1cccc(/C=C2/SC(=S)N([C@H](C(=O)O)[C@H](C)O)C2=O)c1	1858596048	NGCRPCHKQMDXMZ-FFVMJPMASA-N	367.448	2.121	10	10	FECE	
O=C(Nc1ccc(-c2ccon2)cc1)C1=S=C(NC(=O)C2CC2)C=C1	1134011242	IEPFSNPAGUEGGU-UHFFFAOYSA-N	353.403	2.412	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@](C)(O)[C@H](N)c1ccccc1O	1920086215	MXCCYKGOQXVMQU-CRFBAAHOSA-N	366.458	2.169	10	10	FECE	
CN(CC[S@@](C)=O)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2	398993048	PWHUKYKIJJAVSC-RUZDIDTESA-N	367.515	2.377	10	10	FECE	
CC(C)(C)OC(=O)NC1CC(O)(CNCc2cc(F)cc(F)c2O)C1	2045142705	RVZMZHDIIZNOLN-UHFFFAOYSA-N	358.385	2.178	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])CO1	2060608747	LNHVCUFTXFKUPU-AVGNSLFASA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(C(=O)CCOc1ccc(N)cc1)C2	2106693913	FWWZSWVSFNVNAI-ORAYPTAESA-N	361.442	2.163	10	10	FECE	
COC(=O)c1cccc(N)c1N[C@H]1COCC[C@H]1NC(=O)OC(C)(C)C	2108839421	VKVRVHHGSNUJNS-KGLIPLIRSA-N	365.430	2.150	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@]2(C(=O)NCCCCN=[N+]=[N-])CO[C@H]1C2	2254831941	ROMFUPLGNBIZTM-MKBNYLNASA-N	353.423	2.265	10	10	FECE	
Cc1cc(C=C2C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(N(C)C)cc1	2296571272	QLJHZCSLUGPSDP-UHFFFAOYSA-N	366.421	2.252	10	10	FECE	
COc1cccc(N2C(=O)C(=Cc3cc(C)[nH]c3C)C(=O)NC2=S)c1	2297351486	MHVONWJHALABGZ-UHFFFAOYSA-N	355.419	2.471	10	10	FECE	
Cc1c([C@H](C)NC(=O)C=Cc2ccc(N3CCOCC3)cc2)cnn1C	2297505783	IYNFRHJPMKSVFG-HNNXBMFYSA-N	354.454	2.456	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NCc3ccc(O)cc3O)C[C@H]21	2342939845	NTOGMLQYQZDLDC-FRFSOERESA-N	364.442	2.354	10	10	FECE	
O=C(NCCCc1ccccn1)NCc1ccc(N2CCOCC2)c(F)c1	179179541	AMXIALVUMWTVBM-UHFFFAOYSA-N	372.444	2.489	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCCC[C@H](N3CCN(C)CC3)C2)c1O	182894671	PGMNWRRVHLAALR-SFHVURJKSA-N	363.477	2.336	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCN(c2ncccn2)C1	47102820	TXTGSLDCTFXMBV-KRWDZBQOSA-N	368.485	2.353	10	10	FECE	
CC(C)(C)OC(=O)NC1(CC(=O)NCc2ccccc2O)CCOCC1	1184441733	CKGBPDVOOBVXHR-UHFFFAOYSA-N	364.442	2.472	10	10	FECE	
CN(C)c1noc(C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)n1	191909375	ZEBCYZIUJLDUJI-UHFFFAOYSA-N	371.485	2.352	10	10	FECE	
C[C@@H]1CN(Cc2ccccc2)CCN1c1cc2c(cc1N)OCC(=O)N2	382703233	NZFJOCZATAYKGQ-CQSZACIVSA-N	352.438	2.310	10	10	FECE	
Nc1ccc(CCNC(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)cc1	237948251	PFMIIAFAUWYZSK-CYBMUJFWSA-N	359.376	2.259	10	10	FECE	
Cc1ccc(CN2CCC[C@@H]2CS(C)(=O)=O)c(O)c1Br	2380710603	GXLZPNSJOINKCL-GFCCVEGCSA-N	362.289	2.472	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1	808546430	MJXNDGHVPBOCBF-CQSZACIVSA-N	367.373	2.135	10	10	FECE	
CCN(CC)c1ccc(CN[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1	800308814	AWBBYPPSGRVUTF-SJLPKXTDSA-N	353.532	2.340	10	10	FECE	
CO[C@@H]1COCC[C@H]1CC(=O)NCc1cccc(Br)c1O	296965166	YKRKVWGXDKLSRJ-GXFFZTMASA-N	358.232	2.213	10	10	FECE	
CNC(=O)[C@@H]1CCCN1C(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2	651221910	GAFLUXXWYSDZMG-IBGZPJMESA-N	369.465	2.266	10	10	FECE	
CCOC(=O)C(F)(F)[C@@H](N)c1cc(Br)cc(C(=O)O)c1O	725274836	NQKLVQJOKSPOJZ-VIFPVBQESA-N	368.130	2.051	10	10	FECE	
COc1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)c(F)c1OC	901441405	AUGNUSBXWHIUNY-FMIVXFBMSA-N	352.387	2.145	10	10	FECE	
COc1ccc(N2CC[C@H](N[C@@H]3CCC[C@@H](S(C)(=O)=O)C3)C2)cc1	826846319	SQMMPRLOQIRQLZ-RVKKMQEKSA-N	352.500	2.219	10	10	FECE	
Cn1nccc1[C@H](NCc1cc([N+](=O)[O-])ccc1O)C(=O)OC(C)(C)C	830689389	KPNXJTMFGZPANJ-HNNXBMFYSA-N	362.386	2.207	10	10	FECE	
CC(C)C(=O)Nc1ccc(NC(=O)C(=O)NCc2ccccc2O)cc1	748482363	STZCYVOYNDKTQV-UHFFFAOYSA-N	355.394	2.242	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)CCc3cccs3)C2)cc1	849415702	FJQCPEVORCNXJI-CQSZACIVSA-N	366.508	2.498	10	10	FECE	
NCC(F)(F)CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	846672219	DGKPFUYRTXKWND-UHFFFAOYSA-N	363.355	2.357	10	10	FECE	
COCCOc1ccc(F)cc1S(=O)(=O)NCc1c(O)cccc1F	921452732	XRHUTLWXFDMJAH-UHFFFAOYSA-N	373.377	2.174	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CC[C@@H](N3CCOC3=O)C2)c1O	853540382	JKKANLYJCUUPSV-CQSZACIVSA-N	370.405	2.359	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](N)COC(C)C	852812300	TVZMATSLAWPTCZ-ZDUSSCGKSA-N	359.264	2.256	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCOC1CCOCC1	922914208	GQSDNCHNONEFJB-MRXNPFEDSA-N	363.502	2.487	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C)CC3(N(C)C)CCC3)C2)cc1	852452530	ZMOFRTBSEMALSO-INIZCTEOSA-N	360.502	2.400	10	10	FECE	
C[C@H](N[C@H]1CCN(c2ccc3nncn3n2)C1)c1cc(F)cc(F)c1O	858488624	IXVBZXYDFNUMBH-JQWIXIFHSA-N	360.368	2.038	10	10	FECE	
C[C@@H](O)c1ccc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)nc1	865455635	LAHSSZIIWMHOND-PBHICJAKSA-N	354.454	2.449	10	10	FECE	
COC(=O)c1c(CC(=O)N2Cc3cccc(O)c3C2)[nH]c(C(C)=O)c1C	871197962	BJABPAQERFZVAM-UHFFFAOYSA-N	356.378	2.103	10	10	FECE	
O=C(C(=O)N1CC[C@H](c2cccc(F)c2)C1)N1Cc2cccc(O)c2C1	1119004976	ICIWONQVQJYBGH-AWEZNQCLSA-N	354.381	2.390	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H]3c4c[nH]nc4CC[C@@H]3C)C2)cc1	880660619	QRGKLSRQQDWHDX-CKFHNAJUSA-N	354.454	2.479	10	10	FECE	
CN1CCN(CCCN(C)C(=O)c2cc3cc(O)c(O)cc3s2)CC1	896520117	GXINJTWGRJJUGP-UHFFFAOYSA-N	363.483	2.022	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)NC3CCCCC3)cc2)CC1	786038619	XFTCAEGMABETQR-UHFFFAOYSA-N	358.486	2.487	10	10	FECE	
O=C(CC[C@@H]1CC[C@@H](C2OCCO2)O1)NCCCSc1nccs1	896334384	MMPONKGLNUIXQU-STQMWFEESA-N	372.512	2.442	10	10	FECE	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccnnc1	798248351	ABPDVAKTMOVIPP-UHFFFAOYSA-N	356.426	2.479	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnn(C)c3SC)CC2)cc1F	790761897	ZLJAITINJOGJQR-UHFFFAOYSA-N	364.446	2.252	10	10	FECE	
CC(C)C(=O)NCCn1c(CC2CC2)nnc1N(C)Cc1ccccc1O	1302469488	AVSOANVMUUOEKM-UHFFFAOYSA-N	371.485	2.345	10	10	FECE	
Cc1ccc(C(=O)NCCOCCCO)cc1-n1c(C)cc(C=O)c1C	1330009925	UFLSDTMIPIDFOP-UHFFFAOYSA-N	358.438	2.344	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCC[C@H]2CC2(Cl)Cl)cc1	1331067993	QXRLXMMMLLXPDI-LBPRGKRZSA-N	358.269	2.069	10	10	FECE	
C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccc(N4CCN(C)CC4)cc3)CN2C1	1528846895	CJDDVCXWIAIYRK-YFVAEKQCSA-N	370.541	2.175	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCCN2C(=O)Cc3ccccc32)cc1	1603647133	VRHCNDLKTNJPIP-UHFFFAOYSA-N	351.366	2.168	10	10	FECE	
CS(=O)(=O)c1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)cn1	1629966652	YUVHWOSXUCFASO-UHFFFAOYSA-N	364.404	2.363	10	10	FECE	
O=C(CNC(=O)c1ccc(F)c(F)c1)NCc1ccc2cccnc2c1O	1557122978	MOZOTCFVUYDNSL-UHFFFAOYSA-N	371.343	2.265	10	10	FECE	
CCn1c(O)nc2cc(C(=O)NCc3cc(C)ccc3O)ccc2c1=O	1557553566	QGLQUUNUPHPAMM-UHFFFAOYSA-N	353.378	2.066	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NC1(C(=O)OCc2ccccc2)CCC1	1638748962	DHAKARDGQSYEJQ-UHFFFAOYSA-N	355.390	2.423	10	10	FECE	
COc1cc(N2CCCN(C(=O)C(C)C)CC2)c([N+](=O)[O-])cc1OC	1642214834	SHHGUILEEGZVIH-UHFFFAOYSA-N	351.403	2.307	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c(C(C)C)nnc1N1C[C@@H]2OCO[C@@H]2C1	1751431279	AFJVAOLCCUGLAK-HDICACEKSA-N	371.485	2.386	10	10	FECE	
CNC(=O)N[C@@H]1CCCN(Cc2ccc(N3CCC(OC)CC3)cc2)C1	1660148903	ZWULSVQAPWDPDM-QGZVFWFLSA-N	360.502	2.195	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1	2132402777	FGQKQELHRMIERS-MNOVXSKESA-N	366.414	2.179	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](O)(CNCc2ccc3c(c2)CCCO3)C1	1663390892	PTYSBFPULWWYRF-FQEVSTJZSA-N	362.470	2.473	10	10	FECE	
C[C@H](NCc1ccc(O)c(O)c1)C1(O)CCN(C(=O)OC(C)(C)C)CC1	1918975733	HMRWAMBHBDBVGQ-ZDUSSCGKSA-N	366.458	2.338	10	10	FECE	
COc1cccc(O)c1CNC[C@@H]1CN(C)CCN1Cc1ccccc1	850413309	AMQQMXCJIQWMRL-GOSISDBHSA-N	355.482	2.307	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3NC(=O)c1cccc(O)c1O	2169553582	ZWKNJXWALVPAHL-DPCOLVOISA-N	374.437	2.472	10	10	FECE	
CN(C)c1ccc([C@H](NN)c2cc(I)sn2)cc1	2056476449	RJZLZDDFXYENDA-LBPRGKRZSA-N	374.251	2.366	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)c1nc(=NCc2c(O)cccc2F)[nH][nH]1	2066591821	KUAZRVPRYDSMDQ-VIFPVBQESA-N	351.382	2.269	10	10	FECE	
C[C@@H](c1ccccc1O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O	2081031265	QGJUJVMLFUOEBC-GXTWGEPZSA-N	350.415	2.459	10	10	FECE	
CN(C[C@H]1CN(C(=O)Nc2ccc(N)cc2)CCO1)C(=O)OC(C)(C)C	2106697905	SIYRFBZBWDFKEP-HNNXBMFYSA-N	364.446	2.368	10	10	FECE	
CCON(CCNC(=O)OC(C)(C)C)CC(=O)N(C)c1ccc(N)cc1	2106750330	JSLNEVDQQSBSLA-UHFFFAOYSA-N	366.462	2.010	10	10	FECE	
COc1ccc(N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c(OC)c1	2219646162	YJKGIKPROHTZIF-QWHCGFSZSA-N	352.431	2.168	10	10	FECE	
CCN1C(=O)C(=Cc2ccc(OS(C)(=O)=O)c(OC)c2)SC1=S	2297499956	ANRKGYDFSHCCAF-UHFFFAOYSA-N	373.477	2.255	10	10	FECE	
CCOc1cc(N2CCOCC2)c(OCC)cc1N=NN1CCNCC1	2330189097	BDFGZFUJUKUHLY-UHFFFAOYSA-N	363.462	2.225	10	10	FECE	
C[C@@H](NCCN1CCOC(C)(C)C1)c1ccc(N2CCC(O)CC2)cc1	178759591	WHYXQXOICAPHQN-QGZVFWFLSA-N	361.530	2.409	10	10	FECE	
Cc1ccccc1N1C(=O)/C(=C/Nc2cccc(O)c2)C(=O)NC1=S	103774113	IKDQNAYZAAWQOW-GXDHUFHOSA-N	353.403	2.444	10	10	FECE	
Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3c(C)nn(C)c3C)C2=O)cc1C	59858263	IHOTVIKUGZYTIB-DHDCSXOGSA-N	367.409	2.233	10	10	FECE	
O=C1C[C@@H](c2ccccc2Cl)N=C(NC(=O)c2ccc3c(c2)OCO3)N1	20924931	JOICCPDKQIWMAC-ZDUSSCGKSA-N	371.780	2.416	10	10	FECE	
CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cc(F)ccc1O	179883913	PDDKSCFXPHFTLB-UHFFFAOYSA-N	373.428	2.438	10	10	FECE	
CCN(Cc1ccccc1)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O	301193425	YPGLPRIZXGYDDH-OAHLLOKOSA-N	358.394	2.325	10	10	FECE	
C[C@@]1(C(=O)NCCc2ccc(O)c(O)c2)CCCN1C(=O)c1ccccc1	122182516	LPQNCRHYPAPSKC-NRFANRHFSA-N	368.433	2.451	10	10	FECE	
CN1CC2(CCN(C3CCN(c4ccc5c(c4)OCO5)CC3)CC2)OC1=O	72431060	VFPNXLSODQRMIO-UHFFFAOYSA-N	373.453	2.301	10	10	FECE	
COc1cccc(CCNC(=O)CN2CCOc3cc(N(C)C)ccc32)c1	181128728	SJTGDBJZSFFDFQ-UHFFFAOYSA-N	369.465	2.319	10	10	FECE	
CN1C(=O)C[C@H](C(=O)NCc2ccc(O)c(O)c2)[C@@H]1c1ccc(F)cc1	182516517	MZYFBDGCKHIITF-KSSFIOAISA-N	358.369	2.073	10	10	FECE	
COC(=O)/C=C\c1ccc(N(C)C[C@H]2CCN(C(C)=O)C2)c([N+](=O)[O-])c1	255365372	OCGGTWWQASEMIO-ZQMJAJRESA-N	361.398	2.086	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCc3ccccc3C2)c1	271179032	CBHNBMNDRNQBRD-AWEZNQCLSA-N	360.435	2.051	10	10	FECE	
O=S(=O)(C1CC1)N1CCCN(Cc2c(O)ccc(Cl)c2F)CC1	370162227	OMADZUQCWILNAG-UHFFFAOYSA-N	362.854	2.185	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)c1O	375716517	CGFMLNWKVYPISS-BPLDGKMQSA-N	352.387	2.077	10	10	FECE	
CN(C)c1ccc(C=CC(=O)N=c2nc(Br)[nH]s2)cc1	2166383227	BUXYWQSMYSBKST-UHFFFAOYSA-N	353.245	2.440	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(CCCC(=O)Nc3ccc(N)cc3)C[C@@H]21	2164055516	URVRJSIQZOVONP-ALXJQNPVSA-N	374.485	2.442	10	10	FECE	
Cc1csc([C@@H](C)NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)n1	803665221	ZLIBGHXECRZRSA-LLVKDONJSA-N	364.446	2.150	10	10	FECE	
CCN(CC)CCS(=O)(=O)NCc1cc(Cl)cc(Cl)c1O	810080426	XEUZLPYEDUOSGU-UHFFFAOYSA-N	355.287	2.460	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(CCc2ccc(N)cc2)C1	2132280889	LOXRIBGMGRCYLP-HZPDHXFCSA-N	363.458	2.254	10	10	FECE	
O=Cc1c(Br)nc2n1CCO/C2=C\c1cnn(CC(F)F)c1	901574844	IRWKTBILPFVVGY-KMKOMSMNSA-N	373.157	2.448	10	10	FECE	
Cc1cnc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c(O)c1	837711341	ZSALTGRJZHLYIT-UHFFFAOYSA-N	363.364	2.140	10	10	FECE	
COC(=O)c1cn([C@H]2CCCN(C/C=C/c3ccc(N(C)C)cc3)C2)nn1	835047718	VBRADESNONWRID-JXTAAOLFSA-N	369.469	2.481	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)NCc3c(O)cccc3F)cn2)CCO1	914036262	ZDCSKEPMSCKHSL-CYBMUJFWSA-N	374.416	2.151	10	10	FECE	
O=C(NCc1cc(Cl)ccc1O)c1ccc(CN2CCOCC2)cn1	846473643	NQLQWKMQZDMQRD-UHFFFAOYSA-N	361.829	2.203	10	10	FECE	
C[C@H]1CN([C@H](C)CNC(=O)NCc2ccc3c(c2)CCCN3C)C[C@@H](C)O1	847303957	WTSLJZUNEGDSGK-ZACQAIPSSA-N	374.529	2.366	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@H](C1CC1)[C@H]1CCCCO1)c1ccc(N(C)C)cc1	848933426	AMVBWVHUKUPAMR-GDIGMMSISA-N	373.497	2.394	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H](C)[C@@H]3CCO)C2)cc1	854297792	XBZMVCWCFVTRRS-BXWFABGCSA-N	361.486	2.466	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](O)c3cccc(F)c3)C2)cc1	852454682	PWZDCYQBLIBLCB-APWZRJJASA-N	373.428	2.446	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cc(Br)n[nH]3)C2)cc1	855226868	TXLRADWYGRSNNX-SNVBAGLBSA-N	365.231	2.190	10	10	FECE	
COC[C@]1(C(=O)OC)CCCN1Cc1cc(Cl)cc(C(C)=O)c1O	852632696	DYIBKTGORYQTJW-KRWDZBQOSA-N	355.818	2.402	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC1CS(=O)(=O)C1	864638271	WJTFELVJAAUJCT-UHFFFAOYSA-N	350.484	2.070	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC[C@]2(O)CCOC2)c1	862128492	HGWWWVZFJLWRBC-FQEVSTJZSA-N	356.422	2.178	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)C1CCN(c2cnccn2)CC1	862028746	JLXDXQPBKHDRQG-UHFFFAOYSA-N	363.421	2.263	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H](C)c3ccnn3C)CC2)cc1F	869182055	VHUDTWAJGFXSRD-CYBMUJFWSA-N	361.421	2.161	10	10	FECE	
O=C(Nc1ccc(C(=O)Nc2nc3cnccc3[nH]2)cc1)C1=S=CC=C1	760691291	CFXTWODGEJKFKX-UHFFFAOYSA-N	363.402	2.426	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCCc2ccns2)cc1	1119570763	IEYRTQXEBRDMAF-UHFFFAOYSA-N	374.510	2.307	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3cnc(C4CC4)nc3)cc2)CC1	881853351	SHOUSVOANQJBJA-UHFFFAOYSA-N	351.454	2.036	10	10	FECE	
COc1ccc(NC(=S)NCc2ncccc2S(C)(=O)=O)cc1F	782426674	BJQVBLMKYTXQTD-UHFFFAOYSA-N	369.443	2.119	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3CCC(=O)c4cccn43)CC2)cc1	788719467	FGFWCVSWRANELS-GOSISDBHSA-N	353.422	2.363	10	10	FECE	
c1nc2cncc(NCc3ccc(N4CCN(CC5CC5)CC4)cc3)n2n1	782967459	SNIKTXMMRIQKEY-UHFFFAOYSA-N	363.469	2.268	10	10	FECE	
CC(C)(C)OC(=O)NCCCn1ccc(C(=O)NCc2ccccc2O)n1	1137471671	VSMPSPCZYINAEA-UHFFFAOYSA-N	374.441	2.434	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C[C@H](CO)C1	1879576828	OOTGSOYVXLQVBU-GDZNZVCISA-N	367.450	2.344	10	10	FECE	
O=C(NCc1c(O)cccc1F)c1cnn2cc(Br)cnc12	1156170560	PXFKNGUMTIEDEJ-UHFFFAOYSA-N	365.162	2.267	10	10	FECE	
Cc1cc(CC(=O)N2CCO[C@@H](CC(=O)O)C2)c(C)n1-c1ccccc1	1328763598	UVVUBBVHECBDGP-SFHVURJKSA-N	356.422	2.339	10	10	FECE	
CC(=O)N1Cc2ccc(NS(=O)(=O)c3cccc4nsnc34)cc2C1	1323598373	SVHTUOYUTSIUFG-UHFFFAOYSA-N	374.447	2.354	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(F)cc(F)c1N	1469230399	JGBAQBUDIOCQII-UHFFFAOYSA-N	364.348	2.458	10	10	FECE	
COc1ccc(CNCC2(CCO)CN(C(=O)OC(C)(C)C)C2)c(O)c1	2119202627	LFEAAQQRUFWYQI-UHFFFAOYSA-N	366.458	2.110	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(O)c(O)c1	1556078516	QHWQLUHKFSIQHK-GFCCVEGCSA-N	350.415	2.108	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	2124298940	NCAWDJJXDLJAJX-KBPBESRZSA-N	364.442	2.307	10	10	FECE	
C[C@H](NC(=O)NCc1cc(S(C)(=O)=O)ccc1F)c1ccccc1O	1681771638	YBKLUJIANRXWRA-NSHDSACASA-N	366.414	2.495	10	10	FECE	
COc1ccc(N2CCCN(C(=O)Nc3cnc(N(C)C)nc3)CC2)cc1	155089846	SAVOQZCMWVSIIL-UHFFFAOYSA-N	370.457	2.295	10	10	FECE	
Cc1ccc(C)c(N2C[C@@H](C(=O)NCCc3ccc(O)c(O)c3)CC2=O)c1	1860314838	YIOHJOVRNPGGGL-INIZCTEOSA-N	368.433	2.426	10	10	FECE	
CN(C)c1ccc([C@H](NC(=O)CC(=O)C(F)(F)F)c2nccn2C)cc1	1866058104	BBYRXVALPRUFJI-HNNXBMFYSA-N	368.359	2.213	10	10	FECE	
CCS(=O)(=O)[C@H]1CCN(c2ccc([C@H](C)N)cc2Br)C1	2179894259	PTYJNTWPJYCQRV-JQWIXIFHSA-N	361.305	2.482	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCC(=O)c3ccccc32)=C[C@@H]1O	2188019716	HYUFUICFNDDLSN-PBHICJAKSA-N	372.421	2.190	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)N1CC[C@@H](N=[N+]=[N-])C1	2060636766	BIKBTAWZBAUPFP-FRRDWIJNSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2COCC[C@]2(C(=O)NCCCN=[N+]=[N-])C1	2060616874	GOUVQSJYTQJFMG-WBMJQRKESA-N	353.423	2.077	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2060634460	ZUJVKRXSHAAFNO-MLGOLLRUSA-N	353.423	2.050	10	10	FECE	
CN(CCc1ccc(N)cc1)CCN1CCN(C(=O)OC(C)(C)C)CC1	2106673151	ZJQLNUDUTHNAEK-UHFFFAOYSA-N	362.518	2.296	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CNCC[C@H]1COC[C@H]1O	2111336902	RAAIPYHQONWCAG-QPUJVOFHSA-N	350.640	2.295	10	10	FECE	
CN(CCOC(F)F)c1cc2c(cc1Br)[C@@H](O)C(=O)N2	2202947217	JEEDXXBNMDQXPJ-SNVBAGLBSA-N	351.147	2.110	10	10	FECE	
CC(C)(C)OC(=O)NC12COC(C(=O)N[C@@H]3CCC[C@H]3N=[N+]=[N-])(C1)C2	2254811953	TZJLHVHCNYMGLN-CHISNJGVSA-N	351.407	2.160	10	10	FECE	
CCOc1cc(C=C2SC(=S)N(CC)C2=O)ccc1OCC(N)=O	2295450073	XHBWOIRGGQWSGH-UHFFFAOYSA-N	366.464	2.171	10	10	FECE	
COc1cc(C=C2SC(=S)N(C)C2=O)ccc1O[C@H](C)C(=O)O	2314930918	AZJFESGJMDZAFH-MRVPVSSYSA-N	353.421	2.378	10	10	FECE	
C[C@H](CC(=O)N1CCc2cc(O)c(O)cc2C1)NC(=O)OC(C)(C)C	2318659445	DCCLORSQEHJUPB-LLVKDONJSA-N	350.415	2.286	10	10	FECE	
COc1ccc(N2CCN(CN3C(=O)C[C@](C)(C(C)C)C3=O)CC2)cc1	172326012	HTAKMMULYAVENH-HXUWFJFHSA-N	359.470	2.196	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@@H]23)c1	246225786	DOGWBWHHWOAPOJ-YXJHDRRASA-N	372.446	2.079	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccnc(-n4cccn4)c3)CC2)cc1	265690931	GGQOURRPQDGPOV-UHFFFAOYSA-N	363.421	2.238	10	10	FECE	
O=C1COC[C@@H](C[C@H]2CN(C(=O)c3cc(O)cs3)c3ccccc32)N1	807800591	JIEHVODBJPIVTK-NWDGAFQWSA-N	358.419	2.103	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CNC3CCC4(CC3)CC4)CC2)cc1	819265418	OVUHCNSLNXMXTP-FQEVSTJZSA-N	373.541	2.491	10	10	FECE	
CO[C@@H](CS(=O)(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C1CC1	827695108	QDOJUWATZMJISN-KDOFPFPSSA-N	354.516	2.336	10	10	FECE	
O=S1(=O)CCN(c2ccc(CNCc3ccc4c[nH]nc4c3)cc2)CC1	733330802	OANYKDQYWWCXSY-UHFFFAOYSA-N	370.478	2.088	10	10	FECE	
CN(C)c1ccc(/C=C\CNC[C@@H]2CCCCN2S(C)(=O)=O)cc1	835052838	HWNRFORQZZHOOI-MJRGOJFPSA-N	351.516	2.170	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCc3ccc(S(N)(=O)=O)cc32)cc1	835047135	PCOQVXQWVGZQGW-ARJAWSKDSA-N	357.479	2.476	10	10	FECE	
CN(C(=O)c1cc2cc(O)c(O)cc2s1)C(C)(C)CN1CCOCC1	910573099	OEJKHCPUUPVSOR-UHFFFAOYSA-N	364.467	2.495	10	10	FECE	
CC(C)N(CCn1nc2ccccn2c1=O)Cc1ccc(N(C)C)cc1	917075567	ZZAAXBDOJSWDES-UHFFFAOYSA-N	353.470	2.473	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1	831930536	DQVBHGFVUCGOLF-MJXNMMHHSA-N	357.406	2.302	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccccc3O)cn2)C[C@@H](C)O1	748461556	ZUODYEOHGCBEDH-HUUCEWRRSA-N	370.453	2.400	10	10	FECE	
Cc1ccc(CS(=O)(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)cc1C	842785002	JXHHMDMNQNLENF-LJQANCHMSA-N	361.511	2.489	10	10	FECE	
CC(C)[C@H](C)NC(=O)C1CCN(C(=O)NCCc2ccc(N)cc2)CC1	841957080	NEZGVKJYVPLLRI-HNNXBMFYSA-N	360.502	2.394	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)C2)cc1	855232862	VIFRMHSTJXGEPF-LBPRGKRZSA-N	374.372	2.333	10	10	FECE	
Cc1cc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)c(C)n1-c1ccc(F)cc1	852954372	XLWDYHDKTDTVEU-JLTOFOAXSA-N	372.396	2.406	10	10	FECE	
Cc1cc(CC(=O)NCCCc2nc(O)n[nH]2)c(C)n1-c1ccccc1	857142302	KBJVSSHSEWFBLR-UHFFFAOYSA-N	353.426	2.209	10	10	FECE	
C[C@H](NC(=O)N[C@@H]1C[C@@H](O)C12CCC2)c1ccc(N2CCOCC2)cc1	853487366	NQYFYVSIRUTNIU-BMGDILEWSA-N	359.470	2.187	10	10	FECE	
CN(C)c1ccc(CN2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)cc1	853248690	IPKOYELRHRGPSC-GOSISDBHSA-N	368.529	2.265	10	10	FECE	
COCCN(CC(F)F)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	852452975	HYECOAAYBGFYCE-CYBMUJFWSA-N	357.401	2.197	10	10	FECE	
Cc1cc(C(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)c(C)n1-c1ccccn1	855700419	OQKKUTBQJWXSPV-HIFRSBDPSA-N	361.467	2.185	10	10	FECE	
COC(=O)C[C@H]1CCCN1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	852455606	UXYDKFKVJSWKML-GDBMZVCRSA-N	361.442	2.011	10	10	FECE	
Cc1ccc(O)c(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)c1	862757203	LDXQDVLIHJJGAR-MRXNPFEDSA-N	354.406	2.327	10	10	FECE	
Cn1cc(/C=C/C(=O)N2C[C@H](C(C)(C)C)c3ccccc32)c(=O)n(C)c1=O	768109348	YAMJPMDCFILVLH-OFAQMXQXSA-N	367.449	2.274	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cc3ccc([S@](C)=O)cc3)CC2)cc1	797789339	FPPZTRPHDRMVQW-SANMLTNESA-N	372.490	2.324	10	10	FECE	
CCCNC(=O)Cn1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C	1313500621	SSLHRKNSGRXRQP-UHFFFAOYSA-N	359.474	2.444	10	10	FECE	
CC(C)Cn1nc(C(=O)NCc2cc(O)ccc2O)c2ccccc2c1=O	1176748386	QVSOENGKGJRUKD-UHFFFAOYSA-N	367.405	2.394	10	10	FECE	
COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccccc1O	881440648	JUFWAPPNVOGYMI-TZMCWYRMSA-N	352.431	2.499	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)NCc1c(O)cccc1O	1456232967	CUQPDRSOPSNNRP-JTQLQIEISA-N	360.357	2.263	10	10	FECE	
COc1cc(C(=O)NCCc2ccc(O)c(O)c2)c([N+](=O)[O-])cc1F	1631510868	ZUXGGIWLGLIDBU-UHFFFAOYSA-N	350.302	2.126	10	10	FECE	
COc1cccc(-n2cc(C(=O)N[C@H](C)c3cc(OC)ccc3O)nn2)c1	1630365657	CBSWUZIUJAXJDI-GFCCVEGCSA-N	368.393	2.481	10	10	FECE	
Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CCC(N=[N+]=[N-])CC2)cn1	2124532930	AJJANZQIXJRGMJ-CYBMUJFWSA-N	363.422	2.287	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1ccn(-c2ccccc2[N+](=O)[O-])n1	1597575169	ZRCVYOBKBOIFHW-UHFFFAOYSA-N	354.322	2.122	10	10	FECE	
CO[C@@H]1[C@H](C)[C@@H](NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1(C)C	1679440550	LTHSMSYVWCGCCF-ATZDWAIDSA-N	374.529	2.297	10	10	FECE	
CCO[C@H](CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)CN(C)C	1686826459	IRJMHHLWCKUTQD-QFBILLFUSA-N	364.534	2.258	10	10	FECE	
COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCC(=O)O	16912077	CNRWCYYOEZNDDB-XYOKQWHBSA-N	353.421	2.380	10	10	FECE	
COc1cc(Br)cc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)c1O	159533987	PUTMESBZBLWACS-UWVGGRQHSA-N	357.248	2.249	10	10	FECE	
COc1ccc(N2CCO[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)c(N)c1	2129067880	NFKWGNXPGJAEBW-IRXDYDNUSA-N	363.458	2.492	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(CCOCCOc2ccc(N)cc2)CC1	1903364387	VAZDCERCTVGTAE-UHFFFAOYSA-N	365.474	2.217	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]2COC[C@@H](C1)N2c1ccc(CN)c(F)c1	2139756726	YPASVWLUJQAHQH-JKSUJKDBSA-N	365.449	2.499	10	10	FECE	
Nc1ccc(OCC(=O)N[C@@H]2CC[C@H]2NC(=O)OCc2ccccc2)cc1	1999146388	KFZVPMYTXJNCML-QZTJIDSGSA-N	369.421	2.221	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3cccc(O)c3O)C[C@H]21	280460857	MEEKAPVRLXBRBG-MRVWCRGKSA-N	362.426	2.473	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)Cc2ccc(N)cc2)[C@@H](F)C1	2044211598	GASBSOXFEANTPJ-GJZGRUSLSA-N	351.422	2.275	10	10	FECE	
C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)c1c(O)cccc1O	2052721874	PXZDOFQBIHHVNB-SLEUVZQESA-N	352.431	2.119	10	10	FECE	
COCC1(CNCc2cccc(O)c2O)CN(C(=O)OC(C)(C)C)C1	2057846395	OTGQBYKLYAPLPP-UHFFFAOYSA-N	352.431	2.071	10	10	FECE	
CC(C)(C)OC(=O)NCc1nocc1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2060621944	TYSBRCFKCIUTKL-SNVBAGLBSA-N	350.379	2.472	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)c1cnc(CNC(=O)OC(C)(C)C)n1C	2060638109	SFHFAMWSAMOUQJ-UHFFFAOYSA-N	351.411	2.217	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(C)(C)C	2072687763	HNJBYIQPHQBRGJ-RYUDHWBXSA-N	357.455	2.446	10	10	FECE	
CC(C)(C)OC(=O)NC[C@](C)(NC(=O)COc1ccc(N)cc1)C1CC1	2106240392	YABHDXCNLSQNFG-IBGZPJMESA-N	363.458	2.457	10	10	FECE	
CNC(=O)c1cncc(C=CC(=O)N2C[C@@H](C)C(=O)Nc3ccccc32)c1	2297665984	ICDBXLDHZHCSCS-CYBMUJFWSA-N	364.405	2.076	10	10	FECE	
CCCOc1ccccc1C=CC(=O)NCCN1C(=O)CSC1=S	2320752728	XXXLKGKGUODRMG-UHFFFAOYSA-N	364.492	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](CNCc2cc(F)ccc2O)N2CC[C@H]1C2	2342845044	DAGYDSROFLJOSE-HOTGVXAUSA-N	365.449	2.315	10	10	FECE	
CCOC(=O)CN1C(=O)/C(=C2\C(=O)Nc3c(C)cccc32)SC1=S	1810136	DKFLHBJALCVYSF-ACCUITESSA-N	362.432	2.082	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC[C@H](Cn3cncn3)C2)c([N+](=O)[O-])c1	108847029	UVCZEUDLUGCMMK-ZKKXHLJNSA-N	371.397	2.289	10	10	FECE	
COC(=O)[C@H](CO)NC(=O)/C=C/c1cc(C)n(-c2ccc(C)cc2)c1C	177933874	KJPHCXRAZACTEO-HKMNZKMDSA-N	356.422	2.066	10	10	FECE	
COc1ccc(CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c(O)c1	119403230	LHTJAJUXUBDXEP-UHFFFAOYSA-N	373.428	2.296	10	10	FECE	
C[C@@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCCC1	184658274	PRCBLEKMFRGFPN-OAHLLOKOSA-N	363.477	2.447	10	10	FECE	
CCCN[C@@H]1C(=O)Nc2cc(N3CCOCC3)c(Br)cc21	92774747	CFGYEYMRSMTMNG-AWEZNQCLSA-N	354.248	2.279	10	10	FECE	
Cc1ccc(-n2c(C)cc(/C=C\C(=O)N3CCOC[C@@H]3C(N)=O)c2C)cc1	254982320	XMLPTPWAMDWNOJ-WMHRWZGDSA-N	367.449	2.128	10	10	FECE	
COc1ccc(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)c(O)c1	373704126	AXPPKHMVUKUTIA-QFBILLFUSA-N	372.396	2.376	10	10	FECE	
CN(C)C(=O)N1CCC(NCc2cc(Br)ccc2O)CC1	809712484	OTMICKDIVUOTQD-UHFFFAOYSA-N	356.264	2.390	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1CCC(=O)Nc1ccc(N)cc1	2162934618	RLJAEMPEKVCSCR-FZMZJTMJSA-N	372.391	2.129	10	10	FECE	
C[C@H](CO[C@@H]1CCOC1)NC(=O)NCc1cc(Br)ccc1O	805191724	PKQIAMASZAUJGE-ZWNOBZJWSA-N	373.247	2.148	10	10	FECE	
NC(=O)CN1C(=O)/C(=C/c2csc(-c3ccccc3)n2)SC1=S	727175349	AHGBNZAQKQGMFU-WDZFZDKYSA-N	361.473	2.497	10	10	FECE	
COC(=O)C(C)(C)n1ccc(NC(=O)NCc2ccc(N(C)C)cc2C)n1	825375487	NEEBOBVDMZZLRB-UHFFFAOYSA-N	373.457	2.487	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)CCCSC)CC2)cc1	736073012	ZDLBFNYXEWPVOS-UHFFFAOYSA-N	351.516	2.077	10	10	FECE	
C[C@H]1CN(C(=O)C(=O)NCCc2ccc(N)cc2)CCc2ccccc21	846345851	ZHFKSZYUMMLLJB-HNNXBMFYSA-N	351.450	2.116	10	10	FECE	
COCc1cc(O)ccc1NS(=O)(=O)c1cccc2c1OCCO2	840915323	OVAYSGMGOINWDX-UHFFFAOYSA-N	351.380	2.111	10	10	FECE	
CC1(C)CN(C(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)CCO1	929969798	DCRXDBBOUMBIOL-KRWDZBQOSA-N	362.470	2.011	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@]1(O)C[C@H]2C=C[C@H]1C2	853436400	WNTXWGNRYKBSCD-ABSDTBQOSA-N	373.522	2.366	10	10	FECE	
Cc1cc(CC(=O)N[C@H]2CCc3nnnn3CC2)c(C)n1-c1ccccc1	854970314	RQFWKCAHLPIPKV-KRWDZBQOSA-N	364.453	2.144	10	10	FECE	
CCn1cc(CN(C)C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cn1	854300997	FYZSJPKNPLCIIJ-MRXNPFEDSA-N	357.458	2.332	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCCC[C@H]3[C@@H](C)CO)C2)cc1	854297335	QGSVZCXMQXWAPC-BXWFABGCSA-N	361.486	2.466	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCOCC4(CCC4)C3)C2)cc1	854299805	RRZGUZQBAGJYEW-MRXNPFEDSA-N	359.470	2.486	10	10	FECE	
OC[C@@H]1COc2ccccc2[C@@H]1NCc1ccc(N2CCOCC2)cc1	934210829	YODJEACITZDDTA-DYESRHJHSA-N	354.450	2.355	10	10	FECE	
CN1CCC[C@@H]1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	761981841	IPFJTNQWXKNTPE-JKSUJKDBSA-N	351.878	2.220	10	10	FECE	
Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)NCc1ccc(N(C)C)cc1	772422318	FHSLGAIRWTVKMY-GOSISDBHSA-N	371.485	2.386	10	10	FECE	
O=C(COC(=O)c1nc(Br)cs1)c1ccc(O)c(O)c1	784922930	PAQYOGRGRDQEAM-UHFFFAOYSA-N	358.169	2.357	10	10	FECE	
CC1CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1	788197006	YHXMGUAWTKGWPV-UHFFFAOYSA-N	352.437	2.346	10	10	FECE	
CN(C)CCSc1nc(CC(=O)NCc2ccc(O)c(O)c2)cs1	1137443358	MNQXDNKZMLVSTR-UHFFFAOYSA-N	367.496	2.067	10	10	FECE	
COC(=O)CN(CC[S@](=O)C(F)(F)F)Cc1cc(Cl)ccc1O	1307539597	PCCPRZONVBBIPH-QHCPKHFHSA-N	373.780	2.289	10	10	FECE	
C[C@@H]1CSC[C@@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1312669516	QYDRPERFEZYFED-COXVUDFISA-N	350.532	2.406	10	10	FECE	
COc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1N1CCOC1=O	1182832274	HMRKRRHSKDIRES-UHFFFAOYSA-N	362.313	2.454	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCc1cc(C)[nH]n1	1446816462	OJZOUPZUCQVWFB-UHFFFAOYSA-N	365.817	2.212	10	10	FECE	
COc1cccc(CNC[C@@H]2C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)c1O	2116205706	MWOCMOFFBRQRJA-QEJZJMRPSA-N	366.458	2.155	10	10	FECE	
COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)Cc1ccc(O)c(O)c1	1463798883	JMCFTCXWTHLKLS-AWEZNQCLSA-N	357.406	2.478	10	10	FECE	
Cc1cc(NC(=O)c2ccc(C)c(O)c2O)ccc1S(=O)(=O)N(C)C	1472094310	SCVBMSZKFDKNSJ-UHFFFAOYSA-N	364.423	2.217	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H](c2ccncc2)C2CC2)c1	1558716670	HKOJQTQMEBONBE-INIZCTEOSA-N	361.423	2.040	10	10	FECE	
O=C(N[C@@H]1CC(=O)N(c2ccccc2F)C1)N1Cc2cccc(O)c2C1	1564830138	BLQVMEYCZQKXSX-CYBMUJFWSA-N	355.369	2.362	10	10	FECE	
Cc1cc(N2C[C@H](C(=O)NCc3cc(O)ccc3O)CC2=O)ccc1F	1643881777	FEUXJEPTHGLNLN-CYBMUJFWSA-N	358.369	2.215	10	10	FECE	
Cc1cc(CNC(=O)[C@@H]2CCc3nnc(O)n3C2)c(C)n1-c1ccccc1	1648612218	YKHKSLQACLMQTC-OAHLLOKOSA-N	365.437	2.270	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCCC[C@H](CN=[N+]=[N-])C2)C1	2126930287	FMYJBEDCBDSBDE-CXAGYDPISA-N	367.450	2.297	10	10	FECE	
CCN(CCO)C(=O)CN1C(=O)/C(=C/c2ccccc2C)SC1=S	16921598	YNJYHKBQFUJWOS-UVTDQMKNSA-N	364.492	2.037	10	10	FECE	
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)NCCCN1CCOCC1	19920885	VZSNWXDRSJKKIM-NBVRZTHBSA-N	360.433	2.134	10	10	FECE	
C[C@@H](N=c1nc(C2CN(C(=O)OC(C)(C)C)C2)[nH][nH]1)c1ccccc1O	2127693040	MRVQKIHCLOMSFH-LLVKDONJSA-N	359.430	2.440	10	10	FECE	
C[C@H](c1ccccn1)N1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	155782028	PCSROAPNLAZUGQ-PMGBHYCQSA-N	353.422	2.411	10	10	FECE	
COC(=O)c1c(NC(=O)[C@@H](N)CO)sc(C)c1-c1ccc(C)c(C)c1	1865952082	MHKURKRFFMZWLE-ZDUSSCGKSA-N	362.451	2.385	10	10	FECE	
COc1cc2[nH]cc(C(=O)Nc3ccc(N)cc3)c(=O)c2c(OC)c1OC	1866459413	XNUFZKFLOXPNTB-UHFFFAOYSA-N	369.377	2.388	10	10	FECE	
O=C(CNCc1cc(Cl)ccc1O)Nc1nnc([C@H]2CCCO2)s1	1857856281	PMXMCQIIMQXNNH-GFCCVEGCSA-N	368.846	2.477	10	10	FECE	
O=S1(=O)[C@H]2CC[C@H]1CN(Cc1cccc(Br)c1O)CC2	529678936	YVDCMGNFYYWZJJ-RYUDHWBXSA-N	360.273	2.306	10	10	FECE	
CN(C(=O)CN1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1)c1ccc(N)cc1	705901212	XKPQEQRPSNVKAM-RTBURBONSA-N	364.493	2.295	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)NCc2ccccc2O)C1	866755556	MMFKJSMKYZVZHX-SFHVURJKSA-N	350.415	2.034	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)Nc2ccc(N)cc2)C1	2044244960	BTSQHIVCBZRHMS-CQSZACIVSA-N	350.419	2.026	10	10	FECE	
CN([C@@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)Cc1ccc(N)cc1	2044645255	ZKKPSVRXXRQCIR-OAHLLOKOSA-N	369.487	2.040	10	10	FECE	
C[C@H]1CN(C(=O)c2ccc(O)c(O)c2)CC[C@@H]1NC(=O)OC(C)(C)C	2054413172	LJARPGPRSXIDGJ-AAEUAGOBSA-N	350.415	2.473	10	10	FECE	
CO[C@H](C)[C@H](CC(=O)NCc1ccccc1O)NC(=O)OC(C)(C)C	2060048434	LTDVUOOUVHAQFC-OCCSQVGLSA-N	352.431	2.327	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CCO[C@@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2060614655	FSQYRHFTXGUXTA-NEPJUHHUSA-N	353.423	2.123	10	10	FECE	
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2060636050	STGKYSVIJSTVAZ-RYUDHWBXSA-N	353.423	2.218	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)OC1	2253765542	ICYHEKUNHGJIHQ-OLZOCXBDSA-N	355.439	2.465	10	10	FECE	
CC(=O)NCCCN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S	2323887718	VKQWCPJLQYQPRJ-UHFFFAOYSA-N	365.436	2.322	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)N3CCC[C@H](N=[N+]=[N-])C3)CO[C@H]1C2	2334182827	COBHLXSPUZIEEB-PFHKOEEOSA-N	365.434	2.360	10	10	FECE	
COc1ccc(N2CCC(Nc3nc(N)c4cnn(C)c4n3)CC2)cc1	302546507	IXZHMZXZKGQEHS-UHFFFAOYSA-N	353.430	2.035	10	10	FECE	
CC[C@@H](NCCN1CCN(C)CC1)c1cc(Br)ccc1O	37759746	UMRZZTHVYYAIIO-OAHLLOKOSA-N	356.308	2.443	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@@H]3[C@H]5O)CC2)cc1	249556222	LYDRUDCVENBPBG-NHQIJDEQSA-N	371.481	2.075	10	10	FECE	
COC(=O)[C@H](CO)NC(=O)/C=C\c1cc(C)n(-c2ccc(C)cc2)c1C	255318756	KJPHCXRAZACTEO-VOCYLRNQSA-N	356.422	2.066	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N1CCCN(C2CC2)CC1	255035004	SPOYBGWIUIOXKK-WTKPLQERSA-N	355.482	2.233	10	10	FECE	
C[C@H](c1nnc2n1CCCCC2)N1C(=O)CN(Cc2ccccc2O)C1=O	819170746	NWYGJMZOYJRJSY-CYBMUJFWSA-N	369.425	2.236	10	10	FECE	
Cn1ncc(C(F)(F)F)c1C(=O)NCc1ccc(N2CCOCC2)cc1	823291974	KQRGEUGFNLYFAP-UHFFFAOYSA-N	368.359	2.206	10	10	FECE	
COc1ccc(N2CC[C@H](NCCN3C(=O)c4ccccc4C3=O)C2)cc1	826846548	VXLVJBYMKXECML-HNNXBMFYSA-N	365.433	2.160	10	10	FECE	
CCC(C)(C)C(=O)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	909855597	HSKBBPCNBCHYCF-UHFFFAOYSA-N	354.397	2.423	10	10	FECE	
CN(C)C(=O)N[C@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1	909402819	LCENNRZQUFHMLY-NSHDSACASA-N	363.439	2.188	10	10	FECE	
Cc1cc(C(=O)CN2CCC[C@@H]2CO)c(C)n1-c1ccc2c(c1)OCO2	749835224	FCJGTYMNNQHGOS-MRXNPFEDSA-N	356.422	2.462	10	10	FECE	
CCS(=O)(=O)CCN[C@H](C)c1cc(Br)cc(OC)c1O	848524716	LLSPJVZCQMUNHR-SECBINFHSA-N	366.277	2.249	10	10	FECE	
COc1cc(Br)cc(CN2C[C@@H](C)N(CCO)C[C@H]2C)c1O	841892039	SAFFZOWGEXJDAH-VXGBXAGGSA-N	373.291	2.050	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cccc(NC(N)=O)c3)C2)cc1	855229096	KCJGJQKFAMTTQQ-OAHLLOKOSA-N	354.410	2.195	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN(C)Cc3ccc(C)o3)CC2)cc1	754001813	WBFMGHLTCFZWJK-LJQANCHMSA-N	373.497	2.212	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](CO)Cc3ccco3)C2)cc1	854303039	RSZADAAQZKIIHD-HOTGVXAUSA-N	373.453	2.017	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCC([C@@H](C)CO)CC3)C2)cc1	854297322	PRXMJJVSOLFTRX-DOTOQJQBSA-N	361.486	2.324	10	10	FECE	
COc1ccc(N2CC[C@@H](Nc3cc(N)c([N+](=O)[O-])c(CO)c3)C2)cc1	853759381	TYBYJXCCYZHLJD-CYBMUJFWSA-N	358.398	2.369	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2C[C@H]3C[C@@]3(c3ccccc3)C2)c1	927307419	NYZVOFAZTNVRJD-KUHUBIRLSA-N	372.446	2.177	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](O)CC(C)(C)C3)C2)cc1	854298015	UQULKUOFULROOE-DOTOQJQBSA-N	361.486	2.466	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cc(NC(C)=O)ccc3O)C2)cc1	855231501	AYUFWHYPJWBCAN-HNNXBMFYSA-N	369.421	2.368	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@]1(C)Oc2ccccc2NC1=O	935943840	GDZZPQLUPMDLCG-IBGZPJMESA-N	361.394	2.284	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CN(C)C(=O)[C@H]2C)cc1	862116288	MLGMQNFZEPKVDS-OAHLLOKOSA-N	353.422	2.096	10	10	FECE	
COc1ccc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])cn3)CC2)cc1	762166672	ARLRBMXJNUTWMN-UHFFFAOYSA-N	356.382	2.397	10	10	FECE	
Cn1ccnc1-c1noc(NCc2ccc(N3CCOCC3)c(F)c2)n1	777507610	RFYRHKKPNYNZFM-UHFFFAOYSA-N	358.377	2.058	10	10	FECE	
COC(=O)N1CCC[C@H]([C@@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2O)C1	775071429	AFCPPYHGDUGDOQ-YPMHNXCESA-N	367.402	2.266	10	10	FECE	
O=C(Cc1nc(C2CC2)n[nH]1)NCc1cccc(Br)c1O	1139974484	DGXQHOOPSBTIHC-UHFFFAOYSA-N	351.204	2.009	10	10	FECE	
COC(=O)c1cc(OC)c(S(=O)(=O)Nc2ccc(O)c(OC)c2)s1	797819422	IRMBCFOVYUEVFQ-UHFFFAOYSA-N	373.408	2.058	10	10	FECE	
C[C@@H]1Oc2ccccc2N(CC(=O)NCc2cccc(Cl)c2O)C1=O	1159033100	BHBGWXFBPPDABF-NSHDSACASA-N	360.797	2.476	10	10	FECE	
C[C@@H](C(=O)NCc1c(O)cccc1F)S(=O)(=O)c1ccc(F)cc1	1303879366	ZTJGPJMDTVPSLO-JTQLQIEISA-N	355.362	2.149	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@H](O)c1cccc(Br)c1	1304054039	BEWOKESTLSEUMM-CQSZACIVSA-N	352.184	2.210	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1C[C@H]1C(F)(F)F	1334574383	UDCGWQZDZQOINR-DZGCQCFKSA-N	369.387	2.218	10	10	FECE	
C[C@H](NC(=O)C(=O)NC[C@@H]1CCCC(C)(C)O1)c1ccc(N(C)C)cc1	1332983488	XZGBSPFCCDDHLT-YOEHRIQHSA-N	361.486	2.394	10	10	FECE	
Oc1ccsc1-c1nnc(N2CCO[C@@]3(CCOC3)C2)n1CC1CC1	1263681729	VDOOLRSMAOHNIM-KRWDZBQOSA-N	362.455	2.118	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NCc2ccc3c(c2)CCO3)C1	2116264760	GWADJECDFRMLER-SJORKVTESA-N	362.470	2.329	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)NCCO[C@H]2CCOC2)CCCC1	1536041881	BNUPNQQBDNSLIW-INIZCTEOSA-N	372.465	2.450	10	10	FECE	
CCN(CC)c1ccc(Cn2c(C)nnc2N2CCN(C(C)=O)CC2)cc1	1615378519	VVMBHCYYIPVLOB-UHFFFAOYSA-N	370.501	2.150	10	10	FECE	
CS(=O)(=O)c1ccccc1CNC(=O)c1ccc(N=NC(N)=O)cc1	1557038290	IFGWNUAUECHYRF-UHFFFAOYSA-N	360.395	2.183	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)c2cc(N(C)C)ccn2)N(C)C)cc1	1647081251	JSYPHWRIEXRBMM-LJQANCHMSA-N	355.486	2.246	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(C(=O)N2CC(N=[N+]=[N-])C2)no1	2124518481	YMOKCUOTANSLNF-JTQLQIEISA-N	363.378	2.276	10	10	FECE	
CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2124540127	DEJZPTAFVOOFKF-RYUDHWBXSA-N	369.422	2.134	10	10	FECE	
CC[C@](C)(CNC(=O)N1CCN(c2ccc(OC)cc2OC)CC1)OC	1686545365	UKSISDGPFXJIFY-LJQANCHMSA-N	365.474	2.351	10	10	FECE	
C[C@@H](N=c1nc(CNC(=O)OC(C)(C)C)[nH][nH]1)c1ccc(N(C)C)cc1	2126785220	IVHVDNDYKWCWRJ-GFCCVEGCSA-N	360.462	2.490	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CCc4[nH]c(C)nc4C3)CC2)cc1	161167328	CGKDLEAJQCFYJL-OAHLLOKOSA-N	354.454	2.180	10	10	FECE	
C[C@@H](Oc1ccc(N)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O	1860078577	OQZITBFOJOGXCL-XIKOKIGWSA-N	367.405	2.330	10	10	FECE	
COC(=O)C1(NCc2cccc(Cl)c2O)CN(C(=O)OC(C)(C)C)C1	1913921529	KOYDKHHZEGQDHK-UHFFFAOYSA-N	370.833	2.298	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1cccc(C)c1O	2139761441	YGBRZURGIZWCBQ-LSDHHAIUSA-N	364.442	2.199	10	10	FECE	
CCNCc1ccc(N2CCCS(=O)(=O)CC2)cc1Br	233521927	JVCWEUKNQUWAOK-UHFFFAOYSA-N	361.305	2.184	10	10	FECE	
CO[C@@H]1CN(Cc2cc(Cl)cc(Br)c2O)C[C@H]1C(=O)O	708117180	XDIWRNLXYKXGQO-MWLCHTKSSA-N	364.623	2.340	10	10	FECE	
CN[C@@H](c1ccc(N(C)C)cc1)[C@H](CN(C)C)NC(=O)OC(C)(C)C	2044752483	NMCNAELIOGJLEG-IRXDYDNUSA-N	350.507	2.468	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H](N=[N+]=[N-])C1)C1(O)CCC1	2067740131	NPUYFGDQFXLEMA-RYUDHWBXSA-N	353.423	2.096	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CNCc2cc3c(cc2O)OCO3)C1	2092528346	DFKWTQHVAKFPLK-BFUOFWGJSA-N	362.426	2.468	10	10	FECE	
COc1ccc(O)c(CN[C@@H]2CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1	2121673688	RYIXIMIWBDSLDS-UXLLHSPISA-N	364.442	2.125	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)c1c[nH]nc1CCNC(=O)OC(C)(C)C	2219856032	PABZWJJMLVQLTQ-UHFFFAOYSA-N	351.411	2.249	10	10	FECE	
CC(C)(C)OC(=O)NCCCn1cnc(C(=O)N2CC[C@H](N=[N+]=[N-])C2)c1	2225192917	LXLQQSHVNPJCQR-LBPRGKRZSA-N	363.422	2.323	10	10	FECE	
C[C@@H]1OC2(C(=O)N3CC[C@@H](N=[N+]=[N-])C3)CC1(NC(=O)OC(C)(C)C)C2	2254817621	MYAUXFLWBCVCSK-FYROIQCASA-N	351.407	2.112	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(CCC(=O)Nc1ccc(N)cc1)C2	2288265797	BGCRIKBBUHQWCS-JLTOFOAXSA-N	374.485	2.444	10	10	FECE	
COc1cc(C=C2C(=O)NN(c3ccc(C)cc3)C2=O)ccc1OC(C)=O	2297312334	NUVFDDBWLLRSNR-UHFFFAOYSA-N	366.373	2.390	10	10	FECE	
CSc1ccc(C=C2SC(=S)N([C@H](CO)C(=O)O)C2=O)cc1	2323832072	HVTZMNHJBRXRJD-SNVBAGLBSA-N	355.462	2.055	10	10	FECE	
CN(C)c1ccc(CN[C@](C)(CNC(=O)OC(C)(C)C)C(=O)O)cc1	2326499607	KRJMDIRVOYOJCG-GOSISDBHSA-N	351.447	2.210	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NC(=O)CCOc1ccc(N)cc1	2333049427	ACKSZZNDUPGWPN-NUTKFTJISA-N	361.442	2.162	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](C(=O)N3CC[C@H](N=[N+]=[N-])C3)C[C@@H]21	2333782487	ACKFYTOEQBRFAQ-XDQVBPFNSA-N	365.434	2.312	10	10	FECE	
C[C@H](C=CC(=O)N1CCc2cc(O)c(O)cc2C1)NC(=O)OC(C)(C)C	2341196839	OMKJFFOFPVLOMY-GFCCVEGCSA-N	362.426	2.452	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCCCOC[C@H]1CCOC1	124768830	UCRVXTCTEQJTKO-ZLHKHBAESA-N	374.481	2.096	10	10	FECE	
C[C@@H](NC=C1C(=O)N(C)C(=O)N(C)C1=O)c1ccccc1Br	121026050	SOLUVQKHNROLID-SECBINFHSA-N	366.215	2.034	10	10	FECE	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccn2)cc1F	79811136	QRWFFZPHSHEPRQ-SFHVURJKSA-N	370.428	2.208	10	10	FECE	
O=C1[C@H]2COC[C@H]1CC(C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C2	369604851	AFURTEWMOTZGJL-KZNAEPCWSA-N	373.449	2.142	10	10	FECE	
COC(=O)[C@@]12CCOC[C@@H]1CN(Cc1cc(Cl)cc(OC)c1O)C2	369542483	UJCCVODJBFFREN-YVEFUNNKSA-N	355.818	2.066	10	10	FECE	
O=S1(=O)CCCN1[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2O)C1	294625845	JLCPHIHVSKUZGA-GFCCVEGCSA-N	362.854	2.185	10	10	FECE	
C[C@H](C(=O)N1CCCC1)N1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1	835028641	NVQQXDCNJLJGOZ-LIXSYLKWSA-N	370.541	2.394	10	10	FECE	
COc1ccc(O[C@H](C)C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)cc1	832293193	RDPRVHHJZJLRAP-AUUYWEPGSA-N	357.454	2.345	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)c2coc(S(C)(=O)=O)c2)cc1	844339533	MXVTYMIAHSVORO-UHFFFAOYSA-N	350.440	2.459	10	10	FECE	
C[C@@H]1CCCc2nc(S(=O)(=O)NCc3ccc(N(C)C)c(F)c3)cn21	841480391	IMQUGNUHKNIQAR-GFCCVEGCSA-N	366.462	2.464	10	10	FECE	
CNC(=O)[C@H](CNCc1cc2c(cc1O)OCO2)Cc1ccc(F)cc1C	842722678	RKOSNFCEIZJDAQ-HNNXBMFYSA-N	374.412	2.263	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H]([C@@]2(C)COC(=O)N2)C1	919068703	ARNFVUPWSAXMNX-OXQOHEQNSA-N	374.485	2.481	10	10	FECE	
COc1ccccc1C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(N)cc1	841025244	VGSLNTDRAWRWNI-QGZVFWFLSA-N	353.422	2.450	10	10	FECE	
CCOC(=O)N[C@@H](C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(C)C	855232316	PRBOHSIDQREFNA-RHSMWYFYSA-N	363.458	2.161	10	10	FECE	
COCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2cc(C)cc(OC)c2O)C1	754723370	QZHVVRXSBFZMLQ-LSDHHAIUSA-N	350.459	2.072	10	10	FECE	
CCNC(=O)c1ccc(NC2CCN(c3ccc(OC)cc3)CC2)nn1	756766046	IAEVGWQNBHRMLZ-UHFFFAOYSA-N	355.442	2.316	10	10	FECE	
COc1cc(C)c(C)cc1NC(=O)C(=O)NCCc1ccc(O)c(O)c1	850401087	SRPPRTYDOVPJLX-UHFFFAOYSA-N	358.394	2.021	10	10	FECE	
CC(=O)OCC(C)(C)CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	777796260	WGTFLVDQAFIDKR-UHFFFAOYSA-N	362.470	2.461	10	10	FECE	
CCc1noc(C[C@@]2(O)CCCN(Cc3cc(C)cc(OC)c3O)C2)n1	895376299	WSTAQAAKZHIJRY-IBGZPJMESA-N	361.442	2.224	10	10	FECE	
Cc1cc(C(=O)NN2C(=O)[C@H](C)N(C)C2=O)c(C)n1-c1ccc(F)cc1	1148178784	DDZZTMLGZUJHNX-LBPRGKRZSA-N	358.373	2.161	10	10	FECE	
C[C@H](NCCN(C[C@@H](C)O)C(=O)OC(C)(C)C)c1ccc(O)cc1O	394138298	PSYMALIFDGDDAW-OLZOCXBDSA-N	354.447	2.366	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@@]2(C)CCC(=O)NC2)n1CC1CC1	1345137496	UTKVJIFJBIJNKO-FQEVSTJZSA-N	369.469	2.198	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)N2C[C@@H](CO)[C@H](CCO)C2)c1C	1348198237	GVEVWTJQEKMIHU-MSOLQXFVSA-N	356.466	2.465	10	10	FECE	
Cc1cc(O)ccc1CC(=O)NCc1ccc(N2CCN(C)CC2)cc1	1350385831	GHMJMBORBXYJKU-UHFFFAOYSA-N	353.466	2.311	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CC[C@@H]1[C@H]1CCCOC1	1519473609	IPJLSBSSOICXFH-FXAWDEMLSA-N	373.497	2.358	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(Cn2ccnn2)cc1	1466790114	CEXWHTYYNCYLSN-ZDUSSCGKSA-N	352.394	2.099	10	10	FECE	
Oc1ccccc1CN[C@@H]1[C@H]2CO[C@@H](O2)[C@H](Sc2ccccc2)[C@@H]1O	1614586034	AGUBEXLUYDPTRA-NNIGNNQHSA-N	359.447	2.127	10	10	FECE	
CN(C)c1ccc(CN(C[C@@H]2CN=C(c3cnn(C)c3)O2)C2CC2)cc1	1473116369	ZNAKQQTYJOQAMW-IBGZPJMESA-N	353.470	2.296	10	10	FECE	
CCCS(=O)(=O)Nc1cccc(C(=O)NCc2c(O)cccc2O)c1	1558533355	DGCMUIWGVSQMOL-UHFFFAOYSA-N	364.423	2.180	10	10	FECE	
C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(O)c(O)c1	1624065042	HGYUAXSFLCZRSM-QWHCGFSZSA-N	364.442	2.497	10	10	FECE	
CCOCc1nnc(N(C)Cc2ccccc2O)n1C[C@H](F)COC	1728983957	XAOFEHFSNVNSSH-AWEZNQCLSA-N	352.410	2.141	10	10	FECE	
O=C(NCc1cc(O)ccc1O)C(=O)Nc1cccc(C(F)(F)F)c1	1633599077	NVXGCKSGHGMDIQ-UHFFFAOYSA-N	354.284	2.372	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCn3c(CC4CC4)nnc3C2)cc1	1639851809	FFBUQNCVZQIALD-UHFFFAOYSA-N	353.386	2.049	10	10	FECE	
O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCc1ccc(O)cc1O	1639444420	LBQAAUAVYHFYRC-UHFFFAOYSA-N	369.333	2.249	10	10	FECE	
CN(C)CCOc1cc(CNC(=O)c2ccc(N=NC(N)=O)cc2)ccn1	1567095599	QIYJBJPAFWLYAQ-UHFFFAOYSA-N	370.413	2.114	10	10	FECE	
Cc1c(C(=O)NCc2cccc(O)c2O)sc2nc3n(c(=O)c12)CCC3	1643810161	XCNVEPPNXQDWIG-UHFFFAOYSA-N	371.418	2.054	10	10	FECE	
Cc1cc(C(=O)N[C@H](CO)Cc2cnc[nH]2)c(C)n1-c1ccc(F)cc1	1643132203	BDCBHBPZRIHHGG-INIZCTEOSA-N	356.401	2.290	10	10	FECE	
Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CC1(C)COC1	1762514513	SDZNCCNSHFBVMV-UHFFFAOYSA-N	371.485	2.096	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1CCN(C)CC(F)(F)F	1762515974	QYWAYFBPCBSCEY-UHFFFAOYSA-N	357.380	2.423	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC=CCC1	2136258319	HTYMWZADRUJZMP-AWEZNQCLSA-N	362.426	2.322	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3cccc(O)c3O)C[C@@H]21	280460843	MEEKAPVRLXBRBG-FPMFFAJLSA-N	362.426	2.473	10	10	FECE	
C[C@@H](NC[C@H]1COCCN1C(=O)OC(C)(C)C)c1c(O)cccc1O	310605618	ATMLSIZZVUFILV-OLZOCXBDSA-N	352.431	2.384	10	10	FECE	
C[C@@H]1CC[C@H]([C@H](NC(=O)OC(C)(C)C)C(=O)N2CC[C@@H](N=[N+]=[N-])C2)O1	2060635527	MSGBMBTWNFTGBO-LPWJVIDDSA-N	353.423	2.358	10	10	FECE	
C[C@H](N=c1nc(CNC(=O)OC(C)(C)C)[nH][nH]1)c1ccc(F)cc1O	2063192115	CXGMZRQKAVTOMZ-VIFPVBQESA-N	351.382	2.269	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-]	2225794497	GIEFWKPNRAWPGE-YNEHKIRRSA-N	363.422	2.193	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CC(F)(F)CN1C(=O)c1ccc(O)c(O)c1	2278884438	OBMHRCDETVFKLP-LLVKDONJSA-N	372.368	2.472	10	10	FECE	
C[C@H]1CC[C@H](S(C)(=O)=O)CN1c1ccc(CO)cc1Br	2279400172	FSWONCLIBJUNOV-JQWIXIFHSA-N	362.289	2.343	10	10	FECE	
O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNc1cccc([N+](=O)[O-])c1	2297329671	PHOGVUOGBWNTDQ-UHFFFAOYSA-N	352.306	2.174	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)CNc2ccc(C(N)=O)cc2)cc1F	172799587	QLWCPHKTWMCAHX-UHFFFAOYSA-N	372.444	2.499	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)Nc1nnc(C(F)(F)F)[nH]1	108785634	TXIMRUPWZZVMAI-ZZXKWVIFSA-N	367.331	2.312	10	10	FECE	
COc1ccc(N2CCC(Nc3ncc([N+](=O)[O-])cc3C(N)=O)CC2)cc1	301193619	SVWCSFAYVBVAJO-UHFFFAOYSA-N	371.397	2.178	10	10	FECE	
CCOCCCNC(=O)C1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1	170912576	HMJVKVLBOZXHBZ-UHFFFAOYSA-N	365.430	2.055	10	10	FECE	
CCCCN(C(=O)[C@@H](C)Sc1nccs1)[C@@H]1CCS(=O)(=O)C1	194356981	NDRFZEBLQSWHRX-VXGBXAGGSA-N	362.542	2.440	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)OCCNC2	528710631	KQHGSVLRRYSSRF-LBPRGKRZSA-N	357.410	2.333	10	10	FECE	
CN1CCCc2cc(C=c3sc(=CC(=O)C(C)(C)C)[nH]c3=O)ccc21	255364658	NRTNRYKDSDUTSN-UHFFFAOYSA-N	356.491	2.043	10	10	FECE	
Cc1nc([C@H]2COCCN2Cc2cc(Cl)cc([N+](=O)[O-])c2O)no1	378530468	GGSUTCLXJGWSEZ-GFCCVEGCSA-N	354.750	2.219	10	10	FECE	
CN[C@@H]1C(=O)Nc2cc(N3C[C@@H]4CN(Cc5ccccc5)C[C@@H]4C3)ccc21	705958187	QMXDVRZIIRLDRV-FVJLSDCUSA-N	362.477	2.467	10	10	FECE	
NS(=O)(=O)CCCCCCC(=O)NCc1c(O)ccc2c1CCCC2	293741663	OFGXYEXEROFKCR-UHFFFAOYSA-N	368.499	2.126	10	10	FECE	
C[C@H](NC(=O)Cc1cn(C)nc1Cl)c1ccc(N2CCOCC2)cc1	814408405	UKMJZLBNXIPCAF-ZDUSSCGKSA-N	362.861	2.330	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)c1cscn1	829894622	UNGPREWWXOMAPF-ZDUSSCGKSA-N	360.483	2.435	10	10	FECE	
C[C@H](NC(=O)N1CCC(c2nc(O)n[nH]2)CC1)c1ccc(N(C)C)cc1	922053115	CCLUPILAUMPSKG-LBPRGKRZSA-N	358.446	2.227	10	10	FECE	
Cc1cc(C(=O)OC[C@H](C)CS(C)(=O)=O)c(C)n1-c1ccccn1	757992152	VIGQPSACJFUNPG-LBPRGKRZSA-N	350.440	2.327	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cc3noc(C45CC(C4)C5)n3)CC2)cc1	858747017	NHHCBKJSBQTZFN-UHFFFAOYSA-N	368.437	2.021	10	10	FECE	
CC(=O)C(=O)COC(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@@H]2C	924147064	YRQDZOXHPPLWHN-LLVKDONJSA-N	364.398	2.115	10	10	FECE	
C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@](C)(C(F)F)O1	853999012	GIPCCUFZOIYTJQ-VXJOIVPMSA-N	357.313	2.175	10	10	FECE	
C[C@@H](N[C@H]1CNOC1)c1cc(Br)cc(Br)c1O	925869335	JSFAZAIMDCLKOQ-SVRRBLITSA-N	366.053	2.471	10	10	FECE	
COc1ccc(N2CC[C@H](Nc3ccnc(N4CCOCC4)n3)C2)cc1	853758700	JKJKSVPBSOBRAS-HNNXBMFYSA-N	355.442	2.013	10	10	FECE	
NC(=O)C[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)CCO1	862535778	YSRUCMSGULPAKA-SFHVURJKSA-N	356.422	2.047	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H]2CSC[C@H]2C1	867423594	JHVZKGRQOMNSAR-JKSUJKDBSA-N	362.495	2.342	10	10	FECE	
CCO[C@H](C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCOC1	868956143	LCPPKCSFOOPXNU-MDZRGWNJSA-N	362.470	2.079	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@@H](C(=O)N3CCCC3)C2)c1O	774888546	QSCGWXWUHICVHL-CQSZACIVSA-N	363.414	2.143	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N(C)c2cc(OC)cc(OC)c2)c1	786672044	RSZPFKALGLPDTB-AATRIKPKSA-N	355.394	2.135	10	10	FECE	
Cc1cc(C(=O)Cn2ncsc2=O)c(C)n1-c1ccc2c(c1)OCO2	785453445	JLFXJZPSMADUIG-UHFFFAOYSA-N	357.391	2.324	10	10	FECE	
CN(c1ccc(CNC(=O)[C@H](O)Cc2cnn(C)c2)cc1)C1CCCCC1	786839998	CBROLKVFZPWUBS-HXUWFJFHSA-N	370.497	2.409	10	10	FECE	
Cc1ccc(CC[C@@H](C)NC(=O)C(=O)NCc2ccc(N(C)C)cc2)o1	785423807	HIWNWRCDRCQOHW-CQSZACIVSA-N	357.454	2.408	10	10	FECE	
C[C@H](c1ccccc1)[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(N)=O	1141552889	CEBSWFXHZMDZIW-ABAIWWIYSA-N	353.382	2.236	10	10	FECE	
O=C(NCc1ccccc1O)c1ccc(Br)cc1-n1cnnn1	1150535787	FBKOXCCBKKRADF-UHFFFAOYSA-N	374.198	2.060	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1	1963695197	RNKLEMJTHXGMEL-GOSISDBHSA-N	350.415	2.034	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(CNCc2ccc(F)c(F)c2O)CCOC1	703234855	USBJQYQIRGXGEV-QGZVFWFLSA-N	358.385	2.444	10	10	FECE	
CNC(=O)CN1CCCN(Cc2ccc(N3CCCCC3)c(C)c2)CC1	1176305146	YBIQSSDSOHHQIU-UHFFFAOYSA-N	358.530	2.239	10	10	FECE	
C[C@@H](NC(=O)C(=O)N1CCC[C@H]1c1ccnn1C)c1ccc(N(C)C)cc1	1262269753	FKJBMKGAAXAZFT-KDOFPFPSSA-N	369.469	2.027	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@](CO)(C(C)C)C3)C2)cc1	1261662567	RENACKXHEZHIRK-JXFKEZNVSA-N	361.486	2.324	10	10	FECE	
CCc1ccc(N2C[C@@H](C(=O)NCc3ccc(O)cc3O)CC2=O)cc1	1299569257	CDYAEJIGVSVWTL-HNNXBMFYSA-N	354.406	2.330	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1CCC(=O)N[C@H](C)CC	1709038068	BUIHCCXCFLPJNG-CQSZACIVSA-N	359.474	2.487	10	10	FECE	
Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)NCc2cc(O)ccc2O)c1	1558174594	PTQFFNIFCGESNN-QGZVFWFLSA-N	354.406	2.327	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(OCC(=O)OC)cc1	1556515754	KMKUTEUEEPDCGD-UHFFFAOYSA-N	364.394	2.360	10	10	FECE	
CCOC(=O)CN1C(=O)/C(=C/c2ccccc2C(=O)O)SC1=S	1277147	OIJYVCIOGXXYDO-XFFZJAGNSA-N	351.405	2.149	10	10	FECE	
C[C@H](NC(=O)c1c[nH]nc1I)c1ccccc1O	1635804272	RUJXUJOAIVAFID-ZETCQYMHSA-N	357.151	2.211	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N(C)Cc1ccccc1O	2124165970	MOKMNDDNVWQHSA-ZBFHGGJFSA-N	364.442	2.233	10	10	FECE	
O=C(c1cc(O)cs1)N1CCn2c(Cc3ccccc3F)nnc2C1	1583678207	UUQGQMIGIHGXBL-UHFFFAOYSA-N	358.398	2.431	10	10	FECE	
C[C@@H]1C[C@@]1(CNC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	2124299507	OHCSIBRTAWXGGV-BLVKFPJESA-N	364.442	2.307	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H](O)CCN1C(=O)OC(C)(C)C	2124384855	BECKUKXPQYIZBE-HUUCEWRRSA-N	364.442	2.111	10	10	FECE	
COc1ccc(C(=O)NCc2c(O)cccc2O)nc1Br	1652625691	IZHSWDKITKQTTF-UHFFFAOYSA-N	353.172	2.194	10	10	FECE	
Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NCc1c(O)cccc1O	1652626536	XZERBSLAVNMJSG-UHFFFAOYSA-N	357.332	2.332	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCCN(CC(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2124505596	NEQJNAPSJFTOHC-KGLIPLIRSA-N	366.466	2.277	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2124540707	KPEPYTUSMBPXKQ-SUMWQHHRSA-N	367.450	2.440	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1C=CCC1	2136254985	BVNMISKTSRYVTB-KGLIPLIRSA-N	362.426	2.368	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H](NCc3ccc(O)c(O)c3)CO2)C1	2137110267	GSXFMCQFBWRAFJ-IFXJQAMLSA-N	364.442	2.356	10	10	FECE	
O=C(O)[C@@H]1[C@@H]2OCCN(Cc3cc(Cl)cc(Br)c3O)[C@@H]21	2149274425	AQTUJUSTDXDUSK-UMNHJUIQSA-N	362.607	2.092	10	10	FECE	
COCC1(CNCc2c(O)cccc2OC)CN(C(=O)OC(C)(C)C)C1	1972802541	FCRIUXBHFOKJJJ-UHFFFAOYSA-N	366.458	2.374	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CNCc1ccc(O)c(O)c1O)C(F)(F)F	2029878924	XFXPKYPWRWBUPK-JTQLQIEISA-N	366.336	2.349	10	10	FECE	
C[C@H](N[C@@H]1COCC[C@@H]1NC(=O)OC(C)(C)C)c1ccc(O)cc1O	2031531937	GMLZMKVKJIURNA-TUKIKUTGSA-N	352.431	2.431	10	10	FECE	
C[C@H](N[C@H]1COCCN(C(=O)OC(C)(C)C)C1)c1cc(O)ccc1O	2034723872	VCDLNAYPXRCWKA-QWHCGFSZSA-N	352.431	2.384	10	10	FECE	
CN(Cc1ccc(N)cc1)C(=O)[C@H]1CC[C@@H](C(=O)O)N1Cc1ccccc1	2162607815	SLWAZCGIKXIFHJ-MOPGFXCFSA-N	367.449	2.345	10	10	FECE	
Nc1cc(Br)ccc1S(=O)(=O)NCc1ccccc1O	2191709130	ZBXRUXBIBPSAIP-UHFFFAOYSA-N	357.229	2.215	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)C1(CNC(=O)OC(C)(C)C)CCOCC1	2060611414	SXRVWZJNZLRKOV-UHFFFAOYSA-N	355.439	2.467	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])CO1	2060612903	LNHVCUFTXFKUPU-AGIUHOORSA-N	353.423	2.312	10	10	FECE	
C[C@H]1COC[C@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])N1C(=O)OC(C)(C)C	2060620446	AKSVWDDBPABUFE-RWMBFGLXSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)NCCCC1CN(C(=O)c2cccc(O)c2O)C1	2078784733	BPJRVEODZKPCJS-UHFFFAOYSA-N	350.415	2.475	10	10	FECE	
COc1cccc(O)c1CNCCN1CCN(C(=O)OC(C)(C)C)CC1	2104432038	LSLKMVFYKYREPY-UHFFFAOYSA-N	365.474	2.043	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(CC(=O)Nc2ccc(N)cc2)C1	2106760070	LKKSZWUDKIWLOW-CJNGLKHVSA-N	362.474	2.442	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc3c(c2)OCCO3)CC[C@H]1CO	2226764504	HEHXLZLQGDRRIP-DZGCQCFKSA-N	364.442	2.170	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@]12CO[C@@H](C1)[C@@H](NC(=O)OC(C)(C)C)C2	2254828726	LQOPOMNMPOTVIR-MQIPJXDCSA-N	353.423	2.218	10	10	FECE	
Cc1nn(C)c(Cl)c1C=CC(=O)N(C)c1ccc(S(C)(=O)=O)cc1	2297401602	MGKDTVWKVVERJM-UHFFFAOYSA-N	367.858	2.462	10	10	FECE	
NC(=O)c1ccc(F)c(NC(=O)C=Cc2ccc(N3CCOCC3)cc2)c1	2297505251	GYLJSSVZHJAGDM-UHFFFAOYSA-N	369.396	2.413	10	10	FECE	
COC(=O)c1ccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1	1210146	AWSDWAJDVYFTCG-DHZHZOJOSA-N	351.405	2.149	10	10	FECE	
COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	81203376	RPIJDQXDUWSZHE-BYCMXARLSA-N	368.380	2.182	10	10	FECE	
CN1CCN(C(=O)CC2CCN(Cc3ccc(N(C)C)cc3)CC2)CC1	93142098	IWJMSZMRQGTQAL-UHFFFAOYSA-N	358.530	2.129	10	10	FECE	
CCCN[C@H]1C(=O)Nc2cc(N(CC)CCO)c(Br)cc21	118711781	NTUHVFFCSWDAHN-CQSZACIVSA-N	356.264	2.261	10	10	FECE	
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)Cc1ccccc1O	136948095	RBDHRJMVKXXLDU-GFCCVEGCSA-N	357.366	2.077	10	10	FECE	
CN(C)c1cccc(CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)n1	153318382	MCMGWYDEIVAPCK-DHZHZOJOSA-N	366.465	2.314	10	10	FECE	
C[C@H]1CN(Cc2cccc(Br)c2O)C[C@@H]1N1CCOCC1	180231359	VABBIJHXLARSKF-WFASDCNBSA-N	355.276	2.307	10	10	FECE	
COc1ccc(N2CCN(C(=O)CNCc3ccc(F)cc3)CC2)cc1	243292352	LEALLQJIXUMTCT-UHFFFAOYSA-N	357.429	2.273	10	10	FECE	
COc1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)c(O)c1	373659356	JWXYHDSZJPUSNX-MRXNPFEDSA-N	370.405	2.027	10	10	FECE	
CN(C[C@@H]1CCN(Cc2ccccc2)C1)C[C@@H](O)COc1ccc(N)cc1	383262702	LYABUUYPDZSWRO-PZJWPPBQSA-N	369.509	2.462	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CN(C)C(=O)[C@@H]2C)C1	648649459	OIPGHRDHPQJTEL-HNNXBMFYSA-N	368.481	2.054	10	10	FECE	
Cc1ccc(-n2c(C)cc(C(=O)CN3CC[C@H](NC(N)=O)C3)c2C)cc1	762926625	VVLVEFORXHLVGI-INIZCTEOSA-N	354.454	2.328	10	10	FECE	
COc1nn(C)cc1NC(=O)NCc1cccc(Br)c1O	765389263	MIKIZPMKKWGRSN-UHFFFAOYSA-N	355.192	2.219	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCc2ccc3ccccc3n2)cc1	785422997	SJKRBIPFMRYEQU-UHFFFAOYSA-N	362.433	2.233	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnc4cc(OC)ccn34)CC2)cc1	819003777	GZDNBEKYQVYRGQ-UHFFFAOYSA-N	366.421	2.314	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H]3CCc4nc[nH]c4C3)C2)cc1	823629426	UZBQUSLWKIERAO-LSDHHAIUSA-N	369.469	2.101	10	10	FECE	
CN(C[C@@H]1CCCO1)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	838740326	VCHUPXQTRPRCDN-AWEZNQCLSA-N	369.412	2.122	10	10	FECE	
CN1CC[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](c2cnn(C)c2)C1	849486616	LHBXMEZXMOQTPI-PMACEKPBSA-N	369.513	2.180	10	10	FECE	
COc1ccc(N2CCC(N[C@@H]3CC[C@H](C)S(=O)(=O)C3)CC2)cc1	850369470	KPSUSIQKJGVGFR-GOEBONIOSA-N	352.500	2.219	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](O)C34CCCC4)C2)cc1	852448524	KBIONSKWNDQECG-YJBOKZPZSA-N	359.470	2.363	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Cn3cnc4ccccc43)C2)cc1	855224882	LPUDDDVMOZQMQV-HNNXBMFYSA-N	350.422	2.440	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3c(C4CCC4)cnn3C)cc2)CC1	893607870	MBQGGWIFJLTEBZ-UHFFFAOYSA-N	367.497	2.369	10	10	FECE	
CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NCc3cccc(Cl)c3O)[C@H]2C1	894893199	FLWGTXAZKIFGKI-DZKIICNBSA-N	365.861	2.492	10	10	FECE	
Cn1nnc(C(=O)NCc2c(O)ccc3c2CCCC3)c1C(F)(F)F	907061407	VKLNLJJDUPAMBE-UHFFFAOYSA-N	354.332	2.348	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(/C=C/C(=O)O)o1	911130707	DLUPGJSNOQWDDO-VQHVLOKHSA-N	370.405	2.486	10	10	FECE	
C[C@H]1CCCN(S(=O)(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1	920865396	AGOPJQYIBINPKA-JKSUJKDBSA-N	367.515	2.151	10	10	FECE	
CN(C)C(=O)c1cccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)c1	1136207571	QPIRVOPCJWBJQN-UHFFFAOYSA-N	353.382	2.481	10	10	FECE	
CC(C)(C)OC(=O)NC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1	1136272242	YPFFAWDIAQIUSZ-UHFFFAOYSA-N	350.415	2.156	10	10	FECE	
CCN(CC)c1ccc(Cn2c(C)nnc2N(C)C[C@@H](C)C(=O)NC)cc1	1295409369	DGFQEPZYRCMTET-OAHLLOKOSA-N	372.517	2.299	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CCC(=O)NCc2c(O)cccc2O)C1	1304053272	GHUGKEQXOAWWKQ-UHFFFAOYSA-N	350.415	2.361	10	10	FECE	
COCCN(CCOC)c1nnc(C)n1Cc1ccc2c(c1)CCCN2C	1316102905	NWKGSHODUMXSKM-UHFFFAOYSA-N	373.501	2.116	10	10	FECE	
C[C@H](NC(=O)C(=O)NC[C@@H]1CC[C@H](C2CC2)O1)c1ccc(N(C)C)cc1	1333430314	UFPVACSJUJCEKQ-DOPJRALCSA-N	359.470	2.004	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)NCCc1cccc2[nH]ccc12	1346403848	YMGZLJGDEFZGPK-UHFFFAOYSA-N	351.406	2.191	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCC2(C)CC(F)(F)C2)cc1F	1353672528	SLUDGNIXXQYEAR-UHFFFAOYSA-N	357.376	2.060	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1CCCC(=O)NC1CC1	1613923439	QZQKZARBPZXIID-UHFFFAOYSA-N	357.458	2.241	10	10	FECE	
CCOC(=O)c1nc(=NCc2ccccc2O)c(Br)c[nH]1	1639370889	IOIQLJMGENCFMT-UHFFFAOYSA-N	352.188	2.155	10	10	FECE	
C[C@H](NC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1)c1ccccc1O	1648892265	SSCLMSJCVPRCRL-AMKSKSKJSA-N	358.419	2.274	10	10	FECE	
COc1ccc(N2CCN(C(=O)NC[C@H]3CC(C)(C)CO3)CC2)cc1F	1687506131	GCIGMSUCVUSVKU-OAHLLOKOSA-N	365.449	2.481	10	10	FECE	
CO[C@@]1(C(=O)NCc2ccccc2O)CCN(C(=O)OC(C)(C)C)C1	1968614214	HGOMHKZCGIWXOK-SFHVURJKSA-N	350.415	2.034	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CNCc1ccc(O)c(O)c1O)C(F)(F)F	2029878926	XFXPKYPWRWBUPK-SNVBAGLBSA-N	366.336	2.349	10	10	FECE	
CO[C@H]1C[C@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060613517	RWTPECYGXDWXKT-FRRDWIJNSA-N	353.423	2.312	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@]1(C(=O)NCC2(CN=[N+]=[N-])CC2)CCOC1	2060632616	CWIFZUHUNQVVTO-MRXNPFEDSA-N	353.423	2.219	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)N1CC[C@@H](N=[N+]=[N-])C1	2060635833	PTEQPNRGWQMRHU-FRRDWIJNSA-N	353.423	2.170	10	10	FECE	
CCN(C[C@H](C)NC(=O)OC(C)(C)C)C[C@@H](O)COc1ccc(N)cc1	2106766780	QPCRJZULNHVNPB-GOEBONIOSA-N	367.490	2.244	10	10	FECE	
CN(CCOCCN(C)C(=O)c1ccc(O)c(O)c1)C(=O)OC(C)(C)C	2118158129	HHQGXNZCJXOIBA-UHFFFAOYSA-N	368.430	2.053	10	10	FECE	
COc1ccc(N2C[C@H]3CCO[C@]3(CNC(=O)OC(C)(C)C)C2)c(N)c1	2118555420	KMYLUYKIRUGOMX-BFUOFWGJSA-N	363.458	2.397	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1cc(O)c(O)c(O)c1	2132404706	UFKBEUXSJSSAOW-GFCCVEGCSA-N	366.414	2.323	10	10	FECE	
COc1cc(N)c(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cc1OC	2153992112	DXDOZQGXLSQSAM-WIYYLYMNSA-N	369.465	2.376	10	10	FECE	
O=C1NC[C@H]2CN(Cc3cc(Cl)cc(Br)c3O)CC[C@@H]12	2157178813	NHBLRIQMYZJLFZ-GXSJLCMTSA-N	359.651	2.376	10	10	FECE	
CN(C(=O)CN1CC2(CCN(C(=O)OC(C)(C)C)C2)C1)c1ccc(N)cc1	2162940754	BMNYNAXVVJAIBT-UHFFFAOYSA-N	374.485	2.174	10	10	FECE	
Cn1nccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-]	2225791313	CKZLBHSKDBGPBG-LOWVWBTDSA-N	363.422	2.334	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc3c(c2)OCCO3)C[C@@H]1CO	2226763793	BZLFPWIHYHMRGH-UKRRQHHQSA-N	364.442	2.170	10	10	FECE	
CCOc1cccc(C=C2SC(=S)N(C)C2=O)c1OCC(=O)O	2294280045	UIMBCUHFSRHPJZ-UHFFFAOYSA-N	353.421	2.380	10	10	FECE	
COc1ccc(C=C2SC(N3CCOCC3)=NC2=O)c(OC)c1OC	2296665660	DTFZIDBNXBTCAO-UHFFFAOYSA-N	364.423	2.015	10	10	FECE	
Cc1ccc(CN(C)CCCS(C)(=O)=O)c(O)c1Br	2352948993	XFNVRANBGMBVHW-UHFFFAOYSA-N	350.278	2.330	10	10	FECE	
COCCn1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCC(C)CC1	4847692	XADKMNVTNZMLCX-GOSISDBHSA-N	358.490	2.207	10	10	FECE	
C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1ccc(N3CCCC3)cc1)CS2	28333232	HVRFVDXNJWCUES-QFBILLFUSA-N	359.495	2.357	10	10	FECE	
COc1ccc(N2CCN(c3nc(C(=O)NC4CC4)cs3)CC2)cc1	65211534	NBXIAHXPDFAXQR-UHFFFAOYSA-N	358.467	2.371	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3CCCC[C@@H]3[C@H]3CNC(=O)C3)ccc21	119677058	CYODWBBNDRAJFT-IEBWSBKVSA-N	370.497	2.269	10	10	FECE	
COCCN1CCCN(Cc2cc(OC)cc(C(C)(C)C)c2O)CC1=O	189303595	GONHHSYHEMAALF-UHFFFAOYSA-N	364.486	2.379	10	10	FECE	
O=C1[C@@H]2[C@@H]3CCC[C@@H]3CN2C(=O)N1Cc1ccc(N2CCOCC2)cc1	277450475	STWQREWGXRLOOT-NXHRZFHOSA-N	355.438	2.086	10	10	FECE	
COC(=O)/C=C/c1ccc(N2C[C@H](C)O[C@]3(CCOC3)C2)c([N+](=O)[O-])c1	280371512	YOAPLRISAMTELJ-DDTGXZNUSA-N	362.382	2.165	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N(C)CC1CC1	297769727	IKBUTTRHWBNFCX-UHFFFAOYSA-N	369.259	2.372	10	10	FECE	
COC(=O)CCC1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1	761906162	WICQKGXOUGSXJJ-UHFFFAOYSA-N	363.370	2.095	10	10	FECE	
C[C@H](CCNC(=O)NCc1cccc(Br)c1O)[S@@](C)=O	764801422	VWLHBDGEKDTALX-GSDQLPOLSA-N	363.277	2.111	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2C[C@H]3C[C@@]3(CO)C2)C1	768241284	KTIMQXVPBOUSNA-ZHRRBRCNSA-N	367.493	2.249	10	10	FECE	
COC(=O)c1cccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1C	775289551	WAUJPKYLVJIGBJ-UHFFFAOYSA-N	366.351	2.196	10	10	FECE	
COc1cc(NS(=O)(=O)c2cc(OC)c(OC)cc2F)ccc1O	797820212	LQCTYFOTILSXMW-UHFFFAOYSA-N	357.359	2.358	10	10	FECE	
COc1cc(Br)cc(CN2CCO[C@H](C(=O)C3CC3)C2)c1O	811502258	OBHMOQPSSZIUGS-AWEZNQCLSA-N	370.243	2.343	10	10	FECE	
C[C@H]1CC[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CS1(=O)=O	821999811	FRPSUDRFEQDXOB-JSGCOSHPSA-N	366.483	2.036	10	10	FECE	
COCC(C)(C)CC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	839799281	LWIIDLXDZFAIRT-UHFFFAOYSA-N	356.413	2.480	10	10	FECE	
CC(C)(C)OC(=O)NCC(F)(F)CC(=O)NCc1ccc(O)c(O)c1	845833674	HQMUJJGRAOIALA-UHFFFAOYSA-N	360.357	2.264	10	10	FECE	
COC(=O)C[C@H](CNC(=O)N[C@H](C)c1cc(OC)ccc1O)C1CC1	852605462	SUOULSJMRHSQJP-DGCLKSJQSA-N	350.415	2.350	10	10	FECE	
O=C1[C@@H]2[C@@H]3CCC[C@@H]3CN2C(=O)N1Cc1ccc(N2CCC(O)CC2)cc1	853090117	YGORTXYIYUIWDI-LZQZEXGQSA-N	369.465	2.210	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2Cc3c[nH]nc3CC(C)(C)C2)cc1	854054735	CGPXNAIXBQJYAD-UHFFFAOYSA-N	355.486	2.176	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H]4CN(C)CC[C@@H]43)C2)cc1	854298922	KESXZKKIWBOPTG-ZWOKBUDYSA-N	372.513	2.400	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)C2)cc1	855232860	VIFRMHSTJXGEPF-GFCCVEGCSA-N	374.372	2.333	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3CC[C@@H](CO)C[C@H]3C)C2)cc1	858551912	NMJLOASANFKNLX-ZACQAIPSSA-N	361.486	2.324	10	10	FECE	
COC(=O)C1(CS(=O)(=O)N[C@@H](C)c2ccccc2O)CCCCC1	867836449	TVOVTXFOWDYLLZ-ZDUSSCGKSA-N	355.456	2.496	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3nnn(C(C)C)c3C)CC2)c(OC)c1	870165936	PYUSWZQIKHUKBV-UHFFFAOYSA-N	373.457	2.147	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCO[C@@H](C(F)F)CC1	872268431	IOTHJQFHQVCFBN-MRXNPFEDSA-N	355.429	2.067	10	10	FECE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	897807488	AGNQFSXYWMLFJY-SKWUIDRYSA-N	353.466	2.087	10	10	FECE	
COC(=O)C1CC2(C1)CN(Cc1cc(Cl)cc(F)c1O)C[C@@H]2C(=O)O	903694786	GLZCCRCODLOPGG-JKIHBJTHSA-N	371.792	2.271	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@]1(C)CCCS1(=O)=O	910557588	HRWCOVUFWJNXGQ-KDOFPFPSSA-N	352.500	2.076	10	10	FECE	
COC1CCN(c2ccc(CN3C[C@@H]4CCC[C@]4(C(N)=O)C3)cc2)CC1	933749015	BUYOJYAFAYASTR-UWJYYQICSA-N	357.498	2.389	10	10	FECE	
CN1C(=O)C[C@H](C(=O)NCc2cccc(O)c2O)[C@H]1c1cccc(F)c1	1153798605	RSQVDUVYLUHEFP-WMLDXEAASA-N	358.369	2.073	10	10	FECE	
CC1CCC(O)(CNC(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC1	1254716746	UKNMTMHPSJGKCT-UHFFFAOYSA-N	374.529	2.179	10	10	FECE	
O=C(NCc1ccccc1)[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	1299833203	ICSNNETWDMPFPL-LKUPDRCFSA-N	366.417	2.276	10	10	FECE	
C[C@@H](NC(=O)c1cn(C)nc1I)c1ccccc1O	1454803816	GSXBWYNAQCUUCO-MRVPVSSYSA-N	371.178	2.221	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C	1467840310	NSZNICZELCGANZ-LBPRGKRZSA-N	367.364	2.197	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3CSC[C@H]3C)CC2)c(OC)c1	1478612493	UXDDZYUGOYMRER-UKRRQHHQSA-N	365.499	2.287	10	10	FECE	
CCC(CC)(CO)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1479534685	NPIZUIBMPQMNAF-GOSISDBHSA-N	364.534	2.453	10	10	FECE	
C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NCc1cc(Cl)ccc1O	1628667617	YJBSJWAOGBBMDP-SNVBAGLBSA-N	372.812	2.357	10	10	FECE	
CC[C@H](C)[C@@H](C(=O)OC)N1CCN(c2ccc(OC)cc2OC)CC1	1655379076	ZCGCLEVYVBOQEK-KSSFIOAISA-N	350.459	2.414	10	10	FECE	
CC(C)(C)OC(=O)NCCN(CC(F)F)C(=O)c1cccc(O)c1O	1963821667	JXUOHQXFBYGQFC-UHFFFAOYSA-N	360.357	2.330	10	10	FECE	
C[C@@H](CN(C)C(=O)OC(C)(C)C)N(C)S(=O)(=O)Cc1ccc(N)cc1	2049138333	PNVMHEUKOCZRSC-ZDUSSCGKSA-N	371.503	2.286	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CCC[C@]2(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1	2049785599	CJLQBGXEEQRGGS-FORMXFIPSA-N	350.459	2.289	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H](C(=O)N2CCC[C@H](N=[N+]=[N-])C2)C1	2060619185	JVPCLSJRYXVKAJ-STQMWFEESA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2064341146	DLSFSJFEGGORCN-QWHCGFSZSA-N	355.439	2.201	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)[C@H](CCO)NC(=O)OC(C)(C)C	2073136646	WQPLXAVXGYYIPQ-JSGCOSHPSA-N	352.431	2.187	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCCN=[N+]=[N-])C[C@H]2COCC[C@H]21	2124537827	CDWPBPCFKOAUMA-HZSPNIEDSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1	2132413181	KQWALTBLSPNXRH-NEPJUHHUSA-N	366.414	2.369	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1C[C@H]2C[C@@H]2C1	2136252946	IECPOSRGXOCPIB-MCIONIFRSA-N	362.426	2.012	10	10	FECE	
CC(C)(C)OC(=O)NC1(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])CCOCC1	2218743581	GIJJKCWTKBMSFU-RYUDHWBXSA-N	353.423	2.408	10	10	FECE	
[N-]=[N+]=NC[C@@H]1CCN(S(=O)(=O)Cc2ncsc2Br)C1	2226128308	IIJRKCKEPZFJGZ-ZETCQYMHSA-N	366.266	2.368	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@]2(NCc3cccc(F)c3O)CO[C@H]1C2	2255113576	PUIFCEPQECHGNQ-DEYYWGMASA-N	352.406	2.446	10	10	FECE	
CN1CCc2cc([C@@H](N)C3(O)[C@H]4C[C@H]3CN(C(=O)OC(C)(C)C)C4)ccc21	2286195590	PVKVUQLYWCGPGE-XYJFISCASA-N	373.497	2.297	10	10	FECE	
COC(=O)CCN1C(=O)C(=Cc2ccc(C(=O)OC)cc2)SC1=S	2314736486	LEZMHGMCUSCRLM-UHFFFAOYSA-N	365.432	2.238	10	10	FECE	
Nc1ccc(OC[C@@H](O)CN2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1	2356973357	JWOKNFUQUYISEJ-RCZSKKKRSA-N	367.493	2.215	10	10	FECE	
O=C1C[C@H]([C@H]2CCCCN2C(=O)NCc2ccc(N3CC=CC3)cc2)CN1	121996722	WEUMMYFVTJDHHB-PKOBYXMFSA-N	368.481	2.263	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC(n3ccnn3)CC2)c([N+](=O)[O-])c1	301921197	DNKOAFDAXQZRBZ-HWKANZROSA-N	357.370	2.214	10	10	FECE	
CC(C)S(=O)(=O)n1c(N)nc2ccc(C(=O)C(=O)c3ccccc3)cc21	136362199	PFQQJGICAZPHRA-UHFFFAOYSA-N	371.418	2.270	10	10	FECE	
COc1ccc(N2CCN(C(=O)NC3CCN(CC4CC4)CC3)CC2)cc1	193385153	ZGJILJIVZOYHMA-UHFFFAOYSA-N	372.513	2.401	10	10	FECE	
Cc1cccn2c(=O)c(C(=O)NCc3ccc4c(c3)CCCN4C)cnc12	91040734	AKRZDHPHFNBRGR-UHFFFAOYSA-N	362.433	2.315	10	10	FECE	
CCOC(=O)[C@H]1CCCN(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)C1	255067288	DOIZZWNOWUFOKD-VOCYLRNQSA-N	372.465	2.338	10	10	FECE	
C[C@@]1(CN2C(=O)CN(Cc3ccccc3O)C2=O)COc2ccccc2O1	530194660	HQEUOXBGDQTUJT-HXUWFJFHSA-N	368.389	2.387	10	10	FECE	
CC[C@H](NCCN1CCN(c2ccc(OC)cc2)CC1)c1nccn1C	271651297	BGJGMJYVFMWSGD-IBGZPJMESA-N	357.502	2.292	10	10	FECE	
CCOC(=O)c1cnn(C2CCN(C(=O)c3cccc(O)c3O)CC2)c1C	376026116	OKUIKJCEOOWAJZ-UHFFFAOYSA-N	373.409	2.257	10	10	FECE	
O=S1(=O)CCC(NCc2cc(Cl)cc(Br)c2O)CC1	708138038	GMGGSGRQKRAJAA-UHFFFAOYSA-N	368.680	2.475	10	10	FECE	
COCc1nc([C@@H]2COCCN2Cc2cc(Cl)c(C)cc2O)no1	825461824	ORAMBUXNFRHLMO-ZDUSSCGKSA-N	353.806	2.457	10	10	FECE	
CCOC(=O)C[C@@H](CO)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	820054986	UGPYVXBUKRJNAD-HNNXBMFYSA-N	362.401	2.277	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)Nc3nccc(N(C)C)n3)C2)cc1	824266140	WWPJUSYTKLDUSS-CQSZACIVSA-N	370.457	2.199	10	10	FECE	
CCC(C)(C)C(=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	900296729	RGGLKQBXJJWHEF-HNNXBMFYSA-N	359.470	2.010	10	10	FECE	
Cc1c(C(=O)NCc2ccc(N3CCSCC3)cc2)nn2c1OCCC2	822586078	HVOYKUSZFDLTCF-UHFFFAOYSA-N	372.494	2.457	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)C[C@H](C)[C@H]3CCCO3)cc2)CC1	832794311	LXOTZONMRVQUFA-OXJNMPFZSA-N	373.497	2.177	10	10	FECE	
C[C@]1(CNC(=O)NCc2cc(Br)ccc2O)CCCNC1	841972461	IETWBJJJBYOTAI-HNNXBMFYSA-N	356.264	2.344	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)c3cc(C)oc3C)C2)cc1	849416140	KOFACPMCOBKIHS-AWEZNQCLSA-N	350.440	2.462	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3C[C@@H]4[C@H](C3)C4(F)F)C2)cc1	845267603	HKAUYBOUILTLTK-VBNZEHGJSA-N	351.397	2.428	10	10	FECE	
CCON1CCC(CC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	855225783	QFHIVVJAGKDDRZ-QGZVFWFLSA-N	361.486	2.444	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)/C=C\CN(C)CC(F)(F)F)C2)cc1	855223551	BUUBHNBNBSCQAM-NQHOJNORSA-N	371.403	2.440	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc(N4CCCC4)nn3)C2)cc1	855228508	BIELHFGAMWAWEM-OAHLLOKOSA-N	367.453	2.094	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCO[C@@H]1CC1(F)F	850653543	PGPRXRKJWLVYBI-OAHLLOKOSA-N	370.396	2.061	10	10	FECE	
c1cnc(C2(NCc3ccc(N4CCOCC4)cc3)CCOCC2)nc1	923008098	BLIKUKPIGRONDS-UHFFFAOYSA-N	354.454	2.109	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1ccc(C(N)=O)nc1	858202226	PJPTURVFTSEYGX-UHFFFAOYSA-N	366.465	2.372	10	10	FECE	
C[C@H](NC[C@]1(CO)COCCN1Cc1ccccc1)c1ccc(F)cc1O	850555583	OWOHBSHWCAJSNA-KKSFZXQISA-N	374.456	2.445	10	10	FECE	
CO[C@]1(CO)CCCN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1	854176351	FFGXCVYKFCNHPZ-OXQOHEQNSA-N	363.502	2.175	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)NC[C@@H](C(=O)O)C1CCC1	854236968	ZQAPVTHOWPTHMW-GFCCVEGCSA-N	371.231	2.455	10	10	FECE	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cn(C)ccc2=O)cc1	931202462	GJOGXAFCITVFPC-SFHVURJKSA-N	369.465	2.273	10	10	FECE	
CCOC(=O)N1CCC[C@H](C(=O)NCc2ccc3cccnc3c2O)C1	862028595	DYVSZSCUDIHOPS-HNNXBMFYSA-N	357.410	2.425	10	10	FECE	
Cc1cc(C(=O)COC(=O)[C@@H]2CCNC(=O)C2)c(C)n1-c1ccc(F)cc1	761214051	WOSCREWBNLDTIB-CQSZACIVSA-N	372.396	2.485	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3nccn3c2)cc1	774146019	RECLDVNLRSVQQV-UHFFFAOYSA-N	365.437	2.435	10	10	FECE	
COc1nn(C)cc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	789316495	COSWBSDGAWVMGE-CQSZACIVSA-N	360.414	2.347	10	10	FECE	
CC(C)c1ncc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)[nH]1	1303721368	YXTRRPYUTIGHOM-UHFFFAOYSA-N	369.469	2.165	10	10	FECE	
C[C@@H](NC(=O)C(=O)NC1C[C@@H]2CC[C@H](C1)S2)c1ccc(N(C)C)cc1	1334158794	ACRFBXKNCSKKGE-JATKITJMSA-N	361.511	2.473	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC[C@H](F)C1	1261437422	CAPYJBWMGKMHOE-IHRRRGAJSA-N	353.390	2.217	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CC[C@@H](O)[C@@H](O)C3)c2C)cc1	1349554289	JFBPEGJVRPBCSR-ZMYBRWDISA-N	358.438	2.107	10	10	FECE	
COc1cc(C)cc(CNCc2cccc([C@]3(C)NC(=O)NC3=O)c2)c1O	1353583092	BUQLTGARJSSKHB-FQEVSTJZSA-N	369.421	2.054	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)NC[C@@]34CCCC[C@@H]3C4)C2)cc1	1351571526	SOIRIQRONZANAY-XFQAVAEZSA-N	371.481	2.087	10	10	FECE	
CNc1cc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)ccn1	1521238406	XUJBWLHEZYFVFW-HNNXBMFYSA-N	355.442	2.210	10	10	FECE	
CN1CCc2cc([C@@H](N)c3nn(C)cc3I)ccc21	2121173260	NXMYGDGHTCMENW-CYBMUJFWSA-N	368.222	2.065	10	10	FECE	
COCC1(CNCc2ccc(OC)cc2O)CN(C(=O)OC(C)(C)C)C1	2121532874	XBBFFOWAIFNDJV-UHFFFAOYSA-N	366.458	2.374	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1nc[nH]c2nccc1-2	1566849799	QFPFWNRPUGDMPZ-UHFFFAOYSA-N	374.784	2.084	10	10	FECE	
O=C(NCc1ccc(O)cc1O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1	1639444424	LDOIFHDOIPEUPC-NSHDSACASA-N	362.332	2.045	10	10	FECE	
CCN1C[C@H](NC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)CC1=O	1641191538	ZPJXKXDIKSINTI-MRXNPFEDSA-N	353.422	2.257	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H]1COCC[C@@H]1NC(=O)OC(C)(C)C	2124295329	NJZDDXMETIWZLZ-GJZGRUSLSA-N	364.442	2.280	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@]12CCN(C(=O)c1cc(O)c(O)c(O)c1)C2	2132403630	LGJDGWILOJDSNW-GOSISDBHSA-N	364.398	2.029	10	10	FECE	
O=C([C@H]1CCCn2ncnc21)N(Cc1ccccc1O)C[C@H]1CCCO1	1597090321	WFONLJKXBTYLJB-CVEARBPZSA-N	356.426	2.069	10	10	FECE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136242996	CLYQPCPDAVFRCN-NGOBNIPXSA-N	364.442	2.304	10	10	FECE	
CS(=O)(=O)CC1CC(NCc2cc(Br)cc(F)c2O)C1	1974458297	IIUGYMIXHDSNIL-UHFFFAOYSA-N	366.252	2.207	10	10	FECE	
C[C@H](O)c1ccc(N2C[C@@H]3[C@H](CCS3(=O)=O)C2)c(Br)c1	2145050185	PGYAIJDEURIATB-DRCTWCGVSA-N	360.273	2.126	10	10	FECE	
Nc1ccc(OCC(=O)NC2CC(NC(=O)OCc3ccccc3)C2)cc1	1999140310	GSQOSEIOWMCZQQ-UHFFFAOYSA-N	369.421	2.221	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NCc1cc2c(cc1O)OCO2	721943684	RZUIOPMQYHJRFX-WCQYABFASA-N	350.415	2.466	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1	2049785600	CJLQBGXEEQRGGS-MNUAXYBXSA-N	350.459	2.289	10	10	FECE	
COC[C@](C)(NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1O	2060435412	PSKVHUOSXDDGMD-SFHVURJKSA-N	352.431	2.280	10	10	FECE	
C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1CCOc1ccc(N)cc1	2106753443	IUYSTIRAUSYVRC-XUJVJEKNSA-N	359.392	2.425	10	10	FECE	
CCCN(CCNC(=O)OC(C)(C)C)c1cc2c(cc1N)OCC(=O)N2	2106877394	RHQXOZMQVCMSRX-UHFFFAOYSA-N	364.446	2.341	10	10	FECE	
CN1CCCc2cc([C@@H](N)C3(O)CC(NC(=O)OC(C)(C)C)C3)ccc21	2106948887	VQXDBHDLZVWVGL-RYZJOYRSSA-N	361.486	2.487	10	10	FECE	
CN1CCc2cc(CN[C@@H]3COC[C@H]3CNC(=O)OC(C)(C)C)ccc21	2097858598	QQQOMPTXKZPWFV-IAGOWNOFSA-N	361.486	2.308	10	10	FECE	
O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1	2294619930	NFCVKPXBKXLFJK-UHFFFAOYSA-N	352.306	2.174	10	10	FECE	
CCc1ccc(C=C2SC(=S)N(CCN3CCOCC3)C2=O)o1	2299300729	IZCPHPCRPBOXIA-UHFFFAOYSA-N	352.481	2.375	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N[C@@H](CO)Cc1c[nH]c2ccccc12	2308009295	MQFXUCZKBYMPJH-OAHLLOKOSA-N	352.390	2.312	10	10	FECE	
CC(C)(C)OC(=O)NCC[C@H](F)C(=O)N1CCc2cc(O)c(O)cc2C1	2341193692	HKKKVXGBJKVXIK-ZDUSSCGKSA-N	368.405	2.235	10	10	FECE	
CCN(C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1ccc2ccccc2c1	50679421	RIZNMTIPPUUNDT-ZRDIBKRKSA-N	363.417	2.304	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@@H](N2CC=CC2)C1	174032666	WTUZBGLFGODAID-LJQANCHMSA-N	372.538	2.396	10	10	FECE	
O=C(NCCOCC(F)F)c1cccc2c1C(=O)c1ccccc1C2=O	188436678	WKNTWDJLVFKBAG-UHFFFAOYSA-N	359.328	2.474	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)NS(=O)(=O)c1ccccc1	255765563	BJMJPLFFAQOIQW-FLIBITNWSA-N	372.446	2.042	10	10	FECE	
CC(C)(C)N1C[C@H](NC(=O)/C=C\c2ccc(N3CCOCC3)cc2)CC1=O	255311506	PDGSSNHFYDLPQU-UXHZXRBQSA-N	371.481	2.052	10	10	FECE	
Cc1cn2cc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)ccc2n1	271614828	NYPAPBFPVFZRPF-UHFFFAOYSA-N	365.437	2.306	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC(C2CCOCC2)C1	800704142	VBGFQYSBUQFHOW-UHFFFAOYSA-N	359.470	2.091	10	10	FECE	
Cc1cc(CCNC(=O)N2CCCNC(=O)C2)c(C)n1-c1ccccc1	726850378	IQIQFJPUTKPGGX-UHFFFAOYSA-N	354.454	2.168	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC[C@@H]1CCC[C@H]2C[C@@H]21	828496385	GCEFNNWLCNTVKY-LNLFQRSKSA-N	353.466	2.231	10	10	FECE	
CCS(=O)(=O)C[C@H](C)N(C)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-]	733192586	IAYANHCWVPFCIO-CRALRDPISA-N	370.427	2.040	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NCC[C@@](C)(O)COC)cc1F	836292195	ZKXQLKXPUZMUGZ-GOSISDBHSA-N	355.454	2.259	10	10	FECE	
C[C@H]1C[C@H](S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)CCO1	830056991	LPBXVRLITUTYFT-WMLDXEAASA-N	370.540	2.227	10	10	FECE	
COc1cnc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)nc1	845933885	OATIPXAUSUGXNJ-UHFFFAOYSA-N	369.425	2.229	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCCCNc3ccccn3)C2)cc1	852121160	JTJMCEIOTGENBV-MRXNPFEDSA-N	369.469	2.470	10	10	FECE	
CCO[C@@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(C)C	858669407	MMFWOUQEJNLHRK-FUHWJXTLSA-N	361.486	2.066	10	10	FECE	
CCOC(=O)C[C@H](C)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	852232072	MMCIDCTXOZWYMH-GJZGRUSLSA-N	363.458	2.162	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H](O)C(F)(F)C1	854177003	QREKPPBNLOEMSD-BBRMVZONSA-N	355.429	2.404	10	10	FECE	
COc1cc(OC)cc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1	753520192	FEXQCCNXIDNTJS-UHFFFAOYSA-N	354.340	2.118	10	10	FECE	
CN1CCN(Cc2ccccc2)[C@@H](CNCc2cc([N+](=O)[O-])ccc2O)C1	850414746	WRKMJPPCDIQJBH-IBGZPJMESA-N	370.453	2.206	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Cc3cnn4ccccc34)C2)cc1	855226448	SBHRFCKDIOOCDG-MRXNPFEDSA-N	350.422	2.281	10	10	FECE	
C[C@H](NC(=O)NCc1cccc(Br)c1O)c1ccnn1C	869179504	FEIICVNBJMRREB-VIFPVBQESA-N	353.220	2.449	10	10	FECE	
CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NCc2ccc3cccnc3c2O)C1	862026265	JUQUXBAHFLDRMT-AWEZNQCLSA-N	371.393	2.043	10	10	FECE	
CCOC(=O)c1c(NC(=O)C[C@H]2CCNC2=O)sc2c1CCCC2	887578110	IIXZEMRHBQBNPG-SNVBAGLBSA-N	350.440	2.268	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCN(CCCCO)CC2)c1	781913674	VGQTUCVLCURNRF-UHFFFAOYSA-N	357.292	2.353	10	10	FECE	
Nc1cc(Br)ccc1C(=O)NCCc1ccc(O)c(O)c1	1137464537	DTJSVUREHIYHEI-UHFFFAOYSA-N	351.200	2.415	10	10	FECE	
COC(=O)/C=C/c1ccc(N2C[C@@H](C)[C@H](CC(=O)OC)C2)c([N+](=O)[O-])c1	895619018	DURQFURRERFHBF-RCOIXESOSA-N	362.382	2.416	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NCc2cc(C3CC3)no2)cc1	897489302	WTPDNBSPUFQHFP-UHFFFAOYSA-N	370.453	2.331	10	10	FECE	
COc1ccc(N2CCC(N[C@H](Cc3ccncc3)C(=O)O)CC2)cc1	1327183506	OKASBPJSGFVCEF-LJQANCHMSA-N	355.438	2.345	10	10	FECE	
O=C(Cc1ccnc(F)c1)NCc1ccc(N2CCC(CO)CC2)cc1	1293929154	RHTDUEVUBDFJDR-UHFFFAOYSA-N	357.429	2.288	10	10	FECE	
CCCc1[nH]nc(C(=O)NCc2ccc3cccnc3c2O)c1[N+](=O)[O-]	1451958092	VTJRNSLRELHQST-UHFFFAOYSA-N	355.354	2.454	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(Cc2ccncc2)n1CC(C)(C)O	1298363786	LMXHBOIRSGOTIN-UHFFFAOYSA-N	367.453	2.377	10	10	FECE	
C[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO)c1cc(O)ccc1O	2116266659	PWJBBMYLSIPEGC-XEZPLFJOSA-N	366.458	2.366	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)CCC[C@@]2(C)NC(=O)NC2=O)cc1	1540537806	LBOJAOPXZAYNRS-HXUWFJFHSA-N	374.485	2.260	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)Nc2ccccc2O[C@@H]2CC(=O)N2)cc1	1638455325	AJPZWGVPXQYQQE-OAHLLOKOSA-N	353.338	2.326	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H](c3nnc4n3CCC4)C2)cc1	1632991030	PUOADPKBZYFQEN-ZDUSSCGKSA-N	367.413	2.407	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)/C=C\c2ccc(S(C)(=O)=O)o2)c1	1595806386	JBSAXBBTQDPKIQ-UIJKISKDSA-N	365.407	2.288	10	10	FECE	
COC(=O)c1cnc(CNC(=O)N[C@@H](C)c2cc(OC)ccc2O)s1	1676096401	HMTWNMOFRUBFQH-VIFPVBQESA-N	365.411	2.204	10	10	FECE	
Cc1cc(CCNC(=O)N[C@@H](CO)[C@H]2CCOC2)c(C)n1-c1ccccc1	1684318911	SCHRYSUWEKOWDI-ICSRJNTNSA-N	371.481	2.333	10	10	FECE	
CC(C)(C)OC(=O)N1CC=C[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1	1964864208	NVGIJAUHJZTIRV-AWEZNQCLSA-N	362.426	2.180	10	10	FECE	
O=C(NN1C(=O)/C(=C\c2ccccn2)SC1=S)c1ccccc1O	5804481	UMYKVVUPUJELQM-UKTHLTGXSA-N	357.416	2.333	10	10	FECE	
Cc1cc(NC(=O)[C@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)no1	16387294	JFFHVSQEZLVCEF-HNNXBMFYSA-N	358.442	2.279	10	10	FECE	
CCN1CCN(CCCN[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1	154214109	SXYZLRULEOPSSA-IBGZPJMESA-N	360.546	2.201	10	10	FECE	
CCN[C@@H]1C(=O)Nc2cc(N(C)[C@@H]3CCOC3)c(Br)cc21	159746795	VEBGWOBDAMALFY-OTYXRUKQSA-N	354.248	2.277	10	10	FECE	
C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2cccc(O)c2O)C1	1973749319	WJMKZHHJWWOFJI-VHSXEESVSA-N	360.332	2.017	10	10	FECE	
CNCc1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)c(Br)c1	2148774187	MREHJPOSUOULJH-LBPRGKRZSA-N	361.305	2.039	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NCc3ccc(O)c(O)c3O)[C@H]1C2	2038338947	DLWIQZPNBIVTRD-WCFLWFBJSA-N	350.415	2.291	10	10	FECE	
Nc1ccc(O)c(CN2CC[C@H](N3CCN(Cc4ccccc4)CC3)C2)c1	312487342	ORLPMZNIRGXTLM-NRFANRHFSA-N	366.509	2.367	10	10	FECE	
CN(C)c1ccc(CN=c2[nH]ccnc2I)cc1	2054560994	WZAPEXFSXKPIJG-UHFFFAOYSA-N	354.195	2.181	10	10	FECE	
COc1ccc(O)c([C@H](C)NC[C@](C)(CO)NC(=O)OC(C)(C)C)c1	2060805869	IWXLOGMPHUILLW-KPZWWZAWSA-N	354.447	2.327	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)COc2ccc(N)cc2)CN(C(=O)OC(C)(C)C)C1	2106257137	GXPNJKPNTAAQOE-UKRRQHHQSA-N	363.458	2.409	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)COc2ccc(N)cc2)[C@H](F)C1	2106228159	HOOUERYLUDLLDF-HUUCEWRRSA-N	367.421	2.111	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-])[C@H]1CCOC1	2259903826	YDZKAJREOHBNDP-XQQFMLRXSA-N	353.423	2.360	10	10	FECE	
N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OC1CCN(Cc2ccccc2)CC1	2287662636	JHCHAYKBAGUORR-SFHVURJKSA-N	370.449	2.175	10	10	FECE	
COc1cc(C=C2C(=O)NC(=O)N(C3CCCC3)C2=O)cc(OC)c1OC	2297620061	GKOADWVCOZLKFN-UHFFFAOYSA-N	374.393	2.117	10	10	FECE	
CC(=O)N(C(=O)C(=O)Nc1ccc(F)c(F)c1F)c1ccc(N)cc1	170319126	RSAWMNQOFDKFNY-UHFFFAOYSA-N	351.284	2.204	10	10	FECE	
CNC(=O)CC1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CC1	74777864	AHCPQYJTENNONV-GQCTYLIASA-N	361.398	2.134	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3C[C@@H](OC)C[C@@H]3C(=O)O)c2C)cc1	262143463	MITZHCHRRRPGPH-FUHWJXTLSA-N	372.421	2.417	10	10	FECE	
CCOC(=O)CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	367176127	GUNFFHDVESWYBW-CQSZACIVSA-N	354.834	2.079	10	10	FECE	
Nc1ccc(CC(=O)N2CCC[C@H]3CC[C@@]32CNC(=O)C(F)(F)F)cc1	2162978457	FIFNVEMTZZIFLQ-SUMWQHHRSA-N	369.387	2.261	10	10	FECE	
CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)n1	819589133	QUXMUYANKVACSU-CYBMUJFWSA-N	373.413	2.076	10	10	FECE	
COC(=O)c1cc(S(=O)(=O)NCc2ccccc2O)c(C)cc1F	813672284	YLTSRRWZAOPEAK-UHFFFAOYSA-N	353.371	2.105	10	10	FECE	
CC(C)(C)n1cc(/C=C2/OCCn3c2nc(Br)c3C=O)nn1	901575160	MNSQQAURVPPOMU-IZZDOVSWSA-N	366.219	2.333	10	10	FECE	
N[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)(F)F	830656608	CGVSXCZGUJDNKP-SKDRFNHKSA-N	367.318	2.263	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCCN(CC(=O)N3CCCC3)CC2)cc1	835026180	RPTLZSKWXWAMLZ-FNORWQNLSA-N	370.541	2.396	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)Cc3ccc(C)cc3)CC2)cc1	742926821	BMMMZUVGRWCKCD-UHFFFAOYSA-N	367.493	2.485	10	10	FECE	
Cn1cc(C[C@@H]2CCC[C@@H]2N2C(=O)CN(Cc3ccccc3O)C2=O)cn1	849363750	OSESCMLETCUPTP-RDJZCZTQSA-N	368.437	2.301	10	10	FECE	
COc1cc(Br)cc([C@H](C)NCC2(O)CCN(C)CC2)c1O	848528061	JLFPFDCUYLHECK-NSHDSACASA-N	373.291	2.271	10	10	FECE	
CO[C@@]1(C)C[C@H]1NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	852688028	QOBHGBFWNXEUCL-CTNGQTDRSA-N	372.513	2.195	10	10	FECE	
C[C@H](NC(=O)N1CC[C@@H]2COC[C@H]2C1)c1ccc(N2CCOCC2)cc1	852012554	LXRDXVGHCYQBOH-CGTJXYLNSA-N	359.470	2.262	10	10	FECE	
CS(=O)(=O)C[C@@H](O)CN[C@H](CCc1ccccc1)c1ccccc1O	927026844	RCPHOYCZRARBDL-FUHWJXTLSA-N	363.479	2.061	10	10	FECE	
C[C@@H](NC[C@@H]1CN(Cc2ccncc2)CCO1)c1cc([N+](=O)[O-])ccc1O	858565470	QKGSQKKOYRWKLP-RHSMWYFYSA-N	372.425	2.247	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@@](C)(O)c3ccco3)C2)cc1	852454482	PDVRCVFTNDRYEB-AUUYWEPGSA-N	359.426	2.074	10	10	FECE	
C[C@H](NC(=O)c1ccc2nnn(C)c2c1)c1ccc(N2CCOCC2)cc1	754169587	MNNGTXFWNULAEZ-AWEZNQCLSA-N	365.437	2.296	10	10	FECE	
COc1ccc(N(CC(=O)O)CC(=O)NCC(F)(F)C(C)(C)C)cc1	853010184	XQWWDTBKVYEMAZ-UHFFFAOYSA-N	358.385	2.384	10	10	FECE	
COC[C@]1(C)CN(Cc2cc(Br)cc(OC)c2O)CCO1	862551758	PGZOPNPPSHJTHF-HNNXBMFYSA-N	360.248	2.401	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N[C@@H]1C[C@@H]2CCC[C@@H]21	1119799548	XKKXBGNYDRPDGZ-RYQLBKOJSA-N	373.522	2.161	10	10	FECE	
Cc1c(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cccc1N(C)C	785302738	FPMCCRSNMLWMPJ-GFCCVEGCSA-N	371.437	2.158	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3cccc4oc(O)nc34)cc2)CC1	881853095	JCOVYXLTZXYXHX-UHFFFAOYSA-N	366.421	2.215	10	10	FECE	
Cc1nc[nH]c1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	1136310998	CMIPVSAKEQBJGV-CHWSQXEVSA-N	360.433	2.330	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)c3cnn(C)n3)ccc21	791843086	OSHFXWKGCZYRDP-UHFFFAOYSA-N	370.409	2.073	10	10	FECE	
CN1CCN(c2ccc(CN3CC[C@@](CO)(C(F)(F)F)C3)cc2)CC1	895837184	RZYJTBXWXVIVLF-QGZVFWFLSA-N	357.420	2.185	10	10	FECE	
O=C(N[C@H]1CCCc2c1cnn2CCO)c1cc2cc(O)c(O)cc2s1	1153471886	DFCAXGOBNMERFH-LBPRGKRZSA-N	373.434	2.309	10	10	FECE	
CNC(=O)[C@H]1CCC[C@@H]1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1	1312318838	ZINNIFYUNJIQCF-ROUUACIJSA-N	358.486	2.343	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3cnn(C)c3C)C2)cc1	1328507041	MFQYSRUVROMCQJ-ZFWWWQNUSA-N	357.458	2.376	10	10	FECE	
COCc1ccc([C@H]2CCCN2C(=O)C(=O)N2Cc3cccc(O)c3C2)o1	1329482783	GMCFERWMWWXIMG-MRXNPFEDSA-N	370.405	2.338	10	10	FECE	
O=C(C(=O)N1CCCO[C@H](c2ccccc2)C1)N1Cc2cccc(O)c2C1	1331959405	KLMXIJNXVFUIFN-IBGZPJMESA-N	366.417	2.225	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1CCCO[C@H]1CCOC1	1613922975	AJDAQGWWCQLZDB-INIZCTEOSA-N	360.458	2.378	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1ccc(I)cn1	1558175379	OOMTYSVBXPHNSY-UHFFFAOYSA-N	370.146	2.027	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC2CCN(C3CCOCC3)CC2)cc1	1645199578	VNHJZKHRSSLMIM-UHFFFAOYSA-N	359.430	2.222	10	10	FECE	
C[C@H](c1ccccc1)N(CCO)CC(=O)NCc1ccc(N(C)C)cc1	1652947893	LNPLDRKHGFPTPW-QGZVFWFLSA-N	355.482	2.424	10	10	FECE	
C[C@@H](NCCCCN1CCC[C@@H]1CO)c1ccc(N2CCOCC2)cc1	160662704	YQEDLEZJUHMFDZ-WIYYLYMNSA-N	361.530	2.411	10	10	FECE	
COC(=O)C1(NC(=O)OC(C)(C)C)CC(NCc2ccc(F)cc2O)C1	1967845590	CEPPELRPIXCXHA-UHFFFAOYSA-N	368.405	2.220	10	10	FECE	
C[C@@H](NCc1cccc(Br)c1O)[C@@H]1CCCS(=O)(=O)C1	2146102111	CCRMYMOABQKRAL-ZYHUDNBSSA-N	362.289	2.458	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CC1(c2cc(O)c(O)c(O)c2)CC1)C(=O)O	1952089816	KIETZXJBFXAOSR-JTQLQIEISA-N	353.371	2.203	10	10	FECE	
CS(=O)(=O)C[C@@H]1CCCN1c1cc(Br)c(CN)cc1F	2151273318	OVCNDGJODOEPCH-JTQLQIEISA-N	365.268	2.060	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@](C)(CC(=O)C(=O)C[C@H]1C[C@H](N)C1)C(F)F	2059444236	LUGQZHWOQDQBFD-CZIZLABSSA-N	362.417	2.438	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)C1	2060639365	HFJMEBNFSVMWDA-CHWSQXEVSA-N	353.423	2.171	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)N1CC[C@@H](N=[N+]=[N-])C1	2060610992	OBWYREISNQGKHN-JHJVBQTASA-N	353.423	2.170	10	10	FECE	
CCOC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CN=[N+]=[N-])CC1	2060634971	GDLSLPORZYKXTJ-ZDUSSCGKSA-N	355.439	2.465	10	10	FECE	
COC[C@](C)(CC(=O)N1CC[C@@H](CN=[N+]=[N-])C1)NC(=O)OC(C)(C)C	2060638832	BFZVMWCOCMRDDT-LRDDRELGSA-N	355.439	2.465	10	10	FECE	
COc1ccc(CNC[C@H]2CO[C@H](CNC(=O)OC(C)(C)C)C2)c(O)c1	2102870988	SBQVOWYDVYFQFX-BBRMVZONSA-N	366.458	2.420	10	10	FECE	
Nc1ccc(OCCNC(=O)Cc2cnn(Cc3ccccc3)c2)cc1	2093033025	DEPWVSYMYKXVGQ-UHFFFAOYSA-N	350.422	2.251	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])C1	2278989697	SDAHAEBXFKGLQI-FJZAXULXSA-N	365.434	2.360	10	10	FECE	
CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(O)cc3)c2C)C(=O)NC1=S	2297366112	HGUQTMJZCSVXKC-UHFFFAOYSA-N	369.446	2.446	10	10	FECE	
CCOc1ccc(C=C2SC(=S)N(CCOCCO)C2=O)cc1	2323767955	RJWYFCRIEHTESW-UHFFFAOYSA-N	353.465	2.295	10	10	FECE	
CC[C@@H](CO)N1C(=O)C(=Cc2ccc3c(c2)OCCO3)SC1=S	2323807810	CNYSDOJZNZVCAD-NSHDSACASA-N	351.449	2.430	10	10	FECE	
COc1cc([C@@H]2N(C(=O)OC(C)(C)C)C[C@@H]3C[C@]23CN)cc(O)c1O	2308893913	MMAXHNYBYHUPBV-GEWABHDNSA-N	350.415	2.363	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(NCc3ccc(O)c(O)c3)CO[C@H]1C2	2312833020	UUIOVMRRMUEGBX-HNJNHCNJSA-N	350.415	2.012	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)OC1	2315992162	IAQCSUPYOGDEER-OLZOCXBDSA-N	355.439	2.465	10	10	FECE	
CN1C(=O)/C(=C\c2c(N3CCCC3)nc3ccccn3c2=O)SC1=S	33437298	NYFCYAGZHNIGOT-ZRDIBKRKSA-N	372.475	2.126	10	10	FECE	
CCN(CC)c1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)ncn1	242962946	HJYQVKVXNTXZLW-UHFFFAOYSA-N	369.469	2.294	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC(c3cc(N)[nH]n3)CC2)c([N+](=O)[O-])c1	267774842	XQAREGWNONYUMU-HWKANZROSA-N	371.397	2.470	10	10	FECE	
C[C@@H]1C[C@H](S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCO1	295439718	DNMVCAIUQYMGDZ-HYVNUMGLSA-N	369.483	2.271	10	10	FECE	
COc1ccc(O)c(CNS(=O)(=O)c2cccnc2C(F)(F)F)c1	805012215	HLNWIFGTZLIPJA-UHFFFAOYSA-N	362.329	2.293	10	10	FECE	
COC[C@H](NC(=O)NCc1cc(Br)ccc1O)[C@H]1CCCO1	805390215	FYDNZFYDEZEWDC-GXTWGEPZSA-N	373.247	2.148	10	10	FECE	
Cc1cc(COCC(=O)NCc2cccc(Br)c2O)on1	801253261	TZGVCWLJGBHQLF-UHFFFAOYSA-N	355.188	2.284	10	10	FECE	
COC(=O)c1coc(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	819588477	MTGZGYNFKONSNF-ZDUSSCGKSA-N	358.394	2.331	10	10	FECE	
Nc1ccc(Cc2nc(C(=O)NC3(c4nn[nH]n4)CCCC3)cs2)cc1	817945370	AJQLJODYQKIDNU-UHFFFAOYSA-N	369.454	2.029	10	10	FECE	
C[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCCO1	906856008	CICLPDHZCWDBLQ-FZKQIMNGSA-N	350.434	2.218	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)Nc3cnc(N(C)C)nc3)C2)cc1	824253711	ZXGQOUNFWIFCIG-AWEZNQCLSA-N	370.457	2.199	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2nncn2C)C1	581981568	ABCSSWYFIRWRGN-UHFFFAOYSA-N	352.442	2.175	10	10	FECE	
CCC[C@]1(C)C(=O)NCCN1C(=O)/C=C\c1ccc(N2CCOCC2)cc1	588550813	GDAAOXXLMSUSDE-DFOOEPSASA-N	371.481	2.054	10	10	FECE	
CNC(=O)Cc1nc(CN(C)CCN(C)c2ccc(OC)cc2)cs1	844401254	LDNVXILNAJERQJ-UHFFFAOYSA-N	362.499	2.008	10	10	FECE	
C[C@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)c1ccc(N2CCOCC2)cc1	745779183	NIUHJYNSLLUYKF-PXNSSMCTSA-N	370.497	2.240	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)NCc1cc(Cl)ccc1O)C2	845271641	ZIXCHISDAIEEHF-GDLCADMTSA-N	367.833	2.464	10	10	FECE	
COC1(CS(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)CCOCC1	844664953	YDCVIYUGJXBNET-UHFFFAOYSA-N	373.471	2.255	10	10	FECE	
Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)c2nccn2c1	858725167	ZUHLATDVVCSUNW-UHFFFAOYSA-N	350.422	2.409	10	10	FECE	
C[C@H](C(=O)N1CCCC1)N1CCN(Cc2cc3c(cc2O)CCC3)CC1	755940402	WAICKSMQUSOJBM-MRXNPFEDSA-N	357.498	2.009	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cc(C(F)(F)F)nn3C)C2)cc1	855226248	OPKZYSJGSMKYCD-NSHDSACASA-N	368.359	2.456	10	10	FECE	
CC(C)C[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)NCCN(C)C	756859582	SZFQJRUNWFQXCO-CJNGLKHVSA-N	366.462	2.044	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])C2)cc1	855234324	XGQDUBVBYVKJAE-LBPRGKRZSA-N	373.413	2.459	10	10	FECE	
COC(=O)c1cccc(CC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	855233638	JNZMUUCSISZABS-KRWDZBQOSA-N	368.433	2.419	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cc(C(F)(F)F)n[nH]3)C2)cc1	855223021	AZUPKLZXBIOWOJ-JTQLQIEISA-N	354.332	2.446	10	10	FECE	
CN(C)c1ccc(CNCC(C)(C)CS(N)(=O)=O)c(C(F)(F)F)c1	865814510	WPIZEWHBTOFZQR-UHFFFAOYSA-N	367.437	2.176	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cn4c(n3)C[C@H](C)CC4)CC2)cc1	864470439	IYCJFOUDIVHKQW-OAHLLOKOSA-N	354.454	2.436	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)NCC3CCCCC3)CC2)cc1	774493884	ACWJXXYWKGFFJH-UHFFFAOYSA-N	373.497	2.477	10	10	FECE	
CNC(=O)CCOC1CCN(Cc2cc(Br)ccc2O)CC1	770285578	DZVDNPQPAHUOLO-UHFFFAOYSA-N	371.275	2.272	10	10	FECE	
CC(=O)N1CC[C@@H](c2nc(-c3cn(-c4ccc(N)cc4)nn3)cs2)C1	887541257	DLZYFBCRIRMTJS-GFCCVEGCSA-N	354.439	2.309	10	10	FECE	
O=S(=O)(Cc1noc(-c2ccc(-n3cccc3)c(F)c2)n1)NC1CC1	771640191	IMWFGYLBXABTFG-UHFFFAOYSA-N	362.386	2.248	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNc3nccc4nc[nH]c34)cc2)CC1	893403323	YGYUUSDUYNGMBB-UHFFFAOYSA-N	350.426	2.239	10	10	FECE	
C[C@@H](NC(=O)CN1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O	1877569151	YKMBBGOUVGMRNV-KGLIPLIRSA-N	363.458	2.168	10	10	FECE	
Cc1cc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)nn1[C@@H](C)C1CC1	784620438	CYPKGCWOJBHPIM-AWEZNQCLSA-N	369.469	2.483	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)COc3ccsc3)cc2)C1	799912991	DJNXNWZFZDRALW-OAHLLOKOSA-N	373.478	2.145	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cn(C)nc2C(C)C)c1	796790860	PSRHLDUWXXDGJY-NSHDSACASA-N	360.414	2.074	10	10	FECE	
C[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)CCN1C(=O)OC(C)(C)C	1885174201	UPVKZEDJUGZSKI-NSHDSACASA-N	366.414	2.275	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@]2(CCCOC2)C1	1327064483	CLSXYBYMUXWTMV-HXUWFJFHSA-N	360.454	2.160	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCSC(C)(C)C2)cc1F	1334613726	JANABYHVZFHGGD-ZDUSSCGKSA-N	367.490	2.298	10	10	FECE	
C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1)c1ccccc1O	1471194315	ISIKBSSWCYUXFE-NSHDSACASA-N	366.414	2.273	10	10	FECE	
Oc1cccc(CNC[C@@]23CN(Cc4ccccc4)C[C@@H]2CCO3)c1O	2118580886	GXEOREXUPJEPJY-GHTZIAJQSA-N	354.450	2.479	10	10	FECE	
Cc1cc(C(=O)Nc2nn[nH]n2)c(C)n1-c1ccc(Br)cn1	1618460591	VGUBJECBYXMYTB-UHFFFAOYSA-N	362.191	2.017	10	10	FECE	
CO[C@@H](C)CN[C@@H]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1	1707121271	AJISKVIHGZIAFQ-HEHGZKQESA-N	361.446	2.372	10	10	FECE	
O=C(NCCc1nnc2n1CCCC2)c1cc2cc(O)c(O)cc2s1	1566759167	OASPHNRVVXOHLB-UHFFFAOYSA-N	358.423	2.213	10	10	FECE	
COc1cc(N)c(N2C[C@H](OC)[C@H](NC(=O)OC(C)(C)C)C2)cc1OC	2122658059	XGFWSHHUPGHTIW-WBMJQRKESA-N	367.446	2.014	10	10	FECE	
CC(C)n1ncc2cc(/C=C\C(=O)NCc3cccc(O)c3O)c(=O)[nH]c21	1644708929	VPEPJSYGRXAUOQ-SREVYHEPSA-N	368.393	2.046	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)NCCc1ccc(O)c(O)c1	2124027665	KGBQGNBJAYSJLG-STQMWFEESA-N	368.405	2.104	10	10	FECE	
O=C(NN1C(=O)/C(=C\c2ccccn2)SC1=S)c1cccc(O)c1	13161874	BIZGNVPCNDASCW-UKTHLTGXSA-N	357.416	2.333	10	10	FECE	
COCCOC(=O)CCNCc1cc(Cl)cc(Br)c1O	1857870820	XJDNJUAFUBPOEF-UHFFFAOYSA-N	366.639	2.477	10	10	FECE	
CC(C)(C)OC(=O)NCCc1n[nH]c(=NCc2cc(F)cc(F)c2O)o1	2138787580	WQNYIOPQABKIRU-UHFFFAOYSA-N	370.356	2.155	10	10	FECE	
O=C(OCc1ccccc1)N1CCOC[C@H](NCc2ccc(O)cc2O)C1	1946793293	MHHDUAAAIRCAOI-QGZVFWFLSA-N	372.421	2.225	10	10	FECE	
CC(C)(C)OC(=O)NCC[S@](C)(=O)=NCCOc1ccc(N)cc1	1999474943	LNTIGUQYMYRIQB-DEOSSOPVSA-N	357.476	2.270	10	10	FECE	
C[C@H](N)c1ccc(N2CCS(=O)(=O)[C@H](C)[C@H]2C)c(Br)c1	2170277413	PLJYPANFTBKRBU-HBNTYKKESA-N	361.305	2.481	10	10	FECE	
OCCN1CCC[C@@H](NCc2cc(Cl)cc(Br)c2O)C1	708124951	KCZYAKXLLFOPPM-GFCCVEGCSA-N	363.683	2.354	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(F)cc(F)c2O)[C@H](O)C1	883196766	VRYRUZSNEXGGSM-UONOGXRCSA-N	358.385	2.130	10	10	FECE	
COC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1	2060637361	KGCRLOOZBGGFPQ-FZWSLVFFSA-N	353.423	2.218	10	10	FECE	
COc1cc(Cl)cc(CNC[C@@](C)(CO)NC(=O)OC(C)(C)C)c1O	2060807871	USSJTOWGEOELDK-KRWDZBQOSA-N	374.865	2.420	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CNC(=O)CCOc1ccc(N)cc1)C1CC1	2106231215	PFSSLCNBGUMCMC-MRXNPFEDSA-N	363.458	2.457	10	10	FECE	
CN1CCc2cc([C@H](N)[C@H](O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)ccc21	2106849344	UUANINMSQMWEPT-BPQIPLTHSA-N	361.486	2.297	10	10	FECE	
CN1CCc2cc([C@H](N)[C@@]3(O)CCC[C@@H]3NC(=O)OC(C)(C)C)ccc21	2106849549	XKTDVUGQHSDNSL-ABSDTBQOSA-N	361.486	2.487	10	10	FECE	
CN[C@@H](c1ccc(N(C)C)cc1)c1cn(C)nc1I	2107778582	HMQDCWFQXMZFDS-ZDUSSCGKSA-N	370.238	2.400	10	10	FECE	
CCN[C@@H](c1ccccc1O)[C@H](NC(=O)OC(C)(C)C)c1cn(C)nn1	2110395844	AKLVEXQPHBGMFQ-JKSUJKDBSA-N	361.446	2.437	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CNCc2cc3c(cc2O)OCO3)C1	2092528347	DFKWTQHVAKFPLK-DJJJIMSYSA-N	362.426	2.468	10	10	FECE	
COc1ccc(Br)c(CN2CCS[C@H](C(=O)O)C2)c1O	2236044581	PBYWSUKKPCVIGF-NSHDSACASA-N	362.245	2.165	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@]2(COc3nnc(=N)[nH]n3)CCCC[C@H]12	2226141047	HGXKGCJNEUVISH-SJCJKPOMSA-N	364.450	2.018	10	10	FECE	
COc1ccc(N2CCN[C@@H](C3CC3)C2)cc1I	2254508996	PFTHHGHXATXLKV-CYBMUJFWSA-N	358.223	2.488	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)NCCCN=[N+]=[N-])C[C@@H]2OCCC[C@@H]21	2260007438	ZHPAEXUXRIWLLS-MQIPJXDCSA-N	353.423	2.265	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2OCC[C@]2(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2335136372	SDAHAEBXFKGLQI-ZHRONYKTSA-N	365.434	2.360	10	10	FECE	
OCc1ccc(N2CCN(c3nncs3)CC2)cc1Br	2362057939	QNYRAYLQBIVTQC-UHFFFAOYSA-N	355.261	2.120	10	10	FECE	
C[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCCO1	80010412	KTMAOIQGOLLWAG-KXBFYZLASA-N	361.486	2.262	10	10	FECE	
O=C1OC(c2cccnc2)=N/C1=C/c1ccc(N2CCOCC2)c(F)c1	130163316	QNXODXXKHMNKRQ-LFIBNONCSA-N	353.353	2.402	10	10	FECE	
O=C(CCOC[C@@H]1CCCO1)NCc1cc(Br)ccc1O	804739542	JCSKLBLVCXAAGO-ZDUSSCGKSA-N	358.232	2.357	10	10	FECE	
CN(C(=O)c1ccn(-c2ccc(N)cc2)n1)C1CN(C(=O)OC(C)(C)C)C1	2163058066	HMEJYGUPBVOOJG-UHFFFAOYSA-N	371.441	2.146	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)C3C[C@H]4CNC[C@@H](C3)C4=O)cc2)CC1	828988523	UWSQCFNNWVLOSR-YQQQUEKLSA-N	369.509	2.354	10	10	FECE	
Cc1cc(CC(=O)NCC(=O)NCC(F)(F)F)c(C)n1-c1ccccc1	822585046	PUMGWYXDEJZFMX-UHFFFAOYSA-N	367.371	2.431	10	10	FECE	
CCc1cnc(N2CCN(C(=O)c3c(F)ccc(O)c3O)CC2)s1	826129081	ZYPZSXRYETVNDX-UHFFFAOYSA-N	351.403	2.218	10	10	FECE	
C[C@H](NC(=O)c1ccc2c(n1)OCCO2)c1ccc(N2CCOCC2)cc1	846836409	PYCLFSXCOHUORV-AWEZNQCLSA-N	369.421	2.180	10	10	FECE	
COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1c(O)cc(C)cc1Cl	840921493	TZBWVDRQWXFZBG-XOUADPBQSA-N	367.829	2.279	10	10	FECE	
COCc1cc(O)ccc1NS(=O)(=O)c1cc2c(cc1C)OCO2	840918726	XBKZEGWRNJJXBL-UHFFFAOYSA-N	351.380	2.377	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCO[C@@H](CC(F)(F)F)C3)cc2N1	853979197	NLDWBHUTESJWHB-QMMMGPOBSA-N	361.276	2.083	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Cc3ccc([S@@](C)=O)cc3)C2)cc1	855223042	BHXNRVFVBCPRSL-YHAMSUFESA-N	372.490	2.370	10	10	FECE	
COc1cc(N2CCN(CCO[C@@H]3CC3(F)F)CC2)cc(OC)c1OC	851936696	UORMBZZGPPBBAN-MRXNPFEDSA-N	372.412	2.259	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CN3Cc4ccccc4C3=O)C2)cc1	855231889	YBZLIEPOLJDWTD-MRXNPFEDSA-N	365.433	2.046	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CCc3ccc(C(N)=O)cc3)C2)cc1	855223913	CSHJHUXQKHERPU-KRWDZBQOSA-N	367.449	2.122	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cnc4cc(C)nn4c3C)C2)cc1	855233505	ZNRMLKXUFSFDQH-OAHLLOKOSA-N	365.437	2.363	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)NCCc3cncc(C)n3)C2)cc1	852388096	XEAUKPRWMLATJZ-INIZCTEOSA-N	369.469	2.162	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N(CC)[C@H]2CCN(C)C2)cc1	850685808	GROYRICROPFXBG-IBGZPJMESA-N	374.529	2.044	10	10	FECE	
COc1ccc(N2CCCN(C(=O)[C@]3(CC(C)C)CCNC3=O)CC2)cc1	864950509	YIAYEDIRKGTRIK-NRFANRHFSA-N	373.497	2.286	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)c1ccc(N2CCOCC2)nc1	862029358	WFYIATCMYFEBMH-UHFFFAOYSA-N	364.405	2.102	10	10	FECE	
CC(C)[C@@H](C)CNC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1	789854662	JRXQPKVYOVIWMB-HNNXBMFYSA-N	363.527	2.264	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC(C(=O)OC(C)(C)C)=NO1	1136742833	APUHGZVDAQFGPD-MRXNPFEDSA-N	361.442	2.164	10	10	FECE	
O=[N+]([O-])c1ccc(O)c(CNCc2ncn(Cc3cccc(F)c3)n2)c1	780590703	UFDKIJWEHACBHT-UHFFFAOYSA-N	357.345	2.369	10	10	FECE	
CCOC(=O)CN(Cc1nc([C@@H](C)OCC)no1)Cc1ccccc1O	1171390885	RULVMEZXUJJXKS-CYBMUJFWSA-N	363.414	2.438	10	10	FECE	
Cn1cc(C(=O)Nc2ccc(OC(=O)Cc3ccc(O)c(O)c3)cc2)cn1	1443063232	HJFNGSNZNNYEDH-UHFFFAOYSA-N	367.361	2.232	10	10	FECE	
CS(=O)(=O)c1ccc(C(=O)NCc2ccc3cccnc3c2O)s1	1299725906	OEVZUGHANAMKEG-UHFFFAOYSA-N	362.432	2.335	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)[C@@H](O)CCc2ccccc2)N(C)C)cc1	1472280552	GFCQLQQLHINHHN-SFTDATJTSA-N	369.509	2.465	10	10	FECE	
Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2cccc(O)c2O)c1C	1623371380	QOJRZACGPMBJDU-UHFFFAOYSA-N	364.423	2.217	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cccc2nccn12	1638529185	HNYKQICHPZHJMD-UHFFFAOYSA-N	353.378	2.245	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCN2C2CCCC2)N(C)C)cc1	1648477841	GVZMIYYYNPYJIN-PMACEKPBSA-N	358.530	2.488	10	10	FECE	
CN1C(=O)CN(C(=O)/C=C\c2cn(C)cn2)c2ccc(C(F)(F)F)cc21	1585906574	VFLHHFOPPKHHLM-XQRVVYSFSA-N	364.327	2.462	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CC1	1751433384	YTUFFOLOULUUNS-KRWDZBQOSA-N	368.485	2.251	10	10	FECE	
CC[C@@H]1SC(=S)N(CC(=O)Nc2cc(OC)ccc2OC)C1=O	11635656	AQYUQPABTYYPCI-LBPRGKRZSA-N	354.453	2.281	10	10	FECE	
CC[C@@H]1SC(=S)N(CC(=O)Nc2ccc(C(=O)OC)cc2)C1=O	11635684	VPMAVMWYGMDWLZ-NSHDSACASA-N	352.437	2.051	10	10	FECE	
Cc1cccc(CNC(=O)C2(O)CCN(C(=O)OC(C)(C)C)CC2)c1O	2139750334	GRFABGDMHGFRTC-UHFFFAOYSA-N	364.442	2.079	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12CO[C@](C(=O)N3CC[C@H](CN=[N+]=[N-])C3)(C1)C2	2142248963	KTOFZNZCONKHCP-JLZZUVOBSA-N	365.434	2.219	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H](NCc2ccc(F)c(F)c2O)C1	2034716090	HEZSLCLOZOYZJJ-GFCCVEGCSA-N	358.385	2.396	10	10	FECE	
O=C(c1ccc(O)c(O)c1)N1CC[C@]2(CN(Cc3ccccc3)CCO2)C1	717431121	UAPFYAQUXSCLCJ-NRFANRHFSA-N	368.433	2.215	10	10	FECE	
CN[C@H](c1ccccc1O)C1(O)[C@H]2COC[C@H]1CN(Cc1ccccc1)C2	2167762764	CUBLGWXKCMQLEH-DBXWQHBBSA-N	368.477	2.162	10	10	FECE	
CCN(C(=O)OC(C)(C)C)C1CN(c2cc3c(cc2N)OCC(=O)N3)C1	2106803872	UXBWJPYGXQIANN-UHFFFAOYSA-N	362.430	2.045	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](O)(CCNCc2ccc(F)cc2O)C1	2208901498	ZKKJADKUUJVLOW-GOSISDBHSA-N	354.422	2.383	10	10	FECE	
Nc1ccc(N2CCN(C(=O)[C@H]3CCN(Cc4ccccc4)C3)CC2)cc1	2285329266	YGYZAURLIPCYOP-IBGZPJMESA-N	364.493	2.440	10	10	FECE	
COC(=O)C=Cc1ccc(N2CCC(Cn3ccnn3)CC2)c([N+](=O)[O-])c1	2303657697	CCVCIDWZBFVBBH-UHFFFAOYSA-N	371.397	2.289	10	10	FECE	
CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(C(=O)O)cc2)SC1=S	2314929191	IPGIUZOPZSSHRB-SNVBAGLBSA-N	351.405	2.449	10	10	FECE	
CN(C(=O)c1cccc(O)c1O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F	2320528261	TVRSJWZXKMZHAK-NWDGAFQWSA-N	354.378	2.127	10	10	FECE	
O=S1(=O)C[C@@H]2CN(Cc3cc(Cl)cc(Br)c3O)C[C@@H]21	2336552347	DRJQOLRDBNFYIO-KWQFWETISA-N	366.664	2.037	10	10	FECE	
Cc1cc(C(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)c(C)n1-c1ccccc1	180695578	OMYUKSKPMBPWAM-IEBWSBKVSA-N	369.465	2.460	10	10	FECE	
Cc1nc(N2CCN(Cc3cccc(C)c3O)CC2)c2cnn(C)c2n1	180119642	XHHVGTZZVYIYKQ-UHFFFAOYSA-N	352.442	2.008	10	10	FECE	
N[C@H]1C(=O)Nc2cc(N3CCCCC[C@@H]3CO)c(Br)cc21	133693192	FYICSFNLZMGWDJ-YMTOWFKASA-N	354.248	2.142	10	10	FECE	
COc1ccc(N2CCN(C(=O)NC[C@H]3CCCO3)CC2)cc1Cl	242991749	HUJMYSDUPFNGSL-CQSZACIVSA-N	353.850	2.359	10	10	FECE	
CO[C@@H](C)c1noc(CN(C)C(=O)NCc2ccc(N3CC=CC3)cc2)n1	267108777	WYOBDRHFEJBUJP-AWEZNQCLSA-N	371.441	2.495	10	10	FECE	
C[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1cn[nH]c1	270357810	XMILYMIBNRSRGF-AWEZNQCLSA-N	357.458	2.179	10	10	FECE	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CN1CC(=O)NC1=O	272259300	QFKZSNZIQIUCMX-CQSZACIVSA-N	367.405	2.034	10	10	FECE	
CN1CCC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)C1=O	294779360	RQGMXPJNSWDSHT-RTBURBONSA-N	373.497	2.129	10	10	FECE	
Cc1cc(CCNC(=O)NCc2cnn(C)n2)c(C)n1-c1ccccc1	805999233	JFQLUIMEHBBEFO-UHFFFAOYSA-N	352.442	2.265	10	10	FECE	
Cn1nnc2cc(C(=O)NCc3cc(Br)ccc3O)ccc21	804734221	FBRZSCOUEHRHJG-UHFFFAOYSA-N	361.199	2.366	10	10	FECE	
Cc1ccc(OC[C@H](O)CNCc2ccc(N3CCOCC3)cc2)cc1	818973251	OGXWUMIAPUZJGK-HXUWFJFHSA-N	356.466	2.361	10	10	FECE	
COc1ccc(N2C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]2C(=O)O)c(N)c1	2132281621	PVTHUOPWCFWBFH-IAQYHMDHSA-N	365.430	2.224	10	10	FECE	
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1	2132349949	IUXPQNAOPGICPR-XJKSGUPXSA-N	356.422	2.444	10	10	FECE	
O=C(Cc1ccc2c(c1)NCC2)NCc1ccc(N2CCOCC2)c(F)c1	823702548	PTEHKYCTSKLEQT-UHFFFAOYSA-N	369.440	2.489	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCC[C@H]4C[C@@H]43)CC2)cc1	824285484	KPKBXOUYKBWKOH-DBVUQKKJSA-N	357.498	2.370	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N[C@@](C)(CCF)C(=O)O)C2)cc1	909133853	HRQFKUFGPACJSM-UGSOOPFHSA-N	367.421	2.024	10	10	FECE	
Nc1c(C(=O)NCc2ccc(N3CCSCC3)cc2)cnn1C1CC1	906260459	GNSLLOZOIPBAEU-UHFFFAOYSA-N	357.483	2.283	10	10	FECE	
CC(C)[C@@](C)(CO)NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	838740102	SENWFUKSCSDSBC-GOSISDBHSA-N	371.428	2.008	10	10	FECE	
COc1ccccc1N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	588403289	DQXPWPPPHWIEGT-CLFYSBASSA-N	354.406	2.468	10	10	FECE	
CCON(C)C(=O)CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	845569205	IPATUJCJYFJZLZ-UHFFFAOYSA-N	362.474	2.228	10	10	FECE	
COC1CCN(c2ccc(CN3C[C@@H](C)N(CCO)C[C@@H]3C)cc2)CC1	842164047	UGSHOUVORWSLRN-MSOLQXFVSA-N	361.530	2.189	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)N3CCC34CCCC4)C2)cc1	846740359	DWFFZGCEDOPWDF-MRXNPFEDSA-N	371.481	2.183	10	10	FECE	
COc1ccc(N2CC[C@H](N3C(=O)N[C@H](Cc4ccccc4)C3=O)C2)cc1	849357114	JQNFNEDBOHVIDR-PKOBYXMFSA-N	365.433	2.437	10	10	FECE	
COc1ccc(N2CC[C@H](N3C(=O)NC4(CCSCC4)C3=O)C2)cc1	849357335	LRXPZRQDTXLPOD-AWEZNQCLSA-N	361.467	2.092	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1	2132412296	BVAVMQKNUFXSNY-JQWIXIFHSA-N	366.414	2.036	10	10	FECE	
C[C@H]1CC2(CO1)CC(NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)C2	924730894	UTLXTNUUWOOZLC-PDORWXRYSA-N	357.498	2.436	10	10	FECE	
CN(C)c1ccc(/C=C/CN[C@@H]2CCN(c3ccc4nncn4n3)C2)cc1	858243502	JLHKEHABKUTZEL-REMYHPOOSA-N	363.469	2.072	10	10	FECE	
COc1ccc(N(CC(=O)O)CC(=O)NCC(C)(C)C(F)(F)F)cc1	853007802	FEPDIFAOFDMBNA-UHFFFAOYSA-N	362.348	2.291	10	10	FECE	
CN(C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc2c(c1)OCO2	851869118	YMJBZEXPSGZMKD-AWEZNQCLSA-N	350.415	2.487	10	10	FECE	
Cc1cc(CN2C[C@H](c3cnn(C)c3)C[C@@H](C(=O)O)C2)ccc1N(C)C	923263338	DCKWTWRJGYIMQR-IAGOWNOFSA-N	356.470	2.485	10	10	FECE	
CCCC(=O)N1CCC[C@H](C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	855231618	WXZYNSCABPZLNK-IRXDYDNUSA-N	373.497	2.429	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3cccc(OC)c3O)C2)cc1	854300450	SVQRAVMWBKAAQQ-OAHLLOKOSA-N	371.437	2.488	10	10	FECE	
O=S(=O)(N[C@@H]1CCCC[C@H]1N[C@@H]1CCc2cccc(O)c21)C1CC1	866493265	YVRLMNFDJYDZKR-BZUAXINKSA-N	350.484	2.362	10	10	FECE	
COc1ccc(N2CCC(NCc3ccnc(-n4cncn4)c3)CC2)cc1	865680810	DOWXYGSLMXLQDP-UHFFFAOYSA-N	364.453	2.430	10	10	FECE	
C[C@@H]1O[C@H](C)C[C@@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	868896848	KBCQEUJLTTZNEC-VCBZYWHSSA-N	361.486	2.260	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3nc([C@@H]4C[C@@H]4C)no3)CC2)cc1F	865952406	SMEVRIGNSBIORT-WCQYABFASA-N	360.389	2.303	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CC[C@@H](NC(=O)NC3CC3)C2)c1	761229965	WKYWUDVHEFJNPF-CYBMUJFWSA-N	368.275	2.499	10	10	FECE	
Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)O)cc1N(C)C	776434454	GIXPFEFWIHZHJX-UHFFFAOYSA-N	350.396	2.266	10	10	FECE	
COC(=O)[C@@H]1[C@H](CNCc2ccc(N3CCC(CO)CC3)cc2)C1(F)F	894203823	WCMZYMRKNBHOSV-IRXDYDNUSA-N	368.424	2.039	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N[C@H](CN1CCCC1=O)c1ccccc1	1136415510	GNQVLPTUVFYMOS-MRXNPFEDSA-N	354.406	2.120	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1	797636591	CHLKARDZLYWICZ-DOMZBBRYSA-N	369.421	2.454	10	10	FECE	
C[C@H]1[C@H](NCc2cc3c(cc2O)OCO3)CC(=O)N1Cc1ccccc1	798505708	USIOIUZPQOTSFX-XJKSGUPXSA-N	354.406	2.400	10	10	FECE	
CNc1cc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc(Cl)n1	1303086695	ZANMYUPCSJMEIF-UHFFFAOYSA-N	373.888	2.459	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)Oc1cccc(CO)c1	1157103192	WDIOYOWJKCYCCM-CYBMUJFWSA-N	350.411	2.454	10	10	FECE	
CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1CCCn1cnnn1	1305381987	HKLBFGJTSNBSIK-AWEZNQCLSA-N	370.461	2.210	10	10	FECE	
Oc1ccsc1-c1nnc(N2CCc3nccnc3C2)n1CC1CC1	1345202032	LUDNGUHFGSJJAW-UHFFFAOYSA-N	354.439	2.475	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@@H]2CCC(=O)N2)n1CCC1CC1	1503488867	YRMPIBLHJPWBLF-HNNXBMFYSA-N	355.442	2.371	10	10	FECE	
Oc1nc2c(NCc3ccc(N4CCC(O)CC4)cc3)nc(Cl)nc2[nH]1	1458504198	HTZDRQKELDTTLB-UHFFFAOYSA-N	374.832	2.285	10	10	FECE	
CCOC(=O)CN(CCc1ccccc1)C(=O)Cc1ccc(O)c(O)c1	1292898576	ZPOYNIPTKDDCAS-UHFFFAOYSA-N	357.406	2.275	10	10	FECE	
C[C@H](C(=O)NCc1ccc(O)c(O)c1)C1CN(C(=O)OC(C)(C)C)C1	1635958908	CPDRBFKISRDLCD-NSHDSACASA-N	350.415	2.217	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1ccn(-c2ccccc2[N+](=O)[O-])n1	1643104340	UZIKFMQAMRHLRG-UHFFFAOYSA-N	354.322	2.122	10	10	FECE	
Cc1ccc(C(=O)N[C@@H](CO)c2ncc[nH]2)cc1-n1c(C)cc(C=O)c1C	1645523954	WNJDQQNVKOKKTB-KRWDZBQOSA-N	366.421	2.402	10	10	FECE	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1nsnc1O	1587151716	XZBNSMCNBJHEHZ-SECBINFHSA-N	370.381	2.244	10	10	FECE	
O=C(NCCCSc1nccs1)N1CC[C@](O)(C(F)(F)F)C1	154640310	MUENMVGCIYBRLE-LLVKDONJSA-N	355.407	2.334	10	10	FECE	
COc1ccc([C@@H](C)NCC2(CO)CN(C(=O)OC(C)(C)C)C2)c(O)c1	2137077625	KLHHINUSVFWLSH-CYBMUJFWSA-N	366.458	2.281	10	10	FECE	
O=C(OCc1ccccc1)N1CCOC[C@H](NCc2cccc(O)c2O)C1	1946790937	BWRFSBXRYXLDDM-QGZVFWFLSA-N	372.421	2.225	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](CNCc2cccc(O)c2O)CO1	2041186370	DBLVIGQVKQGZIR-JSGCOSHPSA-N	352.431	2.117	10	10	FECE	
CCS(=O)(=O)[C@H]1CCN(c2ccc([C@H](C)N)c(Br)c2)C1	2179894671	RROQLJAEDCTZAA-JQWIXIFHSA-N	361.305	2.482	10	10	FECE	
C[C@@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C)c1cc(O)ccc1O	394439108	WQOCVLNTNKAERV-ZIAGYGMSSA-N	365.474	2.300	10	10	FECE	
CC[C@@H](N[C@@H]1[C@H]2CS(=O)(=O)C[C@H]21)c1cc(Br)ccc1O	2174644315	QCHVAYPXWNOGKT-CZXHOFHRSA-N	360.273	2.238	10	10	FECE	
CC(C)[C@@H](CNC(=O)OC(C)(C)C)NC(=O)COc1ccc(N)cc1	2044212599	LIBKGFBONNFWFJ-OAHLLOKOSA-N	351.447	2.313	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CN(Cc2cc(N)ccc2O)CCCO1	2044615139	MMVQNIJYOAPVFW-HNNXBMFYSA-N	351.447	2.090	10	10	FECE	
CN(Cc1cc(N)ccc1O)C[C@H]1COCCN1C(=O)OC(C)(C)C	2044675987	PVNPUMJGJJVFSN-HNNXBMFYSA-N	351.447	2.042	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2060635236	JVMHTVMBKQWBTB-CHWSQXEVSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)NCC(C)(C)OCCNC(=O)c1cccc(O)c1O	2278329871	FTKBUZKIUUTRLF-UHFFFAOYSA-N	368.430	2.148	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(CCC(=O)Nc1ccc(N)cc1)C2	2288266286	BGCRIKBBUHQWCS-VLIAUNLRSA-N	374.485	2.444	10	10	FECE	
N=C1C(=Cc2ccc([N+](=O)[O-])o2)C(=O)N=C2SC(c3cccnc3)=NN12	2296930556	VDHMBVIHFUNPTJ-UHFFFAOYSA-N	368.334	2.250	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@]2(C(=O)N[C@@H]3CCC[C@@H]3N=[N+]=[N-])CO[C@H]1C2	2334184255	UPPSFSUWGGUPDF-LAIFWZPXSA-N	365.434	2.406	10	10	FECE	
CN1CCCc2cc(CNC(=O)Cn3c(=O)[nH]c4ccccc43)ccc21	123952215	UCPBRMPOVBUQRN-UHFFFAOYSA-N	350.422	2.028	10	10	FECE	
Cc1cc(C(=O)NCCC(=O)N2CCOCC2)c(C)n1-c1ccccc1	45911792	JWGQYWABYJESCF-UHFFFAOYSA-N	355.438	2.073	10	10	FECE	
CCO[C@@H]1CCCN(c2cc3c(cc2Br)[C@@H](N)C(=O)N3)C1	221243698	ACOMELWIRGOOAF-YMTOWFKASA-N	354.248	2.406	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)NC3CCCC3)CC2)cc1	240790418	AYKLTFOEBRNYTC-RBUKOAKNSA-N	371.481	2.039	10	10	FECE	
NC(=O)c1ccccc1NC(=S)NCc1ncccc1Br	243013649	HXLFOFBHAIIASF-UHFFFAOYSA-N	365.256	2.430	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)NC[C@@H](O)[C@@H]2CCCO2)CCCC1	628597528	QSJFQUAZNYYGPE-UXHICEINSA-N	372.465	2.185	10	10	FECE	
CCO[C@@H]1C[C@H](N[C@H](C)c2cc(C(=O)OC)ccc2O)[C@@H]1n1cccn1	815660006	PMLROSVOYLKUHT-XGWTYTTDSA-N	359.426	2.445	10	10	FECE	
O=S1(=O)CCN(Cc2ccc(Br)cc2O)[C@@H]2CCC[C@H]21	826100736	SWWCPVAXHPCGJG-TZMCWYRMSA-N	360.273	2.306	10	10	FECE	
CN(C)CCOc1cccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)c1	588408226	SQIRYQQBMUKANF-CLFYSBASSA-N	356.422	2.368	10	10	FECE	
COc1ccc(O)c([C@@H](C)NCC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)c1	588382537	INRQYMBFLZCCJE-CHWSQXEVSA-N	358.442	2.280	10	10	FECE	
CCc1ccc(CN2CCN(C(=O)C(=O)Nc3ccc(N)cc3)CC2)s1	841045050	MCVXPLOWBLCINT-UHFFFAOYSA-N	372.494	2.176	10	10	FECE	
Cc1cc(O)c(CN2CCCN(CC(=O)N3CCCC3)CC2)c(Cl)c1	840909917	IJLHICMUNYFLFK-UHFFFAOYSA-N	365.905	2.484	10	10	FECE	
C[C@@H](NC(=O)c1cn(C2CCC2)nn1)c1ccc(N2CCOCC2)cc1	843537623	ZVXQXKHEFPNVHV-CQSZACIVSA-N	355.442	2.331	10	10	FECE	
CCO[C@@H]1C[C@H](NC(=O)NCc2cc(Cl)ccc2O)[C@@H]1n1cccn1	845223097	HMZGWGZRYKSMAS-IMJJTQAJSA-N	364.833	2.460	10	10	FECE	
C[C@@H](N[C@@H]1CCc2nnn(C)c2C1)c1ccc(Br)cc1O	927147524	SNTOYHBLKLIDJR-MWLCHTKSSA-N	351.248	2.491	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cnn(C)c1C(F)F	758961813	FYDGOKPSBWSFMM-UHFFFAOYSA-N	365.384	2.021	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NCc2c(O)cccc2F)C1	928708496	MWTQIGLMEXJDEX-GFCCVEGCSA-N	350.390	2.405	10	10	FECE	
O=S(=O)(Nc1cccc(-c2nc[nH]n2)c1)c1cc(F)cc(F)c1O	753019965	ZUDCCJIXRVNFNJ-UHFFFAOYSA-N	352.322	2.256	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CN3Cc4ccccc4C3=O)C2)cc1	855231888	YBZLIEPOLJDWTD-INIZCTEOSA-N	365.433	2.046	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H]1CCC[C@@H](C)O1	850601017	AJHPNQKTEXRWKD-CRAIPNDOSA-N	361.486	2.175	10	10	FECE	
COc1ccc(CNCc2noc3c2COCC3)cc1Cn1cccn1	923017544	GPGDUPFXFUSAQI-UHFFFAOYSA-N	354.410	2.291	10	10	FECE	
COc1ccc(CNC(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)c(O)c1	797650112	DPRXWOAWVBSQLE-CYBMUJFWSA-N	358.320	2.237	10	10	FECE	
O=C(CC(F)(F)F)NC[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	795671198	WLLRDCGIHNNAAW-LLVKDONJSA-N	374.359	2.402	10	10	FECE	
C[C@@H](C[C@@H](C)NC(=O)OC(C)(C)C)NC(=O)Cc1ccc(O)c(O)c1	1143153357	YYJDMGIAGLFTBN-NWDGAFQWSA-N	352.431	2.448	10	10	FECE	
C[C@H](NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccc(F)cc1O	702763076	LWICEPZIKYKSOO-MQIPJXDCSA-N	354.422	2.410	10	10	FECE	
C[C@H](NC(=O)C(=O)NCC1(C)CCC1)c1ccc(N2CCOCC2)cc1	1321902373	KDGLETDKWHAEJP-HNNXBMFYSA-N	359.470	2.007	10	10	FECE	
C[C@@]1(c2cccc(CN[C@H]3CCc4cccc(O)c43)c2)NC(=O)NC1=O	1324600381	BMEXNBSPOAMOHL-YWZLYKJASA-N	351.406	2.224	10	10	FECE	
CNS(=O)(=O)C[C@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1	1331675473	DMSYULUQPAGKMQ-KRWDZBQOSA-N	351.516	2.048	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1	1351673759	OGDYJIGFYPRIKZ-MSOLQXFVSA-N	359.470	2.058	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)cc1	1447686975	SJSPCDKGNAELOS-AWEZNQCLSA-N	351.366	2.384	10	10	FECE	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1nnc(O)nc1O	1295594984	NFEIEOHJCWSCEI-LBPRGKRZSA-N	366.377	2.392	10	10	FECE	
Cn1cnc2ccc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)nc21	1466290036	NLZKKYHMUKPRLP-OAHLLOKOSA-N	366.421	2.495	10	10	FECE	
CCOC(=O)[C@@H](CC(=O)N(C)Cc1ccc(N2CCCC2)cc1)C(C)=O	1463805950	GVQSSBBGIPRFGL-SFHVURJKSA-N	360.454	2.404	10	10	FECE	
CC(C)c1nnc(N(C)Cc2ccccc2O)n1CCCN1CCOCC1	1541326579	OYBQAYGIRDHMOJ-UHFFFAOYSA-N	373.501	2.466	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC[C@@H](CO)[C@H]2CO)c1	1635430121	ATNOWCYRLITNJZ-FXAWDEMLSA-N	370.449	2.112	10	10	FECE	
CCOC(=O)C[C@H](CO)NC(=O)c1cc(C)ccc1-n1c(C)ccc1C	1636839231	WYFHMQMPCMCLOZ-MRXNPFEDSA-N	358.438	2.446	10	10	FECE	
CCOC(=O)[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccccc1	1638347759	LNBWEDWKIVTLNE-UGSOOPFHSA-N	357.406	2.492	10	10	FECE	
O=C(COCCNC(=O)c1ccccc1)NCc1cc(Cl)ccc1O	1583820412	BGJZIGUYKWMWPX-UHFFFAOYSA-N	362.813	2.108	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCC[C@H]1CN=[N+]=[N-])[C@H]1CCOC1	2124504578	AJGXIIPUUCZBDD-IHRRRGAJSA-N	367.450	2.465	10	10	FECE	
CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1C[C@@H]1C	1741640887	AJBWYXQFPAPDLW-ZFWWWQNUSA-N	357.458	2.414	10	10	FECE	
C[C@@H]1CC(=O)Nc2ccc(C(=O)NCCc3ccc(O)c(O)c3)cc2N1	1595752885	SUYIWXFYGZTIAC-LLVKDONJSA-N	355.394	2.213	10	10	FECE	
Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	1596694407	FOLBLGMWQDDITF-UHFFFAOYSA-N	374.372	2.083	10	10	FECE	
CC[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CCN1CC(F)F	153407194	RPDYUMSPTOHNDH-INIZCTEOSA-N	368.472	2.030	10	10	FECE	
CCN1CCN(CCCN[C@H](C)c2ccc(N3CCOCC3)cc2)CC1	154214208	SXYZLRULEOPSSA-LJQANCHMSA-N	360.546	2.201	10	10	FECE	
C[C@@H](N=c1nc(CN(C)C(=O)OC(C)(C)C)[nH][nH]1)c1c(O)cccc1O	2128847785	PPGKVKVICIFRAB-SNVBAGLBSA-N	363.418	2.178	10	10	FECE	
C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2O)CCS1(=O)=O	708216922	WAHZHUGCSGOZJM-MRVPVSSYSA-N	368.680	2.427	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](NCc2ccc(N3CCOCC3)cc2)CO1	722489108	HIIBAWYNOGJWRY-MRXNPFEDSA-N	363.458	2.164	10	10	FECE	
C[C@H]1CN(c2cc3c(cc2N)OCC(=O)N3)CCN1Cc1ccccc1	396356621	ISNNQTFHBXLQFT-AWEZNQCLSA-N	352.438	2.310	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)c2cccc(O)c2O)C1	790664243	BMIOVAYGDFYDME-LBPRGKRZSA-N	350.415	2.475	10	10	FECE	
COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2060634367	YUUVBETXPXTPOV-QWHCGFSZSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)Nc2ccc(N)cc2)C1	2106289205	XWHCNRWGIMEYAJ-HNNXBMFYSA-N	364.446	2.416	10	10	FECE	
Nc1ccc(OCCN2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)cc1	2097695595	HVGMIAMKHKYSHA-LEWJYISDSA-N	353.466	2.233	10	10	FECE	
O=S1(=O)C[C@@H]2CCC[C@]2(NCc2ccc(Br)cc2O)C1	2201885718	UYDQRYZRTJBQRF-FZMZJTMJSA-N	360.273	2.212	10	10	FECE	
Cc1cccc(CNC(=O)c2cn(CCNC(=O)OC(C)(C)C)cn2)c1O	2204604809	JAFSZHHZMYRFKI-UHFFFAOYSA-N	374.441	2.352	10	10	FECE	
CCOC(=O)C1=C(C)N(CCOC)C(=O)C1=Cc1ccc([N+](=O)[O-])cc1	2294034527	AKCQYSSRNRFWOF-UHFFFAOYSA-N	360.366	2.304	10	10	FECE	
COc1ccccc1N1C(=O)NC(=O)C(=Cc2nc3ccccc3[nH]2)C1=O	2296936041	VULXYQRTZKWVNU-UHFFFAOYSA-N	362.345	2.238	10	10	FECE	
O=C(O)C=Cc1ccc(O)c2c1[C@H](C(=O)O)[C@@H](c1ccc(O)c(O)c1)O2	2297749133	GJHXGOBGPWPCCK-JKSUJKDBSA-N	358.302	2.203	10	10	FECE	
C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N(C)Cc1ccccc1O	126633914	OWOOKFRNTGBTOF-CQSZACIVSA-N	366.421	2.332	10	10	FECE	
O=C1/C(=C\c2cccc(F)c2)SC(=S)N1CCN1CCOCC1	96930792	SHIVQYIOADXXPK-SDNWHVSQSA-N	352.456	2.359	10	10	FECE	
Cc1cc(/C=C\C(=O)N2CCS(=O)(=O)CC2)c(C)n1-c1ccccc1	255212875	WLNUPZPXPSFWCV-HJWRWDBZSA-N	358.463	2.364	10	10	FECE	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H]2CSC(=O)N2)cc1	266761436	PVNBEPKITMAPHS-CVEARBPZSA-N	363.483	2.085	10	10	FECE	
CSCCNCC(=O)N(C)Cc1ccc(C)c(Br)c1O	2380791534	AFFVXHRTAKGZKQ-UHFFFAOYSA-N	361.305	2.374	10	10	FECE	
Cc1ccc(CNCC(=O)NCC(F)(F)F)c(O)c1Br	2380802614	FFKKECBQXIYAIK-UHFFFAOYSA-N	355.154	2.231	10	10	FECE	
CC(=O)C(=O)COC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1	808544000	RFSKVFKQXVGBFC-UHFFFAOYSA-N	363.373	2.308	10	10	FECE	
COC[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1	804027569	FLHKGJAKUXPMEU-HNAYVOBHSA-N	369.465	2.434	10	10	FECE	
CCOC(=O)[C@@H]1C[C@H](N=[N+]=[N-])[C@H](O)C[C@@H]1NC(=O)OCc1ccccc1	714445002	XEIPEUFVSGQVHR-CBBWQLFWSA-N	362.386	2.294	10	10	FECE	
Cn1cc(CN2C(=O)CN(Cc3ccccc3O)C2=O)c(C(F)(F)F)n1	819169323	ZSYFYVWIHATRLG-UHFFFAOYSA-N	368.315	2.109	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)N[C@@H](C)CCC3CC3)C2)cc1	829181438	FFWRIRNTMAWFOB-GOEBONIOSA-N	359.470	2.085	10	10	FECE	
C[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1cscn1	827158017	LZFXOLISACLZQS-ZDUSSCGKSA-N	358.467	2.237	10	10	FECE	
O=C(c1c[nH]nc1[C@H]1CCNC1)N1CCc2cc(Br)ccc21	662416886	IVKUWLXMNJCEKM-NSHDSACASA-N	361.243	2.452	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CN[C@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@H]34)cc2)C1	902758205	DSAGVYQAAHFEJH-OPJRWSFGSA-N	369.509	2.291	10	10	FECE	
Cc1cc(C(=O)COC(=O)[C@@H]2CCC(=O)NC2)c(C)n1-c1ccc(F)cc1	919340352	OGGSZEBOTVCEHY-CQSZACIVSA-N	372.396	2.485	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)COCc1ocnc1C(=O)O	911118855	QAYNCXMCJAYBQK-UHFFFAOYSA-N	361.398	2.004	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H](C)OC[C@H]3CCCCO3)C2)cc1	855229214	IRZOOPVWXYMOIV-TXPKVOOTSA-N	362.470	2.364	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H]3CCNC34CCCC4)cc2)C1	925484427	FFMWYTLZIMCPMP-IEBWSBKVSA-N	356.514	2.153	10	10	FECE	
C[C@@H](CN(C)CCCN(C)C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	854003526	JFWCAOLWVCCBOT-DLBZAZTESA-N	363.550	2.385	10	10	FECE	
COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	855230035	DNLGALSZIMGUGH-BZUAXINKSA-N	360.454	2.370	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Cc3ccc([S@](C)=O)cc3)C2)cc1	855223040	BHXNRVFVBCPRSL-DXPJPUQTSA-N	372.490	2.370	10	10	FECE	
CC1(C)CC(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1	852699526	QIIZWBAQIGRIAF-OAHLLOKOSA-N	358.486	2.376	10	10	FECE	
C[C@](O)(CC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)C1CC1	768913630	MQIDTAXDFNLVFN-QFIPXVFZSA-N	371.525	2.386	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@@H]2CC(=O)N(C)C2)C1	774160976	JPUPOYNZSOACHB-OAHLLOKOSA-N	369.465	2.182	10	10	FECE	
Cc1cc(C(=O)CN2C[C@H](O)C[C@@H]2C)c(C)n1-c1ccc2c(c1)OCO2	788275897	QBBFYIVLIIRHQS-BLLLJJGKSA-N	356.422	2.461	10	10	FECE	
O=C(C1CN(C2CCOCC2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	896269656	KYIGEKJKFMZGCQ-IBGZPJMESA-N	374.481	2.011	10	10	FECE	
O=S(=O)(CC[C@H]1CCCO1)NCc1cc(Br)ccc1O	796190260	FAGMAZHTQRKRRU-GFCCVEGCSA-N	364.261	2.143	10	10	FECE	
C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1cccc(N2CCOC2=O)c1	1147133657	SLXMWBUTZYSGEY-GFCCVEGCSA-N	356.378	2.474	10	10	FECE	
CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc2c(cc1N)OCCO2	711797257	WQZMCXIURFKLFV-NRFANRHFSA-N	369.465	2.113	10	10	FECE	
C[C@H](O)c1ccc(N(C)CCCS(C)(=O)=O)cc1Br	694161898	VHGNOPPPOLSILV-JTQLQIEISA-N	350.278	2.373	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H](Nc2ncccn2)C1	1261451792	INIDFAXSNWNYTF-KRWDZBQOSA-N	364.453	2.249	10	10	FECE	
Cc1cccc(C(=O)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1	1438902365	PXTLMJWVUSJKPM-UHFFFAOYSA-N	351.450	2.246	10	10	FECE	
Cn1c(=O)n(C)c2cc(OC(=O)c3sc4ncccc4c3N)ccc21	1467814649	MCGWAHVUDQPGTQ-UHFFFAOYSA-N	354.391	2.288	10	10	FECE	
O=C(CCn1cnc2ccccc2c1=O)NCc1ccc2cccnc2c1O	1639621455	FNWFWRPRHDKAKZ-UHFFFAOYSA-N	374.400	2.357	10	10	FECE	
O=C(CCNC(=O)c1cc2ccccc2[nH]1)NCCc1ccc(O)c(O)c1	1636023119	YDBFTPNSFXLKKJ-UHFFFAOYSA-N	367.405	2.058	10	10	FECE	
CC(C)n1ncc2cc(/C=C\C(=O)NCc3cc(O)ccc3O)c(=O)[nH]c21	1637122183	AKWRQTVCHARRNE-UTCJRWHESA-N	368.393	2.046	10	10	FECE	
NC(=O)Cc1cccc2c1CCN(C(=O)c1ccc(N=NC(N)=O)cc1)C2	1643514466	XPZPYNBLQBATGE-UHFFFAOYSA-N	365.393	2.075	10	10	FECE	
COC[C@H](Cn1c(C)nnc1N(C)Cc1ccc(N2CCCC2)cc1)OC	1749326317	XGRRIKOVRDQGPC-IBGZPJMESA-N	373.501	2.485	10	10	FECE	
CCOC(=O)CN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S	6076292	HEFUJSWHSHXYER-YRNVUSSQSA-N	352.393	2.359	10	10	FECE	
COc1ccc(N(CCc2ccccc2)CCN2C(=O)CNC2=O)cc1	156584016	JDOVATCCHLOCIS-UHFFFAOYSA-N	353.422	2.296	10	10	FECE	
CCc1c(OCCCOc2ccc(N)cc2)c(=O)ccn1[C@H](C)C(=O)O	1857913306	CNENJWQFCNJLCL-CYBMUJFWSA-N	360.410	2.486	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNC(=O)c3ccc(O)c(O)c3)C[C@@H]21	2140677567	RRDXZAWCZAFXBY-MCIONIFRSA-N	362.426	2.473	10	10	FECE	
C[C@](Cc1ccc(O)c(O)c1O)(NC(=O)OCc1ccccc1)C(=O)O	1951865871	BWHYRENIWLVFOF-GOSISDBHSA-N	361.350	2.116	10	10	FECE	
C[C@H](O)c1ccc(N2C[C@H]3CCS(=O)(=O)[C@H]3C2)cc1Br	2145047622	GJQNPQORTDYJFF-RBZYPMLTSA-N	360.273	2.126	10	10	FECE	
COc1cc(Cl)cc(CNC[C@@H](CO)NC(=O)OC(C)(C)C)c1O	2011517003	REQBIJNSXBGGPQ-LBPRGKRZSA-N	360.838	2.029	10	10	FECE	
CN(c1ccc(CO)cc1Br)[C@H]1CCCS(=O)(=O)CC1	694191926	PBAAYOKXDKCDKB-LBPRGKRZSA-N	362.289	2.345	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)CCOc2ccc(N)cc2)[C@@H]2C[C@H]21	2106703478	QACPXIDNXCWDSB-HZPDHXFCSA-N	361.442	2.258	10	10	FECE	
Nc1ccc(CCC(=O)N[C@@H](COCc2ccccc2)CC(=O)O)cc1	2096667779	PHMGIJZYBRSQJL-GOSISDBHSA-N	356.422	2.378	10	10	FECE	
C[C@@H](CF)N(C)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2270201895	ZYVLDLORNKAFIU-AAEUAGOBSA-N	370.421	2.350	10	10	FECE	
COc1ccc(Br)c(CN[C@]23COC[C@H]2C3(F)F)c1O	2236055718	RLRBPOYNWSZNEV-ZYHUDNBSSA-N	350.159	2.287	10	10	FECE	
CCOC(=O)C1=C(C)N(CCOC)C(=O)C1=Cc1ccc(C(=O)OC)cc1	2297308007	QUICTTLUOYQNEZ-UHFFFAOYSA-N	373.405	2.182	10	10	FECE	
O=C1C(=Cc2c[nH]c3ccccc23)SC(=S)N1CCS(=O)(=O)O	2297478081	CMJSFHMHKVYYOV-UHFFFAOYSA-N	368.461	2.257	10	10	FECE	
CN1C(=O)C(=Cc2ccc(C(=O)NCCCC(=O)O)cc2)SC1=S	2297554964	LTDGRFITVXZTIZ-UHFFFAOYSA-N	364.448	2.112	10	10	FECE	
CC(C)Oc1cccc(/C=C/C(=O)NCCN2C(=O)CSC2=S)c1	71500717	VBQSQECXHHOVBU-VOTSOKGWSA-N	364.492	2.464	10	10	FECE	
CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NCCc1ccc(N)cc1)C(=O)C2	193337466	KBHCBLJSHWBWJL-KBXCAEBGSA-N	350.484	2.126	10	10	FECE	
COCCNc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccn1	244448685	ZAKVMLIJMIGYLI-UHFFFAOYSA-N	370.453	2.111	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc2c(n1)OCCO2	667746267	QPPGVRXQIRXFKP-UHFFFAOYSA-N	356.382	2.350	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)N[C@H](C)c3ccccc3)C2)cc1	826594510	MBCCUXWVKPZINN-WBVHZDCISA-N	367.449	2.268	10	10	FECE	
COc1ccc(O)c(CNC(=O)CN2C(=O)CSc3ccccc32)c1	734016381	NTRWJBNUKDHEBL-UHFFFAOYSA-N	358.419	2.156	10	10	FECE	
C[C@H]1CCN(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1	847591221	SCIJPPUUJXUEKD-WMLDXEAASA-N	365.905	2.468	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H](C)[C@H]3CCO)C2)cc1	854297796	XBZMVCWCFVTRRS-TXPKVOOTSA-N	361.486	2.466	10	10	FECE	
Cc1ccc(S(=O)(=O)NC[C@H](N)c2ccc(N(C)C)cc2)c(F)c1F	858611179	ILOMIGHHEYGLKC-AWEZNQCLSA-N	369.437	2.318	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N[C@@H]4CCCC[C@@H]43)CC2)cc1	854198309	HXVROGHDCJZFPN-GUDVDZBRSA-N	371.481	2.039	10	10	FECE	
CCS(=O)(=O)C1CN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1	854831758	ZVYWGFIAAZGLGS-UHFFFAOYSA-N	360.479	2.282	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C)C[C@@H]3C(C)C)C2)cc1	854300673	XYQMDCFCTQOVLN-QFBILLFUSA-N	360.502	2.256	10	10	FECE	
Cc1ccc(O)c(CNC(=O)COC2(C)CN(C(=O)OC(C)(C)C)C2)c1	862757389	RUMBNIPUAPESQC-UHFFFAOYSA-N	364.442	2.343	10	10	FECE	
C[C@@H](NC(=O)C(=O)N[C@@H]1C[C@H]2[C@@H](C1)C2(F)F)c1ccc(N(C)C)cc1	1118631905	QASDJPXWJNEXCP-WAZAZEMKSA-N	351.397	2.090	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H]2[C@H](C1)C2(F)F	1328759559	AVZUGHPSJXJJPE-OKILXGFUSA-N	352.381	2.244	10	10	FECE	
O=C(CCC(=O)N1CCc2sccc2C1)NCc1cccc(O)c1O	1123888288	HGQYXOXPURRBRU-UHFFFAOYSA-N	360.435	2.141	10	10	FECE	
CNC(=O)C1(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)CCOCC1	895106988	QGOYKOFWPKNPML-UHFFFAOYSA-N	355.438	2.119	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)COc3ccsc3)cc2)CC1	799992682	GIRCNPHYBIWXFR-UHFFFAOYSA-N	373.478	2.112	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCO[C@H]1C(=O)OC	1313168467	ODVYZOSMKVWXTO-RHSMWYFYSA-N	364.442	2.282	10	10	FECE	
C[C@@H](NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1ccc(O)cc1O	1918962966	LRDWYBHLOWDVII-KZULUSFZSA-N	352.431	2.120	10	10	FECE	
CN1CCN(c2ccc(CN3CCNC[C@@H]3c3cccnc3)cc2F)CC1	1345955586	HLORHRMNISWHIO-OAQYLSRUSA-N	369.488	2.119	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)/C=C\[C@H]3COC(C)(C)O3)CC2)cc1	1295275282	MYDIROTYWVRCQF-LPADLIQXSA-N	360.454	2.442	10	10	FECE	
CN(C)C(=O)N1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C(C)(C)C1	1466449660	NODPQPYJROPKKY-UHFFFAOYSA-N	360.418	2.067	10	10	FECE	
O=C(NCc1cccc(O)c1O)c1cnn2cccc(Br)c12	1471642454	UYPBTQLSWFKMEQ-UHFFFAOYSA-N	362.183	2.438	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1ccn(CC(F)(F)F)n1	1623581642	VJIIVLLXVFQIND-UHFFFAOYSA-N	362.348	2.496	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C(C)(C)C)n1CC(=O)NCC1CC1	1729418883	MCSNIADWHGOAMZ-UHFFFAOYSA-N	371.485	2.444	10	10	FECE	
O=C(C[C@H]1COCCN1C(=O)Cc1ccc(O)c(O)c1)c1ccccc1	1635541382	LYXYYELTTVBFKC-INIZCTEOSA-N	355.390	2.141	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1c(C)cc(C)nc1C	1567306216	GFKCAPRCWRUTGT-HNNXBMFYSA-N	372.421	2.322	10	10	FECE	
COc1cc(N2CCC([C@@]3(C)COC(=O)N3)CC2)c([N+](=O)[O-])cc1OC	1640418759	QGDBYWDSLSAEJV-QGZVFWFLSA-N	365.386	2.327	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)OC[C@@H]2C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2124537274	XBKUZVYXGNAKLS-CRWXNKLISA-N	365.434	2.027	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)OC[C@@H]2C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2124537275	XBKUZVYXGNAKLS-MQYQWHSLSA-N	365.434	2.027	10	10	FECE	
C[C@H](NCCN1CCN(c2ncccn2)CC1)c1ccc(N(C)C)cc1	164241513	TTWWGXOMSDBFOH-KRWDZBQOSA-N	354.502	2.015	10	10	FECE	
CCNCc1ccc(N2CC(CS(C)(=O)=O)C2)c(Br)c1	2159448244	PRSHYWJFOJLBCG-UHFFFAOYSA-N	361.305	2.039	10	10	FECE	
Nc1c(C(=O)NC2CC2)nn(Cc2cccc(F)c2O)c1C(F)(F)F	2079233590	ZPBNOJCKRDUYIA-UHFFFAOYSA-N	358.295	2.269	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)NCCCCN=[N+]=[N-])C1	2060638867	BVDYYNQBCNVKDZ-MLGOLLRUSA-N	353.423	2.077	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCC(CN=[N+]=[N-])CC2)C1	2060635021	GYNYQXAVXFFJFI-CYBMUJFWSA-N	353.423	2.171	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OC(C)(C)C)c1O	2204620184	ADEOKUSVYVMNEW-OAHLLOKOSA-N	374.441	2.176	10	10	FECE	
COc1cccc(C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c1	2296706785	SGSJXGMNROGENM-NSHDSACASA-N	369.489	2.084	10	10	FECE	
O=C(CCN1C(=O)C(=Cc2ccco2)SC1=S)NC1=NCCS1	2297477437	KMAHZEJQRWJDAW-UHFFFAOYSA-N	367.477	2.090	10	10	FECE	
COc1cc(C=C2N=C(c3ccccc3)NNC2=O)cc(OC)c1OC	2297565301	IWYCQSWIWAOVSC-UHFFFAOYSA-N	353.378	2.135	10	10	FECE	
CCN1CCN(C2=NC(=O)C(=Cc3cc(OC)ccc3OC)S2)CC1	2313574284	FCBXAANEKVVLFP-UHFFFAOYSA-N	361.467	2.312	10	10	FECE	
CC[C@](C)(O)CNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	119121379	JQBMKGOIZVHINY-NRFANRHFSA-N	374.529	2.179	10	10	FECE	
O=C(NC1CC1)c1ccc(N2CC[C@H](NCc3cc(F)ccc3O)C2)nc1	65257008	ICKKNJBFFFNTOF-KRWDZBQOSA-N	370.428	2.187	10	10	FECE	
C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1N1CCOCC1	175683479	KOEIUWWERLGCFF-XLIONFOSSA-N	372.513	2.149	10	10	FECE	
CNc1cc(N2CCC[C@H]2CNCc2ccc3c(c2)CCN3C)ncn1	122296199	VIRQZSLYUDZRRT-KRWDZBQOSA-N	352.486	2.269	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@]12C[C@H]2C(=O)N1CCc2cc(O)c(O)cc2C1	2366906804	WIEIKUXMVYHQDG-OWZDWXTDSA-N	374.437	2.286	10	10	FECE	
COCc1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cs1	41469836	QUMGTSYJVZGXOC-UHFFFAOYSA-N	361.467	2.189	10	10	FECE	
C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(N2CCOCC2)c(F)c1	90539746	ZLIKCRKIGLFSKB-ZDUSSCGKSA-N	363.393	2.118	10	10	FECE	
C[C@H](N[C@@H](C)[C@H](C)N1CCOCC1)c1ccc(N2CCC(O)CC2)cc1	248150212	QQSUZBIEHORCJL-BZSNNMDCSA-N	361.530	2.408	10	10	FECE	
CCCNC(=O)CCCC(=O)NCc1cc(Br)ccc1O	804739934	ZPVAPONYOYNRJU-UHFFFAOYSA-N	357.248	2.467	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C/[C@@H]1CCCO1	819463566	TXSROTFLFNFZMC-DYLGSBMWSA-N	353.802	2.282	10	10	FECE	
CC(C)C[C@H](NCc1cc(Cl)c(F)cc1O)C(=O)NCCN(C)C	816559182	AUPCGDUONAUOAG-HNNXBMFYSA-N	359.873	2.367	10	10	FECE	
O=C(Nc1cccc(N2CCOCC2)c1)c1cccc2nc(CO)[nH]c12	906354562	ZAGZYJFVBKUTID-UHFFFAOYSA-N	352.394	2.144	10	10	FECE	
COC(=O)[C@@H]1CC[C@H](C(=O)N2CCCN(c3ccc(OC)cc3)CC2)C1	839557589	ZDPUHBQDWQRBSS-JKSUJKDBSA-N	360.454	2.323	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1	830957809	NQIPWTYYQBJVJY-VAMGGRTRSA-N	359.514	2.384	10	10	FECE	
O=C(O)CC[C@@H]1CC[C@H](C(=O)NCc2cc(Br)ccc2O)O1	911555701	LTNPBWCRSDROPC-WCQYABFASA-N	372.215	2.183	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)NCCC3(CO)CCC3)C2)cc1	845267995	JEFVBCLBWOESDM-MRXNPFEDSA-N	361.486	2.373	10	10	FECE	
CCN(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCOC1	844896498	BBZHCSOHTARUQX-INIZCTEOSA-N	365.449	2.373	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N3CCn4nncc4C3)cc2)CC1	847313782	MCJWDNBTIJJYKM-UHFFFAOYSA-N	354.458	2.240	10	10	FECE	
Cc1cc(CC(=O)NCCN2CCC(O)CC2)c(C)n1-c1ccccc1	854852577	WYRQZBGUJYXOOY-UHFFFAOYSA-N	355.482	2.210	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@H](n4cc(C)cn4)C3)C2)cc1	852447741	DOCZEDNUSNKVNQ-SJLPKXTDSA-N	369.469	2.435	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C[C@@H]1CC2(CNC2)CO1	923315700	YEMOATBOOSECJM-AWEZNQCLSA-N	355.276	2.355	10	10	FECE	
CCOC(=O)COCCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C	854783150	HKVNDSJAHJXOAD-UHFFFAOYSA-N	358.438	2.333	10	10	FECE	
CC(C)(CNCc1ccc(N2CCOCC2)c(F)c1)C(=O)N1CCCC1	858292129	BERJXTVCQYCTCN-UHFFFAOYSA-N	363.477	2.401	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H](C)n4ccnc43)C2)cc1	852372485	CDIYLELMOHFRBT-JKIFEVAISA-N	355.442	2.476	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cn4c(n3)CC[C@H](C)C4)C2)cc1	857964827	YMLCXQSECUJQDS-GJZGRUSLSA-N	354.454	2.483	10	10	FECE	
COc1ccc(N2CCC(NC(=O)[C@]3(CC(C)C)CCNC3=O)CC2)cc1	865115055	BQCBQYSTIHCISC-NRFANRHFSA-N	373.497	2.333	10	10	FECE	
O=C(NCc1cccc(Br)c1O)c1ccc([N+](=O)[O-])cn1	765751905	UMYAGPLUPBRFNF-UHFFFAOYSA-N	352.144	2.388	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C3CN(CC(F)(F)F)C3)CC2)cc1	776344608	VOTUZGKCFWEIKN-UHFFFAOYSA-N	371.403	2.274	10	10	FECE	
Cc1c(NC(=O)Cc2ccc(O)c(O)c2)cccc1N1C(=O)CCNC1=O	1138961119	GJWHXPDUFFQKAW-UHFFFAOYSA-N	369.377	2.034	10	10	FECE	
CN(C)c1ncn(-c2cccc(NC(=O)NCc3ccccc3O)c2)n1	799417249	HPJUYGPOKBVMQK-UHFFFAOYSA-N	352.398	2.361	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](OC)C(=O)OC(C)(C)C	1136428666	HUSAXEWIHWYMLY-MRXNPFEDSA-N	350.459	2.458	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)NC1(CO)Cc2ccccc2C1	798108678	FNRFTVQFDHMRNL-UHFFFAOYSA-N	353.466	2.390	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(-c2ccccn2)n1CC(C)(C)O	1517143283	ZLQKIYHAKQKHLC-UHFFFAOYSA-N	353.426	2.453	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCc1cccc(CN2CCCC2=O)c1	1464835940	IUTRMMSBPZITOT-UHFFFAOYSA-N	354.406	2.079	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@](C)(O)C1CC1	1466398176	JWOWYYSTHODGIR-KRWDZBQOSA-N	355.818	2.098	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCc1cc2c(cc1OC(F)F)OCO2	1466045619	AYYKIHCLMONQKT-UHFFFAOYSA-N	367.304	2.287	10	10	FECE	
O=C(NCc1ccc(-c2nncnn2)cc1)NCc1cccc(Cl)c1O	1470683603	WXBWWRISNWCNHY-UHFFFAOYSA-N	370.800	2.292	10	10	FECE	
COc1cccc(O)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1558723887	YPSWWTKICVJDDX-INIZCTEOSA-N	357.454	2.500	10	10	FECE	
Cc1nnc([C@H](C)NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)o1	1565488013	LAPYJYSNUGGYFA-ZDUSSCGKSA-N	373.457	2.147	10	10	FECE	
CCCCC1(NC[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CC1	1655834755	OEOILZKKTWDOLQ-LJQANCHMSA-N	361.530	2.491	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CC[C@@H](CN=[N+]=[N-])C3)[C@@H]2C1	2124537277	XBKUZVYXGNAKLS-XUXIUFHCSA-N	365.434	2.027	10	10	FECE	
Cn1ncc(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)c1CNC(=O)OC(C)(C)C	2124503621	NBQBFJQWAVCUFO-NSHDSACASA-N	363.422	2.217	10	10	FECE	
COc1ccc(O)c(CNC[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)c1	1964582541	IGYBPHLWIUJBRJ-AWEZNQCLSA-N	366.458	2.374	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CC(=O)N(CC2CC2)C1	1683426672	ZOKYDBARCIHZSE-YJBOKZPZSA-N	372.513	2.302	10	10	FECE	
Cc1ccccc1C(=O)N1CCC(NC(=O)c2cc(O)c(O)c(O)c2)CC1	169859814	UIFREYBOCJAXQP-UHFFFAOYSA-N	370.405	2.146	10	10	FECE	
CCOC(=O)CCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C	1866119180	YSICGMKZWRNBLA-GOSISDBHSA-N	358.442	2.035	10	10	FECE	
COc1ccc(N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1	2131036281	VTHZOZYPWWDNSB-VXGBXAGGSA-N	367.402	2.068	10	10	FECE	
C[C@@H]1C[C@H](CNCc2cc(Br)ccc2O)CCS1(=O)=O	1967902238	RDVUCPJKSOLGFL-GHMZBOCLSA-N	362.289	2.458	10	10	FECE	
O=C(O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1c1ccc(O)c(O)c1O	1951666262	WCQDVZKNNMMYNO-KBPBESRZSA-N	373.361	2.240	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](NCc2ccc(O)c(O)c2O)C1	2042923091	JANQKXVFFIDCSH-OYHSWFHJSA-N	356.394	2.288	10	10	FECE	
CO[C@H]1C[C@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2060611026	OMEKQWSPDDPEBG-FRRDWIJNSA-N	353.423	2.312	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)N2CC[C@H](N=[N+]=[N-])C2)CN(C(=O)OC(C)(C)C)C1	2060632888	HASYNMQCGHAUEX-RWMBFGLXSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)COc2ccc(N)cc2)C12CC2	2106257303	IRIKGXRUEZTACP-HNNXBMFYSA-N	361.442	2.306	10	10	FECE	
CN1CC(CN(C)c2ccc(CNC(=O)OC(C)(C)C)cc2)(C(=O)O)C1	2106581738	NDGAWJPWPMPWDA-UHFFFAOYSA-N	363.458	2.164	10	10	FECE	
CN(C)C[C@@H](O)CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21	2106608696	VZEBVFHWDZJKHP-QGZVFWFLSA-N	363.502	2.386	10	10	FECE	
CCN(c1ccc(CO)cc1Br)[C@@H](C)CS(C)(=O)=O	2114019212	APNNPGXJWWOYQR-JTQLQIEISA-N	350.278	2.201	10	10	FECE	
CC(=O)Nc1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1	2296347538	QOLXMINZPJBCKT-UHFFFAOYSA-N	364.361	2.224	10	10	FECE	
CN1CCc2cc([C@H](O)CNS(=O)(=O)C=Cc3ccccc3)ccc21	2297572271	MSXWTAXAUKQDLA-LJQANCHMSA-N	358.463	2.303	10	10	FECE	
CCOC(=O)[C@H](C)N(C(=O)C=Cc1ccc(N2CCOCC2)cc1)C1CC1	2311255794	PULVUZZXLXETLJ-INIZCTEOSA-N	372.465	2.479	10	10	FECE	
COC(=O)[C@@H](C)CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	177580624	JRBGZZIYKGTWEW-MAUKXSAKSA-N	362.470	2.459	10	10	FECE	
COc1ccc(N2CCN(S(=O)(=O)[C@@H](C)C(F)(F)F)CC2)cc1F	184658290	UYYHZHULKPBOSC-JTQLQIEISA-N	370.368	2.237	10	10	FECE	
COc1cccc(CNC(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)c1O	278224560	FBCMENMMNCIDSR-CYBMUJFWSA-N	358.320	2.237	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC(c3nncn3C)CC2)c([N+](=O)[O-])c1	298471125	PUXWBEXVJQSKOT-GQCTYLIASA-N	371.397	2.294	10	10	FECE	
CCO[C@@H]1C[C@H](N[C@@H](C)c2cc(C(=O)OC)ccc2O)[C@H]1n1cccn1	815660004	PMLROSVOYLKUHT-PWUKJLEFSA-N	359.426	2.445	10	10	FECE	
CCOC(=O)C(F)(F)[C@@H](N)c1c(Br)ccc(C(=O)O)c1O	725274869	SOGPIMBFIOEQNA-VIFPVBQESA-N	368.130	2.051	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CC[C@@]2(CCCOC2)C1	823518750	BENATCAYRHERNA-NRFANRHFSA-N	373.497	2.360	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](O)C(Cl)(Cl)Cl	907275915	XRRYHTGEHAUVBO-CPCISQLKSA-N	356.633	2.266	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1	822004401	BZSUEGNNFGAEDA-GDBMZVCRSA-N	367.515	2.250	10	10	FECE	
CN(C)c1ccc([C@H](N)CNC(=O)c2cnn(CCC(F)(F)F)c2)cc1	832284684	MATRBCJVNUMHKY-OAHLLOKOSA-N	369.391	2.331	10	10	FECE	
COC(=O)[C@@H]1CSCCN(C(=O)NCc2ccc(N(C)C)cc2C)C1	840302697	SFSNODMPSZMAAD-HNNXBMFYSA-N	365.499	2.109	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)NCc3cncc(O)c3)C2)cc1	922950262	GSRONLVXYMPGTM-AWEZNQCLSA-N	356.426	2.122	10	10	FECE	
OC1CCN(c2ccc(CNC[C@@H]3CCC4(CCOCC4)O3)cc2)CC1	922807073	AAEPCYQRZTXUMX-FQEVSTJZSA-N	360.498	2.466	10	10	FECE	
Cc1ccc(O)c(CNC[C@@]2(CO)COCCN2Cc2ccccc2)c1	850395175	DDBOISWFSGHFEV-OAQYLSRUSA-N	356.466	2.054	10	10	FECE	
COC(=O)CCCCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	851938864	ZYQZDZJPBHWNCH-OAHLLOKOSA-N	363.458	2.307	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cccc(O)c3[N+](=O)[O-])C2)cc1	855227049	VKEUHEADCGRVOG-GFCCVEGCSA-N	357.366	2.318	10	10	FECE	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3COC(=O)N3)c2C)cc1	859909160	JSNDRHYPFFJQJR-INIZCTEOSA-N	356.378	2.237	10	10	FECE	
CO[C@]1(CO)CCCN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1	854176350	FFGXCVYKFCNHPZ-OXJNMPFZSA-N	363.502	2.175	10	10	FECE	
C[C@@H](NC(=O)NC[C@]1(O)C[C@H]2C=C[C@H]1C2)c1ccc(N2CCOCC2)cc1	853487573	RCLAUHGRWOLEFO-JIYIMXKPSA-N	371.481	2.211	10	10	FECE	
COC[C@@H](NC(=O)N[C@H](C)c1cc(OC)ccc1O)C1CCOCC1	852468749	SXCRTHZJAQBBNI-MLGOLLRUSA-N	352.431	2.203	10	10	FECE	
COc1ccc(N2CCN(C(=S)NC[C@H]3CCCO3)CC2)cc1F	753961533	JLBMIHIKGHIZSP-CQSZACIVSA-N	353.463	2.010	10	10	FECE	
NC(=O)C[C@H]1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CCO1	862535324	JFVGLROUKUCUCF-FQEVSTJZSA-N	365.477	2.326	10	10	FECE	
COC(=O)[C@]1(OC)CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)C1	862475235	DIQJDUJAKMOMRQ-IBGZPJMESA-N	351.443	2.462	10	10	FECE	
C[C@@]1(CCNC(=O)C(=O)NCCCSc2nccs2)CC1(F)F	1118616702	VXOWEDVFYQUTPT-CYBMUJFWSA-N	363.455	2.293	10	10	FECE	
O=C(O)c1cccc(Cl)c1NS(=O)(=O)c1cccc2nonc12	776443143	NTFXNOBDCCPJLG-UHFFFAOYSA-N	353.743	2.375	10	10	FECE	
COC(=O)[C@@H]1[C@@H](CN[C@@H](C)c2ccc(N3CCOCC3)cc2)C1(F)F	894208790	LNSJKAUMTBNFKD-MAZHCROVSA-N	354.397	2.228	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@H](O)c1ccc(F)cn1	799307821	PQHMAPMFOUGJNF-INIZCTEOSA-N	368.792	2.288	10	10	FECE	
CN(C)c1ccc(CNC(=O)NC2(CO)Cc3ccccc3C2)cc1F	798108279	NXTHZAFKOIWNOV-UHFFFAOYSA-N	357.429	2.221	10	10	FECE	
COC(=O)[C@@](C)(NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)cc1	794712348	SEXBDBNCSRXPGZ-KBMDHIKASA-N	359.353	2.455	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)NC(C)(C)C(F)F)CC2)cc1	792058236	SGUNXBKFPHHKLR-UHFFFAOYSA-N	370.444	2.160	10	10	FECE	
O=C(NCc1nc([C@H]2CCCO2)n[nH]1)NCc1cccc(Cl)c1O	1312923852	MDSLPMYQEVNFFW-LLVKDONJSA-N	351.794	2.015	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@]1(C)C(=O)NCCc1ccc(O)c(O)c1	1963688573	XLISAHMISDRSHC-SFHVURJKSA-N	350.415	2.156	10	10	FECE	
COC[C@H](F)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1O	1315822448	ULXYCNIKGNOECR-HUUCEWRRSA-N	364.421	2.109	10	10	FECE	
COc1cc([C@H](C)NC(=O)c2cccc(O)c2O)ccc1S(C)(=O)=O	1472398944	FXKFSCKCNODNHW-JTQLQIEISA-N	365.407	2.001	10	10	FECE	
CC[C@@H]1C[C@H]1C(=O)NC/C=C/CNC(=O)c1ccc(N=NC(N)=O)cc1	1705068330	ZERLFEXWABCLLK-YEOWQQHJSA-N	357.414	2.297	10	10	FECE	
CS(=O)(=O)c1cc(C(=O)NCc2cccc(Br)c2O)co1	1623364400	QFCGPADOFXVQGJ-UHFFFAOYSA-N	374.212	2.081	10	10	FECE	
CCCn1c(=O)n(CCC(=O)NCc2cc(O)ccc2O)c2ccccc21	1643879396	NYIBGTRXPVNSKW-UHFFFAOYSA-N	369.421	2.331	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC(N=[N+]=[N-])C2)[C@H]2CCO[C@@H]2C1(C)C	2124511155	BRNZCSUBQRHNMR-PRXAMGSTSA-N	365.434	2.216	10	10	FECE	
CO[C@@H](CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@H]1CCOC1	1674312152	PGAMGNCBOBXJAQ-HKUYNNGSSA-N	361.486	2.480	10	10	FECE	
CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@]1(C)CN(C)C1=O	1692080120	PPADMKNAAIWLCV-HXUWFJFHSA-N	371.485	2.297	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CCC2)n1CC1(O)CCOCC1	1696700331	ZYUJLUGDNXCBFT-UHFFFAOYSA-N	372.469	2.429	10	10	FECE	
C[C@H](CN[C@H](C)c1ccc(N2CCC(O)CC2)cc1)CN1CCOCC1	153115503	OBAVMEADLHCBTE-QZTJIDSGSA-N	361.530	2.267	10	10	FECE	
CN(C)CCOc1ccc(N(C)Cc2nnnn2Cc2ccccc2)cc1	2195374226	ASGLNSVGINMZPA-UHFFFAOYSA-N	366.469	2.298	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cccc(F)c2O)CC1	2070020206	WBLLYTSNFJOMSV-UHFFFAOYSA-N	354.422	2.383	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@H](CNC(=O)COc2ccc(N)cc2)C1	2106237859	UNLFHUMKNHFTMN-ZFWWWQNUSA-N	363.458	2.457	10	10	FECE	
CN(Cc1nc(C(=O)O)no1)c1ccc(CNC(=O)OC(C)(C)C)cc1	2106580932	CUXXJYBZTAADLI-UHFFFAOYSA-N	362.386	2.429	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-])[C@H]1CCOC1	2218739329	FNGGLGQJNGSPAE-LOWDOPEQSA-N	353.423	2.264	10	10	FECE	
COC(=O)/C=C/c1ccc(N(CCO)Cc2cccnc2)c([N+](=O)[O-])c1	172820949	MQZKWVUJQPQZNA-FNORWQNLSA-N	357.366	2.175	10	10	FECE	
CN(c1ccc(CO)cc1Br)[C@H]1CC[C@H](S(C)(=O)=O)C1	2361705264	ZPNYXIKQTUJYHG-RYUDHWBXSA-N	362.289	2.343	10	10	FECE	
COc1ccc(CN(C)C[C@]2(O)CCN(Cc3ccccc3)C2)c(O)c1	190317381	CJIRXJDNXWPMPB-OAQYLSRUSA-N	356.466	2.470	10	10	FECE	
CCOC(=O)C1(O)CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1	265785523	SHZHTRJXWRVTPH-UHFFFAOYSA-N	371.437	2.019	10	10	FECE	
COC(=O)c1ccc(O)c([C@@H](C)NCc2cccc(N3CCOCC3)n2)c1	274799240	UNTKYSJZYOZZND-CQSZACIVSA-N	371.437	2.261	10	10	FECE	
CN(Cc1ccc(F)cc1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	807288598	YEBSDEKCQHSIGU-UHFFFAOYSA-N	367.424	2.477	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC[C@H](OC(F)F)C1	802005377	FOPQQEGMSWDYNF-ZDUSSCGKSA-N	373.375	2.185	10	10	FECE	
O=C(NCCCSc1nccs1)c1coc2c1C(=O)NCCC2	906670947	MXIYCSBDOVLYBP-UHFFFAOYSA-N	351.453	2.324	10	10	FECE	
COC(=O)CCCCC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	837708839	COXSWELIHLSZOD-UHFFFAOYSA-N	370.396	2.151	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@@]2(C)C1=O	839953455	RDCKMNKNYRQVMB-ROWPZFDLSA-N	353.466	2.339	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCO[C@@]2(CCOC2)C1	840482350	WSDVGTOIZVXVKI-JXFKEZNVSA-N	361.486	2.193	10	10	FECE	
CCON(CC)C(=O)CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	858542943	CZHUNKPFKSANDL-OAHLLOKOSA-N	364.490	2.091	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N(C)Cc3cccc(O)n3)C2)cc1	923186842	KCISZLMIJCKKFL-OAHLLOKOSA-N	356.426	2.216	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCO[C@](C)(C2CC2)C1	850626362	SLXCCIOASLUNAD-FQEVSTJZSA-N	360.454	2.158	10	10	FECE	
Cc1cncn1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	858626073	NHZCGDBCNZQDAZ-HUUCEWRRSA-N	360.433	2.261	10	10	FECE	
COCc1nc([C@@H]2COCCN2Cc2cc(F)c(N(C)C)cc2F)no1	862303411	RJSSXHJEIIVKIW-HNNXBMFYSA-N	368.384	2.134	10	10	FECE	
Cc1[nH]nc(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)c1C	768914924	KOKJIIZOZZZNIN-UHFFFAOYSA-N	367.497	2.489	10	10	FECE	
CO[C@@](C)(C(=O)NCc1ccc2cccnc2c1O)C(=O)OC(C)(C)C	862025008	KRAVWXQIYAXMFZ-IBGZPJMESA-N	360.410	2.303	10	10	FECE	
Cn1c(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)nc2cnccc21	865457700	OLHMEQGAZGDHCF-OAHLLOKOSA-N	364.453	2.282	10	10	FECE	
CC[S@@](=O)c1ccccc1C(=O)N1CCS(=O)(=O)C(CC)(CC)C1	779361219	PUSVFLFIMXWCGX-HSZRJFAPSA-N	371.524	2.244	10	10	FECE	
O=C1O[C@H]2CNC[C@H]2N1[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C1	872255106	PKVMKARPQMVWIH-BNOWGMLFSA-N	372.252	2.066	10	10	FECE	
CCOC(CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)OCC	785955581	LZUKEHNROSXBBU-OAHLLOKOSA-N	350.459	2.490	10	10	FECE	
C[S@](=N)(=O)N1CCN(Cc2cc(Br)cc(F)c2O)CC1	895471481	XGTAJNQTYOVVRZ-HXUWFJFHSA-N	366.256	2.003	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@H]4C[C@@H]4C3)cc2)CC1	894593342	RISHFIDOIXKMTL-RCCFBDPRSA-N	355.482	2.441	10	10	FECE	
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NCc1cc(O)ccc1O	1153886076	VLCREMJBWWSGLO-LBPRGKRZSA-N	354.428	2.024	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCO[C@]3(CCSC3)C2)c([N+](=O)[O-])c1	1328136074	YWBFOBRJMXXEPK-MAVJXHJTSA-N	364.423	2.493	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N[C@H](C)c1cncs1	1351482229	LLVIFDAZLSLUPH-ZIAGYGMSSA-N	374.510	2.442	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2C[C@@H]1CN(CCC(=O)Nc1ccc(N)cc1)C2	2117038742	DDWQPCFCNQGDKG-IYBDPMFKSA-N	360.458	2.291	10	10	FECE	
COc1ncc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1Cl	1462486405	MBEDROWKOTUNMX-UHFFFAOYSA-N	374.872	2.425	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1ccc(CS(=O)(=O)C(F)F)cc1	1626837883	IPORLEFKXQJGIW-UHFFFAOYSA-N	371.361	2.165	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CSCCN1Cc1ccccc1	1632857973	MIZHHECGHSAAKD-KRWDZBQOSA-N	372.490	2.374	10	10	FECE	
Cc1ccc(C(=O)Nc2n[nH]c(C)c2I)c(O)c1O	1631373459	ISXJMBKUURHARU-UHFFFAOYSA-N	373.150	2.295	10	10	FECE	
C[C@H](N[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O)c1ccccc1O	1560074970	NBIDONJTASGTBQ-UCLAIMLFSA-N	356.422	2.425	10	10	FECE	
C[C@@H](NC(=O)[C@@H]1COCCN1CC(F)(F)F)c1ccc(N(C)C)cc1	1634448200	LWJCCXCFQYHHQR-DOMZBBRYSA-N	359.392	2.193	10	10	FECE	
COC(=O)N(C)CCNC(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2	1588152520	KIAVGFWDPJMTLY-UHFFFAOYSA-N	373.453	2.343	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2124538542	KUEPENIRMSBLQU-HZSPNIEDSA-N	367.450	2.438	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COC[C@@]1(C)C(=O)N1CCC(CN=[N+]=[N-])CC1	2124532651	LKABNBPJNCLKFO-SUMWQHHRSA-N	367.450	2.465	10	10	FECE	
CCOc1cccc(CN2CCc3nnc([C@@H]4CCCO4)n3CC2)c1O	19744045	RHMAMWQTYBWLEW-INIZCTEOSA-N	358.442	2.292	10	10	FECE	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCCNC1	166290108	QJFLWBBDYUOLJI-CYBMUJFWSA-N	353.413	2.373	10	10	FECE	
Cc1ccc(O)c(CNCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1	1857867944	JTRMOAQNFBUJQB-UHFFFAOYSA-N	357.429	2.278	10	10	FECE	
CN(Cc1cnnn1C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2	2156465238	CTGLASWZBJGRBG-UHFFFAOYSA-N	372.473	2.327	10	10	FECE	
CNCc1ccc(N(CCS(C)(=O)=O)C2CC2)cc1Br	2170161757	JRAPMMKHWWCQII-UHFFFAOYSA-N	361.305	2.182	10	10	FECE	
COC(=O)c1cnn(Cc2cccc(C)c2O)c1I	2070364634	YKDZKHYGVGBTRF-UHFFFAOYSA-N	372.162	2.337	10	10	FECE	
CC(C)(C)OC(=O)NCCO[C@@H]1CCN(Cc2cc(N)ccc2O)C1	2049894423	XDIJHKHHIFGLGA-OAHLLOKOSA-N	351.447	2.090	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CC[C@@H](N=[N+]=[N-])C2)OC(C)(C)C1	2060639317	GQTIDPYTESMFDY-NEPJUHHUSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2060638628	ZGVXGWWWCPJLAB-YNEHKIRRSA-N	353.423	2.218	10	10	FECE	
C[C@@](NC(=O)C(F)(F)F)(C(=O)NCC1(CN=[N+]=[N-])CC1)C(F)(F)F	2060639653	KMPPLUMVGHGDEC-MRVPVSSYSA-N	361.246	2.193	10	10	FECE	
COC[C@@]1(NC(=O)Nc2ccc(N)cc2)CCN(C(=O)OC(C)(C)C)C1	2106287822	FUNBCXAYSRYTEU-GOSISDBHSA-N	364.446	2.416	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(O)c(O)c2)C[C@@H](F)C1	2219134150	QXENRBHBJZLPTN-NEPJUHHUSA-N	354.378	2.175	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)Nc1nc2ccc(F)cn2n1	2298127298	AMJZNWWEQKUZIH-UHFFFAOYSA-N	367.384	2.357	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N1CCN(CCOc2ccccc2)CC1	2307982291	XXYQQNXROXMAEA-UHFFFAOYSA-N	368.433	2.334	10	10	FECE	
Cn1c(CCNC(=O)C=Cc2ccc(O)c(O)c2)nc2ccc(F)cc21	2307987184	JQOXIQUDJQZZOS-UHFFFAOYSA-N	355.369	2.496	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)NCc1ccc(N2CCOCC2)c(F)c1	2307996702	LGBSNAMTKVPJRV-UHFFFAOYSA-N	372.396	2.403	10	10	FECE	
Cc1ncc(CN2CCN(C(=O)C=Cc3ccc(O)c(O)c3)CC2)s1	2308001252	OWMUVJPTWHDOTK-UHFFFAOYSA-N	359.451	2.220	10	10	FECE	
C[C@H](NC[C@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1c(O)cccc1O	2330273850	IEVWGLCOQAULBG-VPWBDBDCSA-N	366.458	2.413	10	10	FECE	
Cc1cc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(C)n1-c1ccccn1	173806554	PBJJFDWGMKNUJP-BEFAXECRSA-N	368.481	2.282	10	10	FECE	
Cc1cc(C(=O)N(C)CC(=O)N2CCOCC2)c(C)n1-c1ccccc1	72780837	SZSBWFJRVSUBKW-UHFFFAOYSA-N	355.438	2.025	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@H]3CCCO[C@@H]3C)cc2F)CC1	191430152	KZTQOGALJWUGNJ-WBVHZDCISA-N	363.477	2.399	10	10	FECE	
CCN(CC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)C1CC1	92126402	ZXCAGVAJIWYMEU-UHFFFAOYSA-N	370.541	2.319	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N1CCCC[C@@H]1c1nc[nH]n1	255335622	RXBUGEVIORJSJV-OTIVFRFGSA-N	367.453	2.408	10	10	FECE	
CN(C)c1ccc(CNC(=O)/C=C\c2ccc(OCC(N)=O)cc2)cc1F	255717303	AHZRRMGZPDFVQA-POHAHGRESA-N	371.412	2.085	10	10	FECE	
CC(C)(C)C(=O)N1CCO[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1	365662287	RRJRJAOPISKDQI-SFHVURJKSA-N	374.481	2.161	10	10	FECE	
CSCCCCNC(=O)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	817831099	JHALHZAIKISAPU-HNNXBMFYSA-N	365.543	2.368	10	10	FECE	
COCc1cc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)ncn1	821993535	KHXPABWTBLCKAV-CYBMUJFWSA-N	357.414	2.032	10	10	FECE	
CC[C@@H]1[C@H](CO)CCN1C(=O)NC1CCN(c2ccc(OC)cc2)CC1	838190793	LIKCVSWWEDLSPU-HNAYVOBHSA-N	361.486	2.466	10	10	FECE	
Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c(C)n1-c1ccccn1	834336026	AJNXSJDWLQKJPX-ZHALLVOQSA-N	369.465	2.491	10	10	FECE	
CN(C)c1ccc(CNC(=O)Nc2cccc(O[C@@H]3CC(=O)N3)c2)cc1F	841777286	YQAFYPXVCVNUFT-GOSISDBHSA-N	372.400	2.438	10	10	FECE	
CN(C)CCn1cc(NC(=O)NCc2ccc3c(c2)CCCN3C)cn1	747557857	RJNYYGORSNCWCJ-UHFFFAOYSA-N	356.474	2.149	10	10	FECE	
NCC(=O)N1CCC[C@@H](CN2CCCc3cc(OC(F)F)ccc32)C1	841011255	FYVZGPHJKWYCSH-ZDUSSCGKSA-N	353.413	2.238	10	10	FECE	
CC[C@@H](NC[C@H](O)CS(C)(=O)=O)c1ccc(Cl)c(Cl)c1O	927023027	GIHQJWASIVKMHV-GZMMTYOYSA-N	356.271	2.145	10	10	FECE	
Cc1cc(CC(=O)NOCCN2CCCC2=O)c(C)n1-c1ccccc1	856044112	QQWHLCGMZYXVBK-UHFFFAOYSA-N	355.438	2.307	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cnc4cc(OC)ccn34)C2)cc1	855222769	ACHHVPDKSRHJCH-AWEZNQCLSA-N	366.421	2.360	10	10	FECE	
COc1ccc(N2CCN(CCNC3CC4(CO[C@@H](C)C4)C3)CC2)cc1	924831148	HZYLSXNZHUAEHV-XPQZIERPSA-N	359.514	2.364	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)NCC[S@](=O)CC(F)(F)F)c1	852461830	LFKBSTWZQMWTNF-VHMAXNEBSA-N	368.377	2.072	10	10	FECE	
CCS(=O)(=O)CCN(C)Cc1c(O)c(C(=O)OC)cc2ccccc12	758390084	NXNPDKJSJDQOCF-UHFFFAOYSA-N	365.451	2.199	10	10	FECE	
CN(C)c1ccc(/C=C\CNc2ccn(CCN3CCNC3=O)n2)cc1	922591295	VEWIQWJACVKGOC-ARJAWSKDSA-N	354.458	2.100	10	10	FECE	
COc1ccc(N2CCC(NCc3c4c(nn3C)CCOC4)CC2)cc1	921657560	VSFKMRMQDWIKOR-UHFFFAOYSA-N	356.470	2.260	10	10	FECE	
C[C@@H](NCC[C@@H]1CNCCS1(=O)=O)c1cc(Cl)c(Cl)cc1O	925788568	KEOKEZPQPHTBBD-NXEZZACHSA-N	367.298	2.126	10	10	FECE	
CNCCCC(=O)N1CCC(NCc2c(O)ccc(Cl)c2F)CC1	853248245	PQYHSINTUJCOFK-UHFFFAOYSA-N	357.857	2.265	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NC2CC3(CO[C@H](C)C3)C2)cc1	929526540	SCSZSYIQALLQNM-FPPRHVDESA-N	373.497	2.223	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H](CCC(C)C)NC(C)=O)C2)cc1	855226267	QUPFFLDPJBLGRP-VQIMIIECSA-N	361.486	2.331	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cccc4nc(O)[nH]c34)C2)cc1	855227403	WFRPIZYXFHNAIP-LBPRGKRZSA-N	352.394	2.286	10	10	FECE	
COCc1cc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)ncn1	930429679	QGAYTXZOKRJPAE-KRWDZBQOSA-N	372.473	2.113	10	10	FECE	
Nc1ccc(CCNC(=O)C(=O)N[C@H]2CCc3cc(Cl)ccc32)cc1	861776175	HJLNUOONCYABQV-KRWDZBQOSA-N	357.841	2.385	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)N3CCC=C(F)C3)CC2)cc1	764692901	DTWXPOQUMWZFPP-UHFFFAOYSA-N	362.449	2.086	10	10	FECE	
COC[C@@]1(C(=O)OC(C)(C)C)CCN(C(=O)c2ccc(C)c(O)c2O)C1	870521039	CROFBCRFDAHUHD-LJQANCHMSA-N	365.426	2.227	10	10	FECE	
OC[C@@H]1COCC[C@H]1NCc1cc(Cl)cc(Br)c1O	1878774523	LCCCPIMFFVJIET-BXKDBHETSA-N	350.640	2.295	10	10	FECE	
COc1cc(O)c(CN[C@@]2(CO)CCc3c(OC)cccc32)cc1OC	895634747	OCIVCWIJHMEQDT-HXUWFJFHSA-N	359.422	2.342	10	10	FECE	
COc1ccccc1-c1nnc(CC(=O)NCc2cccc(O)c2O)o1	1176576455	MSOPSJQLMNCTAE-UHFFFAOYSA-N	355.350	2.015	10	10	FECE	
O=S1(=O)[C@H]2CC[C@H]1CN(Cc1c(O)cccc1Br)CC2	707130992	ZLOAIXPMLLHYRM-QWRGUYRKSA-N	360.273	2.306	10	10	FECE	
Cc1nn(C)cc1C1=NO[C@H](C(=O)Nc2c(Cl)ccc3nonc23)C1	1436137164	IBHVCPGXVYGSHD-LBPRGKRZSA-N	360.761	2.050	10	10	FECE	
Cc1cc(CC(=O)NCc2nc3ncccn3n2)c(C)n1-c1ccccc1	1525757250	JZEJVNREFWDVPU-UHFFFAOYSA-N	360.421	2.391	10	10	FECE	
CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCCC[C@H]1S(C)(=O)=O	1465386414	AVDRUUKMRVMNMD-UONOGXRCSA-N	366.443	2.277	10	10	FECE	
O=C(CCCc1nc(O)c2ccccc2n1)NCc1cc(O)ccc1O	1471660957	OMILNHKPKWUIRH-UHFFFAOYSA-N	353.378	2.386	10	10	FECE	
Cc1c[nH]cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1=O	1610016832	GKASVXYFZVRMTH-OKILXGFUSA-N	373.428	2.366	10	10	FECE	
C[C@@H]1CN(c2ccc(C(=O)NCc3cc(O)ccc3O)cn2)C[C@@H](C)O1	1558174744	SURWTWZHBVFZHW-CHWSQXEVSA-N	357.410	2.036	10	10	FECE	
Cc1ccc(CN2CCO[C@H](CNC(=O)c3cccc(O)c3O)C2)cc1	1642892766	JNUWNWZONCOINH-MRXNPFEDSA-N	356.422	2.037	10	10	FECE	
CN(Cc1ccccc1O)C(=O)c1cc(CNC(=O)OC(C)(C)C)[nH]n1	2124295030	KVBMJFLHLKIMPP-UHFFFAOYSA-N	360.414	2.412	10	10	FECE	
Cn1cc(C(=O)N2CCC(CN=[N+]=[N-])CC2)c(=NC(=O)OC(C)(C)C)[nH]1	2124511507	DVAVNTKUEMCSGZ-UHFFFAOYSA-N	363.422	2.352	10	10	FECE	
Cn1c(C(=O)NCC2(CN=[N+]=[N-])CC2)cnc1CNC(=O)OC(C)(C)C	2124538676	MAKCSPKYSWOESA-UHFFFAOYSA-N	363.422	2.265	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCc2ncnn2C1	160945004	BNGWBXFMMODGRX-KRWDZBQOSA-N	368.485	2.425	10	10	FECE	
CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)/C=C/c1cncc(C)c1)CC2	153548462	XOCWZUQQOIDEOR-QPJJXVBHSA-N	371.462	2.291	10	10	FECE	
CCN1CCN([C@@H](C)CN[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1	155553758	WUYOCRCSXCKAPF-OALUTQOASA-N	360.546	2.200	10	10	FECE	
Cc1cc(C[C@@H](C)NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)n[nH]1	155807057	CVNNXWGNPZKHNP-SBJJXXPASA-N	354.454	2.315	10	10	FECE	
C[C@H](N=c1nc([C@@H](C)NC(=O)OC(C)(C)C)[nH][nH]1)c1c(O)cccc1O	2130119560	SAKRHPRSRSIJRL-VHSXEESVSA-N	363.418	2.397	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccc(O)c2O)[C@@H](F)C1	1649069108	HUAZHACXUGJYAO-RYUDHWBXSA-N	354.378	2.175	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C	1968792379	RDDWUXOLWJDQDT-CHWSQXEVSA-N	352.431	2.187	10	10	FECE	
O=S(=O)(CCCOCc1ccccc1)NCCc1ccc(O)c(O)c1	2031084842	ZMPPGZVDOFAIDG-UHFFFAOYSA-N	365.451	2.167	10	10	FECE	
CCNCc1ccc(N2CC(CS(C)(=O)=O)C2)cc1Br	2159454704	RTAFFVYLCKTGOZ-UHFFFAOYSA-N	361.305	2.039	10	10	FECE	
N[C@@H]1CC[C@@H](C(=O)O)N(Cc2cc(Cl)cc(Br)c2O)C1	2188782682	SGLPPXXNWQCCOY-KOLCDFICSA-N	363.639	2.184	10	10	FECE	
COC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccccc1O	2072476231	KHVDFCHWISLHOK-KPZWWZAWSA-N	352.431	2.499	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNCc2ccc(F)cc2O)C[C@@H]1O	2084174268	DZVPWPAZMMCMQW-XFJVYGCCSA-N	354.422	2.285	10	10	FECE	
C[C@@H]1C[C@H](CNC(=O)COc2ccc(N)cc2)CN1C(=O)OC(C)(C)C	2106264149	GSMRHCHHZFEIRA-ZIAGYGMSSA-N	363.458	2.409	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12CO[C@](C(=O)NCCCCN=[N+]=[N-])(C1)C2	2086119233	VKXOVPKDEHPOIU-IYBDPMFKSA-N	353.423	2.267	10	10	FECE	
C[C@@H]1COC[C@H](C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])N1C(=O)OC(C)(C)C	2218736886	CEPBDWTVNYCBCK-MROQNXINSA-N	353.423	2.358	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])C1	2218746615	RDFPXPZDOUFVIK-YNEHKIRRSA-N	353.423	2.360	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CO)C2)cc1OC	2226799986	WEPXMEBXKMQOGH-ZFWWWQNUSA-N	366.458	2.416	10	10	FECE	
COC(=O)CN(C(=O)C=Cc1ccc(N2CCOCC2)cc1)C1CCCC1	2299868723	UAIATNZBAGAXKR-UHFFFAOYSA-N	372.465	2.481	10	10	FECE	
COC(=O)C=Cc1ccc(N2CCC[C@H](Cn3ccnn3)C2)c([N+](=O)[O-])c1	2303247754	MKOVEIKVCUNFJM-HNNXBMFYSA-N	371.397	2.289	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)NCCCNC(=O)c1ccc(F)cc1	2308001146	DTVNYCHNVGCLJW-UHFFFAOYSA-N	358.369	2.186	10	10	FECE	
O=C(O)CCOc1ccc(C=C2SC(=S)N(CCCO)C2=O)cc1	2314929489	NJKODFRVNPAANQ-UHFFFAOYSA-N	367.448	2.124	10	10	FECE	
CC(C)(C)OC(=O)N1CC(OCCCNCc2ccc(O)c(O)c2)C1	2315420537	OOJZTZOEAWGQHF-UHFFFAOYSA-N	352.431	2.213	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)C[C@@H]1COCCN(C(=O)OC(C)(C)C)C1	2315988605	KJAYEQPYDWRHTQ-ZDUSSCGKSA-N	355.439	2.419	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CCCC[C@@H]1CO	175974281	VWUJIKSDKQJMAF-NVXWUHKLSA-N	365.449	2.013	10	10	FECE	
COCCNC(=O)Cn1cc(N[C@@H](C)c2cc3c(cc2O)CCCC3)cn1	186498305	FEVIVSLJKWCATD-AWEZNQCLSA-N	372.469	2.403	10	10	FECE	
CN(C)C(=O)Cc1nc(CN2CCOc3cc(N(C)C)ccc32)cs1	181128378	UECGXYAXAWUNAA-UHFFFAOYSA-N	360.483	2.239	10	10	FECE	
CN(c1cc2c(cc1Br)[C@H](N)C(=O)N2)[C@@H]1CCCC[C@@H]1O	131869122	AMGVLRQRZOODCC-XBFCOCLRSA-N	354.248	2.141	10	10	FECE	
COc1ccc(N2CCCN(S(=O)(=O)CCC(C)(C)OC)CC2)cc1	195354664	VJGFYZXDNJTTIK-UHFFFAOYSA-N	370.515	2.352	10	10	FECE	
COc1ccc(N2CCN(c3cc(C(=O)NC4CC4)nc(C)n3)CC2)cc1	243313295	LIZFPPHQSHFOFK-UHFFFAOYSA-N	367.453	2.012	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N[C@H]1c2ccccc2C[C@H]1O	255919380	BKDMPDSOKPOMHE-GODSMEOCSA-N	364.445	2.311	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN[C@H]2CCN(C)[C@@H]2c2ccccc2)cc1	289360126	IPIKTBXTGBIGTB-RBBKRZOGSA-N	366.509	2.404	10	10	FECE	
CC(=O)C(=O)COC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1	808494017	UPGWGPNUJWBTES-UHFFFAOYSA-N	355.375	2.311	10	10	FECE	
O=C(C[C@H]1CCCS(=O)(=O)C1)NCc1ccc(N2CCCC2)cc1	293429977	JFDLAXTUCJCFLJ-MRXNPFEDSA-N	350.484	2.118	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N(C)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21	2163019077	BAEQNXNLEMPFBT-VZEFYGNVSA-N	374.485	2.393	10	10	FECE	
CN(C[C@@H](O)CNCc1ccc2c(c1)CCCN2C)C(=O)OC(C)(C)C	818985464	UGSUCMVOVWEWKY-KRWDZBQOSA-N	363.502	2.386	10	10	FECE	
CCOc1ccc(O)c(CN2CCc3sc(S(N)(=O)=O)cc3C2)c1	827769245	GIUVMIZXGSHAHJ-UHFFFAOYSA-N	368.480	2.058	10	10	FECE	
CC(=O)N[C@H](C)COC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	835716863	DPVYPSIXVITQIB-OAHLLOKOSA-N	371.481	2.476	10	10	FECE	
Cn1cc(CNC(=O)N2Cc3cccc(O)c3C2)c(Br)n1	924562313	UHIQPSUMSLGFDA-UHFFFAOYSA-N	351.204	2.114	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)c3cncc(Cl)c3)C2)cc1	849416637	UKVXIJCJPIXMTM-ZDUSSCGKSA-N	367.858	2.301	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CC(CC4CC4)C3)cc2)C1	856844153	KORJFHNOLRJOOM-GOSISDBHSA-N	370.497	2.330	10	10	FECE	
Cc1cc(CNC(=O)N[C@@H](CO)c2ccnn2C)c(C)n1-c1ccccc1	858905694	CKXDJIQXPNIBHW-SFHVURJKSA-N	367.453	2.360	10	10	FECE	
C[C@@H](NC(=O)NC[C@@]1(O)C[C@H]2C=C[C@H]1C2)c1ccc(N2CCOCC2)cc1	853487574	RCLAUHGRWOLEFO-JQZBISMTSA-N	371.481	2.211	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]3[C@@H]3C[C@@H]43)cc2)CC1	867680976	LBUIUJZYARQVMG-OBJCFNGXSA-N	367.493	2.263	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)cc1	862135021	UAPFPFIUUGMTPF-LZJCXSABSA-N	370.474	2.181	10	10	FECE	
O=C(COCC(F)F)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	860242447	RKBHZKCPNVMKSG-ZDUSSCGKSA-N	362.804	2.408	10	10	FECE	
Cn1cc(CNCc2ccc(N3CCC(C(N)=O)CC3)cc2)c(Cl)n1	886325244	ZPWKNMREOYVKNX-UHFFFAOYSA-N	361.877	2.065	10	10	FECE	
COC(=O)[C@H]1[C@H](CNCc2ccc(N3CCC(CO)CC3)cc2)C1(F)F	894203821	WCMZYMRKNBHOSV-DLBZAZTESA-N	368.424	2.039	10	10	FECE	
COC(=O)c1c(CN[C@H](C)[C@@H](CO)SC)c2cc(F)ccc2n1C	894279814	AJVRPEKXTWROQY-MEBBXXQBSA-N	354.447	2.306	10	10	FECE	
N[C@@H]1C(=O)Nc2cc(N3C[C@H]4CSC[C@@H]4C3)c(Br)cc21	711585201	YGWXHIZYFFCWAU-UPFKWVMWSA-N	354.273	2.200	10	10	FECE	
CC(C)NC(=O)Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1O	1509768360	YWAHQVIUDJDKAE-UHFFFAOYSA-N	357.458	2.097	10	10	FECE	
C[C@@H](O)C(C)(C)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1351512383	DLVCJFJMPRCHDI-PBHICJAKSA-N	350.507	2.062	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CC2)n1C[C@@]1(O)CCSC1	1517145815	CMOCSNBBRWQKDC-SFHVURJKSA-N	360.483	2.366	10	10	FECE	
O=C(NCc1ccc(O)cc1O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1	1299574011	NKHXBECAXQDYJA-LLVKDONJSA-N	362.332	2.045	10	10	FECE	
CCc1ccccc1-n1cc(O)c(C(=O)NCc2cc(O)ccc2O)n1	1455354597	PFROZBLTGPYJBT-UHFFFAOYSA-N	353.378	2.482	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)Nc2nc(OC)n[nH]2)CCCC1	1466101856	SYTGPUAHYZQAEP-UHFFFAOYSA-N	355.398	2.294	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1ccccc1S(=O)(=O)C(F)F	1469161361	YVRIPSIFDUKZQV-UHFFFAOYSA-N	357.334	2.024	10	10	FECE	
COc1cc(N2CCN(C[C@H]3CCCC[C@H]3O)CC2)cc(OC)c1OC	1617064034	PCINNUXUKGXATO-NVXWUHKLSA-N	364.486	2.386	10	10	FECE	
Cc1cc(Cn2nnc(C(=O)N(C)Cc3ccc(N(C)C)cc3)c2C)no1	1540518386	MOWGGUASNWOYDX-UHFFFAOYSA-N	368.441	2.269	10	10	FECE	
Cc1cc(N(Cc2ccc(N(C)C)cc2)C2CC2)nc(S(C)(=O)=O)n1	1651406071	BZHXVENFHACYSJ-UHFFFAOYSA-N	360.483	2.424	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)CCOc1ccc(N)cc1	2125611856	ISJWVGJTUDPKMO-SCAQPMJSSA-N	361.442	2.019	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(CC(=O)NCCCCN=[N+]=[N-])CC1	1964942511	DJWOVZHXMXOIHX-UHFFFAOYSA-N	355.439	2.345	10	10	FECE	
COCCOCCn1c(C)nnc1N(C)Cc1ccc(N2CCCC2)cc1	1698221020	QSALFIDDFVJBKF-UHFFFAOYSA-N	373.501	2.486	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H](O)Cc3ccc(F)cc3)CC2)cc1	1858125298	KTLMTFBJOWBXDR-LJQANCHMSA-N	358.413	2.087	10	10	FECE	
CN[C@@H](c1ccccc1O)[C@@]1(O)CCN(C(=O)OCc2ccccc2)C1	1922460405	CGYNROXKOQDBGA-AZUAARDMSA-N	356.422	2.426	10	10	FECE	
C[C@@H](O)c1ccc(N2C[C@H]3CCS(=O)(=O)[C@H]3C2)cc1Br	2145047623	GJQNPQORTDYJFF-RULNRJAQSA-N	360.273	2.126	10	10	FECE	
Cn1nc(CNC(=O)c2ccc(O)c(O)c2)c(Br)c1Cl	2153066049	LNFKUSQNQGDGEW-UHFFFAOYSA-N	360.595	2.177	10	10	FECE	
C[C@@H]1[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)CCN1Cc1ccccc1	310685034	MAGDIUKBFQVYCI-BEFAXECRSA-N	359.495	2.351	10	10	FECE	
C[C@H](NCc1cc2c(cc1O)OCO2)C1CN(C(=O)OC(C)(C)C)C1	686276785	XMZQUYVLGNWAID-NSHDSACASA-N	350.415	2.466	10	10	FECE	
Oc1cc2c(cc1CNCC1(O)CCN(Cc3ccccc3)CC1)OCO2	397625411	KKSHOGMFZFSSLO-UHFFFAOYSA-N	370.449	2.238	10	10	FECE	
O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2C[C@@H](CN(Cc3ccccc3)C2)C1	2188910986	ZCJVTMILXNXUEL-HOTGVXAUSA-N	368.433	2.398	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1	2049787495	YVMILERIJIHYPM-SMSYFYOWSA-N	350.459	2.288	10	10	FECE	
CO[C@H]1C[C@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060612113	CJNUYXQGQQIJLF-RWMBFGLXSA-N	353.423	2.170	10	10	FECE	
C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)c1ccc(O)cc1O	2063340778	DMOVVTPIJYNIHC-NILFDRSVSA-N	352.431	2.119	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1CC(=O)N1CCC(N=[N+]=[N-])CC1	2067685956	QAGFGFNVPVIXKE-WCQYABFASA-N	353.423	2.218	10	10	FECE	
C[C@H]1CN(C(=O)COc2ccc(N)cc2)C[C@H]1CNC(=O)OC(C)(C)C	2106693620	DVDVSVRFBKLLEM-UONOGXRCSA-N	363.458	2.267	10	10	FECE	
CN1CCc2cc([C@](C)(N)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)ccc21	2106856628	BQFGGWMKLHUQKP-PXNSSMCTSA-N	361.486	2.489	10	10	FECE	
CC(C)(C)OC(=O)N1CCOCC[C@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2257617126	QFQVXNWYCFEQBK-OLZOCXBDSA-N	353.423	2.314	10	10	FECE	
C[C@H]1OC2(C(=O)N3CC[C@@H](CN=[N+]=[N-])C3)CC1(NC(=O)OC(C)(C)C)C2	2266071088	VBGHIJVUPLFMPF-YHSCQJQJSA-N	365.434	2.360	10	10	FECE	
COC(=O)c1ccc(C=C2SC(=S)N(CCC(=O)O)C2=O)cc1	2293034694	AWSDWAJDVYFTCG-UHFFFAOYSA-N	351.405	2.149	10	10	FECE	
COC[C@@]1(C(=O)N2CCC[C@H]2CN=[N+]=[N-])C=CCN1C(=O)OC(C)(C)C	2336338720	QYHANSQEWRVKPX-SUMWQHHRSA-N	365.434	2.480	10	10	FECE	
COc1cc(/C=C2\C(=O)NN=C2C)ccc1OCC(=O)Nc1nccs1	8337414	RSXSARIAKYXMSU-GHXNOFRVSA-N	372.406	2.058	10	10	FECE	
CCSc1nnc(NC(=O)CCN2C(=O)[C@@H](C)SC2=S)s1	11636043	VCNNLSYUOGURLY-ZCFIWIBFSA-N	362.527	2.228	10	10	FECE	
N=C1/C(=C\c2ccc([N+](=O)[O-])o2)C(=O)N=C2SC(N3CCCCC3)=NN12	20356489	CJAOVFGZRBVWNM-HREACRNESA-N	374.382	2.250	10	10	FECE	
COc1cccc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)c1	96935889	BLZGRFZDUKPSIA-NTCAYCPXSA-N	364.492	2.229	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCN(c3cccnn3)CC2)cc1	171190170	GDDONXGRVVGUAD-UHFFFAOYSA-N	368.485	2.355	10	10	FECE	
CCN(CC)c1ccc(CNS(=O)(=O)CCN2CCCC2)cc1F	192624463	NICYXAOTJASGAK-UHFFFAOYSA-N	357.495	2.187	10	10	FECE	
O=C(C[C@@H]1COC(=O)C1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	246827536	AFXVSJVKFRQDFU-STQMWFEESA-N	368.380	2.326	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCC3(C2)Oc2ccccc2O3)cc1	288567131	AXWZFGHLTBAWOX-UHFFFAOYSA-N	367.449	2.242	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC(F)(F)[C@H](CO)C2)c([N+](=O)[O-])c1	292382629	QGUPFGVLZHRQKI-PYEVWLCESA-N	356.325	2.235	10	10	FECE	
Nc1ccc(CS(=O)(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc1	310854442	BCXYOWINMOXZRO-GOSISDBHSA-N	359.495	2.210	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CC[C@](CO)(c4ccccc4)C3)cc2N1	365703576	KETRIEYDDUQTFN-IBGZPJMESA-N	369.377	2.066	10	10	FECE	
CN(c1ccc(CNC(=O)N2C[C@H](O)C[C@H]2CO)cc1)C1CCCCC1	368410911	FKVWYAMWBHIDNH-RBUKOAKNSA-N	361.486	2.093	10	10	FECE	
c1cc(N2CCOCC2)ccc1CN1CCC(CCN2CCOCC2)CC1	371416655	NMSSGRFNNGNVQJ-UHFFFAOYSA-N	373.541	2.458	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1cccc(CN2CCOCC2)c1	588403968	PTJIZFIJRRXRLM-ALCCZGGFSA-N	368.433	2.260	10	10	FECE	
COc1ccc([C@H]2[C@H](C(=O)NCc3ccccc3O)CC(=O)N2C)cc1	734864011	ZUCUVTUIUMNWRR-APWZRJJASA-N	354.406	2.237	10	10	FECE	
COC(=O)CN(Cc1c(O)ccc(C(=O)c2ccccc2)c1O)C1CC1	751958001	AAHGFDQPACMRGM-UHFFFAOYSA-N	355.390	2.466	10	10	FECE	
O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1cnc2n1CCC2	772512695	VBGXMWNFZQRVMG-UHFFFAOYSA-N	360.483	2.298	10	10	FECE	
CCN(C)c1ccc(CN2CCN(C(=O)c3ccc(O)nc3)CC2)cc1	773782423	CBUHTHBGDVPHAU-UHFFFAOYSA-N	354.454	2.201	10	10	FECE	
COc1cc(F)c(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(F)c1	775288004	HLTZNAIHEZYFFQ-UHFFFAOYSA-N	360.294	2.388	10	10	FECE	
COc1cc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)ccc1F	788052569	GCMCFOKDXBUTMI-UHFFFAOYSA-N	366.414	2.472	10	10	FECE	
C[C@H]1[C@@H](NCc2cc3c(cc2O)OCO3)CC(=O)N1Cc1ccccc1	798505705	USIOIUZPQOTSFX-BBRMVZONSA-N	354.406	2.400	10	10	FECE	
C[C@H](NC(=O)N=c1cc[nH]cc1N(C)C)c1ccc(N2CCOCC2)cc1	801924459	VMIXWJDFRPIPFN-HNNXBMFYSA-N	369.469	2.289	10	10	FECE	
COCn1nc(C)c(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c1C	818055667	ZSUPGKXCKMAEQG-UHFFFAOYSA-N	363.798	2.403	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3ncccc3N(C)C)C2)cc1	852345145	CFWIIKMSTURXMC-OAHLLOKOSA-N	369.469	2.234	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3C[C@H](C)[C@@H](O)[C@H](C)C3)C2)cc1	854186927	BMJQZGCRVWVOIU-CYJAXWMASA-N	361.486	2.180	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cnn4c3C[C@@H](C)CC4)C2)cc1	855227172	WGROVJIHEBPQPL-LSDHHAIUSA-N	354.454	2.483	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N1C[C@H]2[C@H]3CC[C@@H](CN3)[C@H]2C1	861557571	QWDQXCVLOHPVBB-MTFMMBMASA-N	354.498	2.426	10	10	FECE	
COC(=O)c1ccc(F)c2c1CN(Cc1cc3c(cc1O)OC[C@H]3O)CC2	863293985	KQENJDXNHLYAGW-GOSISDBHSA-N	373.380	2.302	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCc1ccnc(F)c1	868953115	FMJYKVSCAVXPEB-UHFFFAOYSA-N	372.444	2.429	10	10	FECE	
COc1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1N1CCNC1=O	871202388	GFRSZKJTWPVHAK-UHFFFAOYSA-N	353.378	2.086	10	10	FECE	
COC(=O)c1c(CNC[C@H]2CCOC[C@@H]2OC)c2cc(F)ccc2n1C	894887362	DRBKXEOURBZQOW-PXAZEXFGSA-N	364.417	2.245	10	10	FECE	
CCC/C=C/[C@H](O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	900902383	VBWMMXWKNNHMME-WRFKIARRSA-N	350.434	2.120	10	10	FECE	
CCCn1cc([C@H](C)NCCN2CCN(c3ccc(OC)cc3)CC2)nn1	902774842	MVXOKJYKYDYYLT-KRWDZBQOSA-N	372.517	2.170	10	10	FECE	
CCN(CC)C(=O)CN(CC(=O)N(CC)CC)c1ccc2c(c1)CCO2	915261303	MXGJDBWQARUVPM-UHFFFAOYSA-N	361.486	2.165	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3CCC[C@@H]4C[C@@]43C(=O)O)C2)cc1	929016405	WUGRYJSWBNYFBW-MDOVXXIYSA-N	373.453	2.170	10	10	FECE	
COCC(=O)Nc1cccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)c1	1136175540	KFJRIQWKRWJGKN-UHFFFAOYSA-N	369.381	2.364	10	10	FECE	
C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1nc(C(F)(F)F)n[nH]1	1157244711	XNEKYACSUIEKBX-ZCFIWIBFSA-N	355.280	2.477	10	10	FECE	
C[C@@H](NC(=O)C(=O)NCCC1SCCS1)c1ccc(N(C)C)cc1	1334123800	UBEWSRYXEVOBAX-GFCCVEGCSA-N	367.540	2.242	10	10	FECE	
CC1(C)C[C@@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CCS1	1334783679	JIAHQJHNYKAEAR-INIZCTEOSA-N	373.522	2.469	10	10	FECE	
C/C(=C\c1cccnc1)C(=O)N(C)c1ccc(S(=O)(=O)N(C)C)cc1	1436069019	WWKFXIHGURBXCP-WYMLVPIESA-N	359.451	2.398	10	10	FECE	
Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NCc1c(O)cccc1F)C2=O	1471975157	RCIVMEZVTNHBND-LLVKDONJSA-N	356.353	2.141	10	10	FECE	
COc1c(F)cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(N)c1F	1556158022	PPBPZESVIYSFLX-QMMMGPOBSA-N	352.337	2.328	10	10	FECE	
COc1ccc(CNC(=O)c2cc(O)ncc2Br)c(O)c1	1633926996	NOLCOSMHYABSJK-UHFFFAOYSA-N	353.172	2.194	10	10	FECE	
COC(=O)C1(C)CN(C(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)C1	1639688811	XLLMNWQNDPEXMF-UHFFFAOYSA-N	368.433	2.471	10	10	FECE	
COc1cc(/C=C2/SC(=S)N(C[C@@H](C)O)C2=O)cc(OC)c1OC	1858587261	ZLJLNSGQGBBRMI-MRACZJACSA-N	369.464	2.294	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@H]4CCN[C@H]4C3)ccc(N)c2C1	1876610543	MDJQNLCESRVPJW-DYVFJYSZSA-N	358.486	2.360	10	10	FECE	
CC[C@H]1N(C(=O)OC(C)(C)C)C[C@]1(O)[C@H](N)c1ccc2c(c1)CCN2C	1888030431	CAMNAZJBGVHNNW-MBOZVWFJSA-N	361.486	2.439	10	10	FECE	
CN(CCN(C)C(=O)c1cc(O)c(O)c(O)c1)C(=O)OCc1ccccc1	2015121731	GBIIJNYBNNFRKW-UHFFFAOYSA-N	374.393	2.144	10	10	FECE	
COC[C@]1([C@H](N)c2ccccc2O)CN(C(=O)OC(C)(C)C)CCO1	2029560256	SNGQIHCDANVXSQ-QAPCUYQASA-N	352.431	2.045	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NCc2cc(F)ccc2O)C1	2052718031	VGWWBYOSKBFDIN-SWLSCSKDSA-N	354.422	2.239	10	10	FECE	
CN(C)c1ccc([C@@H](N)Cn2cc(CNC(=O)OC(C)(C)C)nn2)cc1	2106849008	PRBZRHMXJKCJJI-INIZCTEOSA-N	360.462	2.069	10	10	FECE	
CO[C@H](C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-])C1CN(C(=O)OC(C)(C)C)C1	2218740211	IJXDSKCGHQRYCG-AGIUHOORSA-N	353.423	2.216	10	10	FECE	
O=C(O)[C@@H]1CC[C@@H](O)CN1Cc1cc(Cl)cc(Br)c1O	2279185762	HSSAPCOVTAVJNH-KOLCDFICSA-N	364.623	2.218	10	10	FECE	
COC(=O)c1ccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1	2293308749	MXVXLRFHBYCTPG-UHFFFAOYSA-N	368.320	2.279	10	10	FECE	
CCOC(=O)COc1c(C=C2SC(=S)N(C)C2=O)cccc1OC	2297356662	CQGHQZLSVBWBRR-UHFFFAOYSA-N	367.448	2.468	10	10	FECE	
C[C@H](NC(=O)C=Cc1ccc(N2CCOCC2)cc1)C(=O)N1CCCCC1	2297575748	YPRGYXIJVCYFAD-KRWDZBQOSA-N	371.481	2.054	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])CO1	2312333956	HITGUMZWTYGBAO-YVECIDJPSA-N	353.423	2.358	10	10	FECE	
CN(CC(=O)NCc1ccc(N(C)C)cc1)CC(=O)Nc1cccc(F)c1	7356977	CMRAVAFCKRFUNU-UHFFFAOYSA-N	372.444	2.078	10	10	FECE	
C[C@H](N[C@H](C)c1nnnn1C1CC1)c1ccc(N2CCC(O)CC2)cc1	189139127	OWJSWEZZBFPPSR-UONOGXRCSA-N	356.474	2.381	10	10	FECE	
COc1ccc(N2CCN(CCCN3CCN(C(C)C)CC3)CC2)cc1	192716590	AMBKLIZBJIXKEU-UHFFFAOYSA-N	360.546	2.233	10	10	FECE	
Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c(O)c1O	192217256	WNLOUYFUOXTIBZ-OAHLLOKOSA-N	358.369	2.076	10	10	FECE	
C[C@H](NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@@H](C)CO	92283921	UJGQWMXBZQYXKZ-IRXDYDNUSA-N	374.529	2.035	10	10	FECE	
COc1ccc(N2CCN(c3cc(C(=O)N4CCCC4)ncn3)CC2)cc1	243321877	LNTMWABQBNYJJJ-UHFFFAOYSA-N	367.453	2.048	10	10	FECE	
COc1cc(N(C)CC(=O)NC(=O)Nc2ccccc2)cc(OC)c1OC	265985091	HDYULWBZTDBZFA-UHFFFAOYSA-N	373.409	2.497	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)c1cncc(-n2ccnn2)c1	804737628	MZMBQUOHRLURRT-UHFFFAOYSA-N	374.198	2.060	10	10	FECE	
CN(C)C(=O)N(C)[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1	827544475	BSSYFEYBFSIPGT-LBPRGKRZSA-N	356.810	2.142	10	10	FECE	
CN(C)C(=O)N(C)[C@H]1CCN(Cc2cc(Br)ccc2O)C1	827545038	RLAXYEJDOHQEJK-ZDUSSCGKSA-N	356.264	2.342	10	10	FECE	
CN(C(=O)c1cc(O)c(O)c(O)c1)[C@H](CNC(=O)OC(C)(C)C)C1CC1	2132410367	MQTVXTPOPHBLBN-GFCCVEGCSA-N	366.414	2.179	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCN(CC(C)C)C(=O)C2)c([N+](=O)[O-])c1	588524498	XTMDDERAKRDSDM-ALCCZGGFSA-N	361.398	2.086	10	10	FECE	
COC(=O)C1CC2(C1)CN(Cc1cc(Cl)ccc1O)C[C@@H]2C(=O)O	903693810	JJPHCGJBWLAIAT-OFKYTCTHSA-N	353.802	2.131	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@H](c2ccccc2)[C@](F)(CO)C1	834165886	FQTJVPNUHYRCRR-YRKRUQKISA-N	357.381	2.438	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)NCc2ccc(O)cc2O)C1	910957263	QNQMGQZLFAGMIM-SWLSCSKDSA-N	368.405	2.309	10	10	FECE	
COc1ccccc1[C@H](O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	912709174	BWXGMQJKVMSTKQ-FQEVSTJZSA-N	370.449	2.006	10	10	FECE	
O=C(O)/C=C\c1ccc(N2CC[C@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1	844215266	GLJQSIQYJQOCSO-BSDYTAMGSA-N	360.288	2.442	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)C2)cc1	849416348	PLEWLDYHXJSIFP-OWCLPIDISA-N	367.515	2.086	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CC[C@@H](C(=O)N(C)C)C2)c1O	840179835	UYOJMZAQXQBCEC-CQSZACIVSA-N	356.422	2.242	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)[C@@]34C[C@H]5C[C@H](C(=O)N3)[C@H]4C5)cc2)CC1	845459113	MOCCSSHVIIOWCT-UYZIEWPDSA-N	367.493	2.454	10	10	FECE	
COc1ccc(N2CCCN(C(=O)C(=O)N[C@@H]3CC[C@@H]4C[C@H]4C3)CC2)cc1	842518653	SNXGVHSPNMBSRI-IXDOHACOSA-N	371.481	2.039	10	10	FECE	
CO[C@@H](CNC(=O)NCc1cccc(Br)c1O)[C@H]1CCOC1	852437942	KLVRKFABBLZCGN-AAEUAGOBSA-N	373.247	2.005	10	10	FECE	
C[C@H](COC(=O)c1csc(Cc2ccc(N)cc2)n1)CS(C)(=O)=O	751931326	NHQPPYPYAUOYMD-LLVKDONJSA-N	368.480	2.154	10	10	FECE	
C[C@H](NC(=O)[C@H]1OCC[C@@H]1CNC(=O)OC(C)(C)C)c1ccccc1O	1877573379	KGEHFWBFVGOTMO-ZENOOKHLSA-N	364.442	2.499	10	10	FECE	
CO[C@H]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	894592577	LFAJBQRREXCZLH-OALUTQOASA-N	373.497	2.210	10	10	FECE	
COC(=O)[C@H](C[C@@H]1CCCO1)NCc1ccc(Br)cc1O	895867388	WTOAVIHDLYXXRX-STQMWFEESA-N	358.232	2.355	10	10	FECE	
COCCN1CCC[C@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1	896136951	ADZUJBHLMDMTPL-LBPRGKRZSA-N	350.440	2.153	10	10	FECE	
O=S(=O)(CC[C@@H]1CCCO1)NCc1cc(Br)ccc1O	796190262	FAGMAZHTQRKRRU-LBPRGKRZSA-N	364.261	2.143	10	10	FECE	
CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)c1ccccc1O	1151886136	WRSFZMQOAZJUDA-MFKMUULPSA-N	361.402	2.410	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(-c2cnccn2)n1C[C@H]1CCCO1	1314753359	NNUZPAZTXURQLM-OAHLLOKOSA-N	366.425	2.256	10	10	FECE	
C[C@H]1[C@@H](C)SCCN1C(=O)NCc1ccc(N2CCN(C)CC2)cc1	1246303898	SEPDBCXSLVHTME-JKSUJKDBSA-N	362.543	2.474	10	10	FECE	
CN(C)c1cc(F)c(CNc2ccc3c(c2)CN(CC(N)=O)CC3)cc1F	1331510864	LXVJGFQBHGSDMI-UHFFFAOYSA-N	374.435	2.486	10	10	FECE	
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	1262110617	IZCINODOFSEGDH-VUKOWNLVSA-N	355.482	2.297	10	10	FECE	
C[C@@H]1C[C@H]2CC[C@H](C(=O)NCc3ccc(N4CCOCC4)cc3)CN2C1	1347384947	QSINNPQTVACZEA-IMFGXOCKSA-N	357.498	2.260	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)cc1	1453892094	BIYHOMKTSHGCOK-OAHLLOKOSA-N	372.406	2.249	10	10	FECE	
Cc1cc(C=O)c(O)c(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1	1557639802	LCTWZQOOFSNAFO-UHFFFAOYSA-N	368.433	2.404	10	10	FECE	
C[C@@](O)(CNC(=O)c1cccc(O)c1O)c1ccccc1Br	1635148248	PPFHPKLQYODZEE-MRXNPFEDSA-N	366.211	2.498	10	10	FECE	
C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1ccc(N3CCCC3)cc1)CS2	28333229	HVRFVDXNJWCUES-APWZRJJASA-N	359.495	2.357	10	10	FECE	
CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(O)cs2)cc1	1587108375	VWOYFVLGPWGQJZ-SNVBAGLBSA-N	362.407	2.387	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CN(C(=O)OC(C)(C)C)C1	2124536045	ZEHREOHRBOWZNJ-MGPQQGTHSA-N	367.450	2.417	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)N[C@H]3CC(=O)N(C)C3)c2C)c1	1670109025	QVYPTXRFTYWHIK-KRWDZBQOSA-N	354.454	2.432	10	10	FECE	
O=C(CCC1CCCCC1)NCCNC(=O)c1cc(O)c(O)c(O)c1	169839045	LGAJSMZHWUOHRI-UHFFFAOYSA-N	350.415	2.010	10	10	FECE	
CCCN(OC)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136260203	ANOUKWLUDLYKNV-ZDUSSCGKSA-N	368.430	2.334	10	10	FECE	
Nc1ccc(CC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)cc1	1968631604	JXGLQRXBRVJCRN-UHFFFAOYSA-N	353.422	2.292	10	10	FECE	
CC(C)N(Cc1ccc(N)cc1)C[C@H](O)CN1C(=O)c2ccccc2C1=O	2025439416	CFCZSQITIANRQL-KRWDZBQOSA-N	367.449	2.136	10	10	FECE	
CNCc1ccc(N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)cc1Br	2170258330	YFNWZKVYMJVZQN-QWRGUYRKSA-N	361.305	2.180	10	10	FECE	
C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)CCc1ccc(N)cc1	2106699721	PMJVTHZEXLWDMF-FZMZJTMJSA-N	357.376	2.259	10	10	FECE	
CC(C)(C)OC(=O)NC1(C2CN(C(=O)COc3ccc(N)cc3)C2)CC1	2106725240	KSXBELNGVFOJMA-UHFFFAOYSA-N	361.442	2.163	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCCN(CC(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])C1	2225794186	CZKPTMGLQDGBLT-HZSPNIEDSA-N	366.466	2.323	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@@]2(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1	2278889214	ZZUORGLNBBALKE-IIYDPXPESA-N	365.434	2.171	10	10	FECE	
CN(C)c1ccc([N+](=O)[O-])cc1C=C1C(=O)NN(c2ccc(F)cc2)C1=O	2297302813	OCGUCNMHFOAHLF-UHFFFAOYSA-N	370.340	2.261	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)NC[C@H](O)Cc1ccccc1	2298373575	KRXLRMDOVLEXJA-OAQYLSRUSA-N	366.461	2.256	10	10	FECE	
CCOC(=O)[C@H](C)[C@@H](C)NC(=O)C=Cc1ccc(N2CCOCC2)cc1	2308371684	MCIFACQFYQVQDR-HZPDHXFCSA-N	360.454	2.240	10	10	FECE	
C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2312334087	LJSULGGJPISWFT-FVCCEPFGSA-N	353.423	2.358	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@]2(NCc3ccc(O)cc3O)CO[C@H]1C2	2312832112	IZQOKFQZLCSCRS-DHSIGJKJSA-N	350.415	2.012	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](CNCc2c(O)cccc2F)N2CC[C@H]1C2	2342849559	BBZWUMIDUZWJKV-KBPBESRZSA-N	365.449	2.315	10	10	FECE	
COc1cccc(C(=O)NC2=N[C@H](c3ccc(N(C)C)cc3)CC(=O)N2)c1	6785132	ZBEUKKCPBCSEKX-KRWDZBQOSA-N	366.421	2.108	10	10	FECE	
C[C@H]1CCCCN1CCNC(=O)NCc1ccc(N2CCOCC2)cc1	54787082	DWTJLPSBAKWSTB-KRWDZBQOSA-N	360.502	2.197	10	10	FECE	
COc1ccc(N2CCN(C=O)CC2)cc1NC(=O)NCc1ccccc1	62160255	HTSSAXMEOPGXBC-UHFFFAOYSA-N	368.437	2.295	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])cnc3C)CC2)cc1F	177283311	JQZURVQLZNVSDR-UHFFFAOYSA-N	374.372	2.408	10	10	FECE	
COc1ccc(N(Cc2ccco2)C[C@@H](O)CN2CCCC2=O)cc1F	125442381	RFHHNXGOAXFNND-HNNXBMFYSA-N	362.401	2.417	10	10	FECE	
Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1C(=O)c1ccc(C)c(O)c1O	185800764	MUIFHZFBTKXKHK-OAHLLOKOSA-N	358.369	2.167	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCCO[C@H]3C)cc2F)CC1	191430166	KZTQOGALJWUGNJ-DOTOQJQBSA-N	363.477	2.399	10	10	FECE	
O=C1CN(Cc2ccccc2O)C(=O)N1C[C@H](n1cccn1)C(F)(F)F	530199462	MCYMNFYUWFFGSJ-ZDUSSCGKSA-N	368.315	2.157	10	10	FECE	
Cc1cc(C(=O)N[C@@H]2CCC(=O)NC23CCC3)c(C)n1-c1ccccn1	282685925	AIBRVWCSMIUBRB-MRXNPFEDSA-N	352.438	2.420	10	10	FECE	
Cc1ccc(CN(C)C(=O)C2(C(N)=S)CC2)c(O)c1Br	2381129735	OJPQMUCWKJBDJV-UHFFFAOYSA-N	357.273	2.488	10	10	FECE	
CC(C)(C)OC(=O)N[C@]12CC[C@@H]1CN(c1cc3c(cc1N)OCC(=O)N3)C2	2163088290	XCOBSYIPOQIBSU-WYRIXSBYSA-N	374.441	2.093	10	10	FECE	
C[C@@H](NC(=O)N1CC[C@@H](CN2CCOC2=O)C1)c1ccc(N(C)C)cc1	836405312	CPTPNDCJPDYJOZ-HUUCEWRRSA-N	360.458	2.297	10	10	FECE	
CC[C@@H](NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@H](C)O	838533007	JOGWMYFGNGQBBS-OXJNMPFZSA-N	374.529	2.177	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)[C@H]3CC[C@@H]4CCCCN43)cc2)CC1	918831711	WJLXRXQRWYGQRZ-VQTJNVASSA-N	356.514	2.072	10	10	FECE	
CN(C)c1ccc(CN(C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)C2CC2)cc1	847456693	ISNFDJLHYVJZIJ-SFHVURJKSA-N	372.469	2.410	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3CCC(Cn4cnnc4)CC3)ccc21	844935054	RHBKQDNSMILCOV-UHFFFAOYSA-N	368.485	2.282	10	10	FECE	
Cc1cc(O)c(CNCCNS(=O)(=O)c2cccs2)c(Cl)c1	840907185	MZBHRUDCBWFYIE-UHFFFAOYSA-N	360.888	2.484	10	10	FECE	
Cc1cc(C(=O)COC(=O)CC(N)=O)c(C)n1-c1ccc2c(c1)CCC2	840495856	OHSGDKDLMKIPFD-UHFFFAOYSA-N	354.406	2.184	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CNC[C@@H]3CCC[C@@H]4C[C@H]34)CC2)cc1	849330230	MDHFUEOGLJXEKC-MXKPZRPRSA-N	373.541	2.204	10	10	FECE	
O=C(NCCOC1CCOCC1)NCc1cc(Br)ccc1O	927503366	HOSFEOWHOJKZOK-UHFFFAOYSA-N	373.247	2.150	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)c3cnn(C(C)(C)C)c3)C2)cc1	855231173	HUDHOXAQDBAIHW-HNNXBMFYSA-N	370.453	2.225	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCN(CC(F)(F)F)C3)C2)cc1	855223356	FYMWVFYEHJKRDY-KGLIPLIRSA-N	371.403	2.274	10	10	FECE	
Cc1cc(CC(=O)N2C[C@@](C)(CO)[C@@](C)(CO)C2)c(C)n1-c1ccccc1	862994602	DZQIUXUOACDPKO-SZPZYZBQSA-N	370.493	2.476	10	10	FECE	
CN(C)C(=O)N1CCN(Cc2ccc(N3CCOCC3)cc2)C(C)(C)C1	761226001	LYAKRAVBSDTTSQ-UHFFFAOYSA-N	360.502	2.101	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H]3CCC[C@@H]3O)cc2F)C[C@H](C)O1	875118014	HUPDMTRIOXOPGI-YFPWBOGZSA-N	365.449	2.152	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc(O)ccc3OC)CC2)c(OC)c1	870168029	VNEBPMPKVZEWOC-UHFFFAOYSA-N	372.421	2.380	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc4c(c3)CNCC4)C2)cc1	1118505142	ADPZGUZUPKZBJH-GOSISDBHSA-N	351.450	2.350	10	10	FECE	
O=C(NCC[S@@](=O)CC(F)(F)F)c1cc2cc(O)c(O)cc2s1	898583488	WGWOSRFKRNEBHT-HSZRJFAPSA-N	367.370	2.353	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CC[C@](CO)(C(F)(F)F)C2)c1O	895837957	YTOFQKHEDGIXTO-ZDUSSCGKSA-N	350.293	2.056	10	10	FECE	
CC1(CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC(F)(F)C1	1331663614	DRTNMUHSOYAVSY-UHFFFAOYSA-N	363.408	2.231	10	10	FECE	
Cc1nn(C)cc1CCC(=O)NCc1cc(Br)ccc1O	1341848507	DYSJDBJEOKMHKV-UHFFFAOYSA-N	352.232	2.446	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1	1452834673	JHZDAFIIIOISKO-UHFFFAOYSA-N	367.793	2.188	10	10	FECE	
Cc1cccc([C@@H](CNC(=O)Cc2ccc(O)c(O)c2)N2CCOCC2)c1	1464143062	UVGUZRLHYNAQFY-GOSISDBHSA-N	370.449	2.138	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CC3(O)CCCCC3)CC2)cc1F	1473270197	PUNBRAXWXKQKIV-KRWDZBQOSA-N	366.477	2.403	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1C[C@H]2COC[C@@H](C1)C2=O	1628951242	UYAUBDYZHUZWTN-AYHJJNSGSA-N	356.466	2.487	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1	1556158006	PKDMCYXYXAGIFE-TZMCWYRMSA-N	372.396	2.337	10	10	FECE	
CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H](c1ccccc1)c1nc[nH]n1	1637574691	KJHRDEIWEVCMJK-IQBZNYMQSA-N	350.378	2.477	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCCCC2=O)cc1	1631256577	RQAJRCMYKXMCSZ-CABCVRRESA-N	358.398	2.449	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2124503148	IANOOPABAAPZSF-QWHCGFSZSA-N	363.422	2.147	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CC[C@]2(CCOC2)O1	1742754849	UKNVXIMWEMGAMJ-QFBILLFUSA-N	358.442	2.267	10	10	FECE	
COC(=O)c1ccc2c(c1)CCCCN2C(=O)c1ccoc1CC(N)=O	1597858264	NPHNPTBBFOTOAT-UHFFFAOYSA-N	356.378	2.077	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](CC(=O)NCc2ccccc2O)C1	1964891793	XSIHIUNRHQHORT-CABCVRRESA-N	364.442	2.471	10	10	FECE	
CC(C)c1nnc(N(C)Cc2ccccc2O)n1Cc1nnc2n1CCC2	1691669312	VNKAEQNPVCWRCX-UHFFFAOYSA-N	367.457	2.330	10	10	FECE	
CC[C@H]1CN(C(=O)NCCCSc2nccs2)CCN1CCOC	154626274	KNGFWZRPXLMSPF-AWEZNQCLSA-N	372.560	2.378	10	10	FECE	
COC(=O)c1c(NC(=O)[C@@H](N)CC(=O)O)sc(C)c1-c1ccccc1	1865999696	TZMAZFFPKLXRKE-NSHDSACASA-N	362.407	2.251	10	10	FECE	
Nc1ccc(-n2nnc(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1	1857879152	VWUWUSWHJUHKCQ-UHFFFAOYSA-N	359.733	2.058	10	10	FECE	
NCc1cc(F)c(N2CCN(CC(F)F)CC2)cc1Br	1923115043	BECISRIVLJLEHH-UHFFFAOYSA-N	352.198	2.434	10	10	FECE	
O=C(N[C@H]1COCC[C@H]1NCc1ccc(O)c(O)c1)OCc1ccccc1	1943951987	IAEPNFIAFQOQLQ-SJORKVTESA-N	372.421	2.271	10	10	FECE	
CCOC(=O)[C@@H](NCCN=[N+]=[N-])c1snc(OC)c1Br	702098626	KMXIVDIEHILIBD-ZETCQYMHSA-N	364.225	2.418	10	10	FECE	
CN(CCN1CCNCC1)Cc1cc(Cl)cc(Br)c1O	708110351	BLOXHPKOOOUTLR-UHFFFAOYSA-N	362.699	2.145	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2cc(N)ccc2O)CCO1	2044613968	HSKSRDNOFYGUMS-LRDDRELGSA-N	351.447	2.088	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H]1OCC[C@H]1NC(=O)OC(C)(C)C	2059944775	AVRUMTOTOHPBPW-UKRRQHHQSA-N	350.415	2.033	10	10	FECE	
CO[C@H](C)[C@@H](CC(=O)N1CC[C@H](CN=[N+]=[N-])C1)NC(=O)OC(C)(C)C	2060615777	SEHFPUJRCNPPMH-JHJVBQTASA-N	355.439	2.464	10	10	FECE	
COC[C@@]1(C(=O)N2CC(N=[N+]=[N-])C2)CCCCN1C(=O)OC(C)(C)C	2060617069	JEXPNZSVALEKRQ-MRXNPFEDSA-N	353.423	2.314	10	10	FECE	
CCOC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2060634914	FNGFVGWQGCNNPH-STQMWFEESA-N	355.439	2.465	10	10	FECE	
CO[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CC[C@@H](N=[N+]=[N-])C2)C1	2067631772	SHFGXRHUWCVHLV-JHJVBQTASA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	2085021287	DJTHQNUXPHXKAL-STQMWFEESA-N	350.415	2.060	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(CNC(=O)Nc2ccc(N)cc2)CC1	2106284709	UQOAMRCNHSQCBL-UHFFFAOYSA-N	364.446	2.152	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)CCc2ccc(N)cc2)C1	2106718894	BJMMWMOONBIMTP-RISCZKNCSA-N	357.376	2.117	10	10	FECE	
CN1CCc2cc([C@H](O)c3cc(=NC(=O)OC(C)(C)C)[nH]n3C)ccc21	2106798084	HJYAPVOVDYYKAD-KRWDZBQOSA-N	358.442	2.263	10	10	FECE	
COc1ccc(CNC[C@H]2CN(C)CCN2C(=O)OC(C)(C)C)c(O)c1	2098262455	DNBMVLUIQQYAOF-HNNXBMFYSA-N	365.474	2.042	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])C1	2218736450	YWQXAFDMBMYCSL-XQHKEYJVSA-N	353.423	2.406	10	10	FECE	
COc1ccc(CN2C(=O)NC(=O)C(=Cc3ccc(O)cc3)C2=O)cc1	2296740316	VUWPFPVAUSJVAV-UHFFFAOYSA-N	352.346	2.063	10	10	FECE	
O=C1NC(=S)N(c2ccccc2F)C(=O)C1=CNCc1ccccc1	2297560173	VIOSOYUANNSSKW-UHFFFAOYSA-N	355.394	2.247	10	10	FECE	
Cc1ccc(-n2c(C)cc(C=CC(=O)N3CCOC[C@@H]3C(N)=O)c2C)cc1	2306180744	XMLPTPWAMDWNOJ-LJQANCHMSA-N	367.449	2.128	10	10	FECE	
CCOc1cccc(CNC[C@H](CNC(=O)OC(C)(C)C)OC)c1O	2317703732	ROMRPLYBPZHUSN-CQSZACIVSA-N	354.447	2.420	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CC[C@@H](CNc3ccccn3)C2)cc1	171645251	QCUZFCOARJLDGY-SFHVURJKSA-N	367.497	2.198	10	10	FECE	
CN1C(=O)CC[C@H](C(=O)NCc2ccc(O)c(O)c2)[C@H]1c1ccccc1	182531705	NVBDKMGAMFWJBI-HNAYVOBHSA-N	354.406	2.324	10	10	FECE	
Cc1ccc(-n2c(C)cc(/C=C\C(=O)N[C@@H]3CCC(=O)NC3=O)c2C)cc1	255107801	OYYZMUKSKAMIPU-OEPRFQHASA-N	365.433	2.337	10	10	FECE	
Cc1c(NCc2cc3c(cc2O)OCO3)cccc1N1C(=O)N[C@H](C)C1=O	288596356	PDMVVUOFHSKAMF-LLVKDONJSA-N	369.377	2.486	10	10	FECE	
Cc1cc(C(=O)N2CCOC[C@H]2c2nc[nH]n2)c(C)n1-c1ccccc1	284234940	HWIIZIMTAWJQKF-KRWDZBQOSA-N	351.410	2.426	10	10	FECE	
Cc1ccc(CNC(=O)C[C@H](CN)C(F)F)c(O)c1Br	2380752460	WLCMVZMJZMTJCR-SECBINFHSA-N	351.191	2.309	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H](CO)c1cccnc1	806846383	MMWJMCVDZUKGDW-SFHVURJKSA-N	352.438	2.033	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]12CC[C@@H]1CN(c1cc3c(cc1N)OCC(=O)N3)C2	2163088288	XCOBSYIPOQIBSU-NSPYISDASA-N	374.441	2.093	10	10	FECE	
COC1CCN(c2ccc(CN3CCN(c4cccnn4)CC3)cc2)CC1	297180322	PYMVKCHYKZSXLA-UHFFFAOYSA-N	367.497	2.414	10	10	FECE	
CC1(CO)CN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	838498994	FMYBULFWQRSMCW-ZDUSSCGKSA-N	369.412	2.281	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@]12[C@H]3C(=O)[C@H]4[C@H]5C[C@@H]([C@@H]41)[C@@H]2[C@H]53	840555749	SGMGLBKRECCPMH-IWNDOLCWSA-N	364.489	2.435	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CC[C@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])c1	840378393	RTXAKDIJQYWMIP-BPJJOFIESA-N	357.370	2.201	10	10	FECE	
CN(C)c1ccc(CN(C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)C2CC2)cc1	847456691	ISNFDJLHYVJZIJ-GOSISDBHSA-N	372.469	2.410	10	10	FECE	
CSC[C@@H](C)C(=O)N1CCC(C(=O)NCc2c(O)cccc2F)CC1	928707471	FETLZDJWZNYAFG-GFCCVEGCSA-N	368.474	2.385	10	10	FECE	
Cc1ccc(O)c([C@@H](C)NCC(=O)NCC(=O)N(C)Cc2ccccc2)c1	926967910	YIALGMVPPDXEOB-MRXNPFEDSA-N	369.465	2.126	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H]3Cc4ccccc4C(=O)O3)C2)cc1	855229051	JTXXXMNOKXFEJT-DNVCBOLYSA-N	366.417	2.172	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](c3ccco3)N(C)C)C2)cc1	853233319	MEVXWQXFOXHLRD-QAPCUYQASA-N	372.469	2.469	10	10	FECE	
Cc1cccnc1CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	852369311	WCGWRHISLVHWTM-UHFFFAOYSA-N	368.481	2.393	10	10	FECE	
C[C@@H]1CCn2cc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)nc2C1	864932251	VTAUDQOWWRNYAX-CQSZACIVSA-N	372.444	2.371	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cn4ccnc4s3)CC2)c(OC)c1	870167108	AVCBCFHGSQJDAO-UHFFFAOYSA-N	372.450	2.375	10	10	FECE	
Cc1cn2cc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)ccc2n1	774251191	NXSMUAXYQSAQBJ-UHFFFAOYSA-N	365.437	2.272	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H](CN2CCOCC2)C1	896684137	PEYHOIWPKSUCLC-GFCCVEGCSA-N	362.451	2.107	10	10	FECE	
COC(=O)C[C@@](C)(NC(=O)c1ccc(N=NC(N)=O)cc1)c1cccnc1	1160197406	IMXZGESSUCWBCL-GOSISDBHSA-N	369.381	2.452	10	10	FECE	
CO[C@@H]1COC[C@H]1NC(=O)NCCc1cc(C)n(-c2ccccc2)c1C	1230388752	BUGMIDTXTJZDTA-RTBURBONSA-N	357.454	2.350	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2cnn3c2NC[C@H](C)C3)cc1	1352324723	BPVXHLUQYUJDOW-AWEZNQCLSA-N	357.458	2.162	10	10	FECE	
Cc1cc(CN2CCC[C@H]3OCCNC(=O)[C@H]32)ccc1N1CCCCC1	1460677028	NJKYGCXHHIFJDO-UXHICEINSA-N	357.498	2.465	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3Cc4ccccc4O3)CC2)c(OC)c1	1534586962	JERLTFFIZKMGQW-HXUWFJFHSA-N	368.433	2.356	10	10	FECE	
O=CC1=S=C(c2ccc(C(=O)Nc3ccnn3[C@@H]3CCOC3)cc2)C=C1	1472138915	VJXJZBJMLOJSRP-OAHLLOKOSA-N	367.430	2.292	10	10	FECE	
CC(=O)Nc1cnccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1472281548	ZHECQEGWBCIRQP-IBGZPJMESA-N	369.469	2.139	10	10	FECE	
COCN1C(=O)CCc2cc(NC(=O)c3c(F)ccc(O)c3O)ccc21	1638592808	PZVPRZIBVQPQJW-UHFFFAOYSA-N	360.341	2.372	10	10	FECE	
CC1=C(C(=O)NCc2c(O)ccc3ccccc23)[C@H](C)n2nnnc2N1C	1647791277	MXKBJICOVQGYKN-LBPRGKRZSA-N	364.409	2.133	10	10	FECE	
O=C(NCc1cccc(O)c1O)c1nn(-c2ccc(F)cc2F)cc1O	1593739553	QBBGXGYTCKILDA-UHFFFAOYSA-N	361.304	2.197	10	10	FECE	
CN(CC(=O)Nc1cc(S(C)(=O)=O)ccc1F)Cc1ccccc1O	154528242	PYVZCVVYNYNOTL-UHFFFAOYSA-N	366.414	2.005	10	10	FECE	
CCCC1(NC(=O)c2cc(O)c(O)c(O)c2)CN(C(=O)OC(C)(C)C)C1	2134107096	KTZYNHSUKCHWLS-UHFFFAOYSA-N	366.414	2.323	10	10	FECE	
CCCN[C@H](c1ccccc1O)[C@]1(O)COC[C@H]1NC(=O)OC(C)(C)C	1922616480	CFBXCWQSDNDTFC-MDZRGWNJSA-N	366.458	2.088	10	10	FECE	
CC(C)NCc1ccc(N2CCS(=O)(=O)CC2)c(Br)c1	232714983	IROGHLKNHORYBC-UHFFFAOYSA-N	361.305	2.182	10	10	FECE	
NCc1ccc(N2CCC[C@]23CCS(=O)(=O)C3)c(Br)c1	2158462038	JMAWUZLBCOWPDE-CQSZACIVSA-N	359.289	2.065	10	10	FECE	
CS(=O)(=O)C[C@H]1CCCN1c1ccc(CN)c(Br)c1F	2151272730	MIQGABBKMRRFGV-SNVBAGLBSA-N	365.268	2.060	10	10	FECE	
N[C@@H]1C(=O)Nc2cc(N3CCS[C@H]4CC[C@H]43)c(Br)cc21	2152204693	CZZSGFWEKSEYFP-WXHSDQCUSA-N	354.273	2.485	10	10	FECE	
NCCC1(O)CCN(Cc2cc(Cl)cc(Br)c2O)CC1	717960485	COJAPDZOBHQWOW-UHFFFAOYSA-N	363.683	2.484	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](CF)(NC(=O)Cc2ccc(N)cc2)C1	2044230145	FKJFEFDYXPKDOU-SFHVURJKSA-N	351.422	2.277	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NCc2cccc(F)c2O)C1	2052715767	ICJWAGHIICHAAC-HIFRSBDPSA-N	354.422	2.239	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(F)c(F)c2O)[C@@H](O)C1	2052714840	BQKXKWATKRYEFD-STQMWFEESA-N	358.385	2.130	10	10	FECE	
CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(O)c(O)c1	2084785422	SUPFLYNGBFCUKB-BXUZGUMPSA-N	368.455	2.179	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc(N)cc1	2106777802	WXIRMAZBMPLOLM-GASCZTMLSA-N	361.442	2.258	10	10	FECE	
CN1CCc2cc([C@@H](N)c3cn(C)nc3I)ccc21	2106856200	WTZJFUMNGPUPOP-CYBMUJFWSA-N	368.222	2.065	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)[C@H](O)[C@H]1CCN1C(=O)OC(C)(C)C	2106854116	YYXPJQZVAOVNNT-KZNAEPCWSA-N	361.486	2.310	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])C1	2218746510	XJAFGKWNHPOQNA-HSMVNMDESA-N	353.423	2.096	10	10	FECE	
NCCCN1CCN(Cc2cc(Cl)cc(Br)c2O)CC1	2234463518	KBZBJQXICGXOGZ-UHFFFAOYSA-N	362.699	2.275	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(N)cc1)[C@@H](O)C(F)(F)F	2254203831	JOEXWWPHEWTQNJ-GHMZBOCLSA-N	363.336	2.024	10	10	FECE	
COCCN1C(=O)C(=Cc2cc(OC)c(O)c([N+](=O)[O-])c2)SC1=S	2297349695	CZIRJJMCXSCXDS-UHFFFAOYSA-N	370.408	2.157	10	10	FECE	
Cn1c(COC(=O)C=Cc2ccc(N3CCOCC3)cc2)nnc1C1CC1	2297507157	GJMIXAHBPUVGHL-UHFFFAOYSA-N	368.437	2.286	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2312334425	VYWWOSWCOCPJTJ-FVCCEPFGSA-N	353.423	2.216	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(C1)[C@@H](C(=O)NCCCN=[N+]=[N-])CO2	2319900576	AVTZCYVPEUNOAL-BGMSHATGSA-N	353.423	2.123	10	10	FECE	
CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Cc1ccc(N)cc1	310798651	WRKWEVHIPFIPMW-LJQANCHMSA-N	359.495	2.305	10	10	FECE	
CN(C)c1cccc(C(=O)NC2=N[C@@H](c3ccccc3F)CC(=O)N2)c1	20924652	DQEJJTYMXSDAMP-MRXNPFEDSA-N	354.385	2.239	10	10	FECE	
COc1ccc(OC)c([C@H]2CC(=O)NC(NC(=O)c3ccccc3)=N2)c1	20530751	FMBDRMIJDFEGRK-OAHLLOKOSA-N	353.378	2.051	10	10	FECE	
CCCN[C@H]1C(=O)Nc2cc(N(C)[C@@H](C)CO)c(Br)cc21	122556316	ASHXMTBXOHODDF-LKFCYVNXSA-N	356.264	2.259	10	10	FECE	
CCN(CCO)C(=O)CN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S	210486604	ZUVMCUZHQUXDDX-GXDHUFHOSA-N	364.492	2.037	10	10	FECE	
C[C@@H](NC(=O)c1ccco1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	78345666	AJSPXEHKNHXQKJ-GDBMZVCRSA-N	372.421	2.311	10	10	FECE	
O=C(CNC(=O)N(Cc1ccco1)Cc1ccccc1O)NCC1CC1	183794267	RJMGQCQAYJHFLB-UHFFFAOYSA-N	357.410	2.223	10	10	FECE	
O=C1C[C@H]([C@@H]2CCCCN2Cc2cc(Cl)cc([N+](=O)[O-])c2O)CN1	367541328	GGZSNRZLMUMQLS-GWCFXTLKSA-N	353.806	2.444	10	10	FECE	
C[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1ccc(N2CCOCC2)c(F)c1	378406289	UTPSJWRAWRZQON-DZASIIFFSA-N	361.461	2.322	10	10	FECE	
NC(=O)[C@@H]1CCC[C@@H](C(=O)NCc2cc(Br)ccc2O)C1	804735539	CVYOMJCBPGERMK-NXEZZACHSA-N	355.232	2.063	10	10	FECE	
CN1CCCc2cc(CNC(=O)C(=O)N3C[C@@H]4CCCC[C@H]4C3)ccc21	803685461	AUXLVUNEBDUQET-ROUUACIJSA-N	355.482	2.334	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)CNC(=O)c3ccsc3)C2)cc1	819588487	MZXSHKRECNABNN-CQSZACIVSA-N	373.478	2.129	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNCc1ccc(N3CCOCC3)cc1)C2	818226622	UMJWLGVILDIBHJ-NSHGMRRFSA-N	373.497	2.480	10	10	FECE	
CC1(C)OC[C@H]2C[C@]21C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	828155933	CZISXWHDRCVDMS-DYESRHJHSA-N	358.482	2.327	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1	2132412001	ZKAMPGSCIWGXSL-CMPLNLGQSA-N	366.414	2.227	10	10	FECE	
Cc1cc(CN2CCC[C@H]2CS(N)(=O)=O)ccc1N1CCCCC1	828300758	QQOPJVDGXOOBAK-KRWDZBQOSA-N	351.516	2.238	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCCC[C@H]2C(=O)N2CCOCC2)cc1	835027247	JBCQLQLPGQELOQ-PRPIBZDOSA-N	357.498	2.479	10	10	FECE	
O=C1N[C@@]2(C(=O)NCc3cc(Cl)cc(Cl)c3O)C[C@H]3C[C@H]1[C@H]2C3	846158969	BYFXHXFKJSEJQE-YJQJWCECSA-N	355.221	2.230	10	10	FECE	
COc1ccc(N2CC[C@H](N3C(=O)N[C@H](c4cccc(O)c4)C3=O)C2)cc1	849356935	ICRFOXQPUMFDGS-MAUKXSAKSA-N	367.405	2.273	10	10	FECE	
Oc1ncnc2c(NCc3ccc(N4CCC(O)CC4)c(F)c3)nccc12	848647902	NLMIEICUPMYESW-UHFFFAOYSA-N	369.400	2.443	10	10	FECE	
COC(=O)[C@H]1CCN(S(=O)(=O)c2cccc3nonc23)c2ccccc21	758419053	VXEMLVSCQPVSAJ-LBPRGKRZSA-N	373.390	2.078	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cn2c(n1)CC[C@H](C)C2	857958342	IBEBXMXKQBRDAC-AWEZNQCLSA-N	371.437	2.377	10	10	FECE	
COC(=O)/C=C\c1ccc(N(C)CC(C)(C)S(C)(=O)=O)c([N+](=O)[O-])c1	764176057	QIVMKVAUAGQVFF-CLFYSBASSA-N	370.427	2.040	10	10	FECE	
Cn1ncc(I)c1CNCc1cccc(F)c1O	877776411	JHURIUSBIZBTLL-UHFFFAOYSA-N	361.158	2.159	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)cc1	776270689	FWIACLOOTBJRPS-IBGZPJMESA-N	357.410	2.459	10	10	FECE	
O=C(COC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1)c1ccc(O)c(O)c1	783256472	MRSDWYLTPFWQCS-UHFFFAOYSA-N	373.336	2.382	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)NCCC1CS(=O)(=O)C1	787458465	WUOTUJJGWKJHIJ-UHFFFAOYSA-N	352.481	2.320	10	10	FECE	
Cc1cc(CS(=O)(=O)NCc2cc(Br)ccc2O)on1	796190208	CCTGYJJABXJJRK-UHFFFAOYSA-N	361.217	2.071	10	10	FECE	
CC(C)(C)OC(=O)[C@]1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCOC1	1300414335	KLYPYFOCRITSOR-KRWDZBQOSA-N	362.386	2.080	10	10	FECE	
Cc1cc(CNC(=O)NCCOCCN(C)C)c(C)n1-c1ccccc1	1312524602	OVSVMIHOJIODEM-UHFFFAOYSA-N	358.486	2.472	10	10	FECE	
CCOC[C@H](C)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	1329775237	RMNGBPISQIWXOC-INIZCTEOSA-N	361.486	2.177	10	10	FECE	
C[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@H](c2ccccc2)O1	1329788896	XGSWNTOHSCCSNO-IFXJQAMLSA-N	366.417	2.223	10	10	FECE	
C[C@H](N[C@@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1)c1cc(O)ccc1O	1918672113	QWYWYXMYVPYJQO-RYUDHWBXSA-N	352.431	2.119	10	10	FECE	
C[C@H](NC(=O)C(=O)N1CCC[C@@H]1c1ccnn1C)c1ccc(N(C)C)cc1	1262269752	FKJBMKGAAXAZFT-KBXCAEBGSA-N	369.469	2.027	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(C3CN(C)C3)CC2)cc1	1350551552	ZZUWKVWVQBFWOQ-UHFFFAOYSA-N	352.482	2.166	10	10	FECE	
COC(=O)c1cn(CC(=O)NCc2c(O)cccc2O)c2ccccc12	1647177469	AJEUBGJWHOUQGV-UHFFFAOYSA-N	354.362	2.156	10	10	FECE	
CCc1nc[nH]c1C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	1596315364	RRSHWSUBSAQLFJ-UHFFFAOYSA-N	367.497	2.434	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)NCC2(CN=[N+]=[N-])CC2)C[C@H]2OCC[C@@H]21	2124504168	WANPTGJIDHTZLT-RWMBFGLXSA-N	365.434	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](O)C[C@H]1C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2124539568	XEWHYBCPECKCPY-IHRRRGAJSA-N	367.450	2.296	10	10	FECE	
O=C(CCN1C(=O)CSC1=S)Nc1ccc(Cl)c([N+](=O)[O-])c1	1865769395	ZHZPADYRGZVKPJ-UHFFFAOYSA-N	359.816	2.437	10	10	FECE	
COc1cccc(CNC[C@H]2CN(C)CCN2C(=O)OC(C)(C)C)c1O	1967742420	GVRHKUSKACKQLY-HNNXBMFYSA-N	365.474	2.042	10	10	FECE	
O=C(c1cccc(O)c1O)N1CC[C@]2(CN(Cc3ccccc3)CCO2)C1	717428099	FPHGTZKGZOELBN-NRFANRHFSA-N	368.433	2.215	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1Nc1c(N)cccc1C(=O)O	2046526014	VZKAVWLUMQHVRN-STQMWFEESA-N	351.403	2.061	10	10	FECE	
CC1(C)[C@H](O)C[C@@]1(CO)NCc1cc(Cl)cc(Br)c1O	2193970844	PSBUGVWJOLDZCE-RISCZKNCSA-N	364.667	2.420	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC(CN=[N+]=[N-])CC1)C(C)(C)O	2067740200	OBGJXXNROMBECD-LBPRGKRZSA-N	355.439	2.200	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NC(=O)Nc1ccc(N)cc1	2106285196	LWOIGIXIYCIOOD-YJNKXOJESA-N	362.430	2.071	10	10	FECE	
CC(C)(C)OC(=O)N1CCC12CN(c1cc3c(cc1N)NC(=O)CC3)C2	2106846293	MDWSHEOJHHDHHE-UHFFFAOYSA-N	358.442	2.353	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2OCC[C@@]2(C(=O)NCCCCN=[N+]=[N-])C1	2264328753	UCDKCRIPVQLRCH-MLGOLLRUSA-N	353.423	2.219	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1	2288268272	ZXWIWGNLPCUSJR-ARGWCVDVSA-N	374.485	2.442	10	10	FECE	
CCCCNC=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	2297315726	IPGINQFOSSNNRD-UHFFFAOYSA-N	366.215	2.306	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N1C[C@@H]2CCC[C@H](C1)C2O	2297611558	FUJBOPIOLGXZSJ-HTZLVSCSSA-N	356.466	2.156	10	10	FECE	
Cc1ncsc1C=CC(=O)N1CCOc2ccc(S(C)(=O)=O)cc21	2310107504	FAPMZAADWBVUDJ-UHFFFAOYSA-N	364.448	2.294	10	10	FECE	
COC(=O)C1=C(C)N(CCc2c[nH]c3ccccc23)C(=O)/C1=C/N(C)C	102670946	UVKATTBKFKRABE-FOWTUZBSSA-N	353.422	2.445	10	10	FECE	
CCNC(=O)N1CC[C@H](N[C@H](C)c2ccc(N3CCC(O)CC3)cc2)C1	90409898	KLLAVKBOQMJKDT-WBVHZDCISA-N	360.502	2.102	10	10	FECE	
Cc1ccc(CN(C)C(=O)[C@@H](N)C(C)(F)F)c(O)c1Br	2380764361	CPGHBDJOQAHLSS-LLVKDONJSA-N	351.191	2.404	10	10	FECE	
COc1cc(CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccn1	816891427	SAWSNEPDBKWHSD-UHFFFAOYSA-N	373.428	2.049	10	10	FECE	
Cc1nn(C)c(C)c1C(=O)NC1(C(=O)Nc2ccc(N)cc2)CCCC1	818556383	QGICHGHSKVCZGA-UHFFFAOYSA-N	355.442	2.300	10	10	FECE	
CO[C@H](Cc1ccccc1)CS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1	817356374	KCJDHBOBMGOTOV-CQSZACIVSA-N	366.395	2.300	10	10	FECE	
O=C(O)[C@@H]1CC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	901930918	KXZZPTYYFOKITM-NILFDRSVSA-N	368.380	2.484	10	10	FECE	
Nc1ccc(Cc2nc(C(=O)N3CC[C@@H]4CNC[C@@H]4CC3)cs2)cc1	834800597	DVQRQTUQWVOYQL-GASCZTMLSA-N	356.495	2.388	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCC[C@H](C(=O)N3CCOCC3)C2)cc1	835025166	GIJXJASUJRMHRW-UABKOXTMSA-N	357.498	2.337	10	10	FECE	
C[C@@H]1C[C@@H](S(=O)(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CCO1	830200548	NKJBUHGJOKRTQH-RKVPGOIHSA-N	368.499	2.071	10	10	FECE	
Cn1nc2c(c1C(=O)NCc1cc(Br)ccc1O)CCC2	908169914	DNIIAFANGPPUCD-UHFFFAOYSA-N	350.216	2.307	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)NCc1cncc(O)c1	914200467	JJBBLRGMUSAILV-UHFFFAOYSA-N	358.467	2.340	10	10	FECE	
COc1ccc(N2CC[C@H](N3C(=O)[C@@H]4[C@H]5CCC[C@H]5CN4C3=O)C2)cc1	849358294	VEAACAPPKBZMLD-IKICRFKJSA-N	355.438	2.337	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)CCC3CCOCC3)C2)cc1	849417358	PPAUAELRRHHFQA-INIZCTEOSA-N	368.499	2.010	10	10	FECE	
Cc1cc(CC(=O)N2CC(C3CS(=O)(=O)C3)C2)c(C)n1-c1ccccc1	857277804	IBBDKEQSMBVCPF-UHFFFAOYSA-N	372.490	2.140	10	10	FECE	
O=C1CCC2=C(CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)C2)N1	852138417	NJNAFDYAXUKOKY-UHFFFAOYSA-N	352.438	2.142	10	10	FECE	
COc1ccc(N2CCN(CC3=NS(=O)(=O)c4ccccc43)CC2)cc1	851714002	KFZZPKNAJULMJQ-UHFFFAOYSA-N	371.462	2.009	10	10	FECE	
Fc1cc(CNCc2cocn2)ccc1N1CCN(c2ncccn2)CC1	758309614	YWQZZJUBELHOOX-UHFFFAOYSA-N	368.416	2.220	10	10	FECE	
C[C@H](C(=O)N1Cc2cccc(O)c2C1)c1ccc(S(=O)(=O)N(C)C)cc1	871204268	WSYFXSQQIXZMMC-ZDUSSCGKSA-N	374.462	2.288	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2c2cccn2C)cc1	785424592	QOKXPHOGLKSRBQ-LJQANCHMSA-N	368.481	2.461	10	10	FECE	
Cc1cn(C(C)(C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cn1	895786313	RUWKDONHIAQEOS-UHFFFAOYSA-N	374.460	2.343	10	10	FECE	
COC(=O)[C@@H](CC(=O)N[C@H](C)c1ccccc1O)NC(=O)OC(C)(C)C	1877573588	MNZWUOXUOXRXRS-DGCLKSJQSA-N	366.414	2.026	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1CN(C2CCOCC2)C1	897983984	OWLHXSBNQSPSRV-INIZCTEOSA-N	359.514	2.219	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@H](COc2ccccc2)C1	791152355	IGZFHTBFUFLJLD-KMDWOBIYSA-N	355.390	2.417	10	10	FECE	
Nc1cccc(S(=O)(=O)NCc2cc(Br)ccc2O)c1	796192298	XUDNYDLRQZLQNE-UHFFFAOYSA-N	357.229	2.215	10	10	FECE	
Cc1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)O)c(O)c1	1963050355	UXRRSDWFLRSFBU-CQSZACIVSA-N	350.415	2.207	10	10	FECE	
O=C(NCc1c(O)cccc1F)N[C@H]1CCN(c2ccc(F)cc2)C1=O	1230130783	RNOUSBMRDFWPKE-HNNXBMFYSA-N	361.348	2.275	10	10	FECE	
CN(Cc1ccsn1)c1cc2c(cc1Br)[C@H](N)C(=O)N2	705682328	WSMRJNSMPPPTRP-LBPRGKRZSA-N	353.245	2.494	10	10	FECE	
Cc1oc(S(C)(=O)=O)cc1C(=O)NCc1ccc2c(c1)CCCN2C	1329629081	VZYWKDVVGOJFIP-UHFFFAOYSA-N	362.451	2.304	10	10	FECE	
CCOC(=O)N(C)CCCC(=O)N1CCN(c2ccc(OC)cc2)CC1	1266268647	LRFMPTXDNYAZTI-UHFFFAOYSA-N	363.458	2.212	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CCS1	1341095092	URVMTIKDELUCPX-GDBMZVCRSA-N	359.495	2.079	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C/c1ccncn1	1546151728	FMTRIJPQIPBVFC-HWKANZROSA-N	361.785	2.051	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccnc2[nH]c(O)nc12	1626723031	QLHNJUTWYJJYHZ-LBPRGKRZSA-N	353.426	2.399	10	10	FECE	
O=C(CCn1c(=O)nc(O)c2ccccc21)NCc1cc(Cl)ccc1O	1639965505	MGXUXKUFMKEUPV-UHFFFAOYSA-N	373.796	2.168	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)N[C@@H](CO)CC2CCC2)N(C)C)cc1	1565452481	DXYFXKZUAPCQAG-MJGOQNOKSA-N	362.518	2.206	10	10	FECE	
COCCc1nnc(-c2cccc(C(=O)NCc3c(O)cccc3O)c2)o1	1635847930	XFBIWQBGRWWREQ-UHFFFAOYSA-N	369.377	2.267	10	10	FECE	
CC(C)(C)OC(=O)CC1(C(=O)NCc2ccc(O)cc2O)CCOCC1	1570463106	GVAQRXYLQHXWLN-UHFFFAOYSA-N	365.426	2.243	10	10	FECE	
Cc1cc(=O)c(C(=O)NCc2c(O)cccc2F)nn1-c1ccccc1F	1645048374	SUDNQEVJXCIVFI-UHFFFAOYSA-N	371.343	2.455	10	10	FECE	
C[C@H](NC(=O)c1c(I)cnn1C)c1ccccc1O	1643745387	NFKLQADMWYJVBY-QMMMGPOBSA-N	371.178	2.221	10	10	FECE	
COC(=O)c1cnc(CNC(=O)NCc2cc(Cl)ccc2O)s1	1687620452	LZGYQDJUHQVJPH-UHFFFAOYSA-N	355.803	2.288	10	10	FECE	
[N-]=[N+]=NC1CN(CC(=O)Nc2ccccc2I)C1	1912168202	BYRGDWGWHXAYON-UHFFFAOYSA-N	357.155	2.224	10	10	FECE	
O=C1c2ccccc2C(=O)N1CCCOc1ccc(N2CCNCC2)cc1	327561190	ATZJHOQYHDRSPM-UHFFFAOYSA-N	365.433	2.161	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060635062	HOIQTIBDMNEVAR-CHWSQXEVSA-N	353.423	2.314	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)N2CCC[C@H](N=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060613522	RWTPECYGXDWXKT-YNEHKIRRSA-N	353.423	2.312	10	10	FECE	
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060636512	YRYNWQWKJZWIQQ-AVGNSLFASA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2060639815	MDUFCXVQJXVSBN-OLZOCXBDSA-N	353.423	2.314	10	10	FECE	
COC1(CNC(=O)OC(C)(C)C)CC(C(=O)N(C)CCCN=[N+]=[N-])C1	2060634655	CGCHXTSLLIHTRD-UHFFFAOYSA-N	355.439	2.465	10	10	FECE	
C[C@H](c1ccccc1O)N(C)c1c(O)nc(=O)n(Cc2ccccc2)c1N	2192595769	IQFTYEAPCOPPGP-CYBMUJFWSA-N	366.421	2.482	10	10	FECE	
CO[C@H]1C[C@@H](C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2218738497	PQYZCAAHIOQGKY-RVMXOQNASA-N	353.423	2.358	10	10	FECE	
CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-]	2218744682	ZRMIZPCVYGMWNA-AVGNSLFASA-N	354.455	2.179	10	10	FECE	
CN(CC1(O)CCN(Cc2ccccc2)CC1)C(=O)c1ccc(O)c(O)c1	2286419442	KPFNSEPNXOUIBJ-UHFFFAOYSA-N	370.449	2.197	10	10	FECE	
Cc1ccc(C(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)c(O)c1O	179494635	IQCHRSUHTHXILL-OAHLLOKOSA-N	358.369	2.423	10	10	FECE	
CNc1ncc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)s1	136793023	LQJKZJVUWFLMPH-UHFFFAOYSA-N	350.419	2.091	10	10	FECE	
Cc1cncc(/C=C/C(=O)N(C)c2ccc(S(=O)(=O)N(C)C)cc2)c1	193047021	KFABWTAHQOBDHA-BJMVGYQFSA-N	359.451	2.317	10	10	FECE	
CNC(=O)NC[C@@H]1CN(Cc2c(O)ccc3oc4c(c23)CCCC4)CCO1	530104844	PXXUTUNMZVNXAI-CYBMUJFWSA-N	373.453	2.147	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@H]3CCCOCC3)cc2F)CC1	365495458	ZKDPIZJIXQBGDW-KRWDZBQOSA-N	363.477	2.401	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCOc4cc(O)ccc4C3)cc2N1	370734947	AXJJBDWFQMGXRM-UHFFFAOYSA-N	357.322	2.030	10	10	FECE	
NC(=O)c1ccc(N2CCN(Cc3cc(Cl)c(F)cc3O)CC2)nc1	295220176	BPLPXWYOGUZOQI-UHFFFAOYSA-N	364.808	2.001	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cn([C@H]2CCCNC2)nn1	818211459	DACKGLDTTXDOMW-SFHVURJKSA-N	370.501	2.319	10	10	FECE	
COC[C@H](CCCN)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	817888858	QGGVFFIVHRWKFP-INMHGKMJSA-N	353.482	2.283	10	10	FECE	
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1	2132413362	MOCZSWPBGGUDJB-PWSUYJOCSA-N	366.414	2.179	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1	2132413171	KPGKZSOXHCAWCK-PWSUYJOCSA-N	366.414	2.227	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1c(Cl)n[nH]c1C	911304004	SEQSHAKHEDCLBU-UHFFFAOYSA-N	351.790	2.283	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C1CCOCC1)C1CC1	846741978	AWEFQMANPZGAJM-LJQANCHMSA-N	373.497	2.032	10	10	FECE	
C[C@@](O)(CO)CNCc1ccc(N2CCCCC2)c(Br)c1	842208781	XCPGTXHQEAALJA-INIZCTEOSA-N	357.292	2.272	10	10	FECE	
CNC(=O)[C@H](CNC(=O)c1ccc(C)c(O)c1O)Cc1ccc(F)cc1C	843937070	LHWJBECKKJXYIE-AWEZNQCLSA-N	374.412	2.188	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)C(=O)Nc2cc(C)cnc2C)cc1	846099094	WVDGCGNBEVUMPF-UHFFFAOYSA-N	370.453	2.240	10	10	FECE	
COc1cc(Br)cc([C@H](C)NC[C@@H](CO)[C@@H]2CCOC2)c1O	848549798	UNTMFTRLSUZTOS-TUAOUCFPSA-N	374.275	2.459	10	10	FECE	
O=C(NCc1c(O)cccc1F)[C@H]1CCCN1C(=O)Cc1cccs1	928710344	BWWCDDCPXNQKCZ-OAHLLOKOSA-N	362.426	2.443	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H]3CO[C@H](C4CC4)C3)CC2)cc1F	858911801	QQDVXIOJJLGIOV-KDOFPFPSSA-N	363.433	2.233	10	10	FECE	
Cc1cc(CC(=O)N2CC[C@@H](S(C)(=O)=O)C2)c(C)n1-c1ccccc1	854346171	WKIPEYOIIQVSHD-GOSISDBHSA-N	360.479	2.282	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)NCCN2C[C@@H]3CCCCN3C2=O)c1	850562833	PLPPCEPKXHURDW-ZFWWWQNUSA-N	361.442	2.120	10	10	FECE	
CN(Cc1ccc2c(c1)OCO2)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	757509513	VWYGDWSSXMCYAH-UHFFFAOYSA-N	357.322	2.291	10	10	FECE	
CO[C@@]1(CO)CCCN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1	854176349	FFGXCVYKFCNHPZ-JXFKEZNVSA-N	363.502	2.175	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)C2)cc1	855226777	UEQMWYLOOAALTQ-KBXCAEBGSA-N	371.393	2.032	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](C)c2ccnn2C)cc1	867307307	NZKXDQDUWCOUBT-HNNXBMFYSA-N	371.485	2.102	10	10	FECE	
CCN(CC)c1ccc(CN2CCC[C@@H](CS(=O)(=O)NC)C2)cc1F	862550968	IGYCRVFCLKTLQR-MRXNPFEDSA-N	371.522	2.433	10	10	FECE	
CN1CCCc2cc(CNC(=O)C(=O)NCC[C@]3(C)CC3(F)F)ccc21	1118605049	ZLEZMUZAFKOATG-GOSISDBHSA-N	365.424	2.237	10	10	FECE	
CN1CCCc2ccc(S(=O)(=O)Nc3ccc(O)cc3C(=O)O)cc21	776433596	XIGWISXTVFJXCR-UHFFFAOYSA-N	362.407	2.274	10	10	FECE	
Cc1ccc(/C=C\C(=O)N(C)c2ccc(S(=O)(=O)N(C)C)cc2)cn1	785432750	BBWIWTGTEVSYTM-GHXNOFRVSA-N	359.451	2.317	10	10	FECE	
O=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCc1cccc(O)c1O	1123979019	ZLSBIDPRRHZUDV-UHFFFAOYSA-N	355.316	2.118	10	10	FECE	
CN(CCCO)C1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1	897235530	UTKIACSYNNROMI-UHFFFAOYSA-N	364.467	2.231	10	10	FECE	
CCOC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1C	1136743788	BUUBOOZNZSICNI-OAHLLOKOSA-N	351.472	2.209	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCCOCC(F)(F)C(F)F)cc1	1139967549	RDNQMKKUCLGOOC-UHFFFAOYSA-N	350.272	2.496	10	10	FECE	
C[C@H]1CN(Cc2cc(F)cc(F)c2O)CCN1C(=O)c1cscn1	894966898	MLOGBRIZTSCHTI-JTQLQIEISA-N	353.394	2.473	10	10	FECE	
COc1ccc(N2CCN(C(=O)Nc3cnc4ccnn4c3)CC2)cc1	888907041	GZOLIVKDXWSIBQ-UHFFFAOYSA-N	352.398	2.092	10	10	FECE	
Nc1cc(COC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)ccn1	791495359	WANLSWFIZRCORM-UHFFFAOYSA-N	373.368	2.378	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1	1565595779	ZUJMMPGTBXHEIG-OAHLLOKOSA-N	351.366	2.384	10	10	FECE	
O=C(Cn1cnc2c(oc3ccccc32)c1=O)NCc1c(O)cccc1F	1646028632	JJPWAOIXYLEZGW-UHFFFAOYSA-N	367.336	2.304	10	10	FECE	
CC(C)(C)OC(=O)c1c(NC(=O)c2cc(O)cs2)nc2n1CCOC2	1640188088	MDFVRXOOSPWSGA-UHFFFAOYSA-N	365.411	2.388	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(=O)N2CCC(CN=[N+]=[N-])CC2)CO1	2124505087	HJOMQMBYVRFLTP-KGLIPLIRSA-N	367.450	2.465	10	10	FECE	
C[C@@H](NCc1cc(F)cc(F)c1O)C1(O)CN(C(=O)OC(C)(C)C)C1	1918716859	GXHUTMNTZFNRHU-SNVBAGLBSA-N	358.385	2.130	10	10	FECE	
CN[C@H](c1ccccc1O)[C@](O)(CCCNC(=O)OC(C)(C)C)COC	1920623948	JIIYVOUNIUESGZ-APWZRJJASA-N	368.474	2.335	10	10	FECE	
COc1ccc(Br)c(CN[C@@H](C)[C@@H](C)S(C)(=O)=O)c1O	1970407481	AEBVCYCGNSXPQT-DTWKUNHWSA-N	366.277	2.075	10	10	FECE	
O=S1(=O)C[C@H]2C[C@H](NCc3cc(Br)ccc3O)C[C@H]2C1	1974477301	MVBIWBOZOHFBLK-PJXYFTJBSA-N	360.273	2.068	10	10	FECE	
COC1(CN[C@@H](C)c2ccc(O)cc2O)CN(C(=O)OC(C)(C)C)C1	2040145947	MGRACQAJVNKNJE-LBPRGKRZSA-N	352.431	2.384	10	10	FECE	
C[C@H](N)c1ccc(N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)cc1Br	400887248	JQQDDRNAPMLJNT-MXWKQRLJSA-N	361.305	2.481	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@H]1NCc1ccc(O)cc1O	387929673	LSGZQAGRCPSDOK-PQEBFOHHSA-N	364.442	2.258	10	10	FECE	
COc1ccc(CN[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)cc1C	2070037410	MPLNNUSJPGUNIC-IBGZPJMESA-N	350.459	2.465	10	10	FECE	
COc1ccc(N2CCO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(N)c1	2106709011	HJASOPPZDWHKRH-LJQANCHMSA-N	363.458	2.494	10	10	FECE	
COc1cc(N)c(N2CC[C@H](NC(=O)C(F)(F)F)C[C@@H]2C)cc1OC	2106880387	IWQYRAKSSGHDTE-UWVGGRQHSA-N	361.364	2.322	10	10	FECE	
C[C@H](N[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)c1c(O)cccc1O	2121676447	YUHXTOOGVHDTCV-VPWBDBDCSA-N	364.442	2.383	10	10	FECE	
CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])C1	2218746749	RKDASPJGLZVTKS-PVTKRXDGSA-N	353.423	2.406	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCCC[C@@]2(C(=O)N2CC[C@H](N=[N+]=[N-])C2)C1	2228748058	UNCNNLCTZNQNDU-GDZNZVCISA-N	365.434	2.314	10	10	FECE	
CCOc1ccc(C=C2SC(=S)N(NC(C)=O)C2=O)cc1OC	2314736042	QDRWQJUKDZVVLE-UHFFFAOYSA-N	352.437	2.346	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](NCc2ccc3c(c2)CCO3)(C(=O)O)C1	2346061759	ROMMZOBBYMWQIU-IBGZPJMESA-N	362.426	2.175	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)/C=C/c3ccncn3)cc2F)CC1	183828492	OJERDFGWUQNCKO-GQCTYLIASA-N	369.444	2.087	10	10	FECE	
O=[N+]([O-])c1cc(NS(=O)(=O)c2c(Cl)nc3ccccn23)ccc1O	133756715	TWSQGSUJFDOWLP-UHFFFAOYSA-N	368.758	2.402	10	10	FECE	
C[C@@H](OCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1nccn1C	806823479	VPHRYWPOOSQJKS-WBVHZDCISA-N	373.453	2.411	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCC[C@@H]2O)C1	634414242	QNKLRGASTFNING-PXNSSMCTSA-N	355.482	2.437	10	10	FECE	
C[C@@H]1C[C@H](S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCO1	295439698	DNMVCAIUQYMGDZ-DJIMGWMZSA-N	369.483	2.271	10	10	FECE	
O=C(NCCCSc1nccs1)NC[C@H](CO)c1cccnc1	806958763	MDEXQLXXUPOGAS-CYBMUJFWSA-N	352.485	2.096	10	10	FECE	
CO[C@H]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	292740037	HCXLZVYFCYGRGB-YJBOKZPZSA-N	350.434	2.484	10	10	FECE	
O=C(NCCCc1nccs1)NCc1ccc(N2CCOCC2)cc1	290612510	CWSRGPGURBRFBJ-UHFFFAOYSA-N	360.483	2.412	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CC1(C)C	2132417758	FWOUYCHYNGAMSG-ZDUSSCGKSA-N	366.414	2.179	10	10	FECE	
Cc1ccc(C(=O)OCc2ccc(S(=O)(=O)N(C)C)s2)c(O)c1O	820325683	FUZIHPXLIWIKGA-UHFFFAOYSA-N	371.436	2.075	10	10	FECE	
CN1CCN(c2ccc(CN3CC(=O)Nc4ccccc4C3)cc2)CC1	848925784	KEEDLGIBXNVCFR-UHFFFAOYSA-N	350.466	2.393	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCCC[C@@H]1[C@H]1CCNC1	844223746	BLMLVHMEIRJTNG-AZUAARDMSA-N	358.530	2.175	10	10	FECE	
CSCC[C@@H](NC(=O)c1ccco1)C(=O)NCc1c(O)cccc1F	928707802	BUODKXOFKZSCGN-CYBMUJFWSA-N	366.414	2.292	10	10	FECE	
COC(=O)CC1CC(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1	925191429	OZSSZBVHMAWRAC-UHFFFAOYSA-N	366.801	2.152	10	10	FECE	
Cn1cc(CNCc2ccc(N3CCOCC3)cc2)c(Br)n1	858106446	JHAODENEMPFKCQ-UHFFFAOYSA-N	365.275	2.309	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(c2nccnn2)CC1	862433635	LMFIURDZFVBLBW-UHFFFAOYSA-N	368.466	2.303	10	10	FECE	
CC(=O)N1Cc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3O)cc2C1	867836518	WAKHDKCQKNGVLK-LBPRGKRZSA-N	360.435	2.294	10	10	FECE	
O=C(COc1ccc(N2CCCC2=O)cc1)N1Cc2cccc(O)c2C1	871197979	CCMPRFHSTYVEPJ-UHFFFAOYSA-N	352.390	2.440	10	10	FECE	
C[C@H](NC(=O)C(=O)Nc1cnn(C)c1C1CC1)c1ccc(N(C)C)cc1	773849559	VXRNWFBHZLTBPF-LBPRGKRZSA-N	355.442	2.179	10	10	FECE	
COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc(N2CCN(C)CC2)cc1	786578173	JEFBQJSKNSBPFB-RLLQIKCJSA-N	357.498	2.212	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CN(C)C[C@@H]1c1ccccc1	1138152382	GCYFTWNWVMHVBJ-QGTPRVQTSA-N	354.450	2.490	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCc2cscc2Cl)cc1	897361285	DBLRGJKILKTJEN-UHFFFAOYSA-N	351.859	2.400	10	10	FECE	
COc1ccc(CNC(=O)c2nnn(C3CC3)c2C(F)(F)F)c(O)c1	794377575	QDPPTKSEXWDCNB-UHFFFAOYSA-N	356.304	2.276	10	10	FECE	
CCOC(=O)C1(C(=O)NCc2ccc3c(c2)CCCN3C)CCOCC1	795833517	RSJLOWINZTVIHW-UHFFFAOYSA-N	360.454	2.045	10	10	FECE	
O=C(N[C@H]1C[C@@H](C(=O)NCc2cc(O)ccc2O)C1)OCc1ccccc1	1303225219	CAKNRLZSDVIATB-FZNQNYSPSA-N	370.405	2.419	10	10	FECE	
COC(=O)NC1CN(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)C1	1330947365	TWEKFFSUWOTGEM-UHFFFAOYSA-N	370.453	2.386	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)NC3([C@H]4CCCO4)CCC3)cc2)CC1	1347847346	ZNELFIVPGDRICL-LJQANCHMSA-N	372.513	2.339	10	10	FECE	
COC(=O)c1cccc2c1OCCN(C(=O)/C=C\c1ccc(O)c(O)c1)C2	1472177124	WUHUIIITIYUXEQ-VURMDHGXSA-N	369.373	2.319	10	10	FECE	
COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1	1627190975	IHAJNHAJFKDKNA-AWEZNQCLSA-N	372.303	2.417	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2124504635	BAPWYNPQCHYVBJ-CHWSQXEVSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)C1	2124532027	IDOOBXONWOJIPA-SUMWQHHRSA-N	367.450	2.297	10	10	FECE	
C[C@H]1CCCN1CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1676496903	DJZRITIEVMNSGB-QFBILLFUSA-N	361.534	2.139	10	10	FECE	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)NN1CCOCC1	17076429	OYUHVGPWRYNUBB-GHRIWEEISA-N	373.413	2.208	10	10	FECE	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N[C@H]3CCC(=O)NC3=O)c2C)c1	153386683	RCUZNZZKVBMLTI-KRWDZBQOSA-N	353.422	2.246	10	10	FECE	
C[C@@H](N=c1nc(CN(C)C(=O)OC(C)(C)C)[nH][nH]1)c1ccc(O)cc1O	2128847206	JDWQPWBLMUJKNQ-SNVBAGLBSA-N	363.418	2.178	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)=C[C@@H]1O	2131475715	KAPFQSVDORYNHI-YUTCNCBUSA-N	365.434	2.120	10	10	FECE	
CC(C)N[C@@](CSc1nccs1)(C(N)=O)C1(Br)CC1	2141667796	MEVZVYUVQAKMLS-LBPRGKRZSA-N	364.334	2.385	10	10	FECE	
C[C@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@H]1CNC(=O)OC(C)(C)C	2054398680	BQTICYXBPUGARV-WCQYABFASA-N	350.415	2.331	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)c2ccc(O)c(O)c2)C1	2054409645	FRBBLCVNFMJAJV-GOSISDBHSA-N	350.415	2.475	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)N(C)CCCN=[N+]=[N-]	2060635058	HIPIBEWOKLAEDP-STQMWFEESA-N	355.439	2.417	10	10	FECE	
C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)COc1ccc(N)cc1	2106259111	IIBVGAQFGSKCOC-CJNGLKHVSA-N	363.458	2.409	10	10	FECE	
CN1CCc2cc([C@](C)(N)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)ccc21	2106856629	BQFGGWMKLHUQKP-XLIONFOSSA-N	361.486	2.489	10	10	FECE	
CN1CCc2cc([C@H](N)C3(O)CCN(C(=O)OC(C)(C)C)CC3)ccc21	2106850758	LXFZCEXXJAGELX-KRWDZBQOSA-N	361.486	2.441	10	10	FECE	
COC(=O)[C@@H](CCN[C@H]1CCc2cccc(O)c21)NC(=O)OC(C)(C)C	2088542279	GRKUZSFBYZZFFI-UONOGXRCSA-N	364.442	2.426	10	10	FECE	
COc1ccc(N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC	2219643030	MUOINFQVZKETLS-TZMCWYRMSA-N	352.431	2.168	10	10	FECE	
Cc1ccccc1C=C1C(=O)NC(=O)N(c2ccc(C(=O)O)cc2)C1=O	2297350892	JZYMQYJOPYQMMG-UHFFFAOYSA-N	350.330	2.360	10	10	FECE	
COC(=O)CCN1C(=O)C(=Cc2cccc(OC)c2OC)SC1=S	2314729054	SPMFTPJJCWOPDQ-UHFFFAOYSA-N	367.448	2.468	10	10	FECE	
CN(C)c1ccc2c(c1)CCN2C1(C(=O)O)CN(C(=O)OC(C)(C)C)C1	2345537851	CKCQMCDUBRBUQW-UHFFFAOYSA-N	361.442	2.189	10	10	FECE	
CCc1n[nH]c([C@@H]2CN(Cc3cc(Cl)cc([N+](=O)[O-])c3O)CCO2)n1	129196104	AITHSBSXZKRBFG-LBPRGKRZSA-N	367.793	2.208	10	10	FECE	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)cc1	48141604	IBMXKKPJSWIBQJ-QGZVFWFLSA-N	373.478	2.471	10	10	FECE	
c1cnc(OC2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)cn1	369671264	SHMSCNRKSIFZFV-UHFFFAOYSA-N	354.454	2.357	10	10	FECE	
CC(=O)C(=O)COC(=O)c1sc(COc2ccc(F)cc2)nc1C	808492774	FGDHKVBKBCWIIA-UHFFFAOYSA-N	351.355	2.485	10	10	FECE	
CC(=O)C(=O)COC(=O)c1ccc(I)cc1Cl	808514277	ZQOPTFQGXHITDN-UHFFFAOYSA-N	366.538	2.260	10	10	FECE	
CN1CCN(C[C@H](O)COc2ccc(N3CCCCC3)c(Cl)c2)CC1	817570923	JWRKRMLWHMOSLE-INIZCTEOSA-N	367.921	2.317	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)C2	819617106	XNHVYQGBDUJRKP-UNYOWURSSA-N	360.410	2.094	10	10	FECE	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cn(C)c(O)n2)cc1	824782076	DRJCCNNMKAHNBN-INIZCTEOSA-N	358.442	2.013	10	10	FECE	
C[C@H](NC(=O)N1CC[C@H](Nc2ncccn2)C1)c1ccc(N(C)C)cc1	826532875	YSCXOJGDXVLBEA-HOCLYGCPSA-N	354.458	2.500	10	10	FECE	
COc1cccc(C[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)C(=O)O)c1	908758518	MTNBQOQDZHUHKK-GOSISDBHSA-N	371.437	2.256	10	10	FECE	
Oc1ccc(Br)cc1CN[C@@H]1CNCC2(CCOCC2)C1	903974038	KELMBVYGRRSETP-AWEZNQCLSA-N	355.276	2.403	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCCN2CCSC[C@H]12	919909537	RTOXZHAOLOXXQR-RBUKOAKNSA-N	372.538	2.442	10	10	FECE	
OCC1CCN(c2ccc(CNC[C@H](O)c3ccc(F)cn3)cc2)CC1	843066409	WPKXADDCACTOBT-FQEVSTJZSA-N	359.445	2.253	10	10	FECE	
CCCN(CCC)c1ccc(CN[C@H]2CCN(S(C)(=O)=O)C2)cc1	846037429	OUTRVXJTUNZBNE-KRWDZBQOSA-N	353.532	2.437	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@H](OC(F)F)C3)C2)cc1	854296017	ABJXYIOVCBSTIO-DOMZBBRYSA-N	355.385	2.297	10	10	FECE	
COc1ccc(CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)c(O)c1	850763039	UFWPWIAJXFSPAX-SFHVURJKSA-N	357.410	2.383	10	10	FECE	
CN(C)c1ccc(CN(C(=O)NCCc2nnc3n2CCC3)C2CC2)cc1	754928204	UHMCLZDQISWDHA-UHFFFAOYSA-N	368.485	2.207	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCCN3CCC[C@@H](C)C3)C2)cc1	851979593	ZDENSMVFTDGFFQ-SJORKVTESA-N	360.502	2.305	10	10	FECE	
O=C(Nc1cccc(Cn2cccnc2=O)c1)c1c(F)ccc(O)c1O	764378174	RGLSYYRMJYJQEX-UHFFFAOYSA-N	355.325	2.094	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@H](C1CC1)[C@@H]1CCCOC1)c1ccc(N(C)C)cc1	1119756370	JVXZMUHFKBCYNT-POZUXBRTSA-N	373.497	2.251	10	10	FECE	
CCN(C)C(=O)CNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C	773655509	AMHVACMVHWLXMW-UHFFFAOYSA-N	356.470	2.414	10	10	FECE	
COC(=O)[C@H]1[C@H](CNCc2cccc(Br)c2O)C1(F)F	894571209	NUABEJRIRMHDFX-WCBMZHEXSA-N	350.159	2.299	10	10	FECE	
CCOC(=O)[C@@H](CCOC(C)(C)C)NC(=O)c1ccc(C)c(O)c1O	781017611	CPRPILYTZHXLGF-CYBMUJFWSA-N	353.415	2.273	10	10	FECE	
C[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)CN1CCOCC1	896500953	JHDJZGCIVDZMBE-LLVKDONJSA-N	350.440	2.011	10	10	FECE	
CO[C@H](C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)C1CC1	791685483	QHLUKCDQYQFFIO-FQEVSTJZSA-N	357.498	2.260	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)c1cccc(-c2nc(=O)o[nH]2)c1	1142731123	KUPXLKCJPKYFLM-UHFFFAOYSA-N	362.345	2.214	10	10	FECE	
COc1ccc(N2CCN(CC[S@@](=O)C(F)(F)F)CC2)cc1F	1307574052	LOBYOKKEFUVCAJ-HSZRJFAPSA-N	354.369	2.225	10	10	FECE	
C[C@@H]1CN(Cc2ccccc2)C[C@H]1CNS(=O)(=O)Cc1ccc(N)cc1	708510822	MDELQXQOTIQUMU-VQIMIIECSA-N	373.522	2.456	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NC[C@@]1(C)CC1(F)F	1261718585	LTWMWSLHLYYSBP-FZKQIMNGSA-N	367.440	2.270	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)CCCn3cccc3)CC2)cc1	1442465684	DRDVZPXESQYNLY-UHFFFAOYSA-N	370.497	2.215	10	10	FECE	
O=C(NCc1ccc(O)cc1O)C1(C(=O)Nc2c(F)cccc2F)CC1	1299573314	JNMHGOLPYDUOKG-UHFFFAOYSA-N	362.332	2.411	10	10	FECE	
COC(=O)Cc1csc(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)n1	1472507471	AKFWMETVEAWJDS-UHFFFAOYSA-N	361.383	2.298	10	10	FECE	
COc1ccc(-n2cc(O)c(C(=O)N3Cc4cccc(O)c4C3)n2)cc1	1471355548	KLSKTPIFGNKQRP-UHFFFAOYSA-N	351.362	2.448	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc3c(n2)CCCC3)c1	1471717543	UTWJHCCJGSRYJE-UHFFFAOYSA-N	361.423	2.290	10	10	FECE	
COc1ccc(N2C(=O)/C(=C\c3ccc(C)o3)C(=O)NC2=S)c(OC)c1	868440	ASAOFYDUIVILKP-JYRVWZFOSA-N	372.402	2.437	10	10	FECE	
CN(C)Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)o1	1637004808	QFCDFRGZUYYVDV-GOSISDBHSA-N	358.486	2.440	10	10	FECE	
CCn1c(SCC(=O)NCc2c(O)cccc2O)nnc1-c1ccco1	1647177539	DCHFDKWBTNAUPQ-UHFFFAOYSA-N	374.422	2.378	10	10	FECE	
COC(=O)CC1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCOCC1	1587089137	VIBKUXZCOPSHTD-UHFFFAOYSA-N	365.407	2.155	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)NCC2(CN=[N+]=[N-])CC2)C1	2124540372	GTGUUJNXEBSVBX-KRWDZBQOSA-N	367.450	2.345	10	10	FECE	
C[C@H](NCCN1CCC(N(C)C)CC1)c1ccc(N2CCOCC2)cc1	160151002	QGHVMOAKDJTWMV-SFHVURJKSA-N	360.546	2.200	10	10	FECE	
C[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CCOCC1	154329564	MBHMLNZUYDEIHJ-AWEZNQCLSA-N	364.461	2.466	10	10	FECE	
CO[C@@H]1C[C@H](NCc2cc(Cl)cc(Br)c2O)C[C@@H]1O	2130805270	QEWLDOOSCISLAB-ADEWGFFLSA-N	350.640	2.436	10	10	FECE	
CN(C)c1ccc(CN=c2[nH]nc(CCNC(=O)OC(C)(C)C)o2)cc1	2138812708	LBRKSIGWWMDBRL-UHFFFAOYSA-N	361.446	2.237	10	10	FECE	
COc1ccc(O)c(CN[C@H]2COCC[C@H]2NC(=O)OC(C)(C)C)c1	2031531969	GRQLKHQCNFPUAZ-CABCVRRESA-N	352.431	2.173	10	10	FECE	
Nc1ccc(OC[C@@H](O)CN2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)cc1	2160683162	HVZVOVHRQPITFC-JBACZVJFSA-N	367.493	2.215	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@]12CCN(c1cc3c(cc1N)OCC(=O)N3)C2	2163077324	BOYYTBHJJWRCTQ-IBGZPJMESA-N	374.441	2.189	10	10	FECE	
CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC12CC2)c1ccc(N)cc1	2163046144	VDOAMLCHQKMSII-UHFFFAOYSA-N	374.485	2.317	10	10	FECE	
COC(=O)c1cnn(Cc2c(C)cccc2O)c1I	2070365519	OVYCBTFILGJRAV-UHFFFAOYSA-N	372.162	2.337	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)C1CC(F)(F)C1	2049786990	RZBBUQAVOOCILO-GAFUQQFSSA-N	360.401	2.191	10	10	FECE	
Cn1cc(C(=O)NCCCCN=[N+]=[N-])nc1CNC(=O)OC(C)(C)C	2060637136	HIJDCVYPHSIBPR-UHFFFAOYSA-N	351.411	2.265	10	10	FECE	
CN1CCc2cc([C@@H](O)CN3CC(CNC(=O)OC(C)(C)C)C3)ccc21	2112981465	SBIIATYZHAMBLG-SFHVURJKSA-N	361.486	2.169	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])CC1	2218735935	SUUHXXMXYWJDKL-VXGBXAGGSA-N	353.423	2.096	10	10	FECE	
C[C@@H]1OC2(C(=O)NCC3(CN=[N+]=[N-])CC3)CC1(NC(=O)OC(C)(C)C)C2	2266069126	LAJPCNNLUNPTTE-OSSATUEASA-N	365.434	2.408	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NC(=O)CCOc1ccc(N)cc1	2333046332	ACKSZZNDUPGWPN-NUTKFTJISA-N	361.442	2.162	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CC[C@](O)(C(F)(F)F)C1	175163167	BSWGBJCXJQLEGU-ZNNBYXKUSA-N	370.371	2.062	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCN(C[C@H]3CCCCN3C)CC2)cc1	107325677	VWKGHVKWIJYIDK-HXUWFJFHSA-N	373.545	2.064	10	10	FECE	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)CCC(F)(F)F)cc1C	171337668	NPFXEUBHZACZGF-UHFFFAOYSA-N	374.406	2.451	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)Nc1cccnn1	92076001	URJKOANHQARXRN-UHFFFAOYSA-N	366.469	2.330	10	10	FECE	
COCCN1C(=O)/C(=C\c2c(OC)ccc3ccccc23)C(=O)NC1=S	254304266	WOIWRYRVMBPPSX-PTNGSMBKSA-N	370.430	2.122	10	10	FECE	
CC(C)[C@@H](O)CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	265866185	MYTQYVWZDSOYOC-IYOUNJFTSA-N	367.465	2.255	10	10	FECE	
COc1ccc(O)c(CN2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)c1	377917810	MROIOLXZXNAAJH-HOCLYGCPSA-N	368.433	2.410	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H]3CCCOC3)cc2F)C[C@H](C)O1	287057433	HDDLXPRAHQHBPB-DZKIICNBSA-N	365.449	2.418	10	10	FECE	
Cc1ccc(CN[C@@H](C)[C@@H]2CCS(=O)(=O)C2)c(O)c1Br	2381129751	OQZJPSXQKHBHQG-CMPLNLGQSA-N	362.289	2.376	10	10	FECE	
CC(C)(C)C(=O)NCCC(=O)NCc1cc(Br)ccc1O	804734587	RUWBIMHKRFCCIU-UHFFFAOYSA-N	357.248	2.323	10	10	FECE	
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1cc(Br)ccc1O	805199449	SZRISMLUZWWGPX-YGRLFVJLSA-N	368.275	2.437	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cnc(C2CC2)nc1	294845171	MYEBTGIMWIVKLK-UHFFFAOYSA-N	370.428	2.384	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC[C@H](n3ccnn3)C2)c([N+](=O)[O-])c1	819946265	KCHZLSUJNBCANT-VSKVDJIOSA-N	357.370	2.214	10	10	FECE	
COC(=O)[C@@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)[C@@H](C(=O)OC)C1	835045316	UTHDJOAUFDDOED-WXFDERKXSA-N	360.454	2.192	10	10	FECE	
COc1ccc(N2CC[C@@H](N3C(=O)N[C@H](CC4(OC)CCC4)C3=O)C2)cc1	849358445	WEUGSZHCUFXOBV-NVXWUHKLSA-N	373.453	2.154	10	10	FECE	
C[C@@H](NC[C@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(F)cc1O	842882492	GYIZNQYONJEGDN-YPMHNXCESA-N	351.399	2.417	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCC(c3nnc4n3CCNC4)CC2)cc1	843118168	AONNWAPRGQWZRH-ARJAWSKDSA-N	366.513	2.340	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(Cn2cnnc2)CC1	845001897	FWBLBEQYEFZSAD-UHFFFAOYSA-N	366.469	2.276	10	10	FECE	
CN(C)c1ccc(CN2C[C@@H]3COC[C@]3(C(=O)O)C2)c(C(F)(F)F)c1	854242986	UCLMBHUTAQDMCZ-MLGOLLRUSA-N	358.360	2.304	10	10	FECE	
C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)NCc3c(O)cccc3F)O2)[C@@H]1C	924049040	DEDYZTNJVIBECG-SJBDTSRBSA-N	352.406	2.303	10	10	FECE	
CS(=O)(=O)C1(CNC(=O)NCc2c(O)cccc2F)CCCCC1	923275449	CNWMQRKAOPVQNS-UHFFFAOYSA-N	358.435	2.078	10	10	FECE	
CN1Cc2ccccc2[C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C1=O	857854063	IKINVZAPNZJQRM-SFHVURJKSA-N	370.428	2.404	10	10	FECE	
COc1ccc(N2CC[C@@H](Nc3ccnc(N4CCOCC4)n3)C2)cc1	853758702	JKJKSVPBSOBRAS-OAHLLOKOSA-N	355.442	2.013	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N[C@@H]4CCCC[C@H]43)CC2)cc1	854198310	HXVROGHDCJZFPN-IPMKNSEASA-N	371.481	2.039	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cccc(-c4nc[nH]n4)c3)C2)cc1	855233596	IVQAXQKJJPSLJO-INIZCTEOSA-N	363.421	2.489	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cn(CC(F)F)nc3C)CC2)cc1	929249076	DFHMSYADTNPGPP-UHFFFAOYSA-N	364.396	2.428	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N(C)Cc3cnn(C)c3C)C2)cc1	852451201	FYUHAEOQTLDWML-MRXNPFEDSA-N	357.458	2.157	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cnn(C)c3-n3cccc3)C2)cc1	855232589	SGILURHUZWIACU-HNNXBMFYSA-N	365.437	2.228	10	10	FECE	
C[C@@H](O)CN1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1	769326129	BDMLVCBDOJKZMN-MRXNPFEDSA-N	362.474	2.084	10	10	FECE	
O=C([C@H]1CCCC12OCCO2)N(Cc1ccccc1O)C[C@@H]1CCCO1	774065881	IYEFHIBTLXDREN-DLBZAZTESA-N	361.438	2.443	10	10	FECE	
CCN(CC(=O)O)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	780599387	KNHCPGYJFIDTIF-GFCCVEGCSA-N	371.384	2.373	10	10	FECE	
CCOC(CC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1)OCC	786308024	IALYAHNCRYAHKG-UHFFFAOYSA-N	354.422	2.272	10	10	FECE	
Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)n1	1148706510	XYGBBAAZFOMLAF-UHFFFAOYSA-N	370.409	2.189	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(Cn2ccnn2)c1	1154024388	BMPZBUDMPRTHLG-CYBMUJFWSA-N	352.394	2.099	10	10	FECE	
Cc1cccc(OCCN(C)C(=O)C(=O)N2Cc3cccc(O)c3C2)c1	1330383909	GEVBGMNPPKOQHC-UHFFFAOYSA-N	354.406	2.080	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCCCc1ncn(C)n1	1252301930	HQHAOULJAYPZJG-UHFFFAOYSA-N	356.474	2.190	10	10	FECE	
COC[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)[C@H]1CCCOC1	1262107209	GGZFQMYYGMTMBU-PKOBYXMFSA-N	365.493	2.109	10	10	FECE	
COc1ccc(CNC[C@@H]2C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1	2116205911	OPXIFLOKOIIRPN-MJEQTWJJSA-N	366.458	2.155	10	10	FECE	
CCOCCCN(C[C@H](C)C(=O)OC)C(=O)/C=C/c1ccc(O)c(O)c1	1465195712	RDUFCRWXLOCULL-KGXGESDWSA-N	365.426	2.175	10	10	FECE	
CCN1CCN(C(=O)c2ccc(NC(=O)c3cccc(O)c3O)cc2)CC1	1464596833	NGIWKLDRIRHUMV-UHFFFAOYSA-N	369.421	2.128	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc(-c2nn[nH]n2)cn1	1463807131	JUBIMUOCUWTHGN-UHFFFAOYSA-N	363.425	2.134	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)c2cc3cccn3cn2)N(C)C)cc1	1539234783	GKYVVIATLJGHQW-IBGZPJMESA-N	351.454	2.433	10	10	FECE	
Cn1ncc(Br)c1C(=O)NCc1ccc2cccnc2c1O	1630533204	YJSLWXABKVMWHR-UHFFFAOYSA-N	361.199	2.366	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(N)nc(Cl)c1	1639587744	DHZWEXKRDIVIDC-UHFFFAOYSA-N	363.801	2.228	10	10	FECE	
O=C(NCc1cccc(O)c1O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	1644708442	LECNQSMXTTUEJK-UHFFFAOYSA-N	354.322	2.122	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](c3ccncc3)C3CC3)nc12	1656418443	QRPFGJXAHNXQDC-KRWDZBQOSA-N	367.409	2.248	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCN(C)CC(F)F	1686827171	XKXBOJXTGQSYHU-CQSZACIVSA-N	356.461	2.488	10	10	FECE	
COc1cccc(/C=C2/SC(=S)N(CCN(C)C)C2=O)c1OC	1858596273	ROLXNDWSEMXNFS-JLHYYAGUSA-N	352.481	2.467	10	10	FECE	
CCOC(=O)[C@@H]1CCCN(C(=O)CCNCc2ccc(N(C)C)cc2)C1	1857862817	ICTSILANLJTQNY-QGZVFWFLSA-N	361.486	2.034	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CO)(CNCc2cc(Cl)ccc2O)C1	2023455923	KYOAYLQMIGNLSV-UHFFFAOYSA-N	356.850	2.365	10	10	FECE	
C[C@@H](N(Cc1ccccc1)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C(C)(C)O	2169946081	RBRLEMWBQMNLGY-PBHICJAKSA-N	372.465	2.156	10	10	FECE	
COc1ccc(N2CCO[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c(N)c1	2044731936	VZZZEDLTSDZAMV-AWEZNQCLSA-N	351.447	2.350	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C1	2060611855	ZBHLUUCKYCHQLD-WBMJQRKESA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NCc2ccc(F)c(F)c2O)C1	2063342882	YVXASYYINJHDRS-STQMWFEESA-N	358.385	2.130	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H](N=[N+]=[N-])C1)[C@@H](O)C(C)(C)C	2072691513	ZRXRQUAFNPAYIV-SDDRHHMPSA-N	355.439	2.198	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](N2CCN(Cc3ccc(N)cc3)CC2)C1	2106677495	HVRYKOGCQAWFSS-SFHVURJKSA-N	360.502	2.396	10	10	FECE	
COCC1(C(=O)N(C)CCCN=[N+]=[N-])CC(NC(=O)OC(C)(C)C)C1	2218243088	SGCCPGIVBSKTNO-UHFFFAOYSA-N	355.439	2.465	10	10	FECE	
CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1	2297578613	MFTPOHLXOKEPSB-UHFFFAOYSA-N	352.346	2.457	10	10	FECE	
NS(=O)(=O)c1ccc2c(c1)CCN2CC=Cc1ccccc1[N+](=O)[O-]	2302452823	XRKZZAPEWGTMAN-UHFFFAOYSA-N	359.407	2.318	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]1(Oc2ccc(N)cc2)CCCS(=O)(=O)C1	2319664462	LWWPCSBSSUEBGS-KRWDZBQOSA-N	370.471	2.120	10	10	FECE	
C[C@@H]1C[C@H](C(=O)N2CCc3cc(O)c(O)cc3C2)N1C(=O)OC(C)(C)C	2341194523	UYIHQCAQJCCLPR-BXUZGUMPSA-N	362.426	2.380	10	10	FECE	
C[C@@H](NC(=O)Cn1nnc2ccccc21)c1ccc(N2CCOCC2)cc1	68512683	IYKLYMBNERJSNT-OAHLLOKOSA-N	365.437	2.145	10	10	FECE	
CC(=O)Oc1ccccc1/C=C1/SC(=S)N(CCC(=O)O)C1=O	210659032	SIKNKMPBUSOILB-XYOKQWHBSA-N	351.405	2.288	10	10	FECE	
CCn1cc([C@H]2CN(C(=O)NCc3ccc(N(C)C)cc3)CCO2)cn1	190549797	WCZYBHCXWQMYJB-GOSISDBHSA-N	357.458	2.252	10	10	FECE	
CN(CCCCO)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	276341341	HDZCQVCEBSGOIG-UHFFFAOYSA-N	366.417	2.105	10	10	FECE	
C[C@@H]1C[C@@H](S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCO1	295439753	DNMVCAIUQYMGDZ-PVAVHDDUSA-N	369.483	2.271	10	10	FECE	
CC(=O)C(=O)COC(=O)c1n[nH]c(-c2ccccc2)c1Br	808527555	JOKMAEJRJMRBCP-UHFFFAOYSA-N	351.156	2.154	10	10	FECE	
O[C@H](COc1ccc(N2CCCCC2)c(Cl)c1)CN1CCOCC1	817571314	PKHRJWJVTGIBMZ-HNNXBMFYSA-N	354.878	2.402	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1	2132402779	FGQKQELHRMIERS-WDEREUQCSA-N	366.414	2.179	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3CCO[C@]4(CCSC4)C3)ccc21	826019457	FUDXZOZEEVVTPS-LJQANCHMSA-N	361.511	2.487	10	10	FECE	
Cc1cc(C(=O)CN2CC[C@]3(CNC(=O)C3)C2)c(C)n1-c1ccc(F)cn1	829321943	LVQOHGBJRQOYJG-FQEVSTJZSA-N	370.428	2.023	10	10	FECE	
Nc1ccc(Cc2nc(C(=O)N3CCN(CC(F)F)CC3)cs2)cc1	827930253	ISKPBFRQYLCIJE-UHFFFAOYSA-N	366.437	2.339	10	10	FECE	
Cc1cc(Cl)cc(CNC[C@H](N2CCNCC2)C(F)(F)F)c1O	841070194	LWDIGLNPXCNXFV-ZDUSSCGKSA-N	351.800	2.280	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)Nc2nnc(OC)s2)cc1	844640440	HWUZPCNXLKDZOZ-UHFFFAOYSA-N	351.432	2.155	10	10	FECE	
CC(=O)N[C@H](CC(=O)OCC(=O)c1ccc(O)c(O)c1)c1ccccc1	916594866	RRWNJPCHYQQBQD-OAHLLOKOSA-N	357.362	2.091	10	10	FECE	
C[C@H](NC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1)c1ccc(N(C)C)cc1	849574869	ARUHOXIXRWOTIL-YSSFQJQWSA-N	369.513	2.399	10	10	FECE	
CN[C@@H]1CCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1	843344434	CKWYPUSLHWZUCY-OAHLLOKOSA-N	355.438	2.299	10	10	FECE	
CCO[C@@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1CN	844903745	MIRSVTDEOITZJE-VQIMIIECSA-N	362.474	2.381	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3CCNC[C@@H]3c3cccnc3)ccc21	841759439	NWUFLQKYQHZIET-HXUWFJFHSA-N	365.481	2.320	10	10	FECE	
C[C@@H](NC(=O)N[C@H](Cc1cncs1)C(=O)O)c1ccc(N(C)C)cc1	929046495	WCLVTOPYUOZXBY-IAQYHMDHSA-N	362.455	2.265	10	10	FECE	
O=C(O)[C@H]1CC[C@@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1	840942582	IFMKMQRBRHHIIY-SJORKVTESA-N	360.454	2.012	10	10	FECE	
COc1ccc(N2CC[C@H](Nc3ncnc4c3NC(=O)CS4)C2)cc1	853758628	ITCOLYJHIQKQRT-NSHDSACASA-N	357.439	2.220	10	10	FECE	
Cc1cnn(C)c1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	850366552	CHRMHQIUBJOAMC-UHFFFAOYSA-N	369.469	2.220	10	10	FECE	
COc1ccc(N2CC[C@H](Nc3cc(N4CCOCC4)ncn3)C2)cc1	853759067	OONZWHDZVVQQRO-HNNXBMFYSA-N	355.442	2.013	10	10	FECE	
CC[C@H]1C[C@@H](CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCO1	850356207	QDYREEHCEYJJJX-HKUYNNGSSA-N	366.527	2.216	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)cc1	855228915	HSNUFLDPSPJFSN-HOTGVXAUSA-N	371.481	2.181	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCC[S@](=O)CC(F)(F)F	852463924	ZBLIZMDWIXETSR-DEOSSOPVSA-N	365.421	2.205	10	10	FECE	
COC1(CS(=O)(=O)NCc2cccc(Br)c2O)CCC1	867194613	AHFKFBCBXIFTRJ-UHFFFAOYSA-N	364.261	2.143	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](CC)[C@H]1CCCOC1	898459812	SAVZAPPGASQENW-DLBZAZTESA-N	362.470	2.452	10	10	FECE	
C[C@H](NC(=O)[C@@H]1CCOC[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O	1877573386	KHUZZDGWNREHCN-NWANDNLSSA-N	364.442	2.499	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC1CCC2(CC1)COC2	898521579	FPWBUMGWBOOXIC-UHFFFAOYSA-N	373.497	2.177	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cccc(O)c3)cc2)C1	780903235	IIWXFWXZRGGANL-INIZCTEOSA-N	353.422	2.024	10	10	FECE	
C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[C@@H]1NC(=O)OC(C)(C)C	1147735622	UZUOFEHXNZGGJI-OCCSQVGLSA-N	364.442	2.402	10	10	FECE	
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1	1157711183	AEJNRDBNARGZMM-CZUORRHYSA-N	357.406	2.177	10	10	FECE	
Cc1ccc(C(=O)N2[C@H](CO)CC[C@H]2CO)cc1-n1c(C)cc(C=O)c1C	1627687521	NVTLDPAHRZSGTO-OALUTQOASA-N	370.449	2.173	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1	1558534905	ZNDKBDZZTNRMEM-CQSZACIVSA-N	372.396	2.406	10	10	FECE	
CC(C)n1ncc2cc(/C=C/C(=O)NCc3c(O)cccc3O)c(=O)[nH]c21	1635843171	HVLAPIKACNIJQN-VOTSOKGWSA-N	368.393	2.046	10	10	FECE	
Cc1ccc(C(=O)N[C@H](CO)[C@H]2CCOC2)cc1-n1c(C)cc(C=O)c1C	1567035291	HYVXEUFMOJXBQO-PKOBYXMFSA-N	370.449	2.342	10	10	FECE	
CCN(CC)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)OC)cc1	1746089682	FYDBBOHPLVCVMY-INIZCTEOSA-N	372.473	2.121	10	10	FECE	
COCCN1CCC[C@H]1CN[C@H](C)c1ccc(N2CCC(O)CC2)cc1	163276950	AFORNORYULNKGC-XLIONFOSSA-N	361.530	2.409	10	10	FECE	
CN1CCN([C@@H]2CCCCN(C(=O)NCc3ccc(N(C)C)cc3)C2)CC1	155820462	OPDNLAVMABMWPO-HXUWFJFHSA-N	373.545	2.064	10	10	FECE	
CCOCCN1CCN(C(=O)NCCCSc2nccs2)C[C@H]1C	154605598	DOGYEVJROMPLIZ-CQSZACIVSA-N	372.560	2.378	10	10	FECE	
COc1ccccc1OCC(=O)N[C@@H]1CCCN(Cc2ccc(N)cc2)C1	586062324	XYJXEAUZSDKPBD-GOSISDBHSA-N	369.465	2.437	10	10	FECE	
C[C@@H]1N(C(=O)OC(C)(C)C)C[C@]1(O)[C@@H](N)c1ccc2c(c1)CCCN2C	1887683375	INDAFYLTVFWDGY-QKMWGZLOSA-N	361.486	2.439	10	10	FECE	
COc1cc(Cl)cc(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1O	2062452871	ZKDRJEKQHHDNSP-OLZOCXBDSA-N	372.849	2.124	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CN(CC(=O)Nc2ccc(N)cc2)CC1(C)C	2106670375	ATDKJJTWMNIJSU-HNNXBMFYSA-N	362.474	2.442	10	10	FECE	
COc1cc(N)c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)cc1OC	2106884025	WVGVKLMLVIQHRS-GFCCVEGCSA-N	367.446	2.016	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)NCCCCN=[N+]=[N-])[C@H](O)C(F)(F)F	2254150279	KTJAAMVQWWIFRC-BDAKNGLRSA-N	369.344	2.010	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@H]4C[C@@]4(CN)C3)ccc(N)c2C1	2272655022	LRNARXNISZZZKF-ZUOKHONESA-N	358.486	2.347	10	10	FECE	
CSCC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccccn2)SC1=S	2297469803	ZOTRGBRZFLKMPB-JTQLQIEISA-N	354.478	2.489	10	10	FECE	
O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNNc1cccc(Cl)c1	2297512191	HPMXMFXKLGGNMM-UHFFFAOYSA-N	356.769	2.423	10	10	FECE	
COc1cccc(C=C2SC(=S)N(CCNC(C)=O)C2=O)c1OC	2323719886	NJTGEXJJFIIMSC-UHFFFAOYSA-N	366.464	2.041	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])CO1	2312333955	HITGUMZWTYGBAO-QNWHQSFQSA-N	353.423	2.358	10	10	FECE	
CN(C)CCOC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S	6001132	KMBMOCFNVLMFES-WYMLVPIESA-N	364.492	2.383	10	10	FECE	
COc1ccc(O)c(CNS(=O)(=O)c2c(Cl)nc3ccccn23)c1	119842562	VDKIJYVFEIVFSU-UHFFFAOYSA-N	367.814	2.180	10	10	FECE	
C[C@@H](NCCS(=O)(=O)C(C)(C)C)c1ccc(N2CCOCC2)cc1	89627898	ORAHRJDLRLOFEU-OAHLLOKOSA-N	354.516	2.387	10	10	FECE	
C[C@H]1CN(Cc2cccc(Br)c2O)C[C@H]1N1CCOCC1	245784939	VABBIJHXLARSKF-SWLSCSKDSA-N	355.276	2.307	10	10	FECE	
CCOC(=O)C(C)(C)n1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)cn1	272583222	FDCXZVUWYAAYGX-SOFGYWHQSA-N	359.382	2.244	10	10	FECE	
CCOc1ccc(O)c(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)c1	295866629	ABCWFXYKFUKCRF-UHFFFAOYSA-N	358.398	2.416	10	10	FECE	
C[C@H](NC(=O)c1ccoc1)C(=O)NCc1cc(Br)ccc1O	804737873	SBRUKUUUGZDQAZ-VIFPVBQESA-N	367.199	2.182	10	10	FECE	
COc1ccc(CC(=O)NCc2cc(Br)ccc2O)nc1	804733482	QQAXFSNGQFBCGE-UHFFFAOYSA-N	351.200	2.417	10	10	FECE	
CCO[C@@H]1C[C@H](NC(=O)NCc2cc(Br)ccc2O)[C@H]1OC	805311834	ZUTYHOIYGIYTPR-IACUBPJLSA-N	373.247	2.146	10	10	FECE	
CS(=O)(=O)N1CCCC[C@@H]1CNCc1cc(Cl)cc(F)c1O	809710062	MIDFSVRBOKQMGW-GFCCVEGCSA-N	350.843	2.088	10	10	FECE	
COC(=O)/C=C/c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)o1	823296574	XJHJFOITJFGMOR-VQHVLOKHSA-N	370.405	2.232	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@]12CCN(C(=O)c1cc(O)c(O)c(O)c1)C2	2132403631	LGJDGWILOJDSNW-SFHVURJKSA-N	364.398	2.029	10	10	FECE	
O=Cc1c(Br)nc2n1CCO/C2=C/c1cnn(CCF)c1	901575171	MQCXQOGDCFBKGM-VZUCSPMQSA-N	355.167	2.152	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@]1(C)C[C@@H](O)CN1C(=O)OC(C)(C)C	901052398	IYIJYBKVSUVUFW-KUHUBIRLSA-N	364.442	2.111	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@H]1C[C@H]1C(F)(F)F	838020748	PXWJAKFVVPVBSH-ZIAGYGMSSA-N	358.360	2.453	10	10	FECE	
CCC1CCN(S(=O)(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	849417440	QZQVTKQWFMKRIY-MRXNPFEDSA-N	367.515	2.230	10	10	FECE	
O=C1CC[C@@H](C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1	843847201	ZMWYGNFOWSZPAE-GOSISDBHSA-N	355.482	2.204	10	10	FECE	
O=C(NCc1cncc(O)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	927804000	SXZWFGUGKSSQGB-KRWDZBQOSA-N	357.410	2.384	10	10	FECE	
COC(=O)[C@@H]1C[C@@H]1[C@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1	850073186	XNGDCPYNSZLLSR-APHBMKBZSA-N	350.434	2.074	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3O)C2)cc1	855233954	PWJCKGSJACHGSD-GFCCVEGCSA-N	357.366	2.318	10	10	FECE	
COCCNC(=O)c1ccc(N[C@@H]2CCN(c3ccc(OC)cc3)C2)nc1	853758622	IMIPSGQGFRGJFU-MRXNPFEDSA-N	370.453	2.157	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3c4ccccc4C[C@@H]3O)C2)cc1	854301453	POVPUSKZFDLUHV-UIAACRFSSA-N	367.449	2.231	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc4c(N)ncnc4c3)C2)cc1	855225846	MTMUCJDRHDBZSC-CQSZACIVSA-N	363.421	2.229	10	10	FECE	
CO[C@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCOC1	850484864	SIYDKEINYFHQMI-IDHHARJASA-N	352.450	2.364	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)cc1	855228919	HSNUFLDPSPJFSN-JKSUJKDBSA-N	371.481	2.181	10	10	FECE	
CC(C)[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CCN1C	868130926	VUFMLQAFXUCFFS-LJQANCHMSA-N	360.502	2.005	10	10	FECE	
CC(C)N1CC(=O)N(Cc2ccc(N3CCN(CC4CC4)CC3)cc2)C1=O	761928349	JUIMRMJIEVFJPD-UHFFFAOYSA-N	370.497	2.391	10	10	FECE	
CC(C)C[C@H](C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	765393888	WUCUOHFLYNJLES-HNNXBMFYSA-N	352.500	2.220	10	10	FECE	
CN(Cc1cccs1)c1ccc(CN2CCO[C@H](CC(N)=O)C2)cc1	862535691	WJQRZIIUSCZGKG-QGZVFWFLSA-N	359.495	2.461	10	10	FECE	
Cn1ncc(C(F)(F)F)c1S(=O)(=O)NCc1cc(Cl)ccc1O	867463506	MKVVZGCJQDNSRB-UHFFFAOYSA-N	369.752	2.276	10	10	FECE	
COc1ccc(-n2cc(CNC(=O)/C=C\c3ccc(O)c(O)c3)nn2)cc1	779527413	LDEXIEPUSIFILP-OQFOIZHKSA-N	366.377	2.017	10	10	FECE	
COc1cc(O)c(CN[C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)cc1OC	787323791	QQAIROURBDPSGQ-WLRWDXFRSA-N	361.394	2.350	10	10	FECE	
O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cc2cc(O)c(O)cc2s1	896980221	VANAJFXBXNEILI-CYBMUJFWSA-N	362.451	2.296	10	10	FECE	
CN1CCc2cc([C@H](CN)N3CC[C@@H]3CNC(=O)OC(C)(C)C)ccc21	1881000756	CWJVIXQJTXQIEK-AEFFLSMTSA-N	360.502	2.278	10	10	FECE	
Oc1ccccc1CN(Cc1ccco1)c1nnnn1C[C@H]1CCCO1	1335350795	CLRSAEACMYUEJL-MRXNPFEDSA-N	355.398	2.358	10	10	FECE	
C[C@@H](NC(=O)C(=O)N[C@@H]1CCC[C@]12CCCO2)c1ccc(N(C)C)cc1	1353702284	QADJOYNOIPHAQZ-ZTQAJYAQSA-N	359.470	2.148	10	10	FECE	
Cc1cccc2c1N(C(=O)C1=CC=CN3CCS(=O)(=O)N=C13)CC[C@@H]2C	1523366329	GTWZBYPPPBRCQF-ZDUSSCGKSA-N	371.462	2.333	10	10	FECE	
Cc1nn(-c2cccnc2)nc1C(=O)NCc1c(O)ccc2c1CCCC2	1465953917	KRPZXHORDQVZAN-UHFFFAOYSA-N	363.421	2.485	10	10	FECE	
Cc1ccc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)c(O)c1O	1469430640	MINDFVPIWKKFDO-INIZCTEOSA-N	350.378	2.312	10	10	FECE	
CC(C)(O)CN1CCc2c(cccc2NC(=O)Cc2ccc(O)c(O)c2)C1	1611450558	HQHRIJMBYZVHLU-UHFFFAOYSA-N	370.449	2.408	10	10	FECE	
COc1ccc(CNC(=O)c2cc(C(=O)OC(C)(C)C)nn2C)c(O)c1	1635042950	XOJQGZRVGUQICI-UHFFFAOYSA-N	361.398	2.020	10	10	FECE	
CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@H](C)NC(=O)c1cc(OC)nc(OC)c1	1572297063	FITXDBMJRRVAIP-GZBFAFLISA-N	363.458	2.112	10	10	FECE	
C[C@@H](C(=O)NCC1(CN=[N+]=[N-])CC1)N1CCN(C(=O)OC(C)(C)C)CC1	2124513964	RXMGEBMLRAGFTM-ZDUSSCGKSA-N	366.466	2.134	10	10	FECE	
CC(C)c1nnc(N(C)Cc2ccccc2O)n1CC(=O)NCC1CC1	1760897365	ZPBRJZAEODRPQZ-UHFFFAOYSA-N	357.458	2.270	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)NC[C@@H](O)C3CCCCC3)cc2)CC1	1683699179	UWAZMUMECNIGEG-HXUWFJFHSA-N	374.529	2.179	10	10	FECE	
COc1ccc(CNC(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1	1687838639	XRNQJILNGVFASV-JOCQHMNTSA-N	365.430	2.256	10	10	FECE	
COc1ccc(CNC[C@H]2CCN2C2CCOCC2)cc1Cn1cccn1	922956511	UZMOXMVHKAUHMM-HXUWFJFHSA-N	370.497	2.283	10	10	FECE	
CC(C)CNC(=O)COc1cccnc1NC(=O)Oc1ccc(N)cc1	1858688174	LROCAEMZTFRNPA-UHFFFAOYSA-N	358.398	2.426	10	10	FECE	
CC1CC(NC(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1	2136262371	TYLKARNPSZAMBY-UBHUBRDASA-N	364.442	2.448	10	10	FECE	
Cc1cccc(CNC(=O)C[C@H]2COCCN2C(=O)OC(C)(C)C)c1O	2139741765	PBNXYGKVEGDQMM-HNNXBMFYSA-N	364.442	2.343	10	10	FECE	
CO[C@H]([C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C(C)(C)O	1951994192	UNEMRXUDKFDXQF-IUODEOHRSA-N	355.431	2.320	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CN[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O	1974155890	CMDBMGRIGLCREY-MZUVWLFZSA-N	362.651	2.028	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)[C@H](CNCc2ccc3c(c2)CCN3C)C1	2154513739	VWGQHKMYLDGHMW-GOSISDBHSA-N	374.529	2.320	10	10	FECE	
CS(=O)(=O)C[C@@H]1CCCN(c2ccc(CN)cc2Br)C1	312863393	SFSSLLCAXMFPCM-GFCCVEGCSA-N	361.305	2.169	10	10	FECE	
C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2060640193	QTPYFLJZJBVUHY-UPJWGTAASA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2073245292	GQBJZMXVSXZLFQ-OLZOCXBDSA-N	355.439	2.201	10	10	FECE	
CC(C)(C)OC(=O)NCC[C@H]1CCN(C(=O)COc2ccc(N)cc2)C1	2106699684	PGHUNVSANWIBCN-AWEZNQCLSA-N	363.458	2.411	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)COc2ccc(N)cc2)C1	2106781479	IHKDGRZHVRKVJA-UKRRQHHQSA-N	363.458	2.409	10	10	FECE	
CN(Cc1ccccc1O)Cc1nn(C)cc1I	2208455615	KXADBARLJRHROH-UHFFFAOYSA-N	357.195	2.362	10	10	FECE	
C[C@@H]1COC[C@H](C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])N1C(=O)OC(C)(C)C	2218736885	CEPBDWTVNYCBCK-FVCCEPFGSA-N	353.423	2.358	10	10	FECE	
C[C@@H](CNCc1cccc(O)c1O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1	2230089423	AFVOZKDOOYVNPJ-DJJJIMSYSA-N	366.458	2.195	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](O)C1(C)C	2315986786	IKPKDPLPFRGCMP-BDJLRTHQSA-N	355.439	2.200	10	10	FECE	
CC(C)CN1C(=O)C(=Cc2ccc(OCC(N)=O)cc2)SC1=S	2331594777	ADIXTSMNENJTMZ-UHFFFAOYSA-N	350.465	2.408	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CCO[C@H]2C[C@@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2331228178	LLLQKKVXEMIPGU-RQJABVFESA-N	365.434	2.455	10	10	FECE	
CO[C@@H]1C[C@@H](NCCc2ccc(O)c(O)c2)CN(C(=O)OC(C)(C)C)C1	2344388624	TWDNXXUQQFTLQG-HUUCEWRRSA-N	366.458	2.254	10	10	FECE	
CO[C@@H]1C[C@H](NCCc2ccc(O)c(O)c2)CN(C(=O)OC(C)(C)C)C1	2344388625	TWDNXXUQQFTLQG-LSDHHAIUSA-N	366.458	2.254	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	109986644	YFRRHYVLGMVQBJ-CYBMUJFWSA-N	373.365	2.157	10	10	FECE	
NCc1cc(I)cc(I)c1O	29220524	BHHJBHFNWNSUOJ-UHFFFAOYSA-N	374.947	2.060	10	10	FECE	
CC[C@H]1CN(Cc2cc(Br)ccc2O)CCN1C[C@@H](C)O	120677266	YIJXORRZPWBCGR-DOMZBBRYSA-N	357.292	2.432	10	10	FECE	
CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	274260754	YHKKSCNPHXWDEH-SCRDCRAPSA-N	366.483	2.093	10	10	FECE	
COc1ccc(N2CCC(N[C@H](CO)C[C@H](O)C(C)(C)C)CC2)cc1	375267156	OTAXGMBFQOHAMQ-LPHOPBHVSA-N	350.503	2.412	10	10	FECE	
C[C@@H](NC(=O)c1cc2c(cn1)OCCO2)c1ccc(N2CCOCC2)cc1	819166666	ZWKCHOIETSHIBN-CQSZACIVSA-N	369.421	2.180	10	10	FECE	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cnc(OC)c(Cl)c2)c1	827194793	QJBUYFVLQJBRTL-VIFPVBQESA-N	372.830	2.497	10	10	FECE	
Cc1cc(CC(=O)NCCN2CCOC[C@H]2C)c(C)n1-c1ccccc1	826135443	JMTROWUYONUEAW-QGZVFWFLSA-N	355.482	2.474	10	10	FECE	
COc1ccccc1CN1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	588404140	QGQNNAXEGIUACI-CLFYSBASSA-N	368.433	2.464	10	10	FECE	
Cc1cc(CC(=O)NC[C@H]2CCCS2(=O)=O)c(C)n1-c1ccccc1	830412886	ZILUOHQNYAQWEF-GOSISDBHSA-N	360.479	2.330	10	10	FECE	
COc1ccc(N2CC[C@H](COC(=O)c3cnc4[nH]nnc4c3)C2)cc1	842874423	CUFNWPMJBXKULL-LBPRGKRZSA-N	353.382	2.045	10	10	FECE	
COCC1(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1	848631750	DWVVWQQGNPQRLG-UHFFFAOYSA-N	361.486	2.032	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCC[C@H](CNC(=O)[C@@H]3CCCN3)C2)cc1	843058086	OSAFPVIJJKIUKC-XBZSESSKSA-N	370.541	2.346	10	10	FECE	
COc1ccc(N2CCN(CCNC3CC4(CO[C@H](C)C4)C3)CC2)cc1	924831146	HZYLSXNZHUAEHV-MPQSDHOMSA-N	359.514	2.364	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC1CCC(C(N)=O)CC1	840314325	FBZCKLZNNULHAX-UQPPLGOBSA-N	360.502	2.335	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H](C)Cn1cncn1	858558024	GGNKOXWRCBDKKT-ZDUSSCGKSA-N	351.410	2.317	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H](C)NC(=O)c3cccs3)C2)cc1	855228631	FPNKHGCBXMJNJH-KBPBESRZSA-N	373.478	2.270	10	10	FECE	
COc1ccc(CNS(=O)(=O)C[C@H](OC)c2ccc(F)cc2)c(O)c1	859144619	UNSZMACJEJFENX-KRWDZBQOSA-N	369.414	2.347	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Cn3ccc(C(F)(F)F)n3)C2)cc1	855230163	UGSSBTKOQXEAAS-LBPRGKRZSA-N	368.359	2.306	10	10	FECE	
CC(C)NC(=O)COC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	769665090	OBZJPGOYVMLRDQ-UHFFFAOYSA-N	371.481	2.476	10	10	FECE	
CC(C)(C)n1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1=O	864983944	AXKIVAZAAAQIIS-UHFFFAOYSA-N	369.465	2.370	10	10	FECE	
CN1CCCc2cc(CN3C(=O)N[C@@H](Cc4cncs4)C3=O)ccc21	871893504	YVAAIARASPPLIV-HNNXBMFYSA-N	356.451	2.189	10	10	FECE	
Cc1cc(CCNC(=O)[C@@H](O)Cc2cnn(C)c2)c(C)n1-c1ccccc1	786710352	ZTPVRBWLOCTZFA-FQEVSTJZSA-N	366.465	2.090	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)C(F)(F)C2(O)CCC2)N(C)C)cc1	1158718282	WRZCTDSNXXHFSM-HNNXBMFYSA-N	355.429	2.022	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2ncc(Br)cn2)cc1F	1351738749	QLDCTIPTKDULDA-UHFFFAOYSA-N	353.195	2.374	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCN2CC=CC2)C1	1444513189	XLJGNLZHPVDSDZ-UHFFFAOYSA-N	366.509	2.396	10	10	FECE	
O=C(Cc1csc(NC(=O)c2ccco2)n1)NCc1cccc(O)c1O	1455314032	BJZHDDRMLDSKBL-UHFFFAOYSA-N	373.390	2.259	10	10	FECE	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(=O)cc[nH]1	1620754019	OQYACRFCAIQXJM-LBPRGKRZSA-N	363.364	2.375	10	10	FECE	
COC(=O)[C@H]1C[C@H](O)CN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1	1632077530	CMLVRWNAXTYGMS-IRXDYDNUSA-N	370.449	2.399	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NCc1cc(O)ccc1O	1644754183	QQSDQVHIPVRXTO-CQSZACIVSA-N	350.415	2.360	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]12CC[C@@](C(=O)N3CC[C@H](N=[N+]=[N-])C3)(CO1)C2	2124541138	OYIQUWPTMHXQDK-ZLIFDBKOSA-N	365.434	2.362	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C[C@H]2OCC[C@@H]21	2124503160	IDFTWZSDDAKGLN-ZOBORPQBSA-N	365.434	2.312	10	10	FECE	
COCCCn1c(C)nnc1N1CCCN(c2ccc(OC)cc2)CC1	1769714299	PKGPUUPJMRJSSG-UHFFFAOYSA-N	359.474	2.348	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1Cc1cnn(CCOC)c1	1764722169	ACKBYLFSMLNXFF-UHFFFAOYSA-N	370.457	2.074	10	10	FECE	
CCc1nc2sc([C@@H](c3cc(C)ccc3O)N3CCNCC3)c(O)n2n1	1857925680	WTIHCJKINAOIKP-OAHLLOKOSA-N	373.482	2.067	10	10	FECE	
CN1CCCc2cc([C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)O)ccc21	1917190628	IUZUMGLCYUNKQX-CABCVRRESA-N	350.415	2.080	10	10	FECE	
COC(=O)[C@@]1(NCCN=[N+]=[N-])CN(Cc2ccccc2)C2(CCOCC2)C1	2156282278	XOGSSRSUCLEBSR-IBGZPJMESA-N	373.457	2.253	10	10	FECE	
Nc1cc2c(cc1N1CCCN(Cc3ccccc3)CC1)NC(=O)CO2	323420762	SPTDSHUJOJVOSW-UHFFFAOYSA-N	352.438	2.312	10	10	FECE	
C[C@]12CN3C[C@](c4ccccc4)(CN(C1)C3c1ccc(O)c(O)c1)[C@@H]2O	2059113252	HSIUVDMDRCSOHB-VKEMMKHGSA-N	352.434	2.046	10	10	FECE	
CN(CC[S@](C)(=O)=NC(=O)Cc1ccc(N)cc1)C(=O)OC(C)(C)C	2044646707	SLPGBXSWMRLUBJ-VWLOTQADSA-N	369.487	2.303	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2ccc(O)c(O)c2)C1	2054410985	SSPUHUFOHKXZOV-DGCLKSJQSA-N	350.415	2.473	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2060634312	YBEVJFNYQXIKMQ-FRRDWIJNSA-N	353.423	2.027	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccc(N)cc2)C2(CC2)C1	2106768795	SXQMUQSNQXWIHG-UHFFFAOYSA-N	360.458	2.293	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])CO1	2218742736	HITGUMZWTYGBAO-NDBYEHHHSA-N	353.423	2.358	10	10	FECE	
C[C@@H]1CC[C@H](S(C)(=O)=O)CN1c1ccc(CO)cc1Br	2279400173	FSWONCLIBJUNOV-PWSUYJOCSA-N	362.289	2.343	10	10	FECE	
CN1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)NC1=S	2294216946	SIPPFJUORWOVHG-UHFFFAOYSA-N	357.347	2.111	10	10	FECE	
COc1ccc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	2296382139	MPIRKVPBTCZRSX-UHFFFAOYSA-N	367.317	2.270	10	10	FECE	
Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(C(=O)O)cc3)C2=O)cc1	2297511630	UCKXXZJOGIWWKX-UHFFFAOYSA-N	365.345	2.272	10	10	FECE	
CN(C(=O)c1ccc(O)c(O)c1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F	2320525262	KGDZIASNXQZKGX-NWDGAFQWSA-N	354.378	2.127	10	10	FECE	
NC(=O)c1cc([N+](=O)[O-])cnc1N1CC=C(c2c[nH]c3ncccc23)CC1	507161747	QRODHXKREOXWPC-UHFFFAOYSA-N	364.365	2.259	10	10	FECE	
Nc1ccc(Oc2ccc(NC(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cc1	40166589	XLFRWYKHOALHDO-AWEZNQCLSA-N	361.423	2.370	10	10	FECE	
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(O)c(C)c1	327942949	ITJULUDJSOONDS-UHFFFAOYSA-N	366.351	2.196	10	10	FECE	
COc1ccc(N2CCN(C(=O)NC[C@@H](C)Cn3ccnc3C)CC2)cc1	194875637	UFGVFUZATQZDQY-MRXNPFEDSA-N	371.485	2.368	10	10	FECE	
Cc1cc(Cl)cc(CN[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1O	272456178	XEXJLSQPEMCPBK-GDBMZVCRSA-N	359.875	2.180	10	10	FECE	
CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	274260750	YHKKSCNPHXWDEH-OBJOEFQTSA-N	366.483	2.093	10	10	FECE	
Cc1ccc(CNC2CC3(C2)CS(=O)(=O)C3)c(O)c1Br	2380804296	INAXFENLBCARBQ-UHFFFAOYSA-N	360.273	2.130	10	10	FECE	
O=C(CNC(=O)c1ccccc1)NCc1cc(Br)ccc1O	804736843	BFWVGBLUDUBMRG-UHFFFAOYSA-N	363.211	2.201	10	10	FECE	
Cc1cnc(COCC(=O)NCc2cc(Br)ccc2O)o1	804738635	YDBHKYURIFOJOJ-UHFFFAOYSA-N	355.188	2.284	10	10	FECE	
C[C@@H]1CN(c2cc3c(cc2N)NC(=O)CC3)CC[C@@H]1NC(=O)C(F)(F)F	2163123592	NBODOZBEEHUDBS-SKDRFNHKSA-N	370.375	2.047	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1	822001794	YLNJCRIXDSYHTL-DZGCQCFKSA-N	354.472	2.280	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCN(C(=O)CN3CCCC3)CC2)cc1	835027442	MHOVOOJFOYLJEQ-AATRIKPKSA-N	356.514	2.006	10	10	FECE	
COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc([C@@H](C)OC)c2)c1	734074062	IQPUSDPPHZOQHP-GFCCVEGCSA-N	358.394	2.363	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)Cc3csc(C)n3)C2)cc1	849415648	DDMUPJMFVZGILB-CYBMUJFWSA-N	367.496	2.158	10	10	FECE	
CCn1cnc(S(=O)(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1	841569432	LFZOYBHJEJFVTR-CQSZACIVSA-N	350.488	2.187	10	10	FECE	
Cc1cc(Br)cc(CN2C[C@H](C)N(CCO)C[C@@H]2C)c1O	841891830	PSFPVVYRNONGTB-STQMWFEESA-N	357.292	2.350	10	10	FECE	
COCc1cc(O)ccc1NS(=O)(=O)c1cn2c(n1)CCC[C@H]2C	841677826	VSPGNBSHLUSPGH-LLVKDONJSA-N	351.428	2.433	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCNC[C@H]2c2cccnc2)cc1F	841762406	XGLCMQBJIJDMKE-SFHVURJKSA-N	357.433	2.143	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Cn3c(O)nc4ccccc43)C2)cc1	855231751	LVWJLVXDVJWJLG-CQSZACIVSA-N	366.421	2.146	10	10	FECE	
COc1ccc(CNC(=O)c2cc(C)n(-c3ccn(C)n3)c2C)c(O)c1	857199422	OFLLXAPOMFDWCN-UHFFFAOYSA-N	354.410	2.472	10	10	FECE	
CN(C)c1ccc(/C=C\CN[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1	858252867	VSFZXWOKZKSVMF-XXCOWLKOSA-N	351.516	2.216	10	10	FECE	
C[C@@H]1O[C@H](C)[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@H]1C	858854744	CSULZEMFMAUFIC-ZTENYAIWSA-N	361.486	2.259	10	10	FECE	
C[C@H]1C[C@H]1c1noc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)n1	865909578	VPJYXEWHQIAFAL-SMDDNHRTSA-N	374.416	2.223	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)N[C@@H]1[C@@H]2C[C@@H]3[C@@H]1OC[C@@H]3C2	868909180	FPYCUVJSZYABSH-GRPXYMBPSA-N	367.243	2.377	10	10	FECE	
CCCCn1c(N)c(N(CC)C(=O)/C=C/c2ccc(C)nc2)c(O)nc1=O	779472522	WSMZHIQOULUPJR-MDZDMXLPSA-N	371.441	2.101	10	10	FECE	
CN(C[C@@]1(O)CCc2ccccc21)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	1118187483	PTAUSANNYZFTBP-IBGZPJMESA-N	369.377	2.196	10	10	FECE	
C[C@@H](C[C@@H](C)O)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	783257658	WPJNTZKCINCKON-DLBZAZTESA-N	374.529	2.177	10	10	FECE	
O=C(NCCN=S1(=O)CCCC1)c1cc2cc(O)c(O)cc2s1	898433671	VXQAMYKPWBYACE-UHFFFAOYSA-N	354.453	2.304	10	10	FECE	
Cc1ccn([C@H](C)CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)n1	893607739	KGPUOYVMXDJENY-QGZVFWFLSA-N	355.486	2.211	10	10	FECE	
COc1ccc(CNC(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCCC2)c(O)c1	794389746	CUHCFJSKXDWSLK-IRXDYDNUSA-N	360.454	2.446	10	10	FECE	
CN1CCc2cc([C@@H](CN)N(C)C3CN(C(=O)OC(C)(C)C)C3)ccc21	1881825064	UNGBMQICPFQZQB-GOSISDBHSA-N	360.502	2.230	10	10	FECE	
C[C@H](Cc1ccc(O)cc1)N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1	1330414931	KKURLSYEFRSOFY-CYBMUJFWSA-N	354.406	2.030	10	10	FECE	
COc1cc(C(=O)N[C@@H]2CC[C@H](CNC(=O)CC(C)C)C2)cc(OC)n1	1290086382	GLTCFPVHIUEFCY-DZGCQCFKSA-N	363.458	2.160	10	10	FECE	
CN(C)c1ccc(CNC(=O)[C@]2(N(C)C)COc3ccccc3C2)cc1	1539050426	SBZSDBLYUWQLBC-OAQYLSRUSA-N	353.466	2.304	10	10	FECE	
Cc1ccc(CNC(=O)NCC(=O)NCc2cccc(Cl)c2O)cc1	1472316341	NPPTUAVGOQMLCJ-UHFFFAOYSA-N	361.829	2.470	10	10	FECE	
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCc1cc(O)ccc1O	1558174823	VHBJLYSYDDMHJI-SFHVURJKSA-N	354.406	2.250	10	10	FECE	
CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NCc1c(O)cccc1F	1558455840	ZUIJRBXYGPTJNQ-GFCCVEGCSA-N	356.419	2.458	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)NCCCc3nnnn3C)c2C)c1	1637201039	OCZXIUVSAXVLBZ-UHFFFAOYSA-N	352.442	2.289	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc4cccnn34)CC2)cc1F	1631377078	HILQFDONZZHXJX-UHFFFAOYSA-N	354.385	2.444	10	10	FECE	
Cn1ncc(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])c1CNC(=O)OC(C)(C)C	2124502850	DLGBAQRTFNXOLZ-LLVKDONJSA-N	363.422	2.360	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@H](C)CCN(C)C)cc2F)CC1	1585403933	ORHYEPNBROVLQO-MRXNPFEDSA-N	364.509	2.172	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)N[C@H](CO)C2CCCC2)N(C)C)cc1	1687806624	IYCVNBYDVMDCKT-MOPGFXCFSA-N	362.518	2.206	10	10	FECE	
CC[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CCN1CCOC	155703380	USRFRSGKQSNUGH-LJQANCHMSA-N	372.513	2.315	10	10	FECE	
c1cc(N2CCOCC2)ccc1CNc1ccc(CN2CCOCC2)cn1	156373181	LESLVYSJAIQHSY-UHFFFAOYSA-N	368.481	2.363	10	10	FECE	
CO[C@](C)([C@@H](N)Cc1ccc(O)c(O)c1)[C@H](C)NC(=O)OC(C)(C)C	1953009345	JEEZIFFBMFSLTR-GYOIFBIXSA-N	354.447	2.286	10	10	FECE	
Oc1ccc(CNCC[C@H]2CN(Cc3ccccc3)CCO2)c(O)c1O	311783422	JDLUMKJSAGAUMT-KRWDZBQOSA-N	358.438	2.184	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2c1cc2c(cc1N)OCC(=O)N2	2163112723	DYGCGIBPKWADCF-TXEJJXNPSA-N	374.441	2.188	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@@H]1NCc1ccc(O)cc1O	387929679	LSGZQAGRCPSDOK-SVGFKBNWSA-N	364.442	2.258	10	10	FECE	
C[C@@H](c1ccc(F)cc1O)n1ncc(CN)c1I	2070401551	QEMZLRFXIKKZHZ-ZETCQYMHSA-N	361.158	2.400	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]1(F)CC[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1	2049783024	QALVOASZCOXBIR-JJFYZRJRSA-N	356.438	2.285	10	10	FECE	
C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	2060487334	HNUATTOERRBPFI-ADLMAVQZSA-N	350.415	2.060	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(OCCC(=O)N2CC(N=[N+]=[N-])C2)CC1	2060610143	DVGCTDVHFGHVCF-UHFFFAOYSA-N	353.423	2.314	10	10	FECE	
C[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)c1cc(O)ccc1O	2069356547	RTLQFNRIFOJVET-DJSGYFEHSA-N	352.431	2.119	10	10	FECE	
Nc1ccc(CS(=O)(=O)NCCc2nccn2Cc2ccccc2)cc1	2090026301	CRJPMMUKYZXNRX-UHFFFAOYSA-N	370.478	2.176	10	10	FECE	
CC(C)(C)OC(=O)NC1(COc2nnc(=N)[nH]n2)CCCCCCC1	2219021780	RWBWAIFNVWKJPS-UHFFFAOYSA-N	352.439	2.066	10	10	FECE	
COc1ccc(N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C2)c(F)c1F	2219772156	XYVGAOWZTCGUOU-WDEREUQCSA-N	358.385	2.438	10	10	FECE	
COc1ccc(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c(CCN)c1	2235967626	IQOQMQYSKFOJFQ-FGZHOGPDSA-N	367.493	2.286	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)NCc1ccccc1O)C1CCOCC1	2272566663	QERCAGNHZFWKPM-UHFFFAOYSA-N	364.442	2.425	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(c1cc3c(cc1N)OCCO3)C2	2272654155	AZJYWKPJKPWGRX-BLVKFPJESA-N	361.442	2.391	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2264512026	JNUMOIGQQQOYNH-KGLIPLIRSA-N	367.450	2.296	10	10	FECE	
COc1ccc(OC)c(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)c1	2293131270	ZOSCTIDVCDIABT-UHFFFAOYSA-N	352.346	2.370	10	10	FECE	
COC[C@@]1(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C=CCN1C(=O)OC(C)(C)C	2336339104	WDCSRFNAUIGWQT-CXAGYDPISA-N	365.434	2.480	10	10	FECE	
C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1nnnn1-c1ccccc1	115862488	QXJIOTSWXHRFKZ-CYBMUJFWSA-N	352.398	2.271	10	10	FECE	
O=C1CN(c2ccc(CNC(=O)[C@H]3C[C@H]3c3ccccc3F)cc2)CCN1	106263476	DZJSEVORSDQROB-ROUUACIJSA-N	367.424	2.182	10	10	FECE	
CNc1cc(N2CCC[C@@H]2CNCc2ccc3c(c2)CCN3C)ncn1	122295977	VIRQZSLYUDZRRT-QGZVFWFLSA-N	352.486	2.269	10	10	FECE	
NS(=O)(=O)CCCCCCNCc1cc(Br)ccc1O	2364239121	JNOQGXOTDJAYPE-UHFFFAOYSA-N	365.293	2.093	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)OCC(=O)N1CCCCCC1	254943217	YQPCKMQNNAHZKI-YFHOEESVSA-N	372.465	2.482	10	10	FECE	
Cn1cc(CCCNC(=O)NCc2cc(Br)ccc2O)cn1	805053047	FJMRPCHUTASECB-UHFFFAOYSA-N	367.247	2.320	10	10	FECE	
O=S(=O)(CCOCC1CC1)NCc1cc(Br)ccc1O	819881290	HYCTXXLCKLDFGK-UHFFFAOYSA-N	364.261	2.001	10	10	FECE	
Cc1cccc(CNC(=O)C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)n1	817503949	LWJKWMCFVDSOHV-MRXNPFEDSA-N	368.481	2.128	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCO[C@H]1C1CC1	906740509	XGIHDEQMFHPROR-UXHICEINSA-N	358.482	2.327	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@@H]1CNc2ccccc2C1)c1ccc(N(C)C)cc1	846342770	HCGKESSWHABYDE-YOEHRIQHSA-N	366.465	2.083	10	10	FECE	
Cc1ccc(O)c(CNC(=O)[C@]2(C)C[C@@H](O)CN2C(=O)OC(C)(C)C)c1	913000446	JUUFCDNMMAQCIC-KUHUBIRLSA-N	364.442	2.077	10	10	FECE	
COC1(C[C@@H]2NC(=O)N(Cc3ccc(N4CC=CC4)cc3)C2=O)CCC1	844715752	FVYNFTMNSZJFNN-KRWDZBQOSA-N	355.438	2.442	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC2(CC(N)=O)CCC2)cc1	859973862	AJQJQBWMDZEHOV-UHFFFAOYSA-N	367.449	2.363	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC[C@@]2(O)CCOC2)c1	862128494	HGWWWVZFJLWRBC-HXUWFJFHSA-N	356.422	2.178	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N1C[C@H]2[C@H]3CC[C@@H](NC3)[C@H]2C1	861557568	QWDQXCVLOHPVBB-FRYIKTPZSA-N	354.498	2.426	10	10	FECE	
CC(C)(C)C(=O)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	769165007	NSJVNTYSGPLCSP-UHFFFAOYSA-N	357.498	2.450	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCN(C2CCOCC2)CC1	896826967	HENYWHLKDKAWSX-UHFFFAOYSA-N	362.451	2.249	10	10	FECE	
CC1(C)CN(CCNC(=O)c2cc3cc(O)c(O)cc3s2)CCO1	896049880	PJQBMXUJLVMKFD-UHFFFAOYSA-N	350.440	2.153	10	10	FECE	
C[C@@H]1NC(C(=O)NCc2cccc(Cl)c2O)=NN(c2ccccc2)C1=O	1305069744	NALRRUMWRPKONQ-NSHDSACASA-N	372.812	2.000	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)NC3CC(C)(C)C3)CC2)cc1	1328897006	YVOBNQMZSZRHHK-UHFFFAOYSA-N	359.470	2.085	10	10	FECE	
O=C(O)[C@@H]1CN(Cc2cc(Br)cc(F)c2O)CCS1	715787699	KASWUQOARPZECO-JTQLQIEISA-N	350.209	2.296	10	10	FECE	
O=C(C(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1)N1Cc2cccc(O)c2C1	1332073523	FLAAIXHEIWUARJ-QAPCUYQASA-N	358.438	2.042	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@]1([C@@H]2CCCCO2)CCCO1	1347384665	OUEIGDXIAOVXBO-PZJWPPBQSA-N	374.481	2.258	10	10	FECE	
COC[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1O	1504573567	VFQHXCWNTKMCRN-AWEZNQCLSA-N	370.457	2.303	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)CNC(=O)c1cccc(O)c1	1440716345	WEPZRSISJKRQAX-UHFFFAOYSA-N	367.449	2.381	10	10	FECE	
C[C@H](NC(=O)[C@@H]1CN(C(=O)C(C)(C)C)CCO1)c1ccc(N(C)C)cc1	1523203332	XEOMFYHUWNFHKP-YOEHRIQHSA-N	361.486	2.203	10	10	FECE	
C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1	1644034730	XOYPVPYZPRNBRT-AWEZNQCLSA-N	371.319	2.132	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1cccc(NC(=O)[C@H]2CCCO2)c1	1645360710	FZESQPYQSOMSBW-QGZVFWFLSA-N	356.378	2.145	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCCC[C@@H]2c2ncccn2)cc1	1654682920	MVLWLZDOHUHFDE-GOSISDBHSA-N	353.470	2.386	10	10	FECE	
COc1ccc(CN[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2cncn2C)cc1C	1662340841	SCKLYDAMPYVGGA-DJIMGWMZSA-N	356.470	2.135	10	10	FECE	
COc1ccc(Br)c(CNC[C@](C)(O)CSC)c1O	1964568328	MUVYLSVEHIMRLE-ZDUSSCGKSA-N	350.278	2.367	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)cc2)CC1	1684973118	HCYYJHUGTBJXJX-GBESFXJTSA-N	354.498	2.450	10	10	FECE	
Cc1c(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)n(C)c2cc(Cl)ccc12	1858178087	IZAQSSQYRNJVCD-LBPRGKRZSA-N	354.859	2.399	10	10	FECE	
CN[C@H](c1ccccc1O)[C@@](O)(CCCNC(=O)OC(C)(C)C)COC	1920623951	JIIYVOUNIUESGZ-VQIMIIECSA-N	368.474	2.335	10	10	FECE	
C[C@@H]1CC[C@@H]([C@@H](NC(=O)OC(C)(C)C)C(=O)NCc2ccccc2O)O1	1969154220	JZJXEFFVZAYOFO-UHOFOFEASA-N	364.442	2.469	10	10	FECE	
O=C(O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1c1ccc(O)c(O)c1O	1951666263	WCQDVZKNNMMYNO-KGLIPLIRSA-N	373.361	2.240	10	10	FECE	
CN1CCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1=O	312590328	UZIZVLSXHSQRFJ-UHFFFAOYSA-N	374.485	2.231	10	10	FECE	
CN(CCOCc1ccccc1)S(=O)(=O)CCOc1ccc(N)cc1	383944066	PIZUVUNTFLXIGR-UHFFFAOYSA-N	364.467	2.126	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)CN(CCO)C(=O)OC(C)(C)C	2060127780	MKTYRSLCASSFKJ-CYBMUJFWSA-N	352.431	2.141	10	10	FECE	
[N-]=[N+]=NCCN[C@@]1(C(=O)O)CN(Cc2ccccc2)C2(CCOCC2)C1	2100055715	PFBFKHYXCLMLAI-GOSISDBHSA-N	359.430	2.165	10	10	FECE	
COc1ccc(N2C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC	2219643029	MUOINFQVZKETLS-OCCSQVGLSA-N	352.431	2.168	10	10	FECE	
COc1ccccc1C=C1SC(=S)N(CN2CCN(C)CC2)C1=O	2297578519	KMHWWHVJVSRVBX-UHFFFAOYSA-N	363.508	2.101	10	10	FECE	
Cc1nn(C)c(C)c1NC=C1C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O	2313548323	SEPVCGGEAWXDNE-UHFFFAOYSA-N	373.800	2.269	10	10	FECE	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(O)c([N+](=O)[O-])c1	2313557567	GOHBDGNRERGTGK-UHFFFAOYSA-N	371.280	2.106	10	10	FECE	
CN(C(=O)c1ccc(O)c(O)c1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F	2320525261	KGDZIASNXQZKGX-NEPJUHHUSA-N	354.378	2.127	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])C[C@H](O)C1(C)C	2333612099	FGKJTQKYPBJQLT-JJHQXXDFSA-N	367.450	2.388	10	10	FECE	
COc1ccc(N2CCN(C=O)CC2)cc1NC(=O)c1ccccc1F	62192129	ZGCLMILGSGQUIJ-UHFFFAOYSA-N	357.385	2.365	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3CCC[C@@H]4OCC[C@@H]43)CC2)cc1	177631206	ZPGWIIHVCYAJGO-QRVBRYPASA-N	359.470	2.484	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N[C@H]3CCC(=O)N(C)C3)cc2)CC1	126165864	ZEUKHGMSAOBBLJ-KRWDZBQOSA-N	358.486	2.343	10	10	FECE	
C[C@@H](Nc1cccc(C(=O)NCCC(N)=O)c1)c1ccc(F)c(F)c1O	187898792	BMMKUIMTCQXYIU-SNVBAGLBSA-N	363.364	2.449	10	10	FECE	
Cc1cc(Cl)cc(CNCc2ccc(S(=O)(=O)CCO)cc2)c1O	191836717	RCAWEKQXQKUKPN-UHFFFAOYSA-N	369.870	2.410	10	10	FECE	
O[C@@H](C[C@@H]1COCCN1Cc1ccc(N2CCOCC2)cc1)c1ccco1	92040285	XNGGHZGQDFOZIU-UXHICEINSA-N	372.465	2.441	10	10	FECE	
CCN1CCN(C(=O)/C=C\c2cncc(C(=O)NC)c2)c2ccccc21	255195720	XYEXMMMXVJZYMZ-HJWRWDBZSA-N	350.422	2.328	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)N3CC(n4ccnn4)C3)ccc21	368603632	RNKJXKSHDUZKFL-UHFFFAOYSA-N	353.426	2.193	10	10	FECE	
COCc1ccccc1CS(=O)(=O)NCc1cc(OC)ccc1O	805012094	ZGTBOYOOQYHJBZ-UHFFFAOYSA-N	351.424	2.167	10	10	FECE	
C[C@@H](NC(=O)C(=O)N1CCC[C@H](OC(F)F)C1)c1ccc(N(C)C)cc1	807674208	IFVHKMCFEWOEIA-DOMZBBRYSA-N	369.412	2.160	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CCc4c(F)ccc(F)c43)nc12	815128635	ISRXDBHBJZABFY-UHFFFAOYSA-N	374.347	2.453	10	10	FECE	
CCNC(=O)c1ccc(NC[C@@H]2CCN(c3ccc(OC)cc3)C2)nn1	819935081	JZBRLEGTCBRPNC-AWEZNQCLSA-N	355.442	2.173	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CC[C@@H]4C[C@H]4C3)cc2)C1	817428409	KUPURWHWDHJLEL-TVFCKZIOSA-N	355.482	2.441	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)CC1	2132399168	CUNCGNHRXSMLDB-TXEJJXNPSA-N	366.414	2.369	10	10	FECE	
Cc1cc(O)c(CNC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1Cl	825325161	BQEOZUPRUYZJSD-PXAZEXFGSA-N	351.834	2.164	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)/C=C\c3ccco3)cc2)CC1	588556508	QONNYHCHIOFGPS-HJWRWDBZSA-N	353.422	2.278	10	10	FECE	
COC(COCCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C)OC	832682900	PRLMAFQJSUNTGM-UHFFFAOYSA-N	360.454	2.388	10	10	FECE	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NCc3nc(CO)n[nH]3)c2C)c1	912942910	TVGZUCJFWPPXTC-UHFFFAOYSA-N	353.426	2.251	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN(CCN)CCc1ccccc1	844223609	DAUMMPDYAOQMTP-UHFFFAOYSA-N	368.525	2.214	10	10	FECE	
COc1cccc([C@@H](C)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)c1O	846171131	DGKGTOJAAJPNSJ-CHWSQXEVSA-N	363.435	2.286	10	10	FECE	
COc1cc(Br)cc([C@H](C)N[C@H](C)Cn2cncn2)c1O	848525272	LCASKVFTUQNQHX-ZJUUUORDSA-N	355.236	2.494	10	10	FECE	
Cc1ccc(CN2CC[C@H](NC(=O)NCc3c(O)cccc3F)C2=O)cc1	922180178	VKDAEHJWDMAPGD-KRWDZBQOSA-N	371.412	2.440	10	10	FECE	
COc1ccc(CNCC(C)(C)CS(C)(=O)=O)cc1Cn1cccn1	922734965	VFQGKPDYBHKNRM-UHFFFAOYSA-N	365.499	2.100	10	10	FECE	
Nc1ccc(Cc2nc(C(=O)NCCO[C@@H]3CC3(F)F)cs2)cc1	851643211	MWYLEKASHJMLHR-CYBMUJFWSA-N	353.394	2.470	10	10	FECE	
CO[C@@H](C)CS(=O)(=O)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C	853121053	XPUSUVPEYRGORS-AWEZNQCLSA-N	364.467	2.118	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)[C@H]1CCCN1C(=O)C(F)(F)F	862026925	DHCBFSMFXIEGII-GFCCVEGCSA-N	367.327	2.110	10	10	FECE	
COc1cc(CNC[C@]23COCCN2C(=O)OC3)c(O)c(C(C)(C)C)c1	865770474	MHAXMYXRYOIWHX-LJQANCHMSA-N	364.442	2.009	10	10	FECE	
Oc1cc2c(cc1CN1CCO[C@@H](COc3ccccc3)C1)[C@H](O)CO2	790467611	QGDDVAYRPJINFW-VQIMIIECSA-N	357.406	2.098	10	10	FECE	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H]1[C@H]2COC[C@H]21	793063287	YHOWZOUCGGHTTC-DANNLKNASA-N	367.396	2.201	10	10	FECE	
COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(O)c(O)c1	1153372864	BLPZUKLQXUEEBB-INIZCTEOSA-N	357.406	2.321	10	10	FECE	
C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCN1c1cnccn1	1308174378	QXDAKBJVJSGHHF-KRWDZBQOSA-N	353.470	2.024	10	10	FECE	
Cn1cc([N+](=O)[O-])c(NCc2cc(F)c(N3CCOCC3)c(F)c2)n1	1307138185	KOIDBGGXHKTCJK-UHFFFAOYSA-N	353.329	2.055	10	10	FECE	
CCc1nnc(N2CC[C@@H](OC)C2)n1Cc1ccc2c(c1)CCCN2C	1513953508	WWQJWBJGHXLTFO-QGZVFWFLSA-N	355.486	2.496	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NN2C(=O)[C@@H](C)N(C)C2=O)c1	1453750089	PBSNMJQALONRRC-CQSZACIVSA-N	354.410	2.330	10	10	FECE	
CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)Cc1ccc(O)c(O)c1	1467324107	PVEGWOSERPUEFQ-MRXNPFEDSA-N	357.406	2.273	10	10	FECE	
O=C(NCc1nc(-c2ccccn2)n[nH]1)NCc1cc(Cl)ccc1O	1470160623	ZAZNULBGECUDMF-UHFFFAOYSA-N	358.789	2.225	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCN(c3ncccc3F)CC2)cc1	1632299765	YMSKXKCAIPJTRB-UHFFFAOYSA-N	356.361	2.346	10	10	FECE	
CSc1ccc(N2C[C@H](C(=O)NCc3c(O)cccc3O)CC2=O)cc1	1639288946	CDVUXYMRLYQCTP-GFCCVEGCSA-N	372.446	2.489	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](C(=O)NCC1(CN=[N+]=[N-])CC1)[C@@H]1CCOC1	2124508421	PFGQUAKJUQBCHK-CHWSQXEVSA-N	367.450	2.371	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2124537484	YQZKIBSTUMCPMY-BFHYXJOUSA-N	367.450	2.417	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCC[C@@H](N=[N+]=[N-])C1)[C@@H]1CCOC1	2124506595	ZGRZYQPMUDBSKH-MCIONIFRSA-N	367.450	2.465	10	10	FECE	
CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1Cc1ncn(C)n1	1743567328	RRGSOQOGHOQZSU-ZDUSSCGKSA-N	355.446	2.310	10	10	FECE	
CO[C@@H](CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1)CC(C)C	1683266968	MHGIUIRPRFYOSO-LJQANCHMSA-N	362.518	2.299	10	10	FECE	
COc1ccc(C2=NN(CCO)C(=O)/C2=C\c2ccccc2[N+](=O)[O-])cc1	18192210	WSDPOOXKRKCNLQ-VBKFSLOCSA-N	367.361	2.226	10	10	FECE	
CN(CCS(C)(=O)=O)c1ccc(CNC2CC2)cc1Br	234267608	BOLQVGAUFGWJMA-UHFFFAOYSA-N	361.305	2.182	10	10	FECE	
CC(C)(C)OC(=O)NCC12COC(C(=O)N3CCC[C@H]3CN=[N+]=[N-])(C1)C2	2142245487	DWVYLQKDQQUNPT-CDEQTRAXSA-N	365.434	2.362	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCO1	1968856807	CPDDBIWTFKZTQN-JKSUJKDBSA-N	364.442	2.423	10	10	FECE	
COCCOCCN(Cc1ccccc1)c1cc2c(cc1N)OCC(=O)N2	2152214742	JIHCBRLIUQKADT-UHFFFAOYSA-N	371.437	2.269	10	10	FECE	
CCS(=O)(=O)[C@H]1CCN(Cc2cc(Br)cc(F)c2O)C1	2179910290	ZIXPHCPLEKQVMG-NSHDSACASA-N	366.252	2.303	10	10	FECE	
CCN(CCNC(=O)OC(C)(C)C)CC(=O)N(C)c1ccc(N)cc1	2044597605	JINMOUCKIDSDFA-UHFFFAOYSA-N	350.463	2.078	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](NCc2cc(F)ccc2O)C1	2052718032	VGWWBYOSKBFDIN-WFASDCNBSA-N	354.422	2.239	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2060638226	UMZJWPBJZNKXNH-YNEHKIRRSA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2060638625	ZGVXGWWWCPJLAB-FRRDWIJNSA-N	353.423	2.218	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)[C@H](O)CCNC(=O)OC(C)(C)C	2064276208	DCSZEXSHVBHZMH-SWLSCSKDSA-N	352.431	2.187	10	10	FECE	
CN(Cc1ccccc1O)C(=O)c1c[nH]nc1CCNC(=O)OC(C)(C)C	2235295266	LEVABPPUERLOBF-UHFFFAOYSA-N	374.441	2.455	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@H](O)C[C@@H](F)C3)ccc(N)c2C1	2226315815	XCJKWSLXXQTVID-CHWSQXEVSA-N	365.449	2.471	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1CCC[C@@H](NC(=O)C(F)(F)F)CC1	2286103004	CSIIPPPCFXCBNI-WCQYABFASA-N	372.391	2.129	10	10	FECE	
COc1ccc(C2=NN(CCO)C(=O)C2=Cc2ccc([N+](=O)[O-])cc2)cc1	2297502134	OCXPSXPEQKBLJZ-UHFFFAOYSA-N	367.361	2.226	10	10	FECE	
CN(C(=O)C=Cc1ccc(O)c(O)c1)[C@@H]1CCN(c2ccccc2)C1=O	2307987218	LAEFQKOOOWOJSJ-MRXNPFEDSA-N	352.390	2.375	10	10	FECE	
COc1cccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c1O	2313558736	IMYRRHDFCGKEBQ-UHFFFAOYSA-N	372.377	2.371	10	10	FECE	
CN(C)c1ccc([C@H](NC(=O)C=Cc2cncnc2)c2nccn2C)cc1	2330002296	LIZLATPOPZMOIU-IBGZPJMESA-N	362.437	2.195	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCN([C@@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1	177952811	FFESYKUHQKGKKW-SFHLNBCPSA-N	370.541	2.175	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3CCCN3c3nccs3)CC2)cc1	75488093	RFLXUARXOXMZLO-QGZVFWFLSA-N	372.494	2.469	10	10	FECE	
O=C(CN1C(=O)CSC1=S)N1CCS[C@@H](c2ccco2)CC1	219417509	GIGHQRXRLIJANC-LLVKDONJSA-N	356.494	2.147	10	10	FECE	
C[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCCO1	80010426	KTMAOIQGOLLWAG-DNVCBOLYSA-N	361.486	2.262	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3CCCN3CC(F)(F)F)CC2)cc1	812446020	JXUMMOMQWTXGIM-MRXNPFEDSA-N	371.403	2.371	10	10	FECE	
COC[C@H](C)n1ccc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)n1	822811474	FUJSNRUEMIXSMI-LSDHHAIUSA-N	373.457	2.500	10	10	FECE	
C[C@]1(C2CC2)CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCO1	823520455	UYZRUFIZCZHIRC-OAQYLSRUSA-N	373.497	2.358	10	10	FECE	
CC[C@@H](CO)N(C)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	838532013	DFSBFQYIQXYMGO-IBGZPJMESA-N	374.529	2.131	10	10	FECE	
CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1NCc1cccc(O)c1O	385449426	XVICFGPVXLNJDA-YUELXQCFSA-N	352.431	2.258	10	10	FECE	
O=C(O)/C=C/c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)o1	911210347	UGYGRLGZZHAYPJ-SOFGYWHQSA-N	356.378	2.144	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCC(Cn3cnnc3)CC2)cc1F	844934017	LBZNPSNNQKEDNF-UHFFFAOYSA-N	360.437	2.105	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3ccccc3OC)C2)cc1	850535773	BGWCZYILKMUBRD-CQSZACIVSA-N	369.421	2.037	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCc1cnccc1C	850602629	XIYFUHBWJUUOHH-UHFFFAOYSA-N	368.481	2.163	10	10	FECE	
Cc1cc(CNC(=O)N[C@@H](C)c2nnc(O)n2C)c(C)n1-c1ccccc1	923454843	XIZIONHDUYZUSF-ZDUSSCGKSA-N	368.441	2.489	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCN3CC(F)(F)F)C2)cc1	855223474	AJLNCDQCMFLVDR-XJKSGUPXSA-N	371.403	2.417	10	10	FECE	
CO[C@@H](CNC(=O)c1csc(Cc2ccc(N)cc2)n1)[C@@H]1CCOC1	851639934	NGZSVMBQBNJMIL-CJNGLKHVSA-N	361.467	2.097	10	10	FECE	
CCO[C@H](C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1)C(C)C	861213178	JGXWQWUTRRUFGI-IBGZPJMESA-N	361.486	2.032	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H](O)CCc3ccccc3)CC2)cc1	764595600	GEIBGALDWFJISG-FQEVSTJZSA-N	354.450	2.338	10	10	FECE	
CNS(=O)(=O)c1ccc(CCN[C@H](C)c2cccc(OC)c2O)cc1	866579401	UQRGWTDHEXWFLT-CYBMUJFWSA-N	364.467	2.202	10	10	FECE	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CO[C@H](C2CC2)C1	863532771	SBWSHTCYTARLRI-HIFRSBDPSA-N	350.802	2.377	10	10	FECE	
CN1CCCc2cc(CN3C(=O)N[C@H](Cc4cncs4)C3=O)ccc21	871893505	YVAAIARASPPLIV-OAHLLOKOSA-N	356.451	2.189	10	10	FECE	
CC(C)N1C(=O)CN(Cc2ccc(N3CCN(C)CC3)cc2)CC1(C)C	775705293	JEUBOBRUWSPYBN-UHFFFAOYSA-N	358.530	2.270	10	10	FECE	
C[C@H](NC(=O)C(=O)NC1CCC2(CC1)COC2)c1ccc(N(C)C)cc1	897864735	AAPVZXNOWHOSSX-AWEZNQCLSA-N	359.470	2.005	10	10	FECE	
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc2c(c1)CCN2Cc1ccccc1	1325604419	AXRPKBMMJXNMGA-CTNGQTDRSA-N	366.461	2.358	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3C[C@@H](CCO)[C@@H](CO)C3)c2C)cc1	1348197449	AVHHJYFCVFCEAZ-IAGOWNOFSA-N	372.465	2.166	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)N1CCC(F)(C2CC2)CC1	1340715359	XXJZIUIUEKEGRH-UHFFFAOYSA-N	371.503	2.482	10	10	FECE	
CC1(C)CC[C@H](CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)OC1	1262132955	QINZTMTUINICCD-GOSISDBHSA-N	371.481	2.000	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)NC1CCC=CCC1	1350384534	GQRNOMCGUIVTDP-UHFFFAOYSA-N	373.522	2.471	10	10	FECE	
CC(=O)N1CCN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)[C@H](C)C1	1286870373	BJHRXZHQIIVQIQ-OAHLLOKOSA-N	370.501	2.066	10	10	FECE	
Cn1cc(CNc2ccc(C(=O)NCc3ccc(O)c(O)c3)cc2)cn1	1445901654	OQVWJEAQBHTCLP-UHFFFAOYSA-N	352.394	2.373	10	10	FECE	
C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1	1298807278	QNRLRVISGZYUKF-NZVBXONLSA-N	357.414	2.130	10	10	FECE	
CCC[C@@](C)(CO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1471543448	IVPRROXHRZAJQK-HKUYNNGSSA-N	350.507	2.206	10	10	FECE	
Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1ccc(O)c(O)c1	1628200784	OXZHWFYAFMNQDB-UHFFFAOYSA-N	355.438	2.339	10	10	FECE	
CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)Cc1ccc(O)c(O)c1	1623710318	JEZQFICUZSKVNE-CQSZACIVSA-N	363.435	2.009	10	10	FECE	
Nc1ccc(CCn2cnc3c(I)ncnc32)cc1	2121248938	BEIFXCPUGCXBDK-UHFFFAOYSA-N	365.178	2.256	10	10	FECE	
Cc1ccc(C(=O)N(C)CCN(C)CCO)cc1-n1c(C)cc(C=O)c1C	1557695098	QCVHCDOOANPDEJ-UHFFFAOYSA-N	371.481	2.211	10	10	FECE	
CC[C@H]1SC(=S)N(CCCCCC(=O)NC[C@@H]2CCCO2)C1=O	11636789	TUXNGPQSPBGCPL-QWHCGFSZSA-N	358.529	2.481	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@]2(CNCc3cc(F)ccc3O)C[C@H]1CO2	1967734812	TUEHAYBRFMXHAX-KSSFIOAISA-N	352.406	2.399	10	10	FECE	
N[C@H]1CC[C@@H](C(=O)O)N(Cc2cc(Cl)cc(Br)c2O)C1	2188782684	SGLPPXXNWQCCOY-ONGXEEELSA-N	363.639	2.184	10	10	FECE	
CN(CCCN(C)C(=O)OC(C)(C)C)CC(=O)Nc1ccc(N)cc1	2044597479	HWLGRAJFKHXKEA-UHFFFAOYSA-N	350.463	2.396	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCc2ccccc2O)CO1	2060118873	FWBIGNRVHZPTLK-GXTWGEPZSA-N	350.415	2.033	10	10	FECE	
CSC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	2060346811	GBYXTEANCFHNJS-GFCCVEGCSA-N	370.471	2.013	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1)C1COC1	2060637940	QDXYAIRXFREAMB-OLZOCXBDSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)NCCN=[N+]=[N-])[C@H]2CCO[C@H]2C1(C)C	2060619858	RXNXIJGVGRZYLI-USBNGQNGSA-N	353.423	2.121	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CN(CCOc2ccc(N)cc2)CCCO1	2106690925	QJHKIFJULDDKGJ-QGZVFWFLSA-N	365.474	2.263	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]21	2106764573	JEZAPJPACZJXFK-DAXOMENPSA-N	360.458	2.289	10	10	FECE	
CCN[C@@H](c1ccccc1O)c1c(CNC(=O)OC(C)(C)C)nnn1C	2093696445	STVHXCSHVPSFPC-HNNXBMFYSA-N	361.446	2.244	10	10	FECE	
COc1cccc(O)c1CN[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12	2121670623	OLKUZYODVWYRIE-CKEIUWERSA-N	364.442	2.125	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CCCC2)CC[C@@H]1COc1nnc(=N)[nH]n1	2226135609	DLBKCRFNHGKFSP-GFCCVEGCSA-N	364.450	2.018	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@]2(NC(=O)c3cc(O)c(O)c(O)c3)CC[C@H]1C2	2343622845	UYBZNCINGPHHKA-BBATYDOGSA-N	364.398	2.075	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CNC(=O)c1ccccn1	172499164	ZBSCBBQULDLIQL-UHFFFAOYSA-N	366.465	2.460	10	10	FECE	
Cc1cc(C(=O)CN2C[C@@H](CO)OC[C@@H]2C)c(C)n1-c1ccc(F)cc1	138703112	GKFBNMDYKBXIAX-KSSFIOAISA-N	360.429	2.498	10	10	FECE	
COc1cc(C)c(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1C	278057458	JUZITDWDGIEPDK-CYBMUJFWSA-N	372.421	2.409	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CNC2CCN(c3ccccn3)CC2)c1O	373910250	MWGCAGWAJCIFNM-UHFFFAOYSA-N	358.398	2.463	10	10	FECE	
CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)NCc1ccc(N2CC=CC2)cc1	285649680	ZQIXAUHKANFSLN-AEFFLSMTSA-N	361.486	2.020	10	10	FECE	
C[C@H]1C[C@H](NC(=O)NCc2cc(Br)ccc2O)CCN1C	805187850	YFNVQBWWTVXBHF-GXFFZTMASA-N	356.264	2.437	10	10	FECE	
CNC(=O)[C@H]1CCN(CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)C1	817282491	FQEUIPBLPCHEHH-AWEZNQCLSA-N	374.872	2.393	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CNCCC3(F)CCC3)CC2)cc1	819313160	YHPVMHCLDOYIFB-SFHVURJKSA-N	365.493	2.050	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)C2	819398030	HPAVQUISOBHKBR-RKLWJJNISA-N	362.426	2.445	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)N[C@@H]3CC[C@@H]4C[C@H]4C3)CC2)cc1	825795151	HNSFAXAXGTWVMK-FGTMMUONSA-N	372.513	2.305	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CC(CO)(c3ccccc3)C2)cc1F	840280352	IQRIQHRLAREJPG-UHFFFAOYSA-N	357.429	2.347	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)CC(F)(F)CN)cc2F)C[C@@H](C)O1	846672343	FPGCQUAMEMELRG-VXGBXAGGSA-N	359.392	2.040	10	10	FECE	
COc1ccc(O[C@@H](C)C(=O)N(CC(=O)O)Cc2ccccc2O)cc1	911483797	FEJNQOKHWUIKJC-ZDUSSCGKSA-N	359.378	2.282	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H](N)CCO2)c1O	844912626	UXNPSPJDJOOHAM-LZWOXQAQSA-N	365.430	2.170	10	10	FECE	
C[C@H]1CN([C@@H](C)CNC(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H](C)O1	847323997	MZSKYPMVBXXASM-OKZBNKHCSA-N	372.513	2.360	10	10	FECE	
O=C(NCc1c(O)cccc1F)[C@@H](c1ccccc1)N1CCC(O)CC1	928704491	ACIZTZVULCKEHL-LJQANCHMSA-N	358.413	2.346	10	10	FECE	
CCO[C@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(C)C	858669406	MMFWOUQEJNLHRK-AEFFLSMTSA-N	361.486	2.066	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCCOCC(F)(F)F)C2)cc1	851973031	XNCPBKCNWZSLFP-GFCCVEGCSA-N	361.364	2.152	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@](C)(O)c3ccco3)C2)cc1	852454486	PDVRCVFTNDRYEB-KUHUBIRLSA-N	359.426	2.074	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](C(=O)O)C3CCC3)C2)cc1	854236936	ZBHPASCCYWRFFK-PBHICJAKSA-N	361.442	2.074	10	10	FECE	
Cc1cc(C[C@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)n[nH]1	761319728	ZGSQQEDVVMKKOL-NSHDSACASA-N	362.817	2.473	10	10	FECE	
CN1C(=O)CN(C(=O)/C=C\c2cnn(C)c2)c2ccc(C(F)(F)F)cc21	1134587054	YBSTYHZPLFOTAT-UTCJRWHESA-N	364.327	2.462	10	10	FECE	
COC(=O)c1c(CN2CCSC[C@@H]2CCO)c2cc(F)ccc2n1C	894087614	FBIXEAJTIJPSQM-ZDUSSCGKSA-N	366.458	2.404	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)cc1	1150493322	GKCYAFDYLOVYSJ-UONOGXRCSA-N	364.427	2.031	10	10	FECE	
COc1cc(N)c(C(=O)NCc2cccc(O)c2O)cc1Br	1153798606	RTSFXADQDFMGJO-UHFFFAOYSA-N	367.199	2.381	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2O)[C@@H](C(=O)O)C1	1962838024	NUXZTTWHCCDDDY-CYBMUJFWSA-N	354.378	2.037	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1C[C@H]2C=C[C@H]1CC2	1335521317	BZMXQGCSXIWWPR-VDZJLULYSA-N	353.466	2.374	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)N2C[C@@H]3CCC[C@H](C2)C3O)N(C)C)cc1	1251501556	UEMWJDUMKUBRIF-NNXNONAVSA-N	374.529	2.158	10	10	FECE	
O=C(C(=O)N1Cc2cccc(O)c2C1)N1CCC[C@@H](OC2CCC2)CC1	1348688730	MFHJXKLAQZDGTJ-MRXNPFEDSA-N	358.438	2.185	10	10	FECE	
CCOCCCN(C[C@@H](C)C(=O)OC)C(=O)/C=C/c1ccc(O)c(O)c1	1465195714	RDUFCRWXLOCULL-RCQQVGEISA-N	365.426	2.175	10	10	FECE	
Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1C[C@H](C)N(C)C	1612536635	IERPMFBJILFLNK-INIZCTEOSA-N	372.517	2.010	10	10	FECE	
Cc1cc(CCNC(=O)[C@@]2(C)C[C@@H](O)CN2C)c(C)n1-c1ccccc1	1470849813	LZKVOQJNMDVLPT-TZIWHRDSSA-N	355.482	2.208	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@](C)(OC)C(=O)OC(C)(C)C	1636058465	DBVIPJXAISTJQU-GOSISDBHSA-N	358.431	2.241	10	10	FECE	
O=C(CNC(=O)NCc1ccco1)NCc1c(O)ccc2ccccc12	1635965040	JSKZBHNJGNKSCH-UHFFFAOYSA-N	353.378	2.254	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cc1	1570632730	WMIBCYRTLFMKRB-KRWDZBQOSA-N	368.481	2.286	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C3(CCC3)C2)cc1	1597101604	PEYBJWDCZBLKKD-ZDUSSCGKSA-N	364.427	2.079	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)NCCc1ccc(O)c(O)c1)C1(C)CC1	1964864628	UGJPSVQXPVTRCI-OAHLLOKOSA-N	364.442	2.450	10	10	FECE	
CN1CCN(c2ccc(/N=N/N3CCN(c4ncccn4)CC3)cc2)CC1	1860485974	IFWZKRXPMCENHL-GHVJWSGMSA-N	366.473	2.049	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NCc2ccc(O)cc2O)CCO1	2036667408	MEHMNFIMHMHDQB-DZGCQCFKSA-N	352.431	2.260	10	10	FECE	
O=C(O)[C@@H]1CO[C@H](CNCc2cc(Cl)cc(Br)c2O)C1	714007792	LIYVQCSESJWOPK-WPRPVWTQSA-N	364.623	2.387	10	10	FECE	
CC(C)(CCNC(=O)OC(C)(C)C)NS(=O)(=O)Cc1ccc(N)cc1	2044247586	LJQKSFFXSINTFC-UHFFFAOYSA-N	371.503	2.382	10	10	FECE	
C[C@H](C(=O)NCCCCN=[N+]=[N-])N1CCN(C(=O)OC(C)(C)C)CC1	2060618041	UXAGGMAZOGRTNV-CYBMUJFWSA-N	354.455	2.134	10	10	FECE	
CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CC[C@H](N=[N+]=[N-])C1	2063955076	SNWDPJLAAFRLKR-RWMBFGLXSA-N	353.423	2.170	10	10	FECE	
CN(CCOCCNC(=O)CCc1ccc(N)cc1)C(=O)OC(C)(C)C	2106232225	JUGKOBMCAZUQMX-UHFFFAOYSA-N	365.474	2.201	10	10	FECE	
C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1c1cc2c(cc1N)OCCO2	2106881256	RNWZXXZNQCVJAH-VHSXEESVSA-N	359.348	2.076	10	10	FECE	
CN1CCc2cc([C@H](N)[C@@H]3[C@@H]4OCCN(C(=O)OC(C)(C)C)[C@H]43)ccc21	2106854659	GHOQOFLUSFFVMN-XSLAGTTESA-N	359.470	2.313	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1CC(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2218735694	QTBIDUZEQOCAIR-QNWHQSFQSA-N	353.423	2.264	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](C(=O)NCCCN=[N+]=[N-])O[C@@H]2C1	2260809139	WPONSGJVFBUWIW-RWMBFGLXSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)NCC(C)(C)OCCNC(=O)Cc1ccc(N)cc1	2278328884	UCDHSUKZTOISOK-UHFFFAOYSA-N	365.474	2.247	10	10	FECE	
O=C1NC(=O)N(CCc2ccccc2)C(=O)C1=Cc1nc2ccccc2[nH]1	2295924245	HIXAWXYJYIDAFO-UHFFFAOYSA-N	360.373	2.267	10	10	FECE	
COc1ccc(N2C(=O)C(=Cc3ccc(O)cc3)C(=O)NC2=S)cc1	2313530611	BHRMMFLIPGCPOU-UHFFFAOYSA-N	354.387	2.232	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CN[C@H]1CCC[C@@H](O)[C@H]1O	2333449242	BMHZGZFRWBLIQO-LOWVWBTDSA-N	350.640	2.172	10	10	FECE	
CN[C@H](c1ccccc1O)[C@@]1(O)C[C@H](OC)CN(C(=O)OC(C)(C)C)C1	2344445798	YUSFZEUBEPQLKL-URKNILKWSA-N	366.458	2.040	10	10	FECE	
CCCCN1C(=O)/C(=C/NCCc2c[nH]c3ccccc23)C(=O)NC1=S	104816028	GMWCLMDSZBCGAU-NTCAYCPXSA-N	370.478	2.227	10	10	FECE	
COc1cc(NC(=S)NC(=O)C(C)C)c(N2CCOCC2)cc1OC	20496594	QAPSRHBZVDDQFD-UHFFFAOYSA-N	367.471	2.009	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@@H]3CCCn4ncnc43)CC2)cc1	177336114	REVQPSJEOZHXLY-QGZVFWFLSA-N	370.457	2.044	10	10	FECE	
Cc1ccc(O)c(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)c1	179541004	GGQQZRCRTNESOE-UHFFFAOYSA-N	364.442	2.346	10	10	FECE	
CCOc1ccnc(N2CCN(Cc3cccc(OCC)c3O)CC2)n1	121507192	BHDVSJRUXXTSCP-UHFFFAOYSA-N	358.442	2.302	10	10	FECE	
COc1cc(/C=C2\C(=O)NN(c3ccc(C)cc3)C2=O)cc(OC)c1O	35343484	SZVXCQFODRBLBH-RIYZIHGNSA-N	354.362	2.179	10	10	FECE	
COc1ccc(N2CCN(C(=O)Nc3nc(C)n(C)n3)CC2(C)C)cc1	48134927	UCROHXSSRWYEGK-UHFFFAOYSA-N	358.446	2.265	10	10	FECE	
Cc1cc(C(=O)CN2CCN(CCO)[C@@H](C)C2)c(C)n1-c1ccc(F)cc1	249526850	AEFWOTPNWWUAEE-INIZCTEOSA-N	373.472	2.414	10	10	FECE	
Cc1cc(/C=C\C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c(C)n1-c1ccccc1	255299371	FTWCOYVVXMEDFU-LJJZPKPQSA-N	367.449	2.256	10	10	FECE	
CC[C@@H]1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1	366496029	UVUFXLMKHSISHV-PXAZEXFGSA-N	352.387	2.386	10	10	FECE	
CC1(C)SC[C@H]1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	282814778	MTDUSMQMBJLQSZ-OAHLLOKOSA-N	353.463	2.356	10	10	FECE	
Cc1ccc(CNCc2nsc(C(=O)O)n2)c(O)c1Br	2380740497	WOHQVRPBIQZSNK-UHFFFAOYSA-N	358.217	2.303	10	10	FECE	
Cc1ccc(CN(C)S(=O)(=O)c2cc[nH]n2)c(O)c1Br	2381127047	DPOLMSITNQWRPF-UHFFFAOYSA-N	360.233	2.007	10	10	FECE	
CCS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)C(C)=O)c1Cl	808517322	XOARMDIQKLZLKE-UHFFFAOYSA-N	367.206	2.102	10	10	FECE	
C[C@H](NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[C@@H](C)CO	295711431	KEKMUHABXRNYPE-STQMWFEESA-N	366.417	2.007	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCC[C@@](O)(C2CC2)C1	823520520	WZBZFRQDTCWWQP-NRFANRHFSA-N	373.497	2.094	10	10	FECE	
COCCc1cc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)n(C)n1	822005746	PHJZXYUFENUVAR-OAHLLOKOSA-N	373.457	2.018	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3COCC3(C)C)CC2)cc1F	836637861	DEUHJBIMSOUWLF-MRXNPFEDSA-N	351.422	2.091	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)C[C@H](C)n3cccc3)CC2)cc1	732922934	HOHSWIDCRYBAPP-SFHVURJKSA-N	370.497	2.386	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N(C1CC1)[C@H]1CCNC1	841705941	AXNSWPGAWBKONT-SFHVURJKSA-N	360.527	2.276	10	10	FECE	
CC(C)[C@H](O)COC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O	849628040	JKFKNXUBRCVOLP-OAHLLOKOSA-N	353.374	2.218	10	10	FECE	
Nc1ccc(CCNC(=O)N2C[C@H](c3ccccc3)[C@](F)(CO)C2)cc1	841955426	BORLICOXUIOERU-UYAOXDASSA-N	357.429	2.321	10	10	FECE	
C[C@@H]1OC[C@]2(CC[C@H](CN3C(=O)CN(Cc4ccccc4O)C3=O)O2)[C@H]1C	925145397	MHRDQHQRFXEDFG-LPRVAIFDSA-N	374.437	2.129	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)Cc1cc(C2CC2)no1	854988317	SOFMJUFMPRJNAO-UHFFFAOYSA-N	358.394	2.392	10	10	FECE	
C[C@H](NC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1)c1ccc(N(C)C)cc1	852261934	WMOYIELWSPHDSN-WMLDXEAASA-N	361.490	2.211	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCc3c(cccc3C(N)=O)C2)cc1	853244426	LZQVNRVFIJWLQL-UHFFFAOYSA-N	352.438	2.119	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC(C3CCC3)CC2)c1	855439755	NNJWRUBWCSLHIW-UHFFFAOYSA-N	352.456	2.416	10	10	FECE	
CC1(N2CCCC2)CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1	866022408	XWUBNABOEORBND-UHFFFAOYSA-N	360.414	2.380	10	10	FECE	
COc1ccc(O)c(CNC(=O)NCC[C@H]2COc3ccccc3O2)c1	767001823	IJBHEQONBJMDLR-HNNXBMFYSA-N	358.394	2.430	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCN(Cc4ccsc4)CC3)cc2N1	761872264	PDZRKCYZLPGMFE-UHFFFAOYSA-N	374.422	2.309	10	10	FECE	
CO[C@@H]1CCn2cc(C(=O)NCCCSc3nccs3)nc2C1	865782993	JOFILZQRCFWXTH-LLVKDONJSA-N	352.485	2.213	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@@H]3CCNC34CCC4)CC2)cc1	861662046	MEUDFBJKQDRQGV-GOSISDBHSA-N	358.486	2.202	10	10	FECE	
COC(=O)C[C@]1(NCc2cc(C)cc(Br)c2O)CCOC1	766465991	DVYKVYOSBMASST-OAHLLOKOSA-N	358.232	2.275	10	10	FECE	
COc1cc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)ccc1F	786873336	DCMPNXUULUTCSN-UHFFFAOYSA-N	368.415	2.492	10	10	FECE	
O=C1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCN1CC(F)(F)F	897746961	DAUHCQMOEHAKIV-UHFFFAOYSA-N	374.340	2.159	10	10	FECE	
COC(=O)c1c(CN2CCC(CC(N)=O)CC2)c2cc(F)ccc2n1C	893946058	KJTDXNGBUHCMBD-UHFFFAOYSA-N	361.417	2.191	10	10	FECE	
CC(=O)N1CCN(c2ccc(OC[C@H](O)c3ccc(F)cn3)cc2)CC1	799617386	RHSBHUUFBQUVGW-IBGZPJMESA-N	359.401	2.002	10	10	FECE	
CC1(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCC(=O)CC1	1141996175	LHQDUHIPYZRRCZ-INIZCTEOSA-N	371.481	2.154	10	10	FECE	
C[C@H](NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1O	1918946487	ISWDOWUGWVQJFX-SGTLLEGYSA-N	352.431	2.120	10	10	FECE	
CN(C[C@H](O)COCc1ccccc1)C(=O)CCOc1ccc(N)cc1	1916347293	HRCKXPVBXAXYDP-SFHVURJKSA-N	358.438	2.074	10	10	FECE	
CN(CCC(=O)Nc1ccc(N)cc1)C[C@H](O)COCc1ccccc1	1916365600	ZGLXLDYZMSTOGH-IBGZPJMESA-N	357.454	2.107	10	10	FECE	
Nc1cccc(C2CCN(C(=O)C(=O)N3Cc4cccc(O)c4C3)CC2)c1	1348714809	QDQWLZCOPWDQKU-UHFFFAOYSA-N	365.433	2.223	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1Cn1ccnn1	1447562679	MFHLHJQGVKFOJY-ZDUSSCGKSA-N	352.394	2.099	10	10	FECE	
Cn1c(S)nnc1[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1	1464979904	MFKFGAQAMLBOMG-LLVKDONJSA-N	373.442	2.286	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCO[C@@H](c3nccn3C)C2)c1	1470477976	BWLJTDZEQLMQDF-OGHNNQOOSA-N	374.441	2.415	10	10	FECE	
Cc1cn2nnc(C(=O)NCc3cc(Cl)cc(Cl)c3O)c2c(O)n1	1625688528	BJPMKLQVMSDRNL-UHFFFAOYSA-N	368.180	2.081	10	10	FECE	
Cc1ccc(N(Cc2cnn(C)c2)C(=O)c2ccoc2CC(N)=O)cc1	1637934160	MULGRLXOMPEYIV-UHFFFAOYSA-N	352.394	2.196	10	10	FECE	
Cc1ccc(O)c(CNC(=O)/C(=C/c2ccc(F)cc2)n2nnnc2C)c1	1645800744	QTYOWFQLEKBYAI-YVLHZVERSA-N	367.384	2.449	10	10	FECE	
Cc1noc(COc2ccc(C(=O)NCc3c(O)cccc3F)cn2)n1	1646034139	IANRNJZSVGQYIJ-UHFFFAOYSA-N	358.329	2.127	10	10	FECE	
CCN(C)c1ccc(CN(CCO)CCNC(=O)OC(C)(C)C)cc1	1658172025	BYKJTYQMACGMJT-UHFFFAOYSA-N	351.491	2.462	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CN(C(=O)OC(C)(C)C)C1	2124536042	ZEHREOHRBOWZNJ-BFHYXJOUSA-N	367.450	2.417	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)C1	2126933597	OQWVFQCIPRRUEN-CXAGYDPISA-N	367.450	2.297	10	10	FECE	
O=C(NC1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1)Oc1ccccc1	169892809	ZRXJBWFWLVYCDB-UHFFFAOYSA-N	372.377	2.197	10	10	FECE	
C[C@@H]1C[C@@H](CNCc2ccc(Br)cc2O)CCS1(=O)=O	1966091386	VBUSRQKYWKJKOR-MNOVXSKESA-N	362.289	2.458	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NCc2ccc(O)cc2O)CC1	1921715926	MEPWAJNGOZSPMR-GOEBONIOSA-N	366.458	2.195	10	10	FECE	
O=C(OCc1ccccc1)N1CCOC[C@@H](NCc2ccc(O)c(O)c2)C1	1946791905	GSNXOWOVVKTOBW-KRWDZBQOSA-N	372.421	2.225	10	10	FECE	
CNCc1ccc(N2CCS(=O)(=O)[C@H](C)[C@H]2C)cc1Br	2170258328	YFNWZKVYMJVZQN-GHMZBOCLSA-N	361.305	2.180	10	10	FECE	
C[C@H](NC(=O)CCOc1ccc(N)cc1)[C@H](C)NC(=O)OC(C)(C)C	2044202822	SROBDAAOKFEXMH-STQMWFEESA-N	351.447	2.456	10	10	FECE	
CC(C)(C)OC(=O)N[C@@](C)(C(=O)NCc1ccccc1O)C(C)(C)O	2060492233	CESJLJUMIVLPAX-SFHVURJKSA-N	352.431	2.063	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@H]1CCOCC[C@H]1NC(=O)OC(C)(C)C	2060636755	BDWSHNKZVRCQLN-QWHCGFSZSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1)C1COC1	2060638352	VXTQDSSPKJGHBY-WCQYABFASA-N	353.423	2.075	10	10	FECE	
C[C@@H]1COC[C@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)N1C(=O)OC(C)(C)C	2060618965	GOQXSKJPAKZSGQ-FRRDWIJNSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1[C@@H](O)[C@H](N)c1ccccc1O	2076979363	XHEQFUMSDOUKRF-MRVWCRGKSA-N	358.385	2.398	10	10	FECE	
COC(=O)CC[C@H](O)CN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1	2106581749	NFUZLEBNABUECS-INIZCTEOSA-N	366.458	2.462	10	10	FECE	
CC(C)S(=O)(=O)C[C@@H](C)NCc1c(O)cccc1Br	2114187837	AUXWLMXXJMPYST-SNVBAGLBSA-N	350.278	2.456	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])CCCO1	2218737366	GYNDWZITBHILET-WQGACYEGSA-N	353.423	2.408	10	10	FECE	
COc1ccc(Br)c(CN2C[C@H](C(F)F)[C@@H](N)C2)c1O	2236047617	YDCQLDKZPJPPJV-WPRPVWTQSA-N	351.191	2.188	10	10	FECE	
CC(C)c1ccc2c(c1)CCCN2C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O	59896952	LAAYIIXCQPPKQG-CSKARUKUSA-N	367.449	2.200	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCO[C@H](Cn3nc(C)cc3C)C2)c1O	175652461	KBPHQKDTDPBSSD-KRWDZBQOSA-N	361.417	2.448	10	10	FECE	
CCCNC(=O)CN(C)C(=O)CNc1ccccc1C(=O)c1ccccc1	175597385	SATILBSVTQXCCT-UHFFFAOYSA-N	367.449	2.314	10	10	FECE	
CC(=O)N(C(C)=O)N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S	96581547	SYDOUBZNDWFWBM-KPKJPENVSA-N	365.392	2.106	10	10	FECE	
COc1ccc(N2CCN(C(=O)CNCCc3ccccc3)CC2)cc1	243151957	JNZMWLRLORLKIR-UHFFFAOYSA-N	353.466	2.176	10	10	FECE	
Cc1ccc(CN2CCS(=O)(=O)[C@@H](C)[C@H]2C)c(O)c1Br	2380733460	ONCWSVGSAVMACA-MNOVXSKESA-N	362.289	2.471	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C	808515363	OJYXCQJFJQPWDL-IHRRRGAJSA-N	353.415	2.256	10	10	FECE	
C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@@H]1CCN(Cc2ccccc2)C1	2132349054	XRDHYYMMNFEUEF-UKRRQHHQSA-N	356.422	2.444	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3CCO[C@H](C4CC4)C3)C2)cc1	823726863	YJLKGKZVNYHINB-KXBFYZLASA-N	359.470	2.342	10	10	FECE	
OCCO[C@]1(CNCc2ccc(OCc3ccccc3)cc2O)CCOC1	826941890	LYWVQXRSBDWOHD-NRFANRHFSA-N	373.449	2.229	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N2C[C@H](C)Oc3c(F)cccc32)c1	588512988	UGAAQYCXAXSDEH-DGMVEKRQSA-N	355.369	2.408	10	10	FECE	
CN(C/C=C\c1ccc(N(C)C)cc1)CC(=O)N1CCC(C(=O)O)CC1	901626119	CAOHMVLNXQHNQF-PLNGDYQASA-N	359.470	2.021	10	10	FECE	
CCc1ccc(NC(=O)C(=O)NCc2cccc(OC)c2O)cc1OC	835141585	AQAWTHUHWKJAOB-UHFFFAOYSA-N	358.394	2.227	10	10	FECE	
C[C@H](NC(=O)NCCC1(CO)CCC1)c1ccc(N2CCOCC2)cc1	844925608	DBANHQVBCCBASW-INIZCTEOSA-N	361.486	2.436	10	10	FECE	
CN(Cc1ccccc1O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1	747093198	YLBKXNFSOVJKPU-UHFFFAOYSA-N	371.441	2.311	10	10	FECE	
O=C1N[C@]2(C(=O)NCc3ccc(N4CCCCC4)cc3)C[C@H]3C[C@H]1[C@H]2C3	845312056	LTBUGHJJZBTKDQ-DZKDUJFISA-N	353.466	2.208	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3ccc(C)cc3)C2)cc1	849224744	JZNIRNFQEOPXNP-INIZCTEOSA-N	353.422	2.337	10	10	FECE	
COc1ccc(N2CCCN(C(=O)NC[C@H]3C[C@@H](N(C)C)C3)CC2)cc1	847408623	AZQRPLFZWPYFDW-MAEOIBBWSA-N	360.502	2.257	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)CCOCC3CCC3)C2)cc1	849417305	OVOQINKTYVWZKA-INIZCTEOSA-N	368.499	2.010	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H](C)N(C)CC(F)(F)F)C2)cc1	855224964	MEQWBSNZLZBORS-STQMWFEESA-N	359.392	2.273	10	10	FECE	
C[C@@H](NC(=O)c1cccc2ncnn12)c1ccc(N2CCOCC2)cc1	753486100	RHUIMWSDAXFKEA-CQSZACIVSA-N	351.410	2.057	10	10	FECE	
CC(C)=CC[C@@H]1NC(=O)N(Cc2ccc(N3CCOCC3)c(F)c2)C1=O	924488735	VETZDAXDLIMQHN-INIZCTEOSA-N	361.417	2.439	10	10	FECE	
C[C@@H](NC(=O)NC[C@@H]1CCN1C1CCOCC1)c1ccc(N(C)C)cc1	922055938	UILPTHDAGMDPRO-BEFAXECRSA-N	360.502	2.366	10	10	FECE	
Cc1cc(CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1	854294358	BHGSYWZZJQRFKK-SFHVURJKSA-N	360.479	2.282	10	10	FECE	
COc1cccc(CNC(=O)NCc2c(C(F)(F)F)cnn2C)c1O	875784729	CUKRREJDSLUZQN-UHFFFAOYSA-N	358.320	2.153	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@@H](C)c3ccnn3C)CC2)cc1	869177342	RMMNBCYLGILNJL-HNNXBMFYSA-N	357.458	2.412	10	10	FECE	
Cn1ccnc(N2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)c1=O	769466547	LLHNWYCSPLOQJL-UHFFFAOYSA-N	367.497	2.093	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cnn4c(C)cc(C)nc34)C2)cc1	1118777578	KJCFBQGFSANRIX-OAHLLOKOSA-N	365.437	2.363	10	10	FECE	
C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cc2cc(O)c(O)cc2s1	896341715	HVLMAGLAIVTCLF-DTWKUNHWSA-N	357.453	2.206	10	10	FECE	
O=C(CCN1CC[C@@H](F)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	1137727395	ILRGGKUJVLHLDZ-SJORKVTESA-N	350.434	2.334	10	10	FECE	
C[C@@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](CO)C1)c1ccccc1O	1879527382	RDRGXOPNRLTFSB-VPZZIHKRSA-N	364.442	2.235	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCc1ccc(N2CCCCC2=O)cc1	1136394837	UIPQSQZLQDZLBJ-UHFFFAOYSA-N	354.406	2.474	10	10	FECE	
COc1ccc(CNC(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)c(O)c1	794380984	HFTFQTOJUUREHL-UHFFFAOYSA-N	371.393	2.248	10	10	FECE	
Cc1cc(CC(=O)N2CCO[C@H](CC(=O)O)C2)c(C)n1-c1ccccc1	1328763597	UVVUBBVHECBDGP-GOSISDBHSA-N	356.422	2.339	10	10	FECE	
C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccn1	1328418293	BAVNAPHTYSKLJE-GJZGRUSLSA-N	354.454	2.245	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)C(=O)NC3C[C@@H]4C[C@H]4C3)cc2)CC1	1349027032	ZIQQIWZLRDZDTI-IRXDYDNUSA-N	355.482	2.454	10	10	FECE	
CC(=O)c1ccc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)o1	1288913180	QDOQKOPASUVOSJ-UHFFFAOYSA-N	369.421	2.114	10	10	FECE	
C[C@@H]1CC[C@H](C(N)=O)CN1c1nnc(-c2sccc2O)n1CC1CC1	1527163494	FTEZMDWKAGYBNZ-PWSUYJOCSA-N	361.471	2.212	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)OCCC(C)C	1633473305	MHXBXGYVIHKGFV-HIFRSBDPSA-N	367.442	2.139	10	10	FECE	
Cc1cc(F)ccc1-n1cc(O)c(C(=O)NCc2cc(O)ccc2O)n1	1558175381	OQBZQFRRZLZRJW-UHFFFAOYSA-N	357.341	2.367	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)c3ncc(C)cc3O)cc2F)CC1	1585404082	RLAVXMPAIAYUMR-UHFFFAOYSA-N	372.444	2.307	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCc1ccc(O)c(O)c1	2124348657	LNKAZARSGPQXBC-GXTWGEPZSA-N	364.442	2.260	10	10	FECE	
O=C(NN1C(=O)/C(=C\c2cccnc2)SC1=S)c1cccc(O)c1	5855620	ICODMLNAXZKNLC-NTUHNPAUSA-N	357.416	2.333	10	10	FECE	
CC(=O)NCCCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S	1858594025	HZBLGBCNEYNVEN-UKTHLTGXSA-N	365.436	2.322	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)NCCc1ccc(O)c(O)c1)C(C)(F)F	2128393003	NEHXYRATKPWBOB-ZDUSSCGKSA-N	374.384	2.305	10	10	FECE	
Cc1cc(Br)cc(CN2CC[C@H]3CS(=O)(=O)C[C@H]32)c1O	2151232707	LOJAOKZKGMKXLN-GXFFZTMASA-N	360.273	2.082	10	10	FECE	
CCN[C@H]1C(=O)Nc2cc(N(CC(=O)N(C)C)Cc3ccccc3)ccc21	2152240378	MEFGUHWIRBNVDV-HXUWFJFHSA-N	366.465	2.384	10	10	FECE	
O=C(c1cccc(O)c1O)N1CC[C@@](COCc2ccccc2)(C(=O)O)C1	2159917830	MFKNTFFNJFVFMZ-HXUWFJFHSA-N	371.389	2.232	10	10	FECE	
O=C1Nc2cc(N3C[C@H]4CSC[C@H]4C3)c(Br)cc2[C@@H]1O	711548730	VQCFVPMAPDTJFX-DAROEXNTSA-N	355.257	2.234	10	10	FECE	
CN1C(=O)[C@H](O)c2ccc(N3C[C@@H]4CCN(Cc5ccccc5)[C@H]4C3)cc21	2188872032	MXLQGHDMUNFFQN-ORYQWCPZSA-N	363.461	2.407	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H](CNC(=O)Nc2ccc(N)cc2)C1	2106290445	OXQXJLHMZNHTBB-CYBMUJFWSA-N	364.446	2.274	10	10	FECE	
CO[C@]1(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])CCN(C(=O)OC(C)(C)C)C1	2218741257	CAXUNXGUUCDWPK-MQIPJXDCSA-N	353.423	2.360	10	10	FECE	
C[C@H]1OC2(C(=O)N3CC[C@@H](N=[N+]=[N-])C3)CC1(NC(=O)OC(C)(C)C)C2	2254817620	MYAUXFLWBCVCSK-CHISNJGVSA-N	351.407	2.112	10	10	FECE	
O=C1C(=Cc2ccc(F)cc2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1	2296663491	ZAGIRWNHLSYIMT-LLVKDONJSA-N	357.453	2.214	10	10	FECE	
O=C(Cn1c(=O)[nH]c2ccccc21)NCc1c(O)ccc2c1CCCC2	75159630	YMZXFFDHNNHHCK-UHFFFAOYSA-N	351.406	2.230	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)Nc1nc2ccc(F)cn2n1	255619843	AMJZNWWEQKUZIH-BAQGIRSFSA-N	367.384	2.357	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)Nc1nnc(C(F)(F)F)[nH]1	255355106	TXIMRUPWZZVMAI-UTCJRWHESA-N	367.331	2.312	10	10	FECE	
CNC(=O)NC[C@H]1CN(Cc2cc(-c3ccccc3)ccc2O)CCO1	529645205	XWKYARBWKHNYMW-SFHVURJKSA-N	355.438	2.189	10	10	FECE	
O=C(CN1CCCC12CCC2)NCc1ccc(N2CCOCC2)c(F)c1	373095375	QKLZUURFUGHZKX-UHFFFAOYSA-N	361.461	2.297	10	10	FECE	
CC(C)c1nn(C)cc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	280854162	YIWOZAJSFIDBCA-UHFFFAOYSA-N	369.469	2.399	10	10	FECE	
C[C@@H](NC[C@H](CO)c1cccnc1)c1ccc(N2CCOCC2)c(F)c1	806180061	ZISCJDLGFMTFFL-CRAIPNDOSA-N	359.445	2.484	10	10	FECE	
Cc1cncc(NC(=O)C(=O)NCc2cc(Br)ccc2O)c1	807387751	VHMBHCFFFFKDRK-UHFFFAOYSA-N	364.199	2.113	10	10	FECE	
CC(C)c1ccccc1N(C)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12	809391328	SQCLELIYERZOSI-UHFFFAOYSA-N	359.451	2.270	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)N[C@H]1CCc2nc[nH]c2C1	811950547	HASPHRYDHASZSY-NSHDSACASA-N	365.231	2.235	10	10	FECE	
Cc1nc(C(C)C)oc1CNC(=O)c1cc(NS(C)(=O)=O)ccc1O	816718373	ORYHGSWNPQGALY-UHFFFAOYSA-N	367.427	2.114	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCN(c3cc4c(cc3N)OCCO4)[C@H]2C1	2132363772	FITRCXNMVAFQEC-WFASDCNBSA-N	361.442	2.486	10	10	FECE	
CCOC(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2O)c(O)c1	821178457	SDQJXMWRXFDJJM-UHFFFAOYSA-N	373.333	2.354	10	10	FECE	
C[C@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CCN(CC(F)(F)F)C1	840141728	XEQFPVULUIQBPL-XHDPSFHLSA-N	360.376	2.134	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCCN1CCCC1=O	840238884	SLBYAJJJFGQXIY-INIZCTEOSA-N	360.502	2.304	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)NC[C@@H](C(=O)O)C2CCC2)cc1	854236833	YHTBAOHWNSUSCD-QGZVFWFLSA-N	363.458	2.274	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@H]3CCN(C)C[C@@H]3C)C2)cc1	854300728	YZEBUQAKZJRTEF-BXWFABGCSA-N	360.502	2.256	10	10	FECE	
C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CCC(F)CC1	856080956	SGSXGIQDAZHJOT-VOMCLLRMSA-N	358.435	2.410	10	10	FECE	
COc1ccc(N2CC[C@@H](Nc3c(C(N)=O)cccc3[N+](=O)[O-])C2)cc1	853760629	LSIOXAIEUOAWRI-GFCCVEGCSA-N	356.382	2.393	10	10	FECE	
CCC[C@H](C)N1C[C@H](C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1=O	855229393	JPJMFRMJQOWWSG-BBWFWOEESA-N	373.497	2.427	10	10	FECE	
Cn1cc(C(C)(C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cn1	752494399	IJSWLUKMGQVGRX-UHFFFAOYSA-N	374.460	2.114	10	10	FECE	
Cc1cc(CCNC(=O)C(=O)Nc2cnns2)c(C)n1-c1ccccc1	760190672	UKHSQGAIVYVTEQ-UHFFFAOYSA-N	369.450	2.243	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)N3CC[C@@H](C(C)C)C3)CC2)cc1	1117198298	JSLKJTDQBOBBGK-MRXNPFEDSA-N	373.497	2.285	10	10	FECE	
C[C@@H](NC(=O)C(=O)Nc1ccc(N(C)C)nc1)c1ccc(N(C)C)cc1	773846759	OHNVFAZTWHRAEV-CYBMUJFWSA-N	355.442	2.030	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCC(O)(C(C)C)CC3)C2)cc1	1123660890	YNZGUUAZAOWBNL-MRXNPFEDSA-N	361.486	2.466	10	10	FECE	
O[C@]1(CNCc2ccc(N3CCOCC3)cc2)[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53	785546946	UJLXOBXHDLCZSR-IKSKONBOSA-N	366.505	2.122	10	10	FECE	
COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(N2CCN(C)CC2)cc1	786578174	JEFBQJSKNSBPFB-SXLOBPIMSA-N	357.498	2.212	10	10	FECE	
Cc1ccc(F)cc1C(=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1	1133123740	WHSOIBMLMWDFRF-UHFFFAOYSA-N	369.440	2.385	10	10	FECE	
CS[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H]1N(C)C	897238008	SZNFMXOUCNJAOX-ZUZCIYMTSA-N	352.481	2.430	10	10	FECE	
O=S(=O)(C[C@H]1CCCCO1)NCc1cc(Br)ccc1O	796192249	VQDACIJLOQNKEJ-GFCCVEGCSA-N	364.261	2.143	10	10	FECE	
COC(=O)/C=C/c1ccc(N2C[C@H](C)S(=O)[C@H](C)C2)c([N+](=O)[O-])c1	790800428	ROPAZWWFRZNDNL-GDVQPKEOSA-N	352.412	2.127	10	10	FECE	
COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCc2c(O)cccc2O)cc1	1304053548	NJYMPCRDJVQVPP-MRXNPFEDSA-N	370.405	2.027	10	10	FECE	
C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccccc1O)N(C)C	1303717756	MKKXTBCBBYYZOG-RDJZCZTQSA-N	373.501	2.464	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCCCCNC(=O)CC2)c([N+](=O)[O-])c1	1307231845	QUAXETBDKAABSV-SOFGYWHQSA-N	361.398	2.278	10	10	FECE	
CC(C)[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C1CC1	1327935100	USCQLZJABBFJFW-HNAYVOBHSA-N	373.497	2.251	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1C[C@H]1c1ccccc1	1322964677	DRJIPLPFMLPCAK-OALUTQOASA-N	351.450	2.350	10	10	FECE	
COC1(c2nccn2C)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	1352738128	LFGURICIZLNKHI-XQRVVYSFSA-N	357.410	2.009	10	10	FECE	
CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1	1293692227	UWVNSBPIMRWJIJ-MNOVXSKESA-N	369.464	2.398	10	10	FECE	
CON(CC(=O)Nc1ccc(N)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	2119464098	FNVOZMDTZUBERJ-OAHLLOKOSA-N	364.446	2.080	10	10	FECE	
CCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)cc1C	1614606794	HXPJDRVOHKRQHX-KRWDZBQOSA-N	370.501	2.498	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)NCCc3ccoc3)cc2)CC1	1470815768	PWQNMLTUVYFTGO-UHFFFAOYSA-N	370.453	2.023	10	10	FECE	
CC(C)(C)OC(=O)NCC(F)(F)CC(=O)NCc1cc(O)ccc1O	1633599227	TZPPQLFRONJXCO-UHFFFAOYSA-N	360.357	2.264	10	10	FECE	
C[C@H](CNC(=O)OC(C)(C)C)[C@@H](F)C(=O)NCCc1ccc(O)c(O)c1	2124286703	QICUHFDYIROLJI-IAQYHMDHSA-N	370.421	2.255	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)c3cc(F)ccc3N)cc2)CC1	1596355316	NSIBKMOUZTXLKV-UHFFFAOYSA-N	370.428	2.040	10	10	FECE	
CC(=O)NCCNC(=O)c1ccc2[nH]c(-c3ccc(N(C)C)cc3)nc2c1	1872731969	OCYKQTKCSHQZFC-UHFFFAOYSA-N	365.437	2.162	10	10	FECE	
COc1cccc(CNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)c1O	2133751594	OIHLDQMXPSZCNR-UHFFFAOYSA-N	366.458	2.252	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)COc1ccc(N)cc1	1905376889	IHLNDKKVCZUSEK-UHOFOFEASA-N	361.442	2.019	10	10	FECE	
COC(C)(C)[C@@H](N)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	1952207758	FWAUFKQQIJZFEM-DOMZBBRYSA-N	354.447	2.286	10	10	FECE	
CNCc1ccc(N2CCC[C@H]2CS(C)(=O)=O)cc1Br	2151274716	UHNNPKXOMZNXCE-ZDUSSCGKSA-N	361.305	2.182	10	10	FECE	
C[C@@H](O)c1ccc(N2CC[C@H]3CS(=O)(=O)C[C@@H]32)cc1Br	2151273728	QGXPYACMRWRHLC-BFVZDQMLSA-N	360.273	2.126	10	10	FECE	
C[C@H](N[C@@H]1COCC[C@H]1NC(=O)OC(C)(C)C)c1c(O)cccc1O	2031533583	VNVKQKBWPOXYLX-YNEHKIRRSA-N	352.431	2.431	10	10	FECE	
COc1cccc(O)c1CNC1(C(N)=O)CCN(Cc2ccccc2)CC1	2160714440	QMJKSKQXEREPAR-UHFFFAOYSA-N	369.465	2.011	10	10	FECE	
CN(C)c1ccc([C@H](N)c2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)cc1	2163128507	VQVCJJIOCRMGHZ-KRWDZBQOSA-N	372.473	2.184	10	10	FECE	
C[C@H]1CN(Cc2ccccc2)C[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1	389786952	MMBMWKZDZJTNGH-KXBFYZLASA-N	359.495	2.209	10	10	FECE	
C[C@@H](N)c1ccc(N2CCS(=O)(=O)C(C)(C)C2)cc1Br	2170280394	RNUKHRWICGGLIT-SNVBAGLBSA-N	361.305	2.482	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)CC12CCC2	2049781293	SYGDJCLZKQLWCE-IHRRRGAJSA-N	350.459	2.432	10	10	FECE	
CC(C)(C)NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2059513729	RSCYQUKPLHUZEF-LBPRGKRZSA-N	352.431	2.448	10	10	FECE	
CCN(C[C@H](O)COc1ccc(N)cc1)C[C@@H](C)NC(=O)OC(C)(C)C	2106760683	QPCRJZULNHVNPB-ZBFHGGJFSA-N	367.490	2.244	10	10	FECE	
CC(C)(C)OC(=O)NCCN(CCO)c1ccc2c(c1)OCCCO2	2255078604	BHMAKDIWIKNCOV-UHFFFAOYSA-N	352.431	2.171	10	10	FECE	
O=C(C=Cc1ccccc1)NC[C@H](O)c1ccc(N2CCOCC2)cc1	2318431757	ZPPHGRPDHHPIOW-FQEVSTJZSA-N	352.434	2.386	10	10	FECE	
CCOc1ccccc1[C@H]1CC(=O)NC(NC(=O)c2cccc(OC)c2)=N1	20924842	CJMXKHBAIQVAKJ-MRXNPFEDSA-N	367.405	2.441	10	10	FECE	
Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(C(=O)O)cc3)C2=O)cc1	38161166	UCKXXZJOGIWWKX-XNTDXEJSSA-N	365.345	2.272	10	10	FECE	
CCc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(N3CCC(O)CC3)cc1)CC2	180610086	FNWBWJISKOLXRK-WBVHZDCISA-N	369.513	2.467	10	10	FECE	
CC(=O)N1CCC[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	98076534	LJVMVYHNXVDIEK-WOJBJXKFSA-N	373.497	2.271	10	10	FECE	
C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)[C@@H]2CCCC[C@@H]12	248395713	YYHAOCXWWCVNTK-OSAQELSMSA-N	352.456	2.414	10	10	FECE	
O=C(NCc1cccc(Br)c1O)N[C@@H]1CCNC12CCC2	529356032	YSKAAZLUCZVCID-GFCCVEGCSA-N	354.248	2.239	10	10	FECE	
Cc1ccc(-n2c(C)cc(/C=C\C(=O)NCCOCC(N)=O)c2C)cc1	255596323	RMTVSOJLSSPPAH-TWGQIWQCSA-N	355.438	2.034	10	10	FECE	
CN(C)S(=O)(=O)c1ccc(NCCc2ccc(N)cc2)c([N+](=O)[O-])c1	261680170	MRJWEJABFJUQFT-UHFFFAOYSA-N	364.427	2.082	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)Cc1ccnn1C	278669075	SQAGOMLEBSSYRD-UHFFFAOYSA-N	352.232	2.479	10	10	FECE	
COc1cc(NC(=O)C(=O)NCc2ccccc2O)cc2cccnc12	815451333	JITCWWYZOZHMRU-UHFFFAOYSA-N	351.362	2.204	10	10	FECE	
COc1ccc(N2CC[C@@H](CNc3ccnc(N4CCOCC4)n3)C2)cc1	819934029	BNWRSNCIWHURNI-INIZCTEOSA-N	369.469	2.260	10	10	FECE	
Cn1cnnc1[C@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1	900180887	VMHZLPARKGZBIJ-JTQLQIEISA-N	358.423	2.461	10	10	FECE	
Cc1cc(CCNC(=O)C(=O)Nc2ccnn2C)c(C)n1-c1ccccc1	746354651	WTUZPYFLWKRDSG-UHFFFAOYSA-N	365.437	2.125	10	10	FECE	
CN1C(=O)N(Cc2ccc(N3CCOCC3)cc2)C(=O)[C@@H]1c1cccnc1	924482892	LKWKRWWAZOEZMY-SFHVURJKSA-N	366.421	2.054	10	10	FECE	
CCC(C)(C)C(=O)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	924251750	DZJSYGDCYBEKDP-UHFFFAOYSA-N	359.470	2.010	10	10	FECE	
CCOCCOCCNC(=O)NCc1cc(Br)ccc1O	927536827	NXPSCPHQSZDTJL-UHFFFAOYSA-N	361.236	2.007	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)N3CC4CC3(C)C4)CC2)cc1	853248045	KNGQIFHRQDCEEF-UHFFFAOYSA-N	372.513	2.401	10	10	FECE	
O=C(O)CN1CC[C@@H](N2CCCc3cc(OC(F)(F)F)ccc32)C1=O	852725804	PFUPFBORSABUBS-CYBMUJFWSA-N	358.316	2.023	10	10	FECE	
C[C@H](NC(=O)NCCN1C[C@H]2CCCCN2C1=O)c1ccc(N(C)C)cc1	852261938	WOBUIUMPLXJYFI-MAUKXSAKSA-N	373.501	2.403	10	10	FECE	
Cc1cc(CCNS(=O)(=O)c2ccnn2C)c(C)n1-c1ccccc1	765095141	YSKQLGWAGRVZDG-UHFFFAOYSA-N	358.467	2.349	10	10	FECE	
COc1ccc(N2CC[C@H](CNS(=O)(=O)C[C@@H]3CCC3(F)F)C2)cc1	867428281	IJPQDNZXHCEQKC-KGLIPLIRSA-N	374.453	2.486	10	10	FECE	
C[C@@H](Sc1nc(CC(=O)N(C)Cc2ccccc2O)cs1)C(N)=O	878276674	IZFGOTHIEGVBHH-SNVBAGLBSA-N	365.480	2.016	10	10	FECE	
COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc3oc(C)nc3c2)c1	774246703	JQUBLTJBNYHTNW-UHFFFAOYSA-N	355.350	2.105	10	10	FECE	
Cc1nc2cc(NC(=O)C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)ccc2o1	785292905	CBRJSTYTAYXWGU-SNVBAGLBSA-N	369.377	2.233	10	10	FECE	
CCOC(=O)c1csc(CCNC(=O)/C=C/c2ccc(O)c(O)c2)n1	787462722	TTWZNDKHGSRXHS-GQCTYLIASA-N	362.407	2.103	10	10	FECE	
COC(=O)[C@H]1C[C@@H](O)CN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1	1329340489	WAULCEOPYIXIRH-PKOBYXMFSA-N	370.449	2.019	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)NCc2c(O)cccc2F)C1	1251584624	IGZSLKYHIOVBKZ-XYPYZODXSA-N	353.394	2.386	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)NC1CCN(c2ccccc2)CC1	1345342707	GBSHIKVATJVPRN-UHFFFAOYSA-N	367.449	2.136	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)C(=O)N3CCOCC[C@@H]3C)cc2)CC1	1351070065	MTOIEBMGBRRDHU-KRWDZBQOSA-N	373.497	2.177	10	10	FECE	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1ccnnc1)c2[N+](=O)[O-]	1535451989	XCVVAPQHOBEFCG-UHFFFAOYSA-N	374.312	2.413	10	10	FECE	
C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H]1CN(Cc2ccccc2)CCO1	1565905866	CSJLSBGUJJWKSC-QRWLVFNGSA-N	370.449	2.046	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1nc2cc(Br)cnc2[nH]1	1636239888	VUMPINVXKLAPAW-UHFFFAOYSA-N	363.171	2.313	10	10	FECE	
Cc1cc(CN2CC[C@@H](CNS(C)(=O)=O)C2)ccc1N1CCCCC1	1560126057	WNJHUBASRBEOCU-SFHVURJKSA-N	365.543	2.356	10	10	FECE	
CC(C)(C)OC(=O)NC1CC(CC(=O)NCc2c(O)cccc2O)C1	1597579695	QQZYLYKLZIVSPN-UHFFFAOYSA-N	350.415	2.407	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCC[C@H](N=[N+]=[N-])C2)CC1	2124541707	VSNJVUVQKHSTBP-ZDUSSCGKSA-N	367.450	2.440	10	10	FECE	
CC(C)(C)OC(=O)NCc1ncc(NCc2ccc(O)c(O)c2O)cn1	2134936122	QZFQSCKZKFPRTN-UHFFFAOYSA-N	362.386	2.230	10	10	FECE	
CO[C@H]1C[C@@H](C(=O)NCc2cccc(C)c2O)N(C(=O)OC(C)(C)C)C1	2139741700	ODOZYYBEGOBLSH-GJZGRUSLSA-N	364.442	2.341	10	10	FECE	
Nc1ccc(CS(=O)(=O)NCc2ccc(Br)cn2)cc1	1927126290	JTYKCURCISHUEH-UHFFFAOYSA-N	356.245	2.046	10	10	FECE	
O=C(N[C@H]1COCC[C@H]1NCc1cccc(O)c1O)OCc1ccccc1	1943953741	WLUZXCRBMOQJMQ-SJORKVTESA-N	372.421	2.271	10	10	FECE	
O=C(O)C[C@H]1CN(Cc2cc(Cl)cc(Br)c2O)C[C@H]1O	2174355764	QAJFMDPAWZVMBX-WRWORJQWSA-N	364.623	2.076	10	10	FECE	
COc1ccc(N2C[C@H](OC)C[C@@H]2CNC(=O)OC(C)(C)C)c(N)c1	2044767996	BFJMDUURFUNZSZ-TZMCWYRMSA-N	351.447	2.396	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1NC(=O)c1ccn(-c2ccc(N)cc2)n1	2185072070	RSTXVEYZFYKLQP-HUUCEWRRSA-N	371.441	2.240	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]1(C(=O)N2CC[C@H](N=[N+]=[N-])C2)CCCOC1	2060615651	QPIFWQYSCOFPKC-LRDDRELGSA-N	353.423	2.219	10	10	FECE	
CSc1ncc(CN[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2O)s1	2243788624	UYHDBBBDHMAIHD-JLLWLGSASA-N	359.517	2.371	10	10	FECE	
Cc1ccc(C=C2SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)cc1	2293039604	SBQDEPSIAOXZNK-JTQLQIEISA-N	351.405	2.124	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)NC[C@@H](CO)c1ccccc1	2298153708	ZGIWWRQPARKWNB-FQEVSTJZSA-N	366.461	2.429	10	10	FECE	
COc1ccc([C@@H](C)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(O)c1	2310412575	INUBTTRNQKSKGM-XFJVYGCCSA-N	352.431	2.032	10	10	FECE	
Cc1cc(C(=O)OCc2nc(N)nc(N(C)C)n2)c(C)n1-c1ccccc1	10394683	ZAIGKRHFCXVXBL-UHFFFAOYSA-N	366.425	2.284	10	10	FECE	
COc1cccc(C(=O)Nc2cc(N3CCN(C=O)CC3)ccc2OC)c1	62160211	PIBFPXGQTYUMLU-UHFFFAOYSA-N	369.421	2.235	10	10	FECE	
O=C(CCn1c2c(c3ccccc31)CCCC2)NC[C@@H]1CN2CCN1CC2	1850341131	QXLOKRJCBIOREU-QGZVFWFLSA-N	366.509	2.026	10	10	FECE	
CC(C)N1C[C@H](C)[C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1	246779078	CIMCPRVGQJMAOL-FXAWDEMLSA-N	374.529	2.393	10	10	FECE	
Cc1ccc(C)n1[C@@H](CC(=O)NC1=NCCO1)c1ccc([N+](=O)[O-])cc1	1853047589	LKZSJILSXFEIAS-INIZCTEOSA-N	356.382	2.495	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)C(=O)NCC[C@@H]3CCOC3)cc2)CC1	805024890	WYBIMHZTKDGSRT-GOSISDBHSA-N	373.497	2.082	10	10	FECE	
CC(C)(CCN)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	817876036	GWVPRXNKUCYDHM-UHFFFAOYSA-N	373.545	2.145	10	10	FECE	
NC(=O)c1ccc(NC(=S)Nc2cccc(N3CCOCC3)c2)cc1	726471520	OZGDSFZUACDACR-UHFFFAOYSA-N	356.451	2.431	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](F)C(=O)OC)ccc21	838065744	ADBHOMWNGAXYKQ-HNNXBMFYSA-N	350.390	2.145	10	10	FECE	
Nc1ccc(CCNC(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)cc1	841854769	DRKKOKOJLRVPKN-OAHLLOKOSA-N	359.861	2.438	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)c3ccc4c(c3)CCO4)C2)cc1	849415920	HUSOUKHGYFVJAU-OAHLLOKOSA-N	374.462	2.187	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)c3cccc4c3OCC4)C2)cc1	849417244	NIZQDUWXSJJWSP-OAHLLOKOSA-N	374.462	2.187	10	10	FECE	
CC(C)N1CC[C@H](C(=O)NCc2c(O)cccc2F)[C@@H](c2cnn(C)c2)C1	928712546	RVOBPWBAYNFFLO-DOTOQJQBSA-N	374.460	2.395	10	10	FECE	
COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	855222813	AUWWBMYEPBSIFD-PBHICJAKSA-N	363.458	2.161	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@@H](C)Cc4c[nH]nc43)C2)cc1	857871580	SJDUOPNFTCMKIC-DHSIGJKJSA-N	354.454	2.479	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3cccc(C)c3)C2)cc1	850536162	HTHURNVBGICPIR-INIZCTEOSA-N	353.422	2.337	10	10	FECE	
COc1ccc(N2CC[C@H](CNS(=O)(=O)CC3(OC)CCC3)C2)cc1	867429103	VNLJDYDVFFHZBS-OAHLLOKOSA-N	368.499	2.010	10	10	FECE	
Cc1ccc(C(=O)NCc2cnn(C)n2)cc1-n1c(C)cc(C=O)c1C	861697150	MDDNSEFTDMAHEJ-UHFFFAOYSA-N	351.410	2.274	10	10	FECE	
CC(C)[C@H](OC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2)C(N)=O	769664800	JXCBUELGYPGHNK-FQEVSTJZSA-N	371.481	2.461	10	10	FECE	
O=S(=O)(C1CN(Cc2cc(F)ccc2O)C1)N1CCc2ccccc21	779624725	RGLRDECLZFARAA-UHFFFAOYSA-N	362.426	2.108	10	10	FECE	
CC[C@H](COCC1CC1)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	1118630723	FMXZPFMTTPUVCM-RHSMWYFYSA-N	361.486	2.251	10	10	FECE	
COC(=O)[C@H](C[C@H]1CCCO1)NCc1cccc(Br)c1O	895863767	NJYCIKAXMUKKKW-YPMHNXCESA-N	358.232	2.355	10	10	FECE	
CN(CC(=O)N(Cc1ccco1)Cc1ccccc1O)[C@@H]1CCC[C@H]1O	1149858017	WDMSQSCMZMCOSD-IEBWSBKVSA-N	358.438	2.359	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC[C@H](C(=O)NC3CC3)C2)c([N+](=O)[O-])c1	1318112919	ATJOBTZMSDBMJZ-UQYHUFHVSA-N	373.409	2.276	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccoc1C1(O)CCOCC1	1624953929	CCEVBULUOILDPH-LBPRGKRZSA-N	361.394	2.050	10	10	FECE	
CC(C)(C)OC(=O)CC1(C(=O)NCc2cc(O)ccc2O)CCOCC1	1633599192	RICJLCIOQLCOQE-UHFFFAOYSA-N	365.426	2.243	10	10	FECE	
CN(C)c1ccc(CN(Cc2ccco2)c2cc(C(N)=O)ncn2)cc1	1651615400	YQCZUURPOCINBZ-UHFFFAOYSA-N	351.410	2.441	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(C(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2124509651	OOSTUQUMINJEGU-IIYDPXPESA-N	365.434	2.314	10	10	FECE	
Cn1c(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)cnc1CNC(=O)OC(C)(C)C	2124539584	XHUMNAJSFZIVIW-LLVKDONJSA-N	363.422	2.217	10	10	FECE	
CO[C@@H](C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C(=O)OC(C)(C)C	1597800918	SGYFCYJBGDBQOZ-YOEHRIQHSA-N	364.486	2.465	10	10	FECE	
CC(C)c1nc2n(n1)C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)CC2	158087660	BYDRIIFYFIRZBZ-CQSZACIVSA-N	374.464	2.421	10	10	FECE	
O=C(NC1(C(=O)O)CC(c2cc(O)nc(O)c2)C1)OCc1ccccc1	1952871720	BXAFNMRRGKVDPT-UHFFFAOYSA-N	358.350	2.120	10	10	FECE	
C[C@@H](NC(=O)[C@@H](O)C(C)(C)NC(=O)OC(C)(C)C)c1ccccc1O	2072475287	DZEHKZOXGFBIBQ-BXUZGUMPSA-N	352.431	2.234	10	10	FECE	
CSc1ncc(CNC(=O)C[C@H](N)COCc2ccccc2)s1	2243796269	WXMFJBLVJYPUKL-ZDUSSCGKSA-N	351.497	2.415	10	10	FECE	
Cc1nn(C)cc1[C@@H](C)NC(=O)C=Cc1ccc(N2CCOCC2)cc1	2297505722	VAIQYWMYDNREOA-OAHLLOKOSA-N	354.454	2.456	10	10	FECE	
CN1CCO[C@H]2CN(Cc3cc(Cl)cc(Br)c3O)C[C@H]21	1141368915	GHXDUCGGCGFRFG-OLZOCXBDSA-N	361.667	2.323	10	10	FECE	
COc1ccc(OC)c(CN2C(=O)NC(=O)/C(=C/c3cccs3)C2=O)c1	104144492	RXIARSBWMFWQJE-ZROIWOOFSA-N	372.402	2.427	10	10	FECE	
CCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(C)C1=O	59860577	AUXYLLRHWNCLNZ-DHZHZOJOSA-N	367.199	2.330	10	10	FECE	
COc1ccc(N2CCN(C=O)CC2)cc1NC(=O)CCc1ccco1	62324887	BCGDQZYQSDQKAO-UHFFFAOYSA-N	357.410	2.138	10	10	FECE	
CC[C@@H](NCCNS(=O)(=O)c1cccnc1)c1ccc(N(C)C)cc1	90583979	XKUNLILSHWTRPB-GOSISDBHSA-N	362.499	2.167	10	10	FECE	
C[C@@H]1C[C@H](NC[C@]2(CO)COCC3(CCC3)N2C)c2c(O)ccc(F)c21	527955334	NPAPXKCTMJYPBR-AFBRZQFHSA-N	364.461	2.285	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CCC[C@H](S(=O)(=O)N(C)C)C2)c1O	285474261	CGRKXBSJNBESQR-AWEZNQCLSA-N	374.890	2.104	10	10	FECE	
CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)[C@@H](C)C1	807673901	BBPIYRCPZIUDSP-FCEWJHQRSA-N	374.529	2.119	10	10	FECE	
C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1cc2c(cc1O)OC[C@H]2O	808236273	BRMZXCYTKXQCIC-HZUKXOBISA-N	364.442	2.306	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC[C@H]1CCOC1	807323529	PEPBSJRCUVFAED-KRWDZBQOSA-N	361.486	2.032	10	10	FECE	
Cc1cc(COCC(=O)NCc2cc(Br)ccc2O)on1	804734479	NFMZDKPAFPRRDQ-UHFFFAOYSA-N	355.188	2.284	10	10	FECE	
CCn1c(C(=O)NCc2cc(OC)ccc2O)cnc1Br	901131446	MHULCPDUUPXDFI-UHFFFAOYSA-N	354.204	2.310	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3CC[C@H]3C(=O)O)cc2F)C[C@H](C)O1	901961857	WXYVZBOELSVJNR-DDHJSBNISA-N	364.417	2.166	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N2C[C@H]3CCCN3c3ccccc32)c1	731971883	FUAALPILOAPPJU-KBOKABMXSA-N	362.433	2.470	10	10	FECE	
C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	837032980	XQLAZTRFJINCFZ-KTLBGCOUSA-N	358.360	2.454	10	10	FECE	
COC(=O)c1cnc(CNC(=O)NCc2ccc3c(c2)CCCN3C)s1	915389697	CJXPZZGQIYBZGX-UHFFFAOYSA-N	374.466	2.312	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@H]1CNc2ccccc2C1)c1ccc(N(C)C)cc1	846342769	HCGKESSWHABYDE-WMLDXEAASA-N	366.465	2.083	10	10	FECE	
COC1(C[C@@H]2NC(=O)N(Cc3ccc4c(c3)CCCN4C)C2=O)CCC1	844720356	MLGBFIPQWADZHP-INIZCTEOSA-N	357.454	2.449	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCc3nnn(C)c3C2)cc1	927847162	HFSSAQNGWZEGOL-MRXNPFEDSA-N	370.501	2.360	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCC3(CF)CCOCC3)C2)cc1	852369639	ZMHBNHOLNSJNKW-OAHLLOKOSA-N	365.449	2.339	10	10	FECE	
Cc1cc(CCNC(=O)N2CCOC[C@@H]2CCO)c(C)n1-c1ccccc1	758314452	CADVOXRVMYNLTG-FQEVSTJZSA-N	371.481	2.429	10	10	FECE	
O=C(NCc1c(O)cccc1F)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1	921681937	ZJZBSOJJTLRZIC-HNNXBMFYSA-N	371.412	2.379	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NC[C@H]2COCCN2C)c1O	858522897	KYSUHZGLZGDLIR-PWSUYJOCSA-N	359.264	2.145	10	10	FECE	
CN(c1ccc(CN)cc1Br)[C@H]1CCCS(=O)(=O)CC1	694207783	OTCLPPAUXNJGKI-LBPRGKRZSA-N	361.305	2.311	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N(C)CC3(N(C)C)CCC3)C2)cc1	852452531	ZMOFRTBSEMALSO-MRXNPFEDSA-N	360.502	2.400	10	10	FECE	
CNS(=O)(=O)c1ccc(CCN[C@H](C)c2ccc(F)cc2O)cc1	866577654	GEQCNKBORLFGNQ-GFCCVEGCSA-N	352.431	2.333	10	10	FECE	
COc1cccc(CNC(=O)C2(NC(=O)OCc3ccccc3)CC2)c1O	860240649	JNNFINLRVJPVMV-UHFFFAOYSA-N	370.405	2.476	10	10	FECE	
C[C@@H](NC(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21)c1ccccc1O	868657233	ZMAVWFZRLSCOHW-CHWSQXEVSA-N	360.435	2.324	10	10	FECE	
C[C@H](NC(=O)[C@H]1COC[C@H]1N(C)C(=O)OC(C)(C)C)c1ccccc1O	1877568700	VKIAOEZOAKPMNV-AEGPPILISA-N	364.442	2.451	10	10	FECE	
CC1(C)CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@@]2(CCOC2)O1	793361433	HSKOHBMRRVTJDL-HXUWFJFHSA-N	364.461	2.432	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)[C@](C)(O)Cn2ccccc2=O)cc1	790485161	ZFBSBDCVAFZVQQ-OAQYLSRUSA-N	371.481	2.104	10	10	FECE	
COC(=O)[C@](C)(NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)cc1	794712776	SEXBDBNCSRXPGZ-OFCRBKOVSA-N	359.353	2.455	10	10	FECE	
CN1CC[C@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)[C@@H]2CCC[C@@H]21	796703432	VBDOBKUFXZXBQT-VMXMFDLUSA-N	370.541	2.351	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)N2CC(C)(C)[C@H]3COC[C@H]32)N(C)C)cc1	1313409290	BVJMTUOYLOTSMW-IPMKNSEASA-N	374.529	2.422	10	10	FECE	
CCOc1cccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1O	2116269136	LVUOWKGSCQDQJS-LSDHHAIUSA-N	366.458	2.251	10	10	FECE	
CCOC(=O)[C@@H](c1cccnc1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1	1471821013	SOLKUBIYCGPAMQ-YPLUBFQTSA-N	356.378	2.269	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c(C)nnc1N(C)CCNC(=O)C(C)C	1611963761	ZPZLKRHHNYXOEV-UHFFFAOYSA-N	372.517	2.218	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)CNc1ccccc1C(N)=O	1540567632	UAXMDEHYHCYGOM-UHFFFAOYSA-N	366.465	2.456	10	10	FECE	
CN(C(=O)Cc1ccc(O)c(O)c1)[C@H](CNC(=O)OC(C)(C)C)C1CC1	1556284686	KZYRQOTYPRRUOG-CQSZACIVSA-N	364.442	2.402	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCCNc3ccc(C)cn3)C2)cc1	1636854143	SZXTZYNTGNOKJW-MRXNPFEDSA-N	369.469	2.389	10	10	FECE	
CC(C)(C)OC(=O)NC12CC(C(=O)NCCc3ccc(O)c(O)c3)(C1)C2	2124218706	BJUVIPDFNXUUTK-UHFFFAOYSA-N	362.426	2.204	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cccc(F)c3N)cc2)C1	1597004766	WEWUJCHXLZKMTL-CQSZACIVSA-N	370.428	2.040	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)NCC3(CO)CCCCC3)cc2)CC1	1675580463	NXTSHAACGVGABZ-UHFFFAOYSA-N	374.529	2.180	10	10	FECE	
Nc1ccc(OCC(=O)Nc2ncccc2I)cc1	2137730591	KDNOTNKNJBMLDR-UHFFFAOYSA-N	369.162	2.286	10	10	FECE	
CC(C)(C)OC(=O)N1CC(NCc2cccc(Cl)c2O)(C(=O)O)C1	1913942378	DESBBCRTOLJLNH-UHFFFAOYSA-N	356.806	2.209	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccc(N)cc1)[C@@H](O)C(C)(C)C	2136279890	KBMYIIWIZLIJBD-HUUCEWRRSA-N	365.474	2.185	10	10	FECE	
COc1cccc(N(C)C(=O)C2=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)c1	2136284303	CXJWUPSVCMLRCI-JKSUJKDBSA-N	362.426	2.242	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@]1(C)COCCN1C(=O)OC(C)(C)C	2136513655	YHYOONHZPKCFQA-LJQANCHMSA-N	364.442	2.377	10	10	FECE	
Nc1ccc(CCC(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cc1	2153983171	NIKQDTITXXXYTJ-RTWAWAEBSA-N	365.477	2.313	10	10	FECE	
O=C(O)CN1CC[C@@H](NCc2cc(Cl)cc(Br)c2O)C1	2169326439	BKDDIOKEFAZHRE-SNVBAGLBSA-N	363.639	2.057	10	10	FECE	
CCS(=O)(=O)[C@H]1CCN(c2ccc(CN)c(Br)c2F)C1	2179891171	SVBGKWQQQUEJBM-JTQLQIEISA-N	365.268	2.060	10	10	FECE	
CN(C)c1ccc([C@@H](CN)N2CCC(CNC(=O)C(F)(F)F)CC2)cc1	2194864028	PEOHFJMMIMFUFO-MRXNPFEDSA-N	372.435	2.143	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])O1	2060633531	OTHLUGVSIDBBAL-AVGNSLFASA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@]1(C)CCNC(=O)c1cc(O)c(O)c(O)c1	2225551311	NAOCOSLUAXUVPL-GOSISDBHSA-N	366.414	2.323	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc3c(c2)OCCO3)C[C@H]1CO	2226763791	BZLFPWIHYHMRGH-DZGCQCFKSA-N	364.442	2.170	10	10	FECE	
C[C@H]1O[C@]2(C(=O)N3CC[C@@H](N=[N+]=[N-])C3)C[C@@]1(NC(=O)OC(C)(C)C)C2	2254811183	MYAUXFLWBCVCSK-HOJOPBEUSA-N	351.407	2.112	10	10	FECE	
CC1CCN(CCNC(=O)C=Cc2ccc(N3CCOCC3)cc2)CC1	2297505792	KWQWVJYNNPEDGD-UHFFFAOYSA-N	357.498	2.385	10	10	FECE	
COc1ccc(N2CCN(Cc3cc(-c4cnn(C)c4)no3)CC2)cc1	184973252	XAQGSDIDZYXMNH-UHFFFAOYSA-N	353.426	2.406	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)c1cc(F)cc2nn[nH]c12	804735640	CCQJHNDLVHACJJ-UHFFFAOYSA-N	365.162	2.495	10	10	FECE	
CN(CCCN(C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)Cc1ccco1	804840164	AXXORYWOKSDEHY-UHFFFAOYSA-N	374.397	2.477	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCc2cnn(C)n2)C1	802979605	FRCFGWHBSZMONA-UHFFFAOYSA-N	367.453	2.280	10	10	FECE	
C[C@@H](N[C@H]1CCC(=O)N(C)C1=O)c1cc(Br)c(F)cc1O	818360735	BTNFXTMWUFLTCX-HQJQHLMTSA-N	359.195	2.092	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N(C3CC3)[C@@H]3CCNC3)C2)cc1	818655331	LIYZGPIHVKAJOX-MAUKXSAKSA-N	358.486	2.057	10	10	FECE	
CCOC(=O)C(F)(F)[C@H](N)c1c(Br)ccc(C(=O)O)c1O	725274868	SOGPIMBFIOEQNA-SECBINFHSA-N	368.130	2.051	10	10	FECE	
COc1ccc(N2CCN(C(=O)COC(=O)[C@@H]3CCC[C@H]4C[C@H]43)CC2)cc1	849860153	SXNJIAHPPVEQEB-KFKAGJAMSA-N	372.465	2.323	10	10	FECE	
NCC(=O)N1CCC[C@H](CN2CCCc3cc(OC(F)F)ccc32)C1	841011254	FYVZGPHJKWYCSH-CYBMUJFWSA-N	353.413	2.238	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1C[C@@H]2[C@@H](C1)C2(F)F	844896527	CCNFNEOFUPJTPI-ZIAGYGMSSA-N	369.387	2.193	10	10	FECE	
COCCN(C)CCN[C@@H](C)c1cc(Br)cc(OC)c1O	848524337	DLKXVGJARMTUOL-NSHDSACASA-N	361.280	2.392	10	10	FECE	
COc1ccc(CNC[C@]2(CO)COCCN2Cc2ccccc2)cc1C	850396176	QZBBDMGSUAZGTL-QFIPXVFZSA-N	370.493	2.357	10	10	FECE	
CN(C)c1ccc(CN2CCc3sc(S(N)(=O)=O)cc3C2)cc1	852733702	WTRQSWIVNIZYRJ-UHFFFAOYSA-N	351.497	2.020	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)c2cn(C[C@H]3CCOC3)nn2)cc1	858201697	TVPYCMNZIJZTGY-QGZVFWFLSA-N	371.485	2.433	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc4nc(O)[nH]c4c3)C2)cc1	855230404	CYMYPWKNKNXZHC-ZDUSSCGKSA-N	352.394	2.286	10	10	FECE	
OC[C@]1(CN[C@H]2CCc3cccc(O)c32)COCCN1Cc1ccccc1	850556041	QIVBDEZWRTWIQN-SIKLNZKXSA-N	368.477	2.233	10	10	FECE	
C[C@@H](NC(=O)N1C[C@]2(C)CNC[C@]2(C)C1)c1ccc(N2CCOCC2)cc1	861566233	IQDWICMPWYLENV-HBGVWJBISA-N	372.513	2.225	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](O)C1CCOCC1	769291371	OVEPIUOACKTBLH-HNNXBMFYSA-N	372.259	2.291	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC[C@@H]2COCCO2)C1	774083724	RGZXSFWVWOIDFL-INIZCTEOSA-N	372.465	2.366	10	10	FECE	
COCc1ncc2c(n1)CCN(Cc1ccc(N3CCC(O)CC3)cc1)C2	895417312	XFVCQCZHAWHYSZ-UHFFFAOYSA-N	368.481	2.142	10	10	FECE	
OC[C@]1(C(F)(F)F)CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	895836607	NTRXOUVIJIZADP-INIZCTEOSA-N	362.367	2.409	10	10	FECE	
CC[C@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCCOC1	898463611	KFRPTBJGROGBSA-WMZOPIPTSA-N	361.486	2.032	10	10	FECE	
CN(Cc1cc(Br)cc(F)c1O)C[C@H]1CCS(=O)(=O)C1	1332692799	ZETFRUASNHHBLD-SECBINFHSA-N	366.252	2.160	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1CCCOC[C@H]1CCOC1	1304794466	KHMPLYTVWANGCE-MRXNPFEDSA-N	360.458	2.372	10	10	FECE	
COC[C@@H](C)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1O	1315782206	POTMDOFNCCPYQW-AWEZNQCLSA-N	368.441	2.360	10	10	FECE	
CN(c1ccc(CN)c(Br)c1F)C1CCS(=O)(=O)CC1	694205155	OEUOXNYREARHRL-UHFFFAOYSA-N	365.268	2.060	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)c2cncs2)cc1	1340551628	RSSVHWOQBLNEOD-ZDUSSCGKSA-N	360.483	2.483	10	10	FECE	
C[C@H](NC[C@@H]1C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1cc(O)ccc1O	2116205943	OVVGOXRQMLYESA-VGWHQZGPSA-N	366.458	2.413	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CNC(=O)OCc1ccccc1	1467839489	ANHHJFNXRGQQOK-UHFFFAOYSA-N	363.410	2.421	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccccn3)CC2)c(OC)c1	1530967460	CZFKGXUKQNKAGH-OAHLLOKOSA-N	371.437	2.215	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1	1465266726	WICPOTGLTADHDJ-UHFFFAOYSA-N	374.824	2.165	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)N2CCCc3c(O)ncnc32)C1	1535579186	DSXKVZXESMCFAY-LBPRGKRZSA-N	360.414	2.075	10	10	FECE	
Nc1cc(CCCNC(=O)c2cccc(O)c2O)nn1-c1ccccc1	1629630686	BNTXVEMHAPSIJO-UHFFFAOYSA-N	352.394	2.228	10	10	FECE	
CNS(=O)(=O)CC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1	1566846336	SCODSZFKMNJVGR-AWEZNQCLSA-N	362.451	2.031	10	10	FECE	
C[C@@H](CC(=O)NCc1cc(O)ccc1O)n1cc(Br)cn1	1651225251	BUJMERJXYAYEFA-VIFPVBQESA-N	354.204	2.324	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC(CN=[N+]=[N-])CC1)[C@H]1CCOC1	2124512073	JFWCOOGXPAKKPF-UONOGXRCSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)N1CCC(CN=[N+]=[N-])CC1	2124511508	GUFUBPRRZLCNJQ-HZSPNIEDSA-N	365.434	2.170	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)NC[C@H](O)C3CCCCC3)cc2)CC1	1683699177	UWAZMUMECNIGEG-FQEVSTJZSA-N	374.529	2.179	10	10	FECE	
C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1cccc(O)c1O	1965402006	NHNGXPXCIRDFSB-NSHDSACASA-N	350.415	2.473	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCCC[C@H](CN=[N+]=[N-])C2)C1	2126930292	FMYJBEDCBDSBDE-DYVFJYSZSA-N	367.450	2.297	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)NCCc2ccc(O)c(O)c2)C1	1902306855	LJPQYIXAICWIAR-BFUOFWGJSA-N	362.426	2.014	10	10	FECE	
C[C@@](CC(=O)O)(NC(=O)OCc1ccccc1)c1cc(O)c(O)c(O)c1	1951852966	FROUFYKVKAQZRM-SFHVURJKSA-N	361.350	2.420	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@H]1CCNC(=O)C1	1952346501	MOJLBPMVNCBMCI-STQMWFEESA-N	350.415	2.060	10	10	FECE	
CN(C(=O)[C@@H](N)Cc1ccc(O)c(O)c1)[C@@H]1CC[C@H]1OCc1ccccc1	2156442548	BFDFSFLUSCHMNX-SQGPQFPESA-N	370.449	2.174	10	10	FECE	
Cc1cnn(Cc2ccc([N+](=O)[O-])cc2O)c1I	2070207628	UHTJISYARUVOPN-UHFFFAOYSA-N	359.123	2.458	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](OCCNCc2cccc(O)c2O)C1	2046755113	VCHIEMDVCPQCRO-AWEZNQCLSA-N	352.431	2.213	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(O)[C@@H](N)c1ccc2c(c1)CCN2C	2106857464	LEIGWNGGYVAFBT-VOWSPCBNSA-N	361.486	2.297	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCCN(CC(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])C1	2225794189	CZKPTMGLQDGBLT-RDBSUJKOSA-N	366.466	2.323	10	10	FECE	
COc1ccc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H](CO)[C@H]3C2)cc1F	2227307508	IFNZTQLGQXNAIH-INWMFGNUSA-N	366.433	2.498	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ccc4c(c3)CCO4)C[C@H]2[C@@H]1CO	2227310280	LBHGLZOGRZPSNV-UAGQMJEPSA-N	360.454	2.286	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2(C(=O)N2CCC(N=[N+]=[N-])CC2)C1	2278888304	SUXRYWQLSOVRJY-GUYCJALGSA-N	365.434	2.314	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)NCCNC(=O)c1ccccc1Cl	2307986305	MEDHCXIHENLZOJ-UHFFFAOYSA-N	360.797	2.311	10	10	FECE	
CCOc1ccc(C=C2SC(=S)N(CCNC(C)=O)C2=O)cc1	2323719672	QYIWVMFWRHADHQ-UHFFFAOYSA-N	350.465	2.423	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCO[C@H](c3nc(C)n[nH]3)C2)cc1	175420136	OCPKQWGPFMVPJC-KRWDZBQOSA-N	372.473	2.242	10	10	FECE	
COC(=O)C[C@@H]1CN(C(=O)c2cc(C)n(-c3ccccc3)c2C)CCO1	177756753	WRXKCTRKLABYKP-QGZVFWFLSA-N	356.422	2.498	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)CNC(=O)c2ccccn2)cc1F	172545309	ASTQMXZKSYEGQP-UHFFFAOYSA-N	358.417	2.113	10	10	FECE	
CCCn1nccc1NC(=O)C(=O)NCc1ccc(N(CC)CC)cc1	178801204	YVVPTEISPBDMJO-UHFFFAOYSA-N	357.458	2.394	10	10	FECE	
C[C@H](NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1)c1cc(F)ccc1O	185294593	XWJGGFOTXYRNRR-JEOXALJRSA-N	357.385	2.437	10	10	FECE	
Cc1ccc(-n2c(C)cc(C(=O)CN3C[C@@H](C)O[C@@H](C(N)=O)C3)c2C)cc1	123147484	UTQFRSZUVSJQCE-FOIQADDNSA-N	369.465	2.160	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2C(=O)N1CCc2cc(O)c(O)cc2C1	2366904258	UIHWOQUGRZBIGJ-GRDNDAEWSA-N	374.437	2.238	10	10	FECE	
COc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)c(O)c1	373665340	HGWFCHSQCYFLPM-INIZCTEOSA-N	374.462	2.312	10	10	FECE	
Cc1cc(CO)oc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	283474723	PNIXEYLHKDUHOP-UHFFFAOYSA-N	362.401	2.111	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)C[C@H]1CCCO1	298188554	FEUQXFAMZMLPQP-GOSISDBHSA-N	361.486	2.127	10	10	FECE	
CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)NCCCSc1nccs1	806958336	GTGZFWIQCIXMEL-NWDGAFQWSA-N	361.533	2.083	10	10	FECE	
Cn1ccc(N2CCC[C@H](NCc3cc(Cl)c(F)cc3O)C2=O)n1	293686511	RWLIKLHSPZLLSY-ZDUSSCGKSA-N	352.797	2.203	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCc2nnc(C3CC3)n2C1	645664275	BFZVPHQSKXGTAI-CQSZACIVSA-N	367.453	2.210	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1[C@H]2COC[C@H]21	822517680	DBSIKFCCGBRLCI-FOLVSLTJSA-N	370.371	2.051	10	10	FECE	
Cc1cc(O)c(CN2CCC(C(=O)N3CCOCC3)CC2)c(Cl)c1	840910006	OJHFCSLVEKFPBQ-UHFFFAOYSA-N	352.862	2.425	10	10	FECE	
Nc1ccc(CCNC(=O)N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cc1	841955425	BORLICOXUIOERU-QUCCMNQESA-N	357.429	2.321	10	10	FECE	
Cc1cc(C)cc(-n2c(C)cc(C(=O)CN3C[C@@H](O)C[C@@H](O)C3)c2C)c1	752309578	GPOVMKCPNROHRN-KDURUIRLSA-N	356.466	2.321	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)NCCc2cncc(C)n2)cc1	852606746	LJYHGVJPOIMJHB-UHFFFAOYSA-N	357.458	2.114	10	10	FECE	
COc1ccc(N(C)[C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)cc1F	851808519	OKMDVSXNCYWWKB-AWEZNQCLSA-N	352.406	2.213	10	10	FECE	
COC(=O)C12CC(CN1CC(=O)c1cc(C)n(-c3ccc(F)cn3)c1C)C2	852444434	WCVXXWUVKVLCBA-UHFFFAOYSA-N	371.412	2.448	10	10	FECE	
Oc1c(F)cccc1CN1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1	853249267	OOBYKMJSAFFSNW-CQSZACIVSA-N	359.449	2.044	10	10	FECE	
Cc1cc(Br)cc([C@@H](C)NC[C@]2(OCCO)CCOC2)c1O	850510986	ZANMREMSZGYFLB-MLGOLLRUSA-N	374.275	2.282	10	10	FECE	
C[C@H](NC[C@@]1(CO)COCCN1Cc1ccccc1)c1cc(F)ccc1O	850555168	MRPBKTJRRLRPIU-HRAATJIYSA-N	374.456	2.445	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@H]4CC[C@@H](C3)N4C)C2)cc1	854299396	IFJUUMGPCYBVBV-NUJGCVRESA-N	358.486	2.152	10	10	FECE	
O=C(NCC[S@](=O)CC(F)(F)F)NCc1cc(Cl)ccc1O	852455110	LPWITRIOKAVKFQ-QFIPXVFZSA-N	358.769	2.156	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CN3CCc4ccccc43)C2)cc1	855229149	IFGNCTMZDYHJGV-QGZVFWFLSA-N	351.450	2.453	10	10	FECE	
CNS(=O)(=O)c1ccc(CCN[C@H](C)c2cc(F)cc(F)c2O)cc1	866578060	IJGLSOJDUNLGGP-LLVKDONJSA-N	370.421	2.472	10	10	FECE	
Cc1cc(Cl)cc(CN[C@@H]2CCN(c3ccc4nncn4n3)C2)c1O	862481197	CKTRFFSCLUXJSR-CQSZACIVSA-N	358.833	2.160	10	10	FECE	
COc1cc(Br)cc(CN2CCN(C(C)=O)C[C@@H]2C)c1O	769448571	UOPAUTYUOKFSBT-JTQLQIEISA-N	357.248	2.216	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)NCc2ccccc2O)C[C@@H](O)C1(C)C	1878976665	OWRDGXAUGDPXQD-AUUYWEPGSA-N	364.442	2.063	10	10	FECE	
CC(=O)c1cncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1	891243554	QEXYJJORHCUMAN-LJQANCHMSA-N	354.454	2.383	10	10	FECE	
C[C@@H](C1CC1)N(C)S(=O)(=O)NCc1cc(Br)ccc1O	796191144	OQGXJHRXPWAMIO-VIFPVBQESA-N	363.277	2.219	10	10	FECE	
CN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1	795654666	UVSACNIKJAKOOX-OAHLLOKOSA-N	370.515	2.251	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN(C)CC(C)(C)C)CC2)c(OC)c1	1169974590	LIAITSLPLICJEA-UHFFFAOYSA-N	363.502	2.330	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@@H]1CCCCN1C(=O)c1cccs1	1176748586	XAWSNLWKTKZNMA-AWEZNQCLSA-N	360.435	2.470	10	10	FECE	
CCN(CCS(C)(=O)=O)c1ccc([C@H](C)O)cc1Br	688521783	XPYLYJQKJSKVSH-JTQLQIEISA-N	350.278	2.373	10	10	FECE	
CN1CCCc2cc(CNC(=O)C(=O)NC[C@H]3C(C)(C)C3(F)F)ccc21	1330413841	XKOOHKRVQWKUNZ-HNNXBMFYSA-N	365.424	2.093	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@](CO)(C(C)C)C3)C2)cc1	1261662568	RENACKXHEZHIRK-OXJNMPFZSA-N	361.486	2.324	10	10	FECE	
O=C(NCc1ccc(O)cc1O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1	1299574012	NKHXBECAXQDYJA-NSHDSACASA-N	362.332	2.045	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc([C@@H]2CC(=O)NC(=O)N2)cc1	1453975488	JZGOZAOZXXJMPZ-LPSTVZDBSA-N	367.361	2.020	10	10	FECE	
COC(=O)c1ccn(CC(=O)NCc2cc(C)n(-c3ccccc3)c2C)n1	1534768553	WPPRLFDIRVEKCB-UHFFFAOYSA-N	366.421	2.394	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c(CC2CC2)nnc1N1CCOCC1	1611964007	JIYGJLLDKZDBFX-UHFFFAOYSA-N	355.486	2.490	10	10	FECE	
O=C(NCc1c(O)cccc1F)c1ccc(I)cn1	1638863628	NWBHNLAIUYFOMG-UHFFFAOYSA-N	372.137	2.461	10	10	FECE	
CCc1nnc(N(C)[C@H]2CCOC2)n1Cc1ccc2c(c1)CCCN2C	1744535718	MILRBYWNKQYFGT-KRWDZBQOSA-N	355.486	2.496	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C	2124152707	BVRYGYUDFGCWIR-GUTXKFCHSA-N	364.442	2.282	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H]1COCC[C@@H]1NC(=O)OC(C)(C)C	2124295328	NJZDDXMETIWZLZ-CABCVRRESA-N	364.442	2.280	10	10	FECE	
Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCc2ccccc2O)cn1	2124476519	GOGAKUDGGLQLBF-OAHLLOKOSA-N	360.414	2.008	10	10	FECE	
Cn1cc(C(=O)NCC2(CN=[N+]=[N-])CC2)nc1CNC(=O)OC(C)(C)C	2124539736	YVOFOLJJROKBFY-UHFFFAOYSA-N	363.422	2.265	10	10	FECE	
Cc1cc(CCNC(=O)NCCN2CC[C@@H](O)C2)c(C)n1-c1ccccc1	1684321626	BUCZJYBSNSSRMM-HXUWFJFHSA-N	370.497	2.002	10	10	FECE	
C=CC(=O)NCCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	161423525	NHVAMQBEYLZBJD-UHFFFAOYSA-N	367.396	2.065	10	10	FECE	
O=C(O)[C@@H](Cc1cnc[nH]1)N1C(=O)/C(=C\c2ccccc2)SC1=S	1858587365	XMKOZRNKYYKZFU-FIKOHSHLSA-N	359.432	2.307	10	10	FECE	
Cc1cccc(CNCC2=NO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1O	2139758660	STDUZNWQTPYVQQ-GOEBONIOSA-N	361.442	2.412	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)NCc2ccccc2O)CO1	1969153909	FWBIGNRVHZPTLK-OCCSQVGLSA-N	350.415	2.033	10	10	FECE	
O=C(O)[C@H]1CN(Cc2cc(Br)cc(F)c2O)CC1(F)F	715792101	OEPGKRUOHQCATB-MRVPVSSYSA-N	354.122	2.446	10	10	FECE	
CN1CCc2cc([C@H](N)[C@@]3(O)CCC34CN(C(=O)OC(C)(C)C)C4)ccc21	2179699120	BCSOUISDITYHLO-UWJYYQICSA-N	373.497	2.441	10	10	FECE	
C[C@@H](N)c1ccc(N(CCS(C)(=O)=O)C2CC2)c(Br)c1	2170164170	RMTFVTWACUKIGI-SNVBAGLBSA-N	361.305	2.482	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)[C@H]1C[C@@H]2C[C@@H]2C1	2052124233	HBQLLVWKBFWCQS-DPHWGNNJSA-N	350.459	2.191	10	10	FECE	
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2060635651	NXGREMBONKJOPP-RWMBFGLXSA-N	353.423	2.312	10	10	FECE	
Nc1ccc(CNS(=O)(=O)c2ccc(Br)cc2N)cc1	2191635843	BYZSCGPBJDNOBD-UHFFFAOYSA-N	356.245	2.092	10	10	FECE	
CC(C)(C)OC(=O)NCCOCCCNC(=O)CCc1ccc(N)cc1	2111813161	MLMYUUSJSWSQFA-UHFFFAOYSA-N	365.474	2.249	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)COc2ccc(N)cc2)C2(CC2)C1	2106733441	CZDYUKPHLQRXRQ-UHFFFAOYSA-N	361.442	2.260	10	10	FECE	
CN1CCc2cc([C@H](N)[C@](C)(O)C3CN(C(=O)OC(C)(C)C)C3)ccc21	2106844028	OLQUDMFVQOJDKZ-FXAWDEMLSA-N	361.486	2.297	10	10	FECE	
COC(=O)CCN1C(=O)C(=Cc2ccc(O)c(OC)c2)SC1=S	2293069320	HYNXHBUTKYOISB-UHFFFAOYSA-N	353.421	2.165	10	10	FECE	
C[C@H](O)[C@@H](C(=O)O)N1C(=O)C(=Cc2c[nH]c3ccccc23)SC1=S	2323823485	MBLOVSPLEFDDTJ-SDBXPKJASA-N	362.432	2.203	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCC[C@H](N=[N+]=[N-])C3)CO[C@@H]1C2	2334199746	COBHLXSPUZIEEB-ZBYUQBLASA-N	365.434	2.360	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)NC[C@@H]3CN(C)CCO3)c2C)cc1	194619612	MXOGHJPGMFIATG-GOSISDBHSA-N	357.454	2.163	10	10	FECE	
O=C(N[C@H]1CCNC12CCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1	529360867	UKZDQCPSVBLZSL-WMZOPIPTSA-N	359.470	2.367	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H]3CCOC[C@@H]3C)CC2)cc1F	277454760	LAEUSEGYGYMCSP-BBRMVZONSA-N	351.422	2.091	10	10	FECE	
CC(C)[C@H](C(=O)NCc1cc(Br)ccc1O)N1CCCC1=O	804736210	NHNGJHATDLQDMV-OAHLLOKOSA-N	369.259	2.418	10	10	FECE	
Cc1cc(=O)c(C(=O)NCc2cc(Br)ccc2O)cn1C	804736293	QSDFBLYPCSAPCM-UHFFFAOYSA-N	351.200	2.092	10	10	FECE	
COc1ccc(N2CCN(CCNC[C@@H](O)CC3CCCC3)CC2)cc1	818982092	FJNTXLXNIZWJCI-FQEVSTJZSA-N	361.530	2.348	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)c2cccn(CC(=O)O)c2=O)cc1	901860570	WEJGYCAARUWMFA-UHFFFAOYSA-N	371.437	2.051	10	10	FECE	
CCOC(=O)c1ccccc1N(C)C(=O)/C=C\c1cncc(C(=O)NC)c1	731990109	GPNKDEVWSFUAHO-KTKRTIGZSA-N	367.405	2.294	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3CC[C@@H]3C(=O)O)cc2F)C[C@@H](C)O1	911228986	WXYVZBOELSVJNR-OSRDXIQISA-N	364.417	2.166	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)[C@@H]1CCO[C@@H](C)C1	841568608	COYQTWQLCXNSGC-RLFYNMQTSA-N	354.516	2.479	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)C[C@@H]2CCOC[C@@H]2OC)cc1	844857493	YOQUPOPCBDOOKK-YJBOKZPZSA-N	350.459	2.031	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CCC[C@]4(CCCOC4)C3)nc12	747849321	XDJWCKRGJVQCHA-IBGZPJMESA-N	374.441	2.004	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@H](NC(C)C)C3)C2)cc1	854301857	VGTULFDRYIAIAH-DLBZAZTESA-N	360.502	2.446	10	10	FECE	
Cc1cc(N2CCC[C@@H](NC(=O)NCc3c(O)cccc3F)C2)n(C)n1	922216146	UEZSZGIKDXLNAE-CYBMUJFWSA-N	361.421	2.041	10	10	FECE	
Cc1ccc(C(=O)N2CC(C)(c3nnc(-c4cccnc4)o3)C2)c(O)c1O	852993114	QPMAINGHPJHERF-UHFFFAOYSA-N	366.377	2.265	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H](C)Cc4c[nH]nc43)C2)cc1	857871581	SJDUOPNFTCMKIC-QIIPPGSGSA-N	354.454	2.479	10	10	FECE	
CO[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(O)cc1	856212625	PELXPWUQRJLJFR-HXUWFJFHSA-N	370.449	2.357	10	10	FECE	
COc1ccc(N2CCN(CCNCc3ccnc(F)c3C)CC2)cc1	862274750	DOOFCLDZTCJGJF-UHFFFAOYSA-N	358.461	2.450	10	10	FECE	
C[C@@H](NCC[S@@](=O)C(F)(F)F)c1ccc(N2CCOCC2)cc1	930209776	IJPYEMNEAAPJFY-SFDCACGMSA-N	350.406	2.442	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN[C@@H](C)c3ccns3)CC2)cc1	860051316	HKMXVRAIHGMLNS-AWEZNQCLSA-N	360.483	2.151	10	10	FECE	
COC(=O)c1c(CN2CC[C@@H](n3cncn3)C2)c2cc(F)ccc2n1C	1119513857	VBZDXJZJOZWMLQ-CYBMUJFWSA-N	357.389	2.143	10	10	FECE	
COCc1nc([C@H]2COCCN2Cc2cc(Cl)cc(F)c2O)no1	779616313	PRIYGJAFVNZBJO-GFCCVEGCSA-N	357.769	2.288	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H]2CCC3(CCC3)O2)cc1	1119530631	ITDLJSSESDVNJH-GOSISDBHSA-N	373.497	2.367	10	10	FECE	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCO[C@H](C3CC3)C2)c1	776768376	NNPLCUQFUBYIQA-FQEVSTJZSA-N	374.481	2.038	10	10	FECE	
O=C([C@H]1CCCC12OCCO2)N(Cc1ccccc1O)C[C@H]1CCCO1	774065883	IYEFHIBTLXDREN-IAGOWNOFSA-N	361.438	2.443	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ncn(C(C)(C)C)n1	784646447	KGEQOTLSPWTQPP-UHFFFAOYSA-N	372.473	2.086	10	10	FECE	
C[C@H](NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53)c1cc([N+](=O)[O-])ccc1O	786956844	FGHAFXNBBLKDTN-ZGYLKNLESA-N	356.422	2.460	10	10	FECE	
Cc1cc(C(=O)N[C@@H](CO)c2cncn2C)c(C)n1-c1ccc(F)cc1	898883285	HSBFLPRHEQWZPR-KRWDZBQOSA-N	356.401	2.430	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N(CCN2CCOCC2)CC2CC2)cc1	1148694974	ZLLBZNZZSWFJGL-UHFFFAOYSA-N	359.430	2.033	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@]2(CCCOC2)C1	1327096851	YJCGUILHAHDSSQ-OAQYLSRUSA-N	373.497	2.130	10	10	FECE	
O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCO[C@H]1c1ccc(O)nc1	1254137110	SMDHTXFJSFKNOM-CJNGLKHVSA-N	363.801	2.476	10	10	FECE	
C[C@@H](NC(=O)N1CCC([C@H](F)C(N)=O)CC1)c1ccc(N(C)C)cc1	1519306961	AXRNPDNSDCQWHH-WBMJQRKESA-N	350.438	2.059	10	10	FECE	
CC(C)C[C@H]1COCCN1C(=O)NCc1ccc(N2CCN(C)CC2)cc1	1471190667	JQMRYBBHDMXKPV-FQEVSTJZSA-N	374.529	2.395	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)NCc3nc(N)n[nH]3)c2C)c1	1471103212	YPZXFGAUUUVPOC-UHFFFAOYSA-N	353.430	2.102	10	10	FECE	
C[C@@H](C(=O)NCc1c(O)cccc1F)c1ccc(S(C)(=O)=O)cc1	1558454776	MCQMBJOOUPTIRY-LLVKDONJSA-N	351.399	2.355	10	10	FECE	
O=C(CCNC(=O)c1cc2ccccc2[nH]1)NCc1c(O)cccc1O	1645365693	BOEQJWQMRZEYAC-UHFFFAOYSA-N	353.378	2.015	10	10	FECE	
CN(C)c1ccc(/C=C(/C(=O)NC[C@@H]2CCCO2)n2ccccc2=O)cc1	6351329	PECUVURELXHIHY-OWBBTNHHSA-N	367.449	2.208	10	10	FECE	
CN(C)c1ccc([C@H](NC(=O)c2ccc(N)cc2O)c2nccn2C)cc1	1865947966	PPNVEXKNBUFMCH-SFHVURJKSA-N	365.437	2.293	10	10	FECE	
CN(C)c1ccc(C=CC(=O)N(Cc2ccccc2)CC2(O)CNC2)cc1	1915455546	WEMFZGPKEPOCID-UHFFFAOYSA-N	365.477	2.129	10	10	FECE	
COc1cccc(O)c1CNCC1(CCO)CN(C(=O)OC(C)(C)C)C1	1972794650	IMVODOMOCHKAMB-UHFFFAOYSA-N	366.458	2.110	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@](C)(CNCc2ccc(O)c(O)c2)C1	2026839844	YGJTZLRWTFRCTF-SFHVURJKSA-N	352.431	2.213	10	10	FECE	
COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2060613508	RWKNFBFKXUOTMC-NEPJUHHUSA-N	357.411	2.007	10	10	FECE	
C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)CCc1ccc(N)cc1	2106699723	PMJVTHZEXLWDMF-SMDDNHRTSA-N	357.376	2.259	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H](CCC(=O)N2CC[C@@H](N=[N+]=[N-])C2)C1	2263325622	LCFDBRNCVXAGIK-OLZOCXBDSA-N	353.423	2.314	10	10	FECE	
CCOC(=O)CNC(=O)NCc1cc(C)n(-c2ccc(OC)cc2)c1C	9228667	XLJVICBZCICPMG-UHFFFAOYSA-N	359.426	2.465	10	10	FECE	
CC(C)N(C[C@H](C)O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	119056620	GNZTYMAOWIEHHN-AWEZNQCLSA-N	367.465	2.088	10	10	FECE	
CCC1(CC)CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[S@@]1=O	302214620	GSKFMEUYLUWLCI-VWLOTQADSA-N	367.427	2.053	10	10	FECE	
O=C1CCc2cc(N3CCN(S(=O)(=O)c4ccccc4)CC3)ccc2N1	62575865	ZFHREIFBEAHLFN-UHFFFAOYSA-N	371.462	2.082	10	10	FECE	
CC(C)CNC(=O)c1coc(CN2CCN(Cc3ccccc3O)CC2)n1	34677926	YWMCCXAQTVFMGI-UHFFFAOYSA-N	372.469	2.084	10	10	FECE	
Cc1nccc(N2CCN(C(=O)NCc3ccc(N(C)C)c(F)c3)CC2)n1	184967766	TZKIDMXJIJMSSN-UHFFFAOYSA-N	372.448	2.022	10	10	FECE	
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)n1	181093688	WQEOLVRBKMHJGB-IQIBNGDESA-N	356.426	2.258	10	10	FECE	
Cn1cc(Br)c(C[S@@](=O)CCOc2ccc(N)cc2)n1	2366964431	WXCUDQSIOUUFBP-FQEVSTJZSA-N	358.261	2.093	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCc3cccnc3)CC2)cc1OC	242803406	FFGMVYCFBDMOTD-UHFFFAOYSA-N	356.426	2.131	10	10	FECE	
Cn1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c(C2CC2)n1	292005960	IEXULCIHTAKBGU-UHFFFAOYSA-N	355.442	2.456	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cccc(C(C)(C)O)c1	807024051	HETVVBCFUXXAIN-GFCCVEGCSA-N	372.421	2.011	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(N2CCOCC2)c(F)c1	588405951	LGBSNAMTKVPJRV-UTCJRWHESA-N	372.396	2.403	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1n[nH]cc1F	900250534	YDLHCUXDSDYSMY-UHFFFAOYSA-N	372.322	2.334	10	10	FECE	
Cc1cc(Cl)cc(CN2CCC(N3C[C@H](C(=O)O)CC3=O)CC2)c1O	844933147	CMZBSKFZTVGVSG-CYBMUJFWSA-N	366.845	2.252	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)c3cn4c(n3)CCC4)cc2F)CC1	843544824	FMIMUAWRRSTDGH-UHFFFAOYSA-N	371.460	2.040	10	10	FECE	
CN1CC[C@H](NC(=O)C(=O)Nc2ccc(N)cc2)[C@@H]1c1ccc(Cl)cc1	841078098	GCZUGWSNCUSFSI-IRXDYDNUSA-N	372.856	2.422	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCC3SCCS3)C2)cc1	852450887	YTUFBWURTLUTOI-GFCCVEGCSA-N	353.513	2.379	10	10	FECE	
C[C@@H](NC(=O)N1C[C@H]2CC[C@H]1[C@@H](CO)C2)c1ccc(N2CCOCC2)cc1	852012981	QQCFIJSQYOGXNM-HNAWSFBYSA-N	373.497	2.387	10	10	FECE	
Cc1nnc(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)s1	758369514	TZUAKGGITWYKPP-UHFFFAOYSA-N	371.510	2.309	10	10	FECE	
C[C@@H](C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccncc1	924252218	HYFRMWUOOQYGEE-OAHLLOKOSA-N	366.465	2.203	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1ccnn1C	867529874	ONWHXZDXPFUEKR-AWEZNQCLSA-N	358.442	2.132	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](O)C1CCOCC1	769291372	OVEPIUOACKTBLH-OAHLLOKOSA-N	372.259	2.291	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H](O)c1cc(F)c(F)c(F)c1	1167902651	BCOUNSDGKFRBFT-HKLWWIALSA-N	353.296	2.378	10	10	FECE	
C[C@H](NC(=O)C(=O)NC1CC(C)(C)C1)c1ccc(N2CCOCC2)cc1	1350707815	MTZGFWSCNCENIB-AWEZNQCLSA-N	359.470	2.005	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N[C@@H](CO)[C@@H]3CCOC3)c2C)cc1	1295798557	JCXZJQRNGIWGBS-BEFAXECRSA-N	358.438	2.230	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccc(O)c(O)c1	1539302403	QDRLQQLYQYQMLM-UHFFFAOYSA-N	356.422	2.136	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1	1478293876	FXNLSPRXFVEQMK-QGZVFWFLSA-N	370.497	2.439	10	10	FECE	
Cc1nc2c(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)cccc2o1	1624019638	UCKXFJKVHHYBJP-UHFFFAOYSA-N	361.379	2.466	10	10	FECE	
O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N1CCOC1	1627910343	ANNQWCCDUIGFHA-LCYFTJDESA-N	366.439	2.233	10	10	FECE	
CN(C)CCn1ccc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)n1	1628955039	YEUXSAYAJPRKDR-UHFFFAOYSA-N	355.486	2.317	10	10	FECE	
CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)c2cccc(O)c2O)cc1	1629013234	KMEZRJFVSCMITG-LLVKDONJSA-N	372.377	2.032	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(F)cc3N)cc2)C1	1625271434	OGHFWCAXQZOPAF-AWEZNQCLSA-N	370.428	2.040	10	10	FECE	
NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(F)cc3N)c2)CC1	1565847203	YHZIYHPAQPNRPL-UHFFFAOYSA-N	356.401	2.362	10	10	FECE	
Cn1c(C(F)(F)F)nc2cncc(C(=O)NCc3c(O)cccc3O)c21	1647291314	WUWRMOCNDUEKRS-UHFFFAOYSA-N	366.299	2.328	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)N2CC(O)(c3ccnn3C)C2)c1C	1650874653	IVLRJSCGYFVBRO-UHFFFAOYSA-N	364.449	2.480	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN(C)c3ccc(C(C)=O)cc3)nc12	1659944329	SFDAIMXVYTWPLW-UHFFFAOYSA-N	368.393	2.451	10	10	FECE	
Cn1nc(CNC(=O)OC(C)(C)C)cc1C(=O)N1CCC(N=[N+]=[N-])CC1	2124505147	ICGUAQJCHUWUPJ-UHFFFAOYSA-N	363.422	2.360	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3CCCN(C(C)(C)C)C3=O)CC2)cc1	1594798696	AAERSGLWTNLGLU-GOSISDBHSA-N	373.497	2.381	10	10	FECE	
COCCC(C)(C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1687807468	SLIIWWGRBCTHNX-KRWDZBQOSA-N	350.507	2.470	10	10	FECE	
COCc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)Cc1ccc(N(C)C)cc1	152832689	UKWTVTSSTPJDBC-INIZCTEOSA-N	372.473	2.167	10	10	FECE	
CC[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862309728	ONJRNOVTXOBARV-KRWDZBQOSA-N	361.486	2.285	10	10	FECE	
CN[C@@H](c1ccc2c(c1)CCN2C)[C@@]1(O)CN(C(=O)OC(C)(C)C)[C@@H]1C	1887682682	BAYWSODIWYUXPS-ASUYLVSUSA-N	361.486	2.310	10	10	FECE	
Nc1ccc(O)c(CN2CC[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)c1	2129060194	PLFWBUCYIOUPRV-FPOVZHCZSA-N	353.466	2.450	10	10	FECE	
C[C@@H](NC(=O)[C@H]1COCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O	827955573	BBGBHUCZMGIKPZ-ZIAGYGMSSA-N	364.442	2.453	10	10	FECE	
COc1ccc([C@H](C)N[C@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c(O)c1	1918712966	AVFRJEZVFFAELQ-QWHCGFSZSA-N	366.458	2.422	10	10	FECE	
CCN[C@@H](c1ccccc1O)[C@@](O)(CNC(=O)OC(C)(C)C)COCC	1922526376	KRJUQUYXGOVGQL-QFBILLFUSA-N	368.474	2.335	10	10	FECE	
CCN[C@@H](c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)c1ccccc1O	2146241499	POMKHDKZCHUTGY-QGZVFWFLSA-N	373.457	2.474	10	10	FECE	
CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(CN=[N+]=[N-])CC1	2060611741	XVBBUSPFPHRNKW-LBPRGKRZSA-N	354.455	2.038	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C12CCC2	2072029153	KJZARBVBIXDQDY-RGCMKSIDSA-N	350.459	2.336	10	10	FECE	
CN1C(=O)[C@H](N)c2ccc(N3C[C@@H]4CCN(Cc5ccccc5)[C@H]4C3)cc21	2188884357	JOOKTGXHWKPLPH-ORYQWCPZSA-N	362.477	2.374	10	10	FECE	
CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cccc(O)c1O	2084783116	KPIUTMXXJRWLNP-WCQYABFASA-N	368.455	2.179	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@@]3(O)CCCN(C(=O)OC(C)(C)C)C3)ccc21	2106849803	AZZNGHZWUPQYAY-YLJYHZDGSA-N	361.486	2.441	10	10	FECE	
COc1ccc([C@@H](C)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)c(O)c1	2331471391	MFFGKQUJLCAAFM-DAXOMENPSA-N	366.458	2.422	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CC[C@H](CN=[N+]=[N-])C3)CO[C@@H]1C2	2334200204	LIBDRZBDSNDHMJ-ZFRZLUBXSA-N	365.434	2.218	10	10	FECE	
Cc1c(O)c(O)c(C)c2c1Oc1c(O)c(O)c3c(c1[C@H]2O)[C@@H](O)C=CO3	14611733	CFHASEWULLWTPB-CPFSXVBKSA-N	360.318	2.253	10	10	FECE	biogenic
COCCCN1C(=O)/C(=C/c2ccc(N3CCOCC3)o2)SC1=S	38704467	FNWODNUXRFCTBK-QBFSEMIESA-N	368.480	2.354	10	10	FECE	
CCN1CCC[C@@H](NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)C1	52592371	AEAVJMPPVYANGU-QGZVFWFLSA-N	360.502	2.401	10	10	FECE	
CC1(C)Oc2ccc([N+](=O)[O-])nc2N(CCOc2ccc(N)cc2)C1=O	75261285	PEENNAQRCOSQSN-UHFFFAOYSA-N	358.354	2.155	10	10	FECE	
C[C@@H](NCC1(CS(C)(=O)=O)CC1)c1ccc(N2CCC(O)CC2)cc1	90182762	LZQMFVLNGVUHLM-OAHLLOKOSA-N	366.527	2.123	10	10	FECE	
C[C@H](CO)[C@@H](C)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92283920	UJGQWMXBZQYXKZ-IAGOWNOFSA-N	374.529	2.035	10	10	FECE	
Cc1nn(C)c(C[C@H](NN)c2ccc(N(C)C)cc2)c1Br	97752469	DKJZDIHVGHNIKK-ZDUSSCGKSA-N	352.280	2.304	10	10	FECE	
COc1cccc(CNC(=O)Cc2ccc(N3CCCC3=O)cc2)c1O	105653016	DGRVAJKQQPNJHW-UHFFFAOYSA-N	354.406	2.387	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1	115280132	YHUKGDTZWKDBBU-UYAOXDASSA-N	366.465	2.292	10	10	FECE	
CC(C)[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1)N1CCN(C)CC1	132388153	SDLBVSWXUROWKK-SIKLNZKXSA-N	374.573	2.446	10	10	FECE	
COc1ccc(O)c(CNC(=O)C2CCN(C(=O)c3ccco3)CC2)c1	172043327	VGYYHMHFHIZWRV-UHFFFAOYSA-N	358.394	2.162	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O	182517853	HZRKMAWGXNSOIN-GFCCVEGCSA-N	362.332	2.045	10	10	FECE	
CC[C@@H](C)NC(=O)c1cnc(N2CCN(c3ccc(OC)cc3)CC2)cn1	242928878	GYELYOWTNOJURH-OAHLLOKOSA-N	369.469	2.340	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)N3CCN4CCOC[C@H]4C3)ccc21	368222213	PVCGUYYRCSLPEZ-GOSISDBHSA-N	371.481	2.061	10	10	FECE	
COC(=O)[C@H](NCCN=[N+]=[N-])c1snc(OC)c1Br	690066213	JGWRKJMRWPWARR-ZCFIWIBFSA-N	350.198	2.028	10	10	FECE	
COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1c(O)ccc2ccccc12	747829032	BUNPAQFZJGJDBO-PSBWJHGTSA-N	369.417	2.470	10	10	FECE	
Cc1cc(CCNC(=O)C(=O)Nc2cncnc2)c(C)n1-c1ccccc1	767971684	BFZNFTJGDAWPMH-UHFFFAOYSA-N	363.421	2.182	10	10	FECE	
COCCO[C@@H]1COCC[C@@H]1NCc1cc(C)cc(Br)c1O	776812543	KAQXQSMHCNWGKK-LSDHHAIUSA-N	374.275	2.373	10	10	FECE	
C[C@H](N[C@@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(N(C)C)cc1	783537270	WJJOFDIJPPARLN-MAUKXSAKSA-N	355.486	2.328	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@@H](O)Cc1ccccc1	813388396	NNACGEUTJWJLBO-NRFANRHFSA-N	368.477	2.475	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)Nc3cc(F)ccn3)CC2)cc1	824825611	RTCIWDWIJBMNTP-UHFFFAOYSA-N	373.432	2.173	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)NC[C@@H](C)C(C)C)C2)cc1	824950114	HEJGASVFTFHWEQ-HZPDHXFCSA-N	361.486	2.046	10	10	FECE	
COC(=O)c1cn([C@@H]2CCN(Cc3c(O)cc(C)cc3Cl)C2)nn1	840938813	HJIKPTRAYSLTRO-LLVKDONJSA-N	350.806	2.179	10	10	FECE	
CN(C)c1ccc(CNC(=O)NC[C@]2(CO)CCc3ccccc32)cc1	844774577	IUSKBGNUTBYJCR-NRFANRHFSA-N	353.466	2.428	10	10	FECE	
Cn1nccc1[C@H]1COCCN1C(=O)NCCCSc1nccs1	845044271	AOYPGAKHZRHTMR-CYBMUJFWSA-N	367.500	2.142	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCC[C@@H](N(C)C)C3)C2)cc1	852223798	SCCYMRDACQQFFO-SOLBZPMBSA-N	360.502	2.446	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](n4cc(C)cn4)C3)C2)cc1	852447739	DOCZEDNUSNKVNQ-FUHWJXTLSA-N	369.469	2.435	10	10	FECE	
COC(=O)[C@H]1CCN(C(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)C1	858637845	DLZGGDMYPJFYRJ-KRWDZBQOSA-N	368.433	2.471	10	10	FECE	
COc1ccc(O)c(CNC(=O)C2(NC(=O)OCc3ccccc3)CC2)c1	860242505	UOLCYKZGZICAKQ-UHFFFAOYSA-N	370.405	2.476	10	10	FECE	
CCO[C@H](C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C	860372089	ZTSDHMOFXKWQBK-SFHVURJKSA-N	350.459	2.315	10	10	FECE	
COc1ccc(N2CC[C@H](CNS(=O)(=O)C[C@H]3CCC3(F)F)C2)cc1	867428283	IJPQDNZXHCEQKC-ZIAGYGMSSA-N	374.453	2.486	10	10	FECE	
C[C@@H](NC(=O)NCc1cc(Br)ccc1O)c1ccnn1C	869183206	JVOSOIBMSNERNL-SECBINFHSA-N	353.220	2.449	10	10	FECE	
CC[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1CCCOC1	897808061	ITJQPGMHVYXIMF-IEBWSBKVSA-N	371.481	2.000	10	10	FECE	
CON1CCC(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CC1	925677142	ONEUGIGQUYRZQD-UHFFFAOYSA-N	358.530	2.334	10	10	FECE	
Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1	1134686636	QLXBBSVZLGZJJF-SFHVURJKSA-N	371.441	2.397	10	10	FECE	
CN1CCC(N2CCC(NC(=O)c3ccc(N=NC(N)=O)cc3)CC2)CC1	1142767723	TZDGEEHQTWRMNS-UHFFFAOYSA-N	372.473	2.137	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCN(c2ccccc2Cl)C1=O	1146854672	QVJRWNCZZKKWJE-CYBMUJFWSA-N	360.797	2.215	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCS[C@H](C(F)(F)F)C2)cc1	1176175097	JYRMZPOKOIAYBP-AWEZNQCLSA-N	361.433	2.349	10	10	FECE	
CC[C@H](C)[C@@](C)(O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1256232425	OTCGXHFJSCPRJT-CVAIRZPRSA-N	364.534	2.452	10	10	FECE	
O=C(CCn1cnccc1=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	1264610292	ALSIIOOLUNKZQW-UHFFFAOYSA-N	373.368	2.048	10	10	FECE	
COc1cccc(O)c1C(=O)NCc1ccc(N2CCN(C)CC2)cc1	1303086207	VKXCBOWVKHBBJP-UHFFFAOYSA-N	355.438	2.083	10	10	FECE	
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1c(O)cccc1F	1303879285	WDWXTKATEBFEEU-SFHVURJKSA-N	369.396	2.376	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCO[C@@H](c3nccn3C)C2)c1	1470477974	BWLJTDZEQLMQDF-GDZNZVCISA-N	374.441	2.415	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c(C(C)C)nnc1N1CC[C@@H](C(N)=O)C1	1510675437	CVYGNGAEVNQBQU-MRXNPFEDSA-N	370.501	2.136	10	10	FECE	
C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(N2CCOC2=O)cc1	1597744090	PFHRRCIWMATCRZ-GFCCVEGCSA-N	356.378	2.474	10	10	FECE	
CCN1C[C@@H](CN(C)C(=O)Cc2ccc(O)c(O)c2)Oc2ccccc21	1623538831	QUQCBGBISVSICI-OAHLLOKOSA-N	356.422	2.386	10	10	FECE	
Cn1cnc2ccc(C(=O)NCc3cccc(Br)c3O)nc21	1626821988	IFUBWZMYHAIEIP-UHFFFAOYSA-N	361.199	2.366	10	10	FECE	
COc1ccc(N2CCCN(c3nnc(C)n3CCC(C)(C)O)CC2)cc1	1770257676	GALOMRKVKLCEHB-UHFFFAOYSA-N	373.501	2.473	10	10	FECE	
C[C@H](NC(=O)[C@@]1(C)COC[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O	1877566780	CSDXUHAHXXIRJR-HGQUKEQDSA-N	364.442	2.499	10	10	FECE	
Cc1ccc(=O)n([C@H](C)C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)n1	1889996035	ZJBUGTWJMYDKPE-AYBZRNKSSA-N	366.465	2.418	10	10	FECE	
CC(C)S(=O)(=O)CCN(C)Cc1cccc(Br)c1O	1971967681	VFMWTBUMBWOMDY-UHFFFAOYSA-N	350.278	2.410	10	10	FECE	
Nc1ccc(OCC(=O)N[C@H]2CCN(C(=O)OCc3ccccc3)C2)cc1	1999121789	BGSXJUJNHQBOJT-KRWDZBQOSA-N	369.421	2.175	10	10	FECE	
C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)c1c(O)cccc1O	2052721875	PXZDOFQBIHHVNB-YWPYICTPSA-N	352.431	2.119	10	10	FECE	
CC(C)(C)OC(=O)N1CC(OCC(=O)N2CCC[C@H](CN=[N+]=[N-])C2)C1	2060613375	QJTPKNVIAKJQPL-GFCCVEGCSA-N	353.423	2.171	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2060617626	PEGJJSISWYQYCR-JHJVBQTASA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)NCC1(CN=[N+]=[N-])CC1)[C@@H]1CCOC1	2060620772	FCHUCWRIPQZBTJ-VXGBXAGGSA-N	353.423	2.123	10	10	FECE	
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(N=[N+]=[N-])CC2)CCOCC1	2060636409	XPLFCEFSSKRVIB-UHFFFAOYSA-N	353.423	2.362	10	10	FECE	
COc1ccc([C@H](C)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(O)c1	2062450676	INUBTTRNQKSKGM-SGIREYDYSA-N	352.431	2.032	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](O)C[C@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2124538543	KUEPENIRMSBLQU-IHRRRGAJSA-N	367.450	2.438	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2COC[C@@]2(C(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2124539868	ABOUVMKCAWVSBI-IGCXYCKISA-N	365.434	2.171	10	10	FECE	
CCC1CN(C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1	2136256519	QQRIBHZNCLRBCQ-AWEZNQCLSA-N	364.442	2.402	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CN(C(=O)c1ccc(O)c(O)c1)C2	2136547778	BOWIQDUPINENHG-ORAYPTAESA-N	362.426	2.475	10	10	FECE	
COc1ccc(N(C)CC2(O)CN(C(=O)OC(C)(C)C)C2)c(OC)c1	2259107151	HWWDRAJXAGIBHO-UHFFFAOYSA-N	352.431	2.122	10	10	FECE	
CCC1=NN(C)C(=O)C1=Cc1ccc(OCCN2CCOCC2)c(OC)c1	2332106648	PMDILWHYZJXXQS-UHFFFAOYSA-N	373.453	2.028	10	10	FECE	
c1ccc(COc2ccc(N3CCOC[C@@]34CNCCOC4)cc2)cc1	2336053031	GHFBIUSCIMESKZ-NRFANRHFSA-N	354.450	2.461	10	10	FECE	
C[C@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1)c1ccccc1O	2343321995	NKGLCZBTBWAOAC-UONOGXRCSA-N	363.458	2.168	10	10	FECE	
CS(=O)(=O)N[C@@H]1CCN(Cc2c(O)ccc3oc4c(c23)CCCC4)C1	116869264	BRFLNIQCQAAHLD-GFCCVEGCSA-N	364.467	2.141	10	10	FECE	
COc1cc(Br)cc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1O	368972677	HHFNGFVFLXDFEA-BHYNMZESSA-N	369.259	2.249	10	10	FECE	
COc1cc(Br)cc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1O	368972679	HHFNGFVFLXDFEA-MRCXROJRSA-N	369.259	2.249	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@]4(CNC(=O)C4)C3)c2C)cc1	279465887	FZHDASJQTIMNDD-OAQYLSRUSA-N	367.449	2.455	10	10	FECE	
CCOC(=O)c1nn(C)cc1CNCc1cc(Br)ccc1O	809712683	BWQKFJHGRBBZNW-UHFFFAOYSA-N	368.231	2.355	10	10	FECE	
Cc1c(NC(=O)c2cccc(O)c2O)cccc1N1C(=O)N[C@@H](C)C1=O	811538588	XTPNYSDXGJNIGU-JTQLQIEISA-N	355.350	2.103	10	10	FECE	
CC1(O)CC(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1	822582000	OSGCAIDZLIIZJR-UHFFFAOYSA-N	372.387	2.319	10	10	FECE	
CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2	823068893	ZEEIMZXQXDIRRP-QZTJIDSGSA-N	359.470	2.177	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCCN(C)C1=O	826527957	ZPIOVTQGDWDWBK-ZDUSSCGKSA-N	369.259	2.372	10	10	FECE	
O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1c(F)ccc(O)c1O	826932950	LLKNSRJGCPSIKE-GFCCVEGCSA-N	350.390	2.148	10	10	FECE	
COc1ccc(N2CCC(NC(=O)c3ccn4nccc4n3)CC2)cc1	900509344	UDNFFPYADCSVBA-UHFFFAOYSA-N	351.410	2.137	10	10	FECE	
CCN(CC)CC(=O)N1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1	835024966	BFFWPKRCNOKCSO-BQYQJAHWSA-N	358.530	2.252	10	10	FECE	
Cc1cc(CC(=O)N[C@H](C)[C@H]2CN(C)CCO2)c(C)n1-c1ccccc1	830627431	IGTFPWDAODFODW-OXQOHEQNSA-N	355.482	2.472	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc2nccn2c1	738948975	KLRYGWNXKGFGCD-UHFFFAOYSA-N	351.410	2.493	10	10	FECE	
CCn1nccc1S(=O)(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	841568650	DTRTYGWWTSKTEY-CQSZACIVSA-N	350.488	2.187	10	10	FECE	
CN(C)c1ccc(CN(C(=O)[C@]23C[C@H]4C[C@H](C(=O)N2)[C@H]3C4)C2CC2)cc1	844318482	OKRORFHQVOXCKH-MUMXORNYSA-N	353.466	2.158	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)NC[C@@]3(OCCO)CCOC3)c2C)c1	855406413	WWQUEBZWAIHHGF-NRFANRHFSA-N	372.465	2.300	10	10	FECE	
C[C@H](NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@H]1[C@H]2CN[C@H]1C2	925630240	OPUAEYHFTVUVJU-NHRGSCSFSA-N	354.542	2.305	10	10	FECE	
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(Cc2cc3c(cc2O)OCO3)C1	853530024	WKMWLQHDCLYOBU-MNOVXSKESA-N	361.316	2.294	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@@H](C(=O)NCc1ccc3cccnc3c1O)C2	862025203	OSMVAYHDJAOGGY-RCBQFDQVSA-N	369.421	2.424	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=S)NCc3cc(C)on3)C2)cc1	865239460	OHIOMTBAQKBLID-CQSZACIVSA-N	360.483	2.482	10	10	FECE	
COc1cc(OC)c(S(=O)(=O)Nc2ccc(O)cc2F)c(OC)c1	777647911	IKMHUVLEMCMRIH-UHFFFAOYSA-N	357.359	2.358	10	10	FECE	
CCN1CCC(N2CCC(C(=O)N3Cc4cccc(O)c4C3)CC2)CC1	871204966	NAWIBXIIMZJEFN-UHFFFAOYSA-N	357.498	2.431	10	10	FECE	
CCCCS(=O)(=O)N1CCC(C(=O)N2Cc3cccc(O)c3C2)CC1	871200496	CSSHZALQMYZBOJ-UHFFFAOYSA-N	366.483	2.076	10	10	FECE	
CC(C)(C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1cnc[nH]1	773977769	JWJDYFASIGPFFZ-UHFFFAOYSA-N	356.470	2.212	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCCN(C(C)(C)C)C3=O)C2)cc1	898580177	DEPUEDLCKYEPTM-QAPCUYQASA-N	373.497	2.427	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1	797636594	CHLKARDZLYWICZ-WFASDCNBSA-N	369.421	2.454	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1COCCN1CC(F)F	1136025207	AJQLPUDRTPBCLR-QGZVFWFLSA-N	367.440	2.211	10	10	FECE	
O=C1C[C@H](C(F)(F)F)[C@H](C(=O)NCc2c(O)ccc3ccccc23)CN1	1304090300	DBOKEFGSVFMXTA-KGLIPLIRSA-N	366.339	2.476	10	10	FECE	
C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1O	1171723629	VENBTKAMZPRPPL-DGCLKSJQSA-N	373.365	2.375	10	10	FECE	
Cc1cc(CC(=O)N2CC[C@@H](c3nn[nH]n3)C2)c(C)n1-c1ccccc1	1349003192	TXKSEZGSHCKTEK-OAHLLOKOSA-N	350.426	2.166	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCOC[C@@H]3CC3CC3)C2)cc1	1478957845	SSWYOHGSRYNBJK-WMZOPIPTSA-N	359.470	2.484	10	10	FECE	
CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N(C)C)c(F)c1	1615179501	XOTQDBIRNPSNBG-UHFFFAOYSA-N	374.464	2.110	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)Cc3ccc(O)c(O)c3)[C@@H]2C1	1626425610	ONBUHDDGDRDOTR-UONOGXRCSA-N	362.426	2.108	10	10	FECE	
COc1ccc(-c2nn(CC(=O)NCc3ccccc3O)cc2C=O)cc1	1622772994	QYISUUDAQZCZHH-UHFFFAOYSA-N	365.389	2.393	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H](c2ccncc2)C2CC2)c1	1558716671	HKOJQTQMEBONBE-MRXNPFEDSA-N	361.423	2.040	10	10	FECE	
CC(=O)Nc1ccc(N2C[C@H](C(=O)NCc3ccccc3O)CC2=O)cc1	1631536159	QCEGKZFBNBPLAL-OAHLLOKOSA-N	367.405	2.020	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)NCc1c(O)cccc1O	1635850859	SMQRFMDDFXSLSU-NORZTCDRSA-N	362.426	2.217	10	10	FECE	
Cc1ccc(O)c(CNC(=O)/C(=C\c2ccc(F)cc2)n2nnnc2C)c1	1645800743	QTYOWFQLEKBYAI-LICLKQGHSA-N	367.384	2.449	10	10	FECE	
COc1ncc(Br)cc1CNC(=O)c1cccc(O)c1O	1640655900	BCSQGCLABOCHEP-UHFFFAOYSA-N	353.172	2.194	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)[C@H](NC(=O)OC(C)(C)C)C1COC1	2124323181	KPCLUMZTZFJTSN-MLGOLLRUSA-N	364.442	2.451	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCC(N=[N+]=[N-])CC2)C1	2124508439	HHBANKXSBPPEJX-YVEFUNNKSA-N	365.434	2.314	10	10	FECE	
Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC[C@H]2CN=[N+]=[N-])cn1	2124536738	SLJOKEMJUFRVEX-STQMWFEESA-N	363.422	2.287	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(CC(C)(C)C)n1Cc1nncn1C	1767112893	FAJMWJWYSDQJLI-UHFFFAOYSA-N	369.473	2.386	10	10	FECE	
CC(C)[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(C)(C)O	1687807008	MESQYMPXAFBLKQ-MSOLQXFVSA-N	364.534	2.450	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)N[C@@H](CO)C2CCCC2)N(C)C)cc1	1687806625	IYCVNBYDVMDCKT-OALUTQOASA-N	362.518	2.206	10	10	FECE	
CN[C@@H]1C(=O)Nc2cc(N(C)[C@@H]3CCO[C@@H]3C)c(Br)cc21	159704397	RKFQRHLHNADPJE-RGZBUGHASA-N	354.248	2.275	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)/C=C/c1ccc(OCC(N)=O)cc1	8401175	WGGNKMYZUYEPBX-MDWZMJQESA-N	367.449	2.289	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C	2130968912	FFYJXIUHDWWJTC-RCBQFDQVSA-N	360.458	2.289	10	10	FECE	
COCCCOC(=O)CNCc1cc(Cl)cc(Br)c1O	1857872763	AONAHQINUFDDRI-UHFFFAOYSA-N	366.639	2.477	10	10	FECE	
CN(Cc1ccccc1)[C@]1(CNC(=O)COc2ccc(N)cc2)CCOC1	2155171912	XJOSCRZZOGSFLI-NRFANRHFSA-N	369.465	2.055	10	10	FECE	
C[C@@H]1CN(Cc2ccccc2)CCN(C[C@@H](O)COc2ccc(N)cc2)C1	323305294	CYSGYFYRMRKNSV-WIYYLYMNSA-N	369.509	2.462	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cccc(O)c2O)CC1(C)C	927916255	ZKIHPHCHSHLRBF-CYBMUJFWSA-N	350.415	2.473	10	10	FECE	
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2060635924	QTPYFLJZJBVUHY-RWMBFGLXSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1CC(=O)N1CC[C@@H](N=[N+]=[N-])C1	2060612047	BIYODKWKOGMYID-YNEHKIRRSA-N	353.423	2.218	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1[C@H](CN)c1ccc(N(C)C)cc1	2194859387	JEEBUDAYZSKADO-IVMMDQJWSA-N	372.435	2.284	10	10	FECE	
CC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(C)C3=O)o2)cc1	2293523542	IOQFIDGJBCTKPU-UHFFFAOYSA-N	354.387	2.406	10	10	FECE	
COc1ccc(C=C2SC(=S)N([C@@H](C)C(=O)O)C2=O)cc1OC	2293031064	YFZZDFALGOBYBL-QMMMGPOBSA-N	353.421	2.378	10	10	FECE	
COCCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)C(C(=O)OC)=C1C	2297308108	FATGUIBKMGYPLG-UHFFFAOYSA-N	359.378	2.124	10	10	FECE	
CCN1CCN(C2=NC(=O)C(=Cc3cccc(OC)c3OC)S2)CC1	2297318022	KFDRUVNHASCURF-UHFFFAOYSA-N	361.467	2.312	10	10	FECE	
O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(C(=O)O)cc1	2313558832	KUCMJQIAOCUVGR-UHFFFAOYSA-N	370.361	2.355	10	10	FECE	
COc1ccc(N/C=C2\C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)cc1	103844194	QOTJGGGSJPEURZ-LFIBNONCSA-N	367.361	2.283	10	10	FECE	
CNC(=O)[C@@H]1CCCN1C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C	104358157	BWENYTCMTXDNOY-SFHVURJKSA-N	355.438	2.453	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(n2cncn2)CC1	171012694	HFZQXTVULJRTTE-UHFFFAOYSA-N	354.458	2.425	10	10	FECE	
COc1ccc(N2CCN(Cc3cn(Cc4cccnc4)nn3)CC2)cc1	182945123	QWVLGEFKBSBRGA-UHFFFAOYSA-N	364.453	2.052	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CCc2cc(O)c(O)cc2C1	2366907755	JSXVVVAJXBRESX-HALDLXJZSA-N	374.437	2.095	10	10	FECE	
Cc1csc([C@@H]2CN(CC(=O)NCc3ccc(N(C)C)cc3)CCO2)n1	195390255	CRUOXQHWIVCZBL-KRWDZBQOSA-N	374.510	2.207	10	10	FECE	
CC[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CCN1C[C@H](C)O	245785107	VCWIZOIQUVYJIY-FZMZJTMJSA-N	357.838	2.231	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCOCCNC(=O)CC2)cc1	257179280	IIEYYADXMJVTLF-UHFFFAOYSA-N	369.465	2.463	10	10	FECE	
CC(=O)C(=O)COC(=O)C1(c2ccc(Br)cc2)CCOCC1	808511577	GSTCMOZFKFYHFG-UHFFFAOYSA-N	369.211	2.199	10	10	FECE	
C[C@@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1cc(F)ccc1O	717100661	QGUHQRLNBTZHIR-HSMVNMDESA-N	354.422	2.410	10	10	FECE	
Cc1csc([C@@H](C)NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)n1	804502497	TTYJPWKCGNVTJN-CYBMUJFWSA-N	360.483	2.353	10	10	FECE	
C[C@H](N)[C@@H]1COCC[C@@H]1NCc1ccc(N2CCN(CC3CC3)CC2)cc1	817918512	ZWSWOTMOPDKALP-HSQYWUDLSA-N	372.557	2.061	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3CC4(CNC(=O)O4)C3)c2C)cc1	817680923	RTQUEWOCQCWGJV-UHFFFAOYSA-N	355.394	2.037	10	10	FECE	
C[C@@]1(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C[C@@H]2C[C@@H]2C1	815074334	PDEWRASGVDJTNU-ZGPJWRFFSA-N	355.482	2.441	10	10	FECE	
COCCN1CCCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CC1	817996233	XFIMLHJFNSNYPP-UHFFFAOYSA-N	374.510	2.110	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3CC4(CCCOC4)C3)C2)cc1	824688097	WDCHWCRVOAUWJJ-INIZCTEOSA-N	359.470	2.344	10	10	FECE	
Cc1cc(CC(=O)N2CCN(C[C@H](C)O)CC2)c(C)n1-c1ccccc1	826646477	FCUALEUVQHRGEF-KRWDZBQOSA-N	355.482	2.162	10	10	FECE	
COCc1cc(NC(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)ncn1	824247439	RAIJTMSBTCWWIY-AWEZNQCLSA-N	371.441	2.280	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3C(F)(F)F)cc2)CC1	829993532	JIZNCPCBIZXZDJ-HZPDHXFCSA-N	369.387	2.170	10	10	FECE	
O=C1CC[C@@H](N2CCN(Cc3cc(Cl)cc(Cl)c3O)CC2)CCN1	825147621	IWFCGJJBSKBBKI-CQSZACIVSA-N	372.296	2.485	10	10	FECE	
COC(=O)[C@]1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCSC1	901229393	HQDKZKFUKZPZBP-HNNXBMFYSA-N	353.421	2.091	10	10	FECE	
COc1cccc(CNC(=O)c2c(C)nn(C3CCOCC3)c2C)c1O	830540015	CSRFCFXOKUETEV-UHFFFAOYSA-N	359.426	2.496	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)CN3CCC[C@@](O)(CO)C3)c2C)c1	839147333	HWSZIGDVKRXYSU-NRFANRHFSA-N	356.466	2.404	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3cc(F)c(C=O)cc3F)cc2)CC1	918913661	OHNZFXQSWSIKEN-UHFFFAOYSA-N	373.403	2.459	10	10	FECE	
COCC[C@@H](COC)NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	840376643	HQTVXPKZVLJBBW-RDJZCZTQSA-N	351.491	2.343	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCCN(C(C)C)CC3)C2)cc1	854301055	HAFYDLRLBVPCOW-KRWDZBQOSA-N	360.502	2.400	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3CSCCS3)C2)cc1	853844298	LJZHOEIDDWTAIN-CJNGLKHVSA-N	367.540	2.422	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C)C[C@@H]3CCCC[C@H]3O)C2)cc1	854300166	VOHHNPQMBGSFJD-TXPKVOOTSA-N	361.486	2.466	10	10	FECE	
CCOc1ccc(O)c(CN2CCC[C@](O)(Cc3nc(CC)no3)C2)c1	856594015	XDNAPWGMBOGNMS-IBGZPJMESA-N	361.442	2.306	10	10	FECE	
CNc1nccc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1[N+](=O)[O-]	855223000	AOZLGFVDDGPMSH-LBPRGKRZSA-N	371.397	2.049	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](O)CC34CCC4)C2)cc1	852449434	SQWYFJUOKUSRAY-DOTOQJQBSA-N	359.470	2.363	10	10	FECE	
CCOC1(CS(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCOCC1	859115131	SKOZGZQBONLRHZ-OAHLLOKOSA-N	370.515	2.319	10	10	FECE	
CCOC1CC2(C1)C[C@H]2C(=O)NCc1ccc(N2CCOCC2)c(F)c1	864932376	YIQMRORZKJXNFP-NGEICVOHSA-N	362.445	2.484	10	10	FECE	
COc1ccc(N2CCCN(C(=O)NCC[C@@H](C)[S@](C)=O)CC2)cc1	765979095	HYMKBKFDXAFHMJ-BZQUYTCOSA-N	367.515	2.074	10	10	FECE	
C[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)c1ccc(N(C)C)cc1	773987416	DHNFQLBEVPTCOO-CQSZACIVSA-N	350.422	2.340	10	10	FECE	
CCOC(=O)[C@@H](CCOC(C)(C)C)NCc1cc2c(cc1O)OCO2	789578631	RFZMRLRNCJZBBU-CYBMUJFWSA-N	353.415	2.347	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@H]([C@@H]3CCCO3)C2)cc1	897488576	GLANIESJRHGIDV-HKUYNNGSSA-N	373.497	2.177	10	10	FECE	
CN(C)CCOc1ccc(N(C)Cc2nc(Br)nn2C)cc1	894461617	JUFFHBYQCOLVBX-UHFFFAOYSA-N	368.279	2.154	10	10	FECE	
Cc1[nH]c2ccnn2c(=O)c1CC(=O)NCc1c(O)ccc2ccccc12	1304089811	MUFSVCZAVIKFHP-UHFFFAOYSA-N	362.389	2.049	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@H](CO)Cc2cnc[nH]2)c1	1302759121	JREHEHFRRRYLIY-KRWDZBQOSA-N	352.438	2.459	10	10	FECE	
C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)c1nc(N)nc(Cl)n1	1307641282	FOFCRRZVDZBHRH-NEPJUHHUSA-N	362.865	2.356	10	10	FECE	
Cc1cc(CNC(=O)N2C[C@H]3COC(=O)[C@H]3C2)c(C)n1-c1ccccc1	1234337765	RASFFRVHDPYLDI-WMZOPIPTSA-N	353.422	2.409	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@]1([C@H]2CCCCO2)CCCO1	1347384670	OUEIGDXIAOVXBO-TZIWHRDSSA-N	374.481	2.258	10	10	FECE	
Cc1cn2nc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc2c(=O)[nH]1	1528253469	JZIIDUQDEPDYFH-UHFFFAOYSA-N	365.437	2.251	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)c1C	1454822426	RNKMRBFUNFDYCL-CALCHBBNSA-N	365.433	2.089	10	10	FECE	
COc1ccc(CNCCCN(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1C	1716555846	JUBZOHYKIKPFOV-YSDSKTICSA-N	358.482	2.365	10	10	FECE	
CC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)NCc1cccs1	1627482749	CLOYPQRHILMAGE-IQCBXXCUSA-N	360.435	2.384	10	10	FECE	
COC(=O)CCCc1csc(NC(=O)Cc2ccc(O)c(O)c2)n1	1629792556	AFZLODWTZAOPKC-UHFFFAOYSA-N	350.396	2.231	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc([N+](=O)[O-])o1	1631531573	VXCZYMYQPXOYSA-UHFFFAOYSA-N	368.729	2.362	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)c3cc(C)nc(NC)n3)CC2)cc1	1630992261	JWXSNWRCJNEZFC-UHFFFAOYSA-N	355.442	2.188	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)NCc2cc(O)ccc2O)C1	1644754203	RMLNFSUQBAWASZ-GOSISDBHSA-N	350.415	2.361	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)NCc3cc(O)nc(O)n3)ccc21	1640014134	SBOOSFHRVZREQW-UHFFFAOYSA-N	370.409	2.036	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2124513879	RLHNGMCQQPKWSX-RFQIPJPRSA-N	365.434	2.312	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2124509545	WRNRPCKIQRPJOT-KBPBESRZSA-N	366.466	2.086	10	10	FECE	
COc1ccc(N(Cc2ccccc2)Cc2nc(=O)n(C)[nH]2)cc1OC	1655147967	HTXZTCYTVQICJL-UHFFFAOYSA-N	354.410	2.332	10	10	FECE	
CC(=O)NC1CCN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)CC1	1749956745	SFOXUQYAIZYBSP-UHFFFAOYSA-N	370.501	2.114	10	10	FECE	
COc1ccc(CN[C@H](C)CN(C)C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cc1C	1676428302	FXLAXCMSUZQLQC-AYOQOUSVSA-N	370.497	2.477	10	10	FECE	
C[C@@H](N=c1nc(CCNC(=O)OC(C)(C)C)[nH]n1C)c1ccccc1O	2126768143	OYNAAHKDQDCMDN-GFCCVEGCSA-N	361.446	2.183	10	10	FECE	
C[C@H]1C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)N1C(=O)OC(C)(C)C	1964864715	VLUHZSONWFIYGI-AAEUAGOBSA-N	350.415	2.154	10	10	FECE	
CCOC(=O)C1(C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)CC1	1866169399	FEGWENZPPJDJTH-INIZCTEOSA-N	370.453	2.035	10	10	FECE	
CN[C@@H](C)c1ccc(N2CCS(=O)(=O)C[C@@H]2C)c(Br)c1	228764319	AZCPHHKOPORMDK-QWRGUYRKSA-N	361.305	2.353	10	10	FECE	
CNCc1ccc(N2CCC[C@@H]2CS(C)(=O)=O)c(Br)c1	2151276022	RCGRJNJQEGOQHJ-GFCCVEGCSA-N	361.305	2.182	10	10	FECE	
C[C@@H](N)c1ccc(N(C)[C@@H]2CS(=O)(=O)C2(C)C)c(Br)c1	2153848603	LEJHABCOUNHBTA-NOZJJQNGSA-N	361.305	2.481	10	10	FECE	
CC1(C)CN(c2cc(Br)c(CN)cc2F)CCS1(=O)=O	2170273986	JCMJLAJELKFVRK-UHFFFAOYSA-N	365.268	2.060	10	10	FECE	
CCCN(CCNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(N)cc1	2044664023	VEPMHSUUFKBYJV-UHFFFAOYSA-N	350.463	2.444	10	10	FECE	
CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCC(CN=[N+]=[N-])CC1	2060632675	DVDFSEGBMHUAIR-ZDUSSCGKSA-N	355.439	2.465	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060610013	CJNUYXQGQQIJLF-UPJWGTAASA-N	353.423	2.170	10	10	FECE	
COCCOC[C@H](O)CN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1	2106773842	NGGSSDWAGAQRBV-QGZVFWFLSA-N	368.474	2.171	10	10	FECE	
C[C@@H]1C[C@@](O)([C@H](N)c2ccc3c(c2)CCN3C)CN1C(=O)OC(C)(C)C	2106848355	HSOUUDQIBIWJEP-DUXSXAKTSA-N	361.486	2.439	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](NC(=O)Cc2ccc(N)cc2)C1	2219134978	ODVFLNYWZHBOJK-UKRRQHHQSA-N	351.422	2.275	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])C1	2225795332	MWHSQDSFZOREPB-XNJGSVPQSA-N	367.450	2.486	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4C[C@H](C3)[C@H]4O)ccc(N)c2C1	2270719021	RWBPHEJVHXNUFD-IVWMJMPLSA-N	359.470	2.379	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NCc2ccccc2O)CO1	2264712094	FYDHZOJZGANHCO-LSDHHAIUSA-N	364.442	2.328	10	10	FECE	
CN(CC1(O)CCN(Cc2ccccc2)CC1)C(=O)Cc1ccc(N)cc1	2286403976	BXJPTSUIOXSZGZ-UHFFFAOYSA-N	367.493	2.297	10	10	FECE	
CC1=NN(c2ccc3nncn3n2)C(=O)C1=CNc1cc(F)c(F)c(F)c1	2296891407	FTEGPQAIBHHTJU-UHFFFAOYSA-N	373.298	2.260	10	10	FECE	
CC(C)COC(=O)[C@H](C)NC(=O)C=Cc1ccc(N2CCOCC2)cc1	2305161580	TUVDUMFIQYNORD-INIZCTEOSA-N	360.454	2.240	10	10	FECE	
CCOc1cccc(C=C2SC(=S)N([C@H](C(=O)O)[C@@H](C)O)C2=O)c1	2323823504	NGCRPCHKQMDXMZ-RNCFNFMXSA-N	367.448	2.121	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1	2315989184	ONKPGQRFKMSEKI-INIZCTEOSA-N	355.439	2.297	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@]3(O)CCN(C(=O)OC(C)(C)C)[C@@H]4C[C@@H]43)ccc21	2355669404	LPQVBEGHUATCIG-VZRKHXGSSA-N	373.497	2.439	10	10	FECE	
COc1ccc(N2CCN(C(=O)Nc3cc(C(N)=O)ccc3C)CC2)cc1	58450875	HGFSGJRKLQNYGH-UHFFFAOYSA-N	368.437	2.457	10	10	FECE	
COc1ccc(O)c(CNC(=O)c2cccc(CN3CCCC3=O)c2)c1	114541659	CXMVRRABGAGZNP-UHFFFAOYSA-N	354.406	2.453	10	10	FECE	
Cc1ccc([C@@H]2CC(=O)NC(NC(=O)c3cccc(N(C)C)c3)=N2)cc1	20924311	KFFLYXIDVLNSSH-KRWDZBQOSA-N	350.422	2.408	10	10	FECE	
CC(=O)N1CC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)C1	176283999	XSFJMBNQHPXIIQ-AZUAARDMSA-N	373.497	2.129	10	10	FECE	
Cc1n[nH]c([C@@H]2CN(Cc3cc(Br)cc(C)c3O)CCO2)n1	180612153	LLEDYMNEEOWTOQ-ZDUSSCGKSA-N	367.247	2.463	10	10	FECE	
CCN1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C(C)(C)C1=O	188154737	JJZNVBIGJKPOFZ-JXMROGBWSA-N	371.481	2.006	10	10	FECE	
Nc1ccc(Oc2ccc(NC(=O)N[C@@H]3C=CS(=O)(=O)C3)cc2)cc1	40166595	HPDDIAMZSWOHBX-CQSZACIVSA-N	359.407	2.493	10	10	FECE	
Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)c(O)c1O	248414083	MEWCJXNUXLFJOP-RHSMWYFYSA-N	355.438	2.442	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N1CCOc2ncccc21	255532070	AEPJNSNMRRKKLG-YVMONPNESA-N	351.406	2.357	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cccc(C2CC2)n1	294055212	GURLUGYOQZQQRO-NSHDSACASA-N	355.394	2.056	10	10	FECE	
CO[C@](C)(c1noc(-c2cc(NS(C)(=O)=O)ccc2O)n1)C1CC1	810333535	DOOUFAUPAZMPLU-HNNXBMFYSA-N	353.400	2.085	10	10	FECE	
C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1csc(Cc2ccc(N)cc2)n1	817918194	WYBCDOQQTTWVQL-AAEUAGOBSA-N	358.467	2.042	10	10	FECE	
Cc1cc(CC(=O)NC[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1	820935347	QGVRCRXBVSEHNY-MRXNPFEDSA-N	360.479	2.188	10	10	FECE	
C[C@@H](c1nccs1)N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	588479486	WXJQXYUTTDKKSC-DXTPNHAXSA-N	359.451	2.473	10	10	FECE	
CCS[C@@H]1CCCCN(Cc2cc(O)n3ncc(C(=O)O)c3n2)C1	737893253	BVXZICSWLCJOQD-GFCCVEGCSA-N	350.444	2.241	10	10	FECE	
CN1CCN(c2ccc(CN3CCCC[C@@H]3[C@@H]3C[C@@H](N)CCO3)cc2)CC1	844910445	IIYCCOVAADVUMS-NNWRFLSQSA-N	372.557	2.299	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC=CC23CCCCC3)c1	912478789	RXDLBQIEJHVEDT-UHFFFAOYSA-N	350.440	2.479	10	10	FECE	
C[C@@H](NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1cnn(C)n1	925676836	MDBKEXJPIFOIIU-MRXNPFEDSA-N	354.502	2.198	10	10	FECE	
CO[C@@]1(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CCSC1	925197188	DKBWNRXUIPKZGS-MRXNPFEDSA-N	370.858	2.332	10	10	FECE	
COC[C@H](CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)OC	854293944	YUZOHRBPXYDFDX-IRXDYDNUSA-N	366.458	2.134	10	10	FECE	
CC[C@H](NC[C@@]1(CO)COCC2(CCC2)N1C)c1ccc(N(C)C)cc1	858466220	XJGIOSIMOUISTE-PZJWPPBQSA-N	361.530	2.409	10	10	FECE	
COc1ccc(N2CCC(NCC(C)(C)CS(C)(=O)=O)CC2)cc1	922736921	OLGZEWICFKTSOQ-UHFFFAOYSA-N	354.516	2.324	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CC[C@H]3CC[C@@H](C2)[S@]3=O)c([N+](=O)[O-])c1	858793450	GBQLXVYLPAFGMP-KBQFTDGKSA-N	364.423	2.271	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)NCCC2CCS(=O)(=O)CC2)c1	756780394	TWPYWWQUBYQFRM-LBPRGKRZSA-N	355.456	2.044	10	10	FECE	
CCO[C@H](C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CCOC1	868956142	LCPPKCSFOOPXNU-GJYPPUQNSA-N	362.470	2.079	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)NCC2C[C@@H]3CC[C@H](C2)S3(=O)=O)c1	872118867	KMTITEQWTROMSP-YPRXJGMQSA-N	367.467	2.185	10	10	FECE	
O=C(O)c1nnn(C2CCN(Cc3ccccc3O)CC2)c1C(F)F	1119597213	LISJTEJEQYCLES-UHFFFAOYSA-N	352.341	2.457	10	10	FECE	
Cc1cc(C(=O)NCCC2CS(=O)(=O)C2)c(C)n1-c1ccc(F)cc1	787455102	GOZAJMNIXQNYSO-UHFFFAOYSA-N	364.442	2.398	10	10	FECE	
C[C@H](NC(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(N(C)C)cc1	790833276	BUSBKKIOIMKYPM-JLJPHGGASA-N	351.491	2.271	10	10	FECE	
CSc1nc(O)cc(CNC(=O)c2cc3cc(O)c(O)cc3s2)n1	1143620142	MHNVHLCRUXGKQR-UHFFFAOYSA-N	363.420	2.460	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)N[C@@H]3C[C@@H]4CCCC[C@@H]43)C2)cc1	1353818370	QLHAHZCIYZGLMK-STEAMIEHSA-N	371.481	2.085	10	10	FECE	
CON(C)CCCNC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1	1163563528	VNKXOKOJORZPFH-UHFFFAOYSA-N	357.454	2.449	10	10	FECE	
CN1CCc2cc(CNC[C@]3(NC(=O)OC(C)(C)C)CCOC3)ccc21	688503811	VMGJMGLCTIVOGA-HXUWFJFHSA-N	361.486	2.452	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H]3CCC[C@H](F)C3)nc12	1331990318	VIDVRYYGBSHTHA-QWRGUYRKSA-N	365.361	2.183	10	10	FECE	
Nc1ccc(CCNC(=O)C(=O)N[C@@H]2[C@@H]3Cc4c(Cl)cccc4[C@@H]32)cc1	1331606208	SPCPRZYTSMWVKS-BPQIPLTHSA-N	369.852	2.035	10	10	FECE	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@]1(CO)COCC2(CCC2)N1C	1348111022	QRJOETAFBJPJLA-XFQAVAEZSA-N	360.498	2.454	10	10	FECE	
Cc1cc(CNC(=O)N2C[C@@H](CCO)[C@@H](CO)C2)c(C)n1-c1ccccc1	1519515874	WXRXTFQZQRIQLX-IEBWSBKVSA-N	371.481	2.226	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CC(=O)N(CCC(F)(F)F)C2)cc1	1449768663	VXMMZFDNQHVPKC-UHFFFAOYSA-N	357.292	2.043	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](CO)[C@@H](O)c2cccnc2)cc1	1454668349	JTDMCNISWCVOSA-UXHICEINSA-N	365.433	2.313	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H](C)OCC(C)C)CC2)c(OC)c1	1534588530	UITUCEYLTBZWJB-HNNXBMFYSA-N	350.459	2.414	10	10	FECE	
Nc1ccc(F)cc1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	1626058957	OAEGCCNPNQIBQE-UHFFFAOYSA-N	365.355	2.453	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)Nc2ccc(N)cc2)C[C@@H]1CO	2122353534	YSKWCFKFRWOXDL-DOMZBBRYSA-N	364.446	2.008	10	10	FECE	
Cc1oc(C=O)cc1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	1634974306	NTJJQYGUNCQOJW-UHFFFAOYSA-N	369.421	2.032	10	10	FECE	
CCOC(=O)Cc1csc(NC(=O)CN[C@H](C)c2ccccc2O)n1	1659815623	OTSUSJKCFXDAIG-LLVKDONJSA-N	363.439	2.244	10	10	FECE	
COCCCCn1c(C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1	1749661628	POWXRZQDMZSFLA-UHFFFAOYSA-N	373.501	2.486	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N2CC(N(C)OC)C2)CCCC1	1652823795	BQNJBLQVUORDLB-UHFFFAOYSA-N	357.454	2.233	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])C[C@H]2OCC[C@H]21	2124503011	GFUNHQIYNZQKEU-RFQIPJPRSA-N	365.434	2.455	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)C1	2124532026	IDOOBXONWOJIPA-GUYCJALGSA-N	367.450	2.297	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)N[C@@H](CO)CC3CCCC3)cc2)CC1	1684874769	VBAWFCZEGAWYQZ-LJQANCHMSA-N	374.529	2.179	10	10	FECE	
CC(C)(C)OC(=O)N1CC=CC[C@H]1C(=O)NCCc1ccc(O)c(O)c1	1968739752	WAHUBZKCXDOFSQ-AWEZNQCLSA-N	362.426	2.322	10	10	FECE	
CN(CCOCCNCc1cc2c(cc1O)OCO2)C(=O)OC(C)(C)C	705951027	SGEZBWOXYNLHHL-UHFFFAOYSA-N	368.430	2.094	10	10	FECE	
CC(C)(C)OC(=O)N1CCn2cnc(C(=O)NCc3ccccc3O)c2C1	1150010195	QXBAKLFEHXSINR-UHFFFAOYSA-N	372.425	2.269	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NCc2c(O)cccc2F)C1	2052720157	IUNWQNFDXHCGPB-IUODEOHRSA-N	354.422	2.239	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)N2CCC(N=[N+]=[N-])CC2)O1	2060632469	BFYCHTZIAPRPDJ-QWHCGFSZSA-N	353.423	2.360	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060634179	WOOCIJDLODDCFY-JHJVBQTASA-N	353.423	2.170	10	10	FECE	
COC(=O)[C@H](CNC(=O)OC(C)(C)C)N(C)[C@@H](C)c1ccccc1O	2072449804	CUWXGCIMSMRBHR-JSGCOSHPSA-N	352.431	2.451	10	10	FECE	
CN1CCc2cc([C@H](N)[C@]3(O)CC[C@@H](NC(=O)OC(C)(C)C)C3)ccc21	2106851489	UOLZPUAYDLFLRH-SYNHAJSKSA-N	361.486	2.487	10	10	FECE	
CC(C)(C)OC(=O)N1CCOCC[C@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2257615028	KZDNVYYRSIUSSB-ZDUSSCGKSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(C(=O)COc1ccc(N)cc1)C2	2272650321	KYXRBPGAMNPWFW-DJJJIMSYSA-N	361.442	2.021	10	10	FECE	
CN(c1cccnn1)C1CCN(C(=O)C=Cc2ccc(O)c(O)c2)CC1	2307987351	UUVASHXVAAQLNR-UHFFFAOYSA-N	354.410	2.028	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@]12CN(C(=O)OC(C)(C)C)C[C@H]1CCO2	2315991872	DOTMSFPKVUBYEN-WBMJQRKESA-N	353.423	2.171	10	10	FECE	
CN(Cc1ncc(I)cn1)Cc1ccccc1O	2327885941	GIWGOVXNFZQBPI-UHFFFAOYSA-N	355.179	2.419	10	10	FECE	
CN(C)c1ccc(CNC(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)cc1	28669530	OABHGQGVQVYVAC-MDWZMJQESA-N	373.478	2.454	10	10	FECE	
Cc1cc(CC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)n[nH]1	92126383	DEKYFWZNTPVHQU-UHFFFAOYSA-N	367.497	2.109	10	10	FECE	
NC(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cn1	271248502	WJIHECQGEGVGGS-HNNXBMFYSA-N	370.409	2.099	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CCC[C@H](c3nc(=O)[nH][nH]3)C2)c1O	289554640	XLRZJQOPDBGNKJ-JTQLQIEISA-N	350.806	2.039	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N(C)[C@@H]2CCN3CCO[C@H]2C3)cc1	296493290	YDVHLULFIBNCDW-MOPGFXCFSA-N	360.502	2.147	10	10	FECE	
COc1cnc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)nc1	845932788	KPZYHYAJWKBNAM-UHFFFAOYSA-N	369.425	2.372	10	10	FECE	
Cc1cc(Br)cc(CN2C[C@@H](C)N(CCO)C[C@H]2C)c1O	841891827	PSFPVVYRNONGTB-CHWSQXEVSA-N	357.292	2.350	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1	841776660	VVLPKABMCZVRFI-VOJFVSQTSA-N	371.393	2.075	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2cnc[nH]2)C1	683487280	XEBRHIGSFIYLHQ-UHFFFAOYSA-N	351.454	2.447	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN[C@@H]2CCC[C@H]2Cc2cnn(C)c2)cc1	852561993	YVCQFNYTLIDEBX-AZUAARDMSA-N	369.513	2.103	10	10	FECE	
COC(=O)N(C)CCN(C)C(=O)c1csc(Cc2ccc(N)cc2)n1	851646170	XXXQFDGZUGBBKG-UHFFFAOYSA-N	362.455	2.086	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)cc1	855234824	NRVZTZMPILTMSI-CYBMUJFWSA-N	356.382	2.194	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccsc3)C2)cc1	852452927	FNTWLZJKUVOVER-WMLDXEAASA-N	361.467	2.368	10	10	FECE	
Cc1ccc(O)c(CNC(=O)[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)c1	869410565	MCQALQBHPMBZLL-LJQANCHMSA-N	364.442	2.343	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCC[C@H](S(C)(=O)=O)C2)c1	764678234	LGRZZTSJOXMGTE-LBPRGKRZSA-N	362.289	2.472	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3ccc(C=O)s3)CC2)cc1	865033101	BVIAWKOGJHONMB-UHFFFAOYSA-N	373.478	2.121	10	10	FECE	
C[C@@H](CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)n1cccc1	894597262	JTHDXOOUZILKST-INIZCTEOSA-N	368.481	2.457	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)C(F)(F)C2(O)CCC2)N(C)C)cc1	1158718283	WRZCTDSNXXHFSM-OAHLLOKOSA-N	355.429	2.022	10	10	FECE	
CC(C)[C@H](C(=O)NCc1cccc(O)c1O)N1Cc2ccccc2C1=O	1521851705	PXUJPBYNSGFJFK-QGZVFWFLSA-N	354.406	2.395	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2ccc(O)c(O)c2)COC1(C)C	2118176937	WOCRBLQNOLCVCG-GFCCVEGCSA-N	366.414	2.200	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCS(=O)(=O)c3ccccc3C2)cc1	1625760566	KXNVXTYTTACCHP-UHFFFAOYSA-N	372.406	2.279	10	10	FECE	
Cc1nnc(N2CCO[C@@H](C)C2)n1Cc1ccc(N2CCSCC2)cc1	1492945832	YGCUIDNFOCPBCE-HNNXBMFYSA-N	373.526	2.413	10	10	FECE	
O=C(NCc1ccc(O)cc1O)[C@@H]1Cc2cc(Br)ccc2O1	1557085207	FGFSUFYHTSTXMX-HNNXBMFYSA-N	364.195	2.480	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1coc(SC)c1	1567306562	SYPOIPAFHQZRTF-LBPRGKRZSA-N	365.407	2.317	10	10	FECE	
CN(C)c1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)N(C)C)cc1	1651499196	VBTITHFVGJOSPP-GOSISDBHSA-N	371.441	2.475	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)Cc3cc(F)ccc3O)cc2)CC1	1589178444	CTMZWVKEPXEHMW-UHFFFAOYSA-N	357.429	2.142	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H](C(=O)N2CCC(CN=[N+]=[N-])CC2)C1	2124511679	GSNMBRYDOTWWMS-AWEZNQCLSA-N	367.450	2.419	10	10	FECE	
CCc1noc([C@H]2CC[C@@H](NC(=O)NCc3ccc(OC)cc3O)C2)n1	1684437195	QAPNWLCBWNVYBJ-WCQYABFASA-N	360.414	2.482	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)c3cccc(O)c3O)C[C@H]2C1	1965088419	GKGYTLAHBYHDKC-ITGUQSILSA-N	362.426	2.473	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)N3CCC(N=[N+]=[N-])CC3)O2)C1	2140442503	CBIUCTSTDOCWIC-ZDUSSCGKSA-N	365.434	2.456	10	10	FECE	
CN(C[C@H](O)COCc1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCCO2	1917272584	MLUYBYJKZJUFIO-HNNXBMFYSA-N	374.393	2.380	10	10	FECE	
COc1cccc(O)c1CNC[C@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1	1967888935	LQWLOLNFUFZRJY-KBPBESRZSA-N	366.458	2.420	10	10	FECE	
C[C@H](NC[C@@H]1COCCN1C(=O)OC(C)(C)C)c1ccc(O)cc1O	310644475	HZGDPVBULVISQE-QWHCGFSZSA-N	352.431	2.384	10	10	FECE	
CN[C@@H](c1ccc2c(c1)CCN2C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C	2163144121	LLDJOPYJHWNOHL-MOPGFXCFSA-N	374.529	2.491	10	10	FECE	
CC(C)(C)OC(=O)NCC1(CNCc2cc(F)cc(F)c2O)COC1	2056736395	JVTOUMAETVAPJR-UHFFFAOYSA-N	358.385	2.301	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1CC(=O)N1CC[C@H](N=[N+]=[N-])C1	2060612044	BIYODKWKOGMYID-FRRDWIJNSA-N	353.423	2.218	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)CO1	2060608768	LTHFEORCXYMMJD-UPJWGTAASA-N	353.423	2.312	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)c1nc(=NCc2cccc(F)c2O)[nH][nH]1	2066589696	AZKGBACVEBSESU-SECBINFHSA-N	351.382	2.269	10	10	FECE	
C[C@H](CN(C)C(=O)OC(C)(C)C)N(C)c1cc2c(cc1N)OCC(=O)N2	2111805241	JZXZXYANBLOWKP-LLVKDONJSA-N	364.446	2.291	10	10	FECE	
CC(C)(C)OC(=O)NCc1n[nH]c(=NCc2ccc(F)c(F)c2O)o1	2083267550	RTXVYJDTSNSEEX-UHFFFAOYSA-N	356.329	2.112	10	10	FECE	
CCOC[C@@](O)(CNC(=O)OC(C)(C)C)[C@@H](N)c1ccc(N(C)C)cc1	2106858857	BPCRDISFUIHGIJ-LPHOPBHVSA-N	367.490	2.045	10	10	FECE	
CCN1CCc2cc([C@H](N)C3(O)CC(NC(=O)OC(C)(C)C)C3)ccc21	2106848895	OGCOEFWQFZEEHP-CMVHYPBASA-N	361.486	2.487	10	10	FECE	
Cc1noc([C@@H]2COCCN2Cc2cc(Cl)cc([N+](=O)[O-])c2O)n1	188470006	FKDOIOQCYUAMMM-LBPRGKRZSA-N	354.750	2.219	10	10	FECE	
Oc1cc2c(cc1CN1CCN(Cc3nccn3C(F)F)CC1)OCO2	92614597	TXOVIONJOGEQQR-UHFFFAOYSA-N	366.368	2.030	10	10	FECE	
CCOC(=O)N1CCC(NC(=O)[C@H](C)Cc2ccc(O)c(O)c2)CC1	96785379	KDBHVHVSZVIJLN-GFCCVEGCSA-N	350.415	2.014	10	10	FECE	
Cc1ccc(CN(C)S(=O)(=O)c2cnc[nH]2)c(O)c1Br	2380722701	RAPADXBEGZVXSP-UHFFFAOYSA-N	360.233	2.007	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1	808513991	ROEJGEVRSAGEQX-BBWFWOEESA-N	357.406	2.161	10	10	FECE	
CC(C)(C)C[C@@H](O)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	291537068	USPKLJWIMZFNRC-HNNXBMFYSA-N	352.450	2.466	10	10	FECE	
CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)[C@H](C)C1	807673903	BBPIYRCPZIUDSP-MDZRGWNJSA-N	374.529	2.119	10	10	FECE	
COc1ccc(N2CCN(C(=O)COC(=O)[C@@H]3CC[C@H]4C[C@H]4C3)CC2)cc1	817204910	XXGBVNBKPLBSFD-BBWFWOEESA-N	372.465	2.323	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)N[C@H](C)c3ccsc3)C2)cc1	827714367	BTEUFVIGRBNVKC-UKRRQHHQSA-N	373.478	2.329	10	10	FECE	
COC(=O)CCCCNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	726245574	KPHQJHZLZUEQRZ-OAHLLOKOSA-N	363.458	2.227	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H](OC(F)F)C1	839338949	GBOZGAWTQBLEGB-AWEZNQCLSA-N	370.396	2.361	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NCC[C@@]2(O)CCOC2)c1O	848555162	MEPLSLRKKSKJMT-MEBBXXQBSA-N	360.248	2.355	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)c3cccc(OC)c3)C2)cc1	849417405	QLWWDBYGOUXAPQ-CQSZACIVSA-N	362.451	2.261	10	10	FECE	
COc1ccc(N(C)C[C@@H](O)COc2ccc3c(c2)OCO3)c(OC)c1	752126322	PUUKMFTVHVKLGG-CYBMUJFWSA-N	361.394	2.309	10	10	FECE	
COc1ccc([C@H]2[C@H](C(=O)NCc3c(O)cccc3F)CC(=O)N2C)cc1	928705275	IQRBITUJETVAHU-KUHUBIRLSA-N	372.396	2.376	10	10	FECE	
CCOC1(CS(=O)(=O)NCc2cc(Cl)ccc2O)CCOCC1	859206346	KYDCGYZRCZJMJV-UHFFFAOYSA-N	363.863	2.051	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)c1ccoc1C1(O)CCOCC1	862026539	RWVDILDCBYEHRV-UHFFFAOYSA-N	368.389	2.461	10	10	FECE	
COC(=O)[C@]1(OC)CCN(Cc2cc(C)cc(Br)c2O)C1	862475547	OFUCNTBRWPSOHQ-HNNXBMFYSA-N	358.232	2.227	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3C[C@H]4C=C[C@H]3O4)cc2F)C[C@@H](C)O1	1119763224	ODJOPZSHCTYZQC-BYMDKACISA-N	360.429	2.399	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)C1CN(CC(F)(F)F)C1	776335196	HGMFRMFIHVKZFG-UHFFFAOYSA-N	373.444	2.350	10	10	FECE	
COCCN(Cc1ccnn1C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	787316872	FKZNORUWYBBPKZ-HNNXBMFYSA-N	359.474	2.405	10	10	FECE	
C[C@H](NC(=O)C1CC(O)(CNC(=O)OC(C)(C)C)C1)c1ccccc1O	1877567903	PTLDTZMXFBVJDC-GLIABKTBSA-N	364.442	2.235	10	10	FECE	
O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1cc2cc(O)c(O)cc2s1	896308200	BVYDMDSXIFDEBQ-MRVPVSSYSA-N	374.340	2.206	10	10	FECE	
Cc1cc(C(=O)CN2C[C@H]3C[C@@]3(CO)C2)c(C)n1-c1ccc2c(c1)OCO2	782607155	SYQIAVQVPGDHKV-VFNWGFHPSA-N	368.433	2.320	10	10	FECE	
CS(C)(=O)=NCC1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	1347863593	JEFKQGVAVJLTLG-XQRVVYSFSA-N	352.456	2.077	10	10	FECE	
Cn1nccc1[C@@H](O)C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1	1453962835	LOJRPBZVSRPZRA-INIZCTEOSA-N	370.413	2.168	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(O)c(O)c2)C(C)(C)C1	1293431978	NIMSVXMWIAIARU-UHFFFAOYSA-N	364.442	2.498	10	10	FECE	
C[C@H](NC(=O)[C@H]1CN(C(=O)C(C)(C)C)CCO1)c1ccc(N(C)C)cc1	1523203328	XEOMFYHUWNFHKP-WMLDXEAASA-N	361.486	2.203	10	10	FECE	
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCc2c(O)cccc2O)cc1	1456235765	NXQPZMXJPROZIN-INIZCTEOSA-N	354.406	2.214	10	10	FECE	
C[C@@H](NC(=O)[C@@H]1CN(C(=O)C(C)(C)C)CCO1)c1ccc(N(C)C)cc1	1523203316	XEOMFYHUWNFHKP-PBHICJAKSA-N	361.486	2.203	10	10	FECE	
O=C(Nc1nnc(-c2ccncc2)s1)C1=S=c2ncccc2=C1Cl	1534432764	DBYZZAMPFAZXCZ-UHFFFAOYSA-N	373.850	2.151	10	10	FECE	
CON(C)C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S	1539992704	IJJKCVMSRNRTEA-FMIVXFBMSA-N	354.428	2.437	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)N2CCOCC(F)(F)C2)N(C)C)cc1	1479535644	XYUQVBQXSAJUDG-MRXNPFEDSA-N	370.444	2.032	10	10	FECE	
COc1ccc(NC(=O)c2cccc(O)c2O)cc1-n1nnnc1C1CC1	1622412646	GPIYRBROZHSHFV-UHFFFAOYSA-N	367.365	2.212	10	10	FECE	
COc1ccc(CNCC[C@@H]2CCN(C(=O)[C@@]34COC[C@@H]3C4)C2)cc1C	1717084125	IQVHRPAFUUEUFX-MMOPVJDHSA-N	358.482	2.368	10	10	FECE	
NC(=O)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(Cl)cc1	1629321894	POHURTNLCNPMMF-JPFFYJABSA-N	360.797	2.497	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)cc1	1557355071	BFCMTMHLDATROP-HNNXBMFYSA-N	361.486	2.237	10	10	FECE	
C[C@@H]1C[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1O	1726483594	HJEMNXOLLYLCKW-GDBMZVCRSA-N	369.469	2.399	10	10	FECE	
Cc1ccc(C(=O)N[C@H](CO)[C@@H]2CCOC2)cc1-n1c(C)cc(C=O)c1C	1567035289	HYVXEUFMOJXBQO-IEBWSBKVSA-N	370.449	2.342	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1	1642974718	LMDHCVQGGUYZMA-JTEMPESYSA-N	373.430	2.232	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCC(N=[N+]=[N-])CC2)C[C@@H]2OCC[C@H]21	2124503476	LMFIWXZDCXJHOD-RDBSUJKOSA-N	365.434	2.455	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@@H]1C[C@@H]2COCC[C@H]2N(C(=O)OC(C)(C)C)C1	2124537651	ALRCEHCGBDPGDC-MGPQQGTHSA-N	367.450	2.417	10	10	FECE	
Cn1nc(CNC(=O)OC(C)(C)C)cc1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2124506697	ZUZVLODHICQCCN-LLVKDONJSA-N	363.422	2.217	10	10	FECE	
CN1CCC[C@@H]2CN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)CC[C@@H]21	154058348	MFJOLVBXBISXKJ-KJRVTTDBSA-N	369.509	2.479	10	10	FECE	
Cc1cc(/C=C2/SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)ccc1F	1858595993	LMQHFSVYTPYIPX-QZULDAKNSA-N	369.395	2.263	10	10	FECE	
Nc1ccc(-n2nnc(C(=O)Nc3cccc(Br)c3)n2)cc1	1857878496	DWWAHIMALGSEHD-UHFFFAOYSA-N	359.187	2.259	10	10	FECE	
COC(=O)C1(NC(=O)OC(C)(C)C)CC(NCc2cccc(F)c2O)C1	1967852203	MEDGEDKCCZPFRS-UHFFFAOYSA-N	368.405	2.220	10	10	FECE	
O=C(OCc1ccccc1)N1CC[C@@](C(=O)O)(c2cccc(O)c2O)C1	1951723565	LDXDJPNLSQEVDH-IBGZPJMESA-N	357.362	2.463	10	10	FECE	
CCOc1cccc(CNC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1O	702798097	RZDOBKUZAHIDLD-GJZGRUSLSA-N	366.458	2.108	10	10	FECE	
CO[C@H]1C[C@H](CNCc2ccc(O)c(O)c2)N(C(=O)OC(C)(C)C)C1	2052355901	MKIMNRBHNSTFSG-KGLIPLIRSA-N	352.431	2.212	10	10	FECE	
Cc1cccc(O)c1CN[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO	2052717418	RGTOIGWXGYAALG-ZBFHGGJFSA-N	350.459	2.408	10	10	FECE	
Oc1c(F)cc(F)cc1CN=c1[nH]ccnc1I	2057935819	RQQJPCXILVQFQI-UHFFFAOYSA-N	363.105	2.099	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060619233	KOLQMQUFFNFCJP-FRRDWIJNSA-N	353.423	2.170	10	10	FECE	
CO[C@@H](C(=O)N1CCC[C@H](N=[N+]=[N-])C1)C1CN(C(=O)OC(C)(C)C)C1	2060633466	OCLLLIYYQIPVFK-QWHCGFSZSA-N	353.423	2.170	10	10	FECE	
Cc1cccc(CN=c2[nH]cnc(I)c2C)c1O	2084059733	XRZPNAIHPQYBBN-UHFFFAOYSA-N	355.179	2.438	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2218738488	PQYZCAAHIOQGKY-MROQNXINSA-N	353.423	2.358	10	10	FECE	
CNC(=O)Cn1cc(NC(=O)c2cc(C)n(-c3ccccc3)c2C)cn1	58536468	QCSSENKHTCFFEQ-UHFFFAOYSA-N	351.410	2.289	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H]3CCC[C@@H](N(C)C)C3)CC2)cc1	176636232	OJPMDVWPBUVZIU-FUHWJXTLSA-N	360.502	2.400	10	10	FECE	
COc1ccc(O[C@@H](C)C(=O)NC2=NN(c3ccccc3)C(=O)C2)cc1	21024970	RKONBYHBRYUTQA-ZDUSSCGKSA-N	353.378	2.329	10	10	FECE	
CN(CC(C)(C)S(C)(=O)=O)C(=O)NCc1ccc2c(c1)CCCN2C	119677555	PSPDYLNCOFWQQA-UHFFFAOYSA-N	367.515	2.034	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCCC[C@H]2CN2CCOCC2)cc1	111425399	MCOSCLOUUKKDPD-IBGZPJMESA-N	360.502	2.149	10	10	FECE	
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)/C=C\c1ccc(N2CCOCC2)cc1	254990441	ZXSHCYQVBYYEDL-YEWAQGRKSA-N	356.466	2.466	10	10	FECE	
CN(CCS(C)(=O)=O)c1ccc(/C=C\C(=O)O)c(Br)c1	379760278	MVDKDMFOYSWPSN-XQRVVYSFSA-N	362.245	2.028	10	10	FECE	
Cn1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(C2CCCC2)n1	905016508	SRNKKWAUMCEKHZ-IZZDOVSWSA-N	351.453	2.364	10	10	FECE	
CN(C)c1ccc(CNC(=O)Nc2cccc(O[C@@H]3CC(=O)N3)c2)cc1	840931466	WOGIBXWTEOLDDW-GOSISDBHSA-N	354.410	2.299	10	10	FECE	
Cc1cc(O)ncc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	759222941	XAGRYFMKYFNKCJ-UHFFFAOYSA-N	355.438	2.234	10	10	FECE	
Cc1cc(C(=O)COC(=O)CS(C)(=O)=O)c(C)n1-c1ccc(F)cc1	920593034	ARNHMMLTAUEWID-UHFFFAOYSA-N	367.398	2.004	10	10	FECE	
C[C@@H](NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@@H]1[C@H]2CN[C@H]1C2	925630242	OPUAEYHFTVUVJU-ZKMOHVOUSA-N	354.542	2.305	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCO[C@H]([C@H](C)O)C2)cc1	862005351	ZGOZAHGNZNCOLG-JXFKEZNVSA-N	370.449	2.057	10	10	FECE	
O=C([C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1)N1CCCC1	769405963	ZMJYBPMJQJPWPG-IBGZPJMESA-N	357.498	2.358	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2C[C@@H]2c2ccccc2)cc1F	1118148685	XTJRTOOPMMAKHD-IAGOWNOFSA-N	369.440	2.428	10	10	FECE	
COC[C@@H](C)NC(=O)Cc1noc(-c2ccc(-n3cccc3)c(F)c2)n1	771056082	FMPIXJCJEKPOBO-GFCCVEGCSA-N	358.373	2.360	10	10	FECE	
Cc1cncc(/C=C\C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1	772029263	JZYQFLZZQFNXSK-DAXSKMNVSA-N	371.462	2.243	10	10	FECE	
CCOCc1nnc(N2CCOCC2)n1Cc1ccc(N(C)C)cc1C	1314408810	QUVXTQLZHOCRFT-UHFFFAOYSA-N	359.474	2.074	10	10	FECE	
COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc2c(c1)CCN2Cc1ccccc1	1329769693	AXRPKBMMJXNMGA-FPOVZHCZSA-N	366.461	2.358	10	10	FECE	
C[C@H](NC(=O)C(=O)NCCC1SCCS1)c1ccc(N(C)C)cc1	1334123802	UBEWSRYXEVOBAX-LBPRGKRZSA-N	367.540	2.242	10	10	FECE	
COc1cc(OC)nc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)n1	1349116908	FHQXLIYESWEBIT-UHFFFAOYSA-N	356.426	2.366	10	10	FECE	
CC(C)[C@H](C(=O)NCc1ccc(O)cc1O)N1C(=O)c2ccccc2C1=O	1299570399	IWTGUJWPQMRXDM-QGZVFWFLSA-N	368.389	2.035	10	10	FECE	
Nc1ccc(OC[C@@H](O)COCCOCCOCc2ccccc2)cc1	2120312008	OOLSQJLZNYBZEP-IBGZPJMESA-N	361.438	2.259	10	10	FECE	
CCC(CC)(CO)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1479534689	NPIZUIBMPQMNAF-SFHVURJKSA-N	364.534	2.453	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2COC[C@]2(C(=O)N2CCC(N=[N+]=[N-])CC2)C1	2124541279	QQVCBYRDTBQJAL-YVEFUNNKSA-N	365.434	2.171	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2124512782	NPABPXSFJUNTHW-MJBXVCDLSA-N	367.450	2.296	10	10	FECE	
CC(=O)N/C(=C\C1=S=CC=C1)C(=O)Nc1ccc2c(c1)CCCC2=O	1570651500	CBRIZAVWGNGLSH-BOPFTXTBSA-N	354.431	2.442	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)N3CC[C@H]4[C@H](C3)C4(F)F)cc2)CC1	1684874508	RUDFHLBVYAYSPW-IRXDYDNUSA-N	364.440	2.235	10	10	FECE	
COc1cccc(CN=c2nc([C@H](C)NC(=O)OC(C)(C)C)[nH][nH]2)c1O	2130119781	VHSBAROUENQUFS-JTQLQIEISA-N	363.418	2.139	10	10	FECE	
COC(=O)C1(NC(=O)OC(C)(C)C)CC(NCc2cc(C)ccc2O)C1	1967853897	SESAVBKXSLWWSN-UHFFFAOYSA-N	364.442	2.389	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N(C)Cc2ccccc2O)CO1	1968864691	CDZCMCKCNZXUJV-HIFRSBDPSA-N	364.442	2.375	10	10	FECE	
C[C@H](N[C@H]1COC[C@@H]1CNC(=O)OC(C)(C)C)c1ccc(O)cc1O	2036598793	JDSOEXPARVMVFR-HUBLWGQQSA-N	352.431	2.288	10	10	FECE	
COc1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)ccc1O	2053475917	NCVDAJHILFPBPY-UHFFFAOYSA-N	353.421	2.467	10	10	FECE	
NCc1cnn(Cc2c(O)cccc2Cl)c1I	2070404414	LFYRCNPNPJZLIV-UHFFFAOYSA-N	363.586	2.354	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])O1	2060633533	OTHLUGVSIDBBAL-JHJVBQTASA-N	353.423	2.360	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC2(CN(C(=O)OC(C)(C)C)C2)C1	2106687485	YFGGUFLOGOADID-ZDUSSCGKSA-N	360.458	2.149	10	10	FECE	
Nc1ccc(CS(=O)(=O)N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)cc1	2104393875	QPMSJFJOKUHRCS-ICSRJNTNSA-N	371.506	2.305	10	10	FECE	
Nc1ccc(OCCN2C[C@H]3CC[C@H]2[C@H](NC(=O)C(F)(F)F)C3)cc1	2106688859	XEGOPSDNXWCGNJ-GLQYFDAESA-N	357.376	2.179	10	10	FECE	
Nc1ccc(CS(=O)(=O)NCCc2cnn(Cc3ccccc3)c2)cc1	2090090744	IMWMHJPSAZLBJP-UHFFFAOYSA-N	370.478	2.176	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](CNCc2ccc(O)cc2O)C[C@@H]2OCC[C@H]21	2090473709	RZBBXIGGFHGZAJ-LXZKKBNFSA-N	364.442	2.354	10	10	FECE	
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2218745170	LJSULGGJPISWFT-RNJOBUHISA-N	353.423	2.358	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2218746244	VYWWOSWCOCPJTJ-QNWHQSFQSA-N	353.423	2.216	10	10	FECE	
CC(C)CN1C(=O)C(=CNc2ccnn2[C@@H](C)C2CC2)C(=O)NC1=S	2295113272	YSBWRTSJMXJMJF-NSHDSACASA-N	361.471	2.049	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)C=Cc3ccnn3C)cc2F)CC1	2297502558	IOEGQVZMXCVUDP-UHFFFAOYSA-N	371.460	2.031	10	10	FECE	
CCOC(=O)[C@@H]1CCCN1C(=O)C=Cc1ccc(N2CCOCC2)cc1	2307536384	CUHVYJOARAXROZ-SFHVURJKSA-N	358.438	2.091	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@H]1C(=O)N1CCc2cc(O)c(O)cc2C1	2341196823	ODHHKSFJHQDBNR-TZMCWYRMSA-N	362.426	2.143	10	10	FECE	
O=[N+]([O-])c1ccc(O)c(CN2CCN(C[C@H](O)c3ccccc3)CC2)c1	170935689	JIPVZKPKNUTYQM-IBGZPJMESA-N	357.410	2.152	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3CC[C@@H](N4CC=CC4)C3)CC2)cc1	174606612	WKAWYYSCRIOOFF-LJQANCHMSA-N	370.497	2.320	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2c(c1)NC(=O)C2	187685244	AGMCZWWNBUUXAT-UHFFFAOYSA-N	365.433	2.290	10	10	FECE	
COc1cc(Br)cc(CN2CCO[C@]3(CCOC3)C2)c1O	187543099	JACAQBBRTRBHJJ-OAHLLOKOSA-N	358.232	2.155	10	10	FECE	
Cc1nn(C)c(Cl)c1/C=C\C(=O)N(C)c1ccc(S(C)(=O)=O)cc1	255912664	MGKDTVWKVVERJM-KTKRTIGZSA-N	367.858	2.462	10	10	FECE	
COC(=O)c1cccc(F)c1NS(=O)(=O)c1cccc2nsnc12	547702961	VUDSTAPJRAVKIY-UHFFFAOYSA-N	367.383	2.418	10	10	FECE	
CCN1CC[C@H]2OCCN(Cc3cc(Br)ccc3O)[C@H]2C1	293665916	OIGDTNPNWRNNSQ-GOEBONIOSA-N	355.276	2.450	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCc1cscn1	804021017	QATGENSRIWXDBN-UHFFFAOYSA-N	372.494	2.408	10	10	FECE	
CC(=O)C(=O)COC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1	808505733	NHZXYZNKFXTZMC-UHFFFAOYSA-N	374.414	2.284	10	10	FECE	
CCOc1ccc(CN[C@H](C(=O)OCc2ccccc2)[C@H](C)O)c(O)c1	816626205	ZJOZUFVHTZDUAR-LIRRHRJNSA-N	359.422	2.373	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CCCc4n[nH]cc43)C2)cc1	819584673	OITPSQIEMFIWDB-WMLDXEAASA-N	354.454	2.481	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3cnn4ccc(C)nc34)C2)cc1	819583389	WBQGBEFOSMACTA-OAHLLOKOSA-N	365.437	2.303	10	10	FECE	
CC(C)(C)OC(=O)NCCN(CC1CC1)C(=O)c1cc(O)c(O)c(O)c1	2132405631	AUHZRTXSFVLBMT-UHFFFAOYSA-N	366.414	2.180	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@H]1CCN2CCO[C@H]1C2	824494599	HHXSGRBOMRKLAM-ICSRJNTNSA-N	374.485	2.490	10	10	FECE	
CCn1nc2c(cc1=O)CN(Cc1ccc(Br)cc1O)CC2	824888458	DAFBVEHXBTYMLF-UHFFFAOYSA-N	364.243	2.290	10	10	FECE	
OC[C@@]1(NCc2cc3c(cc2O)OCO3)CCCN(Cc2ccccc2)C1	734845708	BDXJETVGXZUBTH-OAQYLSRUSA-N	370.449	2.238	10	10	FECE	
COC(=O)[C@H](NC(=O)/C=C\c1cc(C)n(-c2ccc(C)cc2)c1C)[C@@H](C)O	588488545	AVPVDIWJFVDDFY-ZINDKQITSA-N	370.449	2.454	10	10	FECE	
CC[C@H]1[C@H](CO)CCN1C(=O)NC1CCN(c2ccc(OC)cc2)CC1	838190794	LIKCVSWWEDLSPU-KXBFYZLASA-N	361.486	2.466	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)/C=C/C3(C)CCOCC3)cc2)CC1	918847162	YSDZTVOHJHVECG-BQYQJAHWSA-N	357.498	2.428	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)Nc3ccc(N)cc3)cn2)CC1	841302105	MOEPGJCCBLPPOZ-UHFFFAOYSA-N	354.458	2.127	10	10	FECE	
COc1cccc(CNc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)c1O	848562215	ITTDVYIJTRPGET-IBGZPJMESA-N	355.394	2.410	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCC3(CCNC(=O)O3)CC2)cc1F	915366772	STXMWRMMMBXONO-UHFFFAOYSA-N	364.421	2.066	10	10	FECE	
C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)NCc3c(O)cccc3F)O2)[C@H]1C	924049041	DEDYZTNJVIBECG-ZVZLLHMNSA-N	352.406	2.303	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(CC4CC4)C3)C2)cc1	852126994	KDLFBQFTTGEXID-IRXDYDNUSA-N	358.486	2.057	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@@H]2COC[C@H]2C1	851991541	QOFYCMUHMPZNQJ-IAGOWNOFSA-N	361.511	2.418	10	10	FECE	
CCS(=O)(=O)C1(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1	852260806	CGNUBLSHJAGCDT-CYBMUJFWSA-N	353.488	2.080	10	10	FECE	
NC(=O)C1CCN(c2ccc(CN[C@@H]3CCCN4CCCC[C@H]34)cc2)CC1	926872559	HBIDKYNLPMFAOB-NHCUHLMSSA-N	370.541	2.495	10	10	FECE	
CN(C)c1cnn(C2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)c1	854654303	LCDLCJSVDAPXLG-XQRVVYSFSA-N	356.426	2.237	10	10	FECE	
CCS(=O)(=O)C1(CNC2CCN(c3ccc(OC)cc3)CC2)CC1	850398157	PWIROFDZVHESAD-UHFFFAOYSA-N	352.500	2.221	10	10	FECE	
O=C(COCC(F)F)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	860242446	RKBHZKCPNVMKSG-CYBMUJFWSA-N	362.804	2.408	10	10	FECE	
C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc2cc(O)c(O)cc2s1	897421500	GVEFWYYUZMWGPG-GFCCVEGCSA-N	363.483	2.068	10	10	FECE	
COc1cccc(CNC(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)c1O	789518171	VCFWWMMQIIGNME-UHFFFAOYSA-N	373.409	2.475	10	10	FECE	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCc1cnn[nH]1	1139584601	HDICVPNBKVVUFS-UHFFFAOYSA-N	373.457	2.126	10	10	FECE	
COC[C@]1(C(=O)OC(C)(C)C)CN(Cc2cc(F)cc(F)c2O)CCO1	895443143	BMRSLUSTIWYTDM-SFHVURJKSA-N	373.396	2.230	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)NN3C(=O)[C@H](C)N(C)C3=O)c2C)cc1	1148180327	PJNCWJJRNDRLOW-ZDUSSCGKSA-N	370.409	2.030	10	10	FECE	
O=C(CCNS(=O)(=O)c1ccccc1)NCc1cc(Cl)ccc1O	1165497899	JQCFIGHHRSGUKY-UHFFFAOYSA-N	368.842	2.030	10	10	FECE	
Cc1cc(C(=O)N2CC(N3CCOCC3)C2)c(C)n1-c1ccc(F)cc1	1164194396	ZYWKWRDDWXUATG-UHFFFAOYSA-N	357.429	2.390	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNCc1ccc(O)c(O)c1O	723833000	VHMFWODUXUGVQR-DGCLKSJQSA-N	352.431	2.396	10	10	FECE	
COc1ccc(CN[C@@H]2CC[C@H](CNC(=O)Cn3ccnc3)C2)cc1C	1263932877	CMKGVHOIXJUKOM-ZWKOTPCHSA-N	356.470	2.275	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@]2(C)CC2(F)F)cc1	1347451142	RBNCMBIYEGLQJI-KRWDZBQOSA-N	353.413	2.311	10	10	FECE	
C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)CNC(=O)[C@@H]1C[C@H]1C1CC1	1285228893	LPZFNAGTEQAWQI-KNXALSJPSA-N	371.441	2.377	10	10	FECE	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ns[nH]c2=O)cc1	1469613075	NOCMULHFKSDPFO-UHFFFAOYSA-N	360.361	2.102	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCN(C(=O)c2cccc(Cl)c2)CC1	1542624489	FPRAJJNJMUYGCZ-UHFFFAOYSA-N	374.824	2.278	10	10	FECE	
Cc1ccc(C(=O)Nc2cccc(C3CC(=O)NC(=O)C3)c2)c(O)c1O	1637263558	BZIKMAXTNYAOJJ-UHFFFAOYSA-N	354.362	2.179	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)c2cc(F)cc3nn[nH]c23)N(C)C)cc1	1637004822	RGYUFGOPSCKJOW-QGZVFWFLSA-N	370.432	2.196	10	10	FECE	
CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1CC(F)(F)F	1723562670	GVOPEMVNVCQTAL-UHFFFAOYSA-N	371.363	2.321	10	10	FECE	
C[C@H](NC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1)c1ccccc1O	1648892266	SSCLMSJCVPRCRL-CIISACIHSA-N	358.419	2.274	10	10	FECE	
O=C(CN1CCCC2(CC2)S1(=O)=O)NCc1c(O)ccc2ccccc12	1645442852	BELCZWIDACKTHK-UHFFFAOYSA-N	374.462	2.120	10	10	FECE	
CN1C(=O)c2ccccc2[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1	1587313157	KFWGKXRGVBUZER-OAHLLOKOSA-N	351.366	2.406	10	10	FECE	
CCN(CC)c1ccc(Cn2c(C)nnc2N2CC[C@](C)(C(N)=O)C2)cc1	1746085268	AWMJFSXGYWMZFM-FQEVSTJZSA-N	370.501	2.183	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H](CCNC(=O)Nc2ccc(N)cc2)C1	2124753192	VOFHEMMPFNVPND-OAHLLOKOSA-N	364.446	2.416	10	10	FECE	
CCOCCN(CC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1687807613	VHTZPNIVWBUKEM-GOSISDBHSA-N	350.507	2.423	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCOC[C@@H]1C[C@@H](O)c1ccco1	1772911362	QWGYGBAYFQTZHO-AMIJHBNWSA-N	359.378	2.055	10	10	FECE	
Cc1cc(CCNC(=O)N2CCOC[C@H]2CO)c(C)n1-c1ccccc1	1684443937	GSTDLZKXNXUUIN-LJQANCHMSA-N	357.454	2.039	10	10	FECE	
COc1ccc(O)c([C@H](C)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)c1	2126903047	RLYAQXNMMRQSOG-NUTKFTJISA-N	366.458	2.422	10	10	FECE	
CC(=O)Oc1ccccc1/C=C1\SC(=S)N(CCC(=O)O)C1=O	15034365	SIKNKMPBUSOILB-WQLSENKSSA-N	351.405	2.288	10	10	FECE	
CN(C)c1ccc(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1F	152749081	IAMBNWFLKWTQIL-UHFFFAOYSA-N	367.402	2.420	10	10	FECE	
Cc1ccccc1C(=O)N[C@H](C(=O)NCc1ccc(O)c(O)c1)C(C)C	159088445	UUVDFMCJTXLRAX-SFHVURJKSA-N	356.422	2.477	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3CCCCC34OCCO4)CC2)cc1	1873831376	IMEJMZLCHJIYCN-GOSISDBHSA-N	360.454	2.277	10	10	FECE	
Cc1cccc(CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2CO)c1O	2052718883	ZYDBMAYCPBTHNZ-HOTGVXAUSA-N	350.459	2.408	10	10	FECE	
CCO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N1CC[C@H](CN=[N+]=[N-])C1	2060640565	WPXYDSAQWJHSLH-CHWSQXEVSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](C(=O)N1CC[C@H](N=[N+]=[N-])C1)[C@H]1CCOC1	2060612954	LYFYUPFIRUWCFU-AVGNSLFASA-N	353.423	2.075	10	10	FECE	
CCc1cccc(CN[C@]2(CO)CCN(C(=O)OC(C)(C)C)C2)c1O	2070053413	IJICWBAZQNBQMZ-LJQANCHMSA-N	350.459	2.416	10	10	FECE	
C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)CCc1ccc(N)cc1	2106703772	UCYPWTYXDKXNJK-FZMZJTMJSA-N	357.376	2.259	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])CC1	2225794977	JXTIENPLJPKQOU-CHWSQXEVSA-N	367.450	2.486	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H](CCC(=O)NCc2ccccc2O)C1	2277761331	NBGXPKPHFYJVNG-OAHLLOKOSA-N	364.442	2.425	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)NCc1ccccc1O)[C@H]1CCOC1	2259863121	PJPFXNUKURINJO-AWEZNQCLSA-N	350.415	2.034	10	10	FECE	
CCNS(=O)(=O)c1ccc(C=CC(=O)N(C)Cc2ccccc2O)cc1	2299692290	AKXGDYJACZNRLG-UHFFFAOYSA-N	374.462	2.362	10	10	FECE	
CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)C=Cc1ccc(N2CCOCC2)cc1	2308371685	MCIFACQFYQVQDR-JKSUJKDBSA-N	360.454	2.240	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COC[C@]1(C)C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2312334259	QKXSWVBCGWSQIP-YRORDHRNSA-N	353.423	2.264	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C2(CC2)CO1	2315986652	GTIGJMQFPWBMIB-LBPRGKRZSA-N	353.423	2.314	10	10	FECE	
CN[C@@H](c1ccccc1O)[C@H](O)C1(NC(=O)OC(C)(C)C)CCOCC1	2341444285	AMIOMEWMOILTMB-HOTGVXAUSA-N	366.458	2.088	10	10	FECE	
Cc1occc1C(=O)NC1CCN(Cc2cc3c(cc2O)OCO3)CC1	66795758	DUTANDYZNBZHEM-UHFFFAOYSA-N	358.394	2.417	10	10	FECE	
CN1C(=O)C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)[C@H]1c1ccc(F)cc1	122806134	SHEWRGZDMKCALZ-DNVCBOLYSA-N	372.396	2.115	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)C1CCN(C(=O)c2ccccc2)CC1	269427012	FXBVNTPIBCVAOJ-UHFFFAOYSA-N	368.433	2.309	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NCc1ccc(Cl)cn1	806721137	BTNYTKRVGUMKET-UHFFFAOYSA-N	370.840	2.044	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1	808519792	FFVJERBSLYXVJW-GOSISDBHSA-N	369.373	2.355	10	10	FECE	
Cn1nccc1[C@@H]1COCCN1Cc1ccc(Br)cc1O	826142570	FQRSUVMHWVYYCQ-AWEZNQCLSA-N	352.232	2.462	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](CN1CCOCC1)c1ccccc1	588403478	KCMOCFDTDABMRS-CNRGFGOASA-N	368.433	2.301	10	10	FECE	
NCCc1ccccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	846673831	XIHSLHHQPCAOSF-UHFFFAOYSA-N	371.456	2.218	10	10	FECE	
COC(=O)c1ccnc(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1	841101215	SDDWRBIFPVHKHV-UHFFFAOYSA-N	369.421	2.276	10	10	FECE	
COCc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)OC)oc1C	840918580	VNSDYLOWSRJKMQ-UHFFFAOYSA-N	355.368	2.027	10	10	FECE	
NCc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1	844173487	FNFGRSJYXLTWDE-UHFFFAOYSA-N	353.466	2.284	10	10	FECE	
CC1CCN(c2ccc(CNS(=O)(=O)[C@H]3CCCNC3)cc2)CC1	923609069	USZLRYYQMOULKK-SFHVURJKSA-N	351.516	2.094	10	10	FECE	
COc1cc(Br)cc([C@H](C)NC[C@H](O)[C@H]2CCCO2)c1O	858472341	YFCKWRKQAOKTOH-TVYUQYBPSA-N	360.248	2.354	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCN2C(=O)OCC[C@@H]2C1	763480148	WZEZJVDNCIRUIX-QGZVFWFLSA-N	358.442	2.023	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCn4cc(C)nc4C3)C2)cc1	862035637	ZZLGVMCYFBCJEV-SJORKVTESA-N	368.481	2.405	10	10	FECE	
Cn1cc([N+](=O)[O-])cc1C(=O)NCc1cc(Br)ccc1O	796639793	LBEGLPZQNDRUNP-UHFFFAOYSA-N	354.160	2.331	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)cc1	1141326009	CYVPBHMSHUDFKD-UHFFFAOYSA-N	372.429	2.213	10	10	FECE	
O=S1(=O)CCC[C@@]12CCN(Cc1cccc(Br)c1O)C2	708629867	CLQYXSANNFZKJV-AWEZNQCLSA-N	360.273	2.308	10	10	FECE	
N[C@@H]1C(=O)Nc2cc(N3C[C@@H]4CSC[C@H]4C3)c(Br)cc21	711585200	YGWXHIZYFFCWAU-RBDZCENOSA-N	354.273	2.200	10	10	FECE	
O=C(NCc1ccccc1)[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	1299833205	ICSNNETWDMPFPL-UGAXZCSASA-N	366.417	2.276	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCC(Oc2cncc(Cl)n2)CC1	1467361181	JGFXMLSPQMJRAX-UHFFFAOYSA-N	363.801	2.154	10	10	FECE	
Cc1cccc(N2N=C(C(=O)NCc3ccc(O)cc3O)CCC2=O)c1	1626837814	FYNQCGHVXTWRAL-UHFFFAOYSA-N	353.378	2.205	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(CO)nc3)cc2F)C[C@H](C)O1	1630555380	LRQZNMVKZVWPHO-KBPBESRZSA-N	373.428	2.257	10	10	FECE	
COc1ccc(N2CCCN(C(=O)NCCN3CC[C@@H](C)C3)CC2)cc1	1565427934	SKOVILLHVWMJSC-QGZVFWFLSA-N	360.502	2.259	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@]1(C)COC[C@H]1NC(=O)OC(C)(C)C	2124376995	OUBMUXDGVRXEIB-DNVCBOLYSA-N	364.442	2.280	10	10	FECE	
Cn1[nH]c(=NC(=O)OC(C)(C)C)cc1C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2124543539	SRTFPZHCLNCKTR-LLVKDONJSA-N	363.422	2.494	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](O)C[C@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2124538545	KUEPENIRMSBLQU-RDBSUJKOSA-N	367.450	2.438	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)CC(F)(F)C1	2127787963	BTEJDNVVZNEKMP-NSHDSACASA-N	372.368	2.472	10	10	FECE	
Cc1c(OCCC(=O)NC(C)C)c(=O)ccn1CCOc1ccc(N)cc1	1857919705	SZJBWWBJIXCOAR-UHFFFAOYSA-N	373.453	2.111	10	10	FECE	
CO[C@@](C)(CCN)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	1951991794	CSDDBAFZZXAOKZ-QAPCUYQASA-N	354.447	2.288	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CN[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@H]2O	1974155889	CMDBMGRIGLCREY-CUNNUPQLSA-N	362.651	2.028	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](NCc2cc3c(cc2O)OCO3)CCO1	2037785882	UNGTZSXUFLYGGV-LBPRGKRZSA-N	352.387	2.152	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2cc(N)ccc2O)CCO1	2044613970	HSKSRDNOFYGUMS-WBMJQRKESA-N	351.447	2.088	10	10	FECE	
CN(C)c1ccc([C@@H](O)c2cnn(C)c2I)cc1	2044712404	BRIVXNMOYPDVFH-GFCCVEGCSA-N	357.195	2.172	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)CC12CC2	2049782493	JNUXVOYNORZNCR-IHRRRGAJSA-N	350.459	2.432	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2060634091	VHZOPSDIFRHTND-OZVIIMIRSA-N	353.423	2.218	10	10	FECE	
COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2060634233	XDATUDYYLRPABG-QWHCGFSZSA-N	355.439	2.465	10	10	FECE	
CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2060610864	MNEUJXFRXUHKBZ-STQMWFEESA-N	354.455	2.133	10	10	FECE	
C[C@@H](c1ccccc1O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O	2081031266	QGJUJVMLFUOEBC-JSGCOSHPSA-N	350.415	2.459	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@H]2NC(=O)COc1ccc(N)cc1	2106266796	XAZYASWBIHNFGK-INWMFGNUSA-N	361.442	2.162	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C(=O)Nc2ccc(N)cc2)C1	2106693767	RJSNQLMCXAQMBL-GOSISDBHSA-N	364.446	2.152	10	10	FECE	
CCN1CCN(C2=NC(=O)C(=Cc3ccc(OC)c(OC)c3)S2)CC1	2293140487	JXIANOOQEPDHNU-UHFFFAOYSA-N	361.467	2.312	10	10	FECE	
O=C(O)CCN1C(=O)C(=C2C(=O)Nc3ccc(Cl)cc32)SC1=S	2293355631	VISHSGZPGQKEFX-UHFFFAOYSA-N	368.823	2.338	10	10	FECE	
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(C(=O)O)cc3)C2=O)cc1	2296390170	YBQQMWZDOUOHCD-UHFFFAOYSA-N	350.330	2.360	10	10	FECE	
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCC(C)C	2297471387	MWGYMCXDPLNUJO-UHFFFAOYSA-N	359.426	2.481	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@]12COC[C@@H]1CN(C(=O)OC(C)(C)C)C2	2315986421	CZNPDTYIPNABSJ-LRDDRELGSA-N	353.423	2.029	10	10	FECE	
COc1cccc(CNC(=O)C2CCN(C(=O)c3ccco3)CC2)c1O	68488443	KROQYXQZEVHXKK-UHFFFAOYSA-N	358.394	2.162	10	10	FECE	
Cc1cccc2c1NC(=O)/C2=C1\SC(=S)N(CCCC(=O)O)C1=O	96602930	HNFFUHYLXZQFRG-QBFSEMIESA-N	362.432	2.383	10	10	FECE	
O=C(CNC(=O)NCCCSc1nccs1)NC1CCCCC1	152900270	RRTBXEPGMOVSHW-UHFFFAOYSA-N	356.517	2.373	10	10	FECE	
C[C@@H](CN[C@@H](C)c1ccc(N2CCC(O)CC2)cc1)CN1CCOCC1	153115157	OBAVMEADLHCBTE-ROUUACIJSA-N	361.530	2.267	10	10	FECE	
COc1ccccc1CNC(=O)N1CCN(c2ccc3c(c2)OCO3)CC1	244376018	YBQYJVBGAZUIGT-UHFFFAOYSA-N	369.421	2.456	10	10	FECE	
Cc1cc(C[C@H](C)NC(=O)/C=C\c2ccc(N3CCOCC3)cc2)n[nH]1	255682384	CVNNXWGNPZKHNP-KKTNHOPESA-N	354.454	2.315	10	10	FECE	
C[C@H](CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1)Cn1cccn1	255903871	UTYPFKIINYQEFY-CTEOGUNLSA-N	354.454	2.185	10	10	FECE	
C[C@H](O)CN(CCN[C@H](C)c1cc(O)ccc1O)C(=O)OC(C)(C)C	302114835	QWRLSFKLXPUHOD-QWHCGFSZSA-N	354.447	2.366	10	10	FECE	
COc1ccc(O)c([C@H](C)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1	702794671	HZJUGUUAEKDIAG-DCGLDWPTSA-N	366.458	2.279	10	10	FECE	
COc1ccc([C@H](CC(=O)NCc2cc(OC)ccc2O)NC(C)=O)cc1	734015464	MAUDGFWPXYGBGX-SFHVURJKSA-N	372.421	2.293	10	10	FECE	
CS(=O)(=O)N[C@@H]1CCN(Cc2cc3oc4ccccc4c3cc2O)C1	735073298	MJQGXBHECDEKCD-CYBMUJFWSA-N	360.435	2.415	10	10	FECE	
C/C=C\C[C@H]1NC(=O)N(Cc2ccc(N3CCN(CC)CC3)c(F)c2)C1=O	761285559	ZMXLNRRBFXONIR-MAVJXHJTSA-N	374.460	2.354	10	10	FECE	
c1cc(N2CCOCC2)ccc1CN[C@H]1CCCC[C@H]1N1CCOCC1	763496770	VNGRCPYDUUKOKI-LEWJYISDSA-N	359.514	2.256	10	10	FECE	
CS(=O)(=O)c1cccnc1CNC(=S)Nc1ccc(F)cc1F	782428341	UQXYGQONMFSXOC-UHFFFAOYSA-N	357.407	2.250	10	10	FECE	
COc1cccc(F)c1[C@@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1	785433938	PZKCTUPXRCRATF-CYBMUJFWSA-N	373.428	2.394	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1	808501472	JWXLCDALWWXRCA-CYBMUJFWSA-N	372.204	2.299	10	10	FECE	
Cc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)c(C)n1-c1ccccn1	820459432	RTZKAKYXSAONRL-RTBURBONSA-N	368.481	2.424	10	10	FECE	
CCOc1ccncc1S(=O)(=O)NCc1ccc2c(c1)CCCN2C	830297691	GHGBPFKYFMAIDH-UHFFFAOYSA-N	361.467	2.341	10	10	FECE	
C[C@@H]1C[C@H](S(=O)(=O)NCc2cccc(Br)c2O)CCO1	831286456	BBAUNERCVDEMCI-MWLCHTKSSA-N	364.261	2.142	10	10	FECE	
Cc1cc(C(=O)N2C[C@@H](C)N(CCO)C[C@@H]2C)c(C)n1-c1ccccn1	841455304	SFYRUQAXIJGOPS-CVEARBPZSA-N	356.470	2.016	10	10	FECE	
CCOC(=O)c1cnc(NC(=O)NCc2ccc(N(C)C)c(F)c2)n1C	841713454	KVFXRLKLLNIZSM-UHFFFAOYSA-N	363.393	2.124	10	10	FECE	
COc1ccc(N2CCCN(C(=O)C(=O)N[C@@H]3CC[C@H]4C[C@@H]4C3)CC2)cc1	842518652	SNXGVHSPNMBSRI-GVDBMIGSSA-N	371.481	2.039	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)C(=O)N(C)Cc2ccc(C)o2)cc1	846238569	LRTOCDWWUSWEPZ-UHFFFAOYSA-N	373.453	2.150	10	10	FECE	
C[C@H](NC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1)c1ccc(N(C)C)cc1	849574867	ARUHOXIXRWOTIL-CWFSZBLJSA-N	369.513	2.399	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc4c(c3)nc(O)n4C)C2)cc1	855228870	FNZUGRNWTFBFJF-CQSZACIVSA-N	366.421	2.296	10	10	FECE	
COc1ccc(OCC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1	855229734	PUYDSUFKFDLDSP-HNNXBMFYSA-N	356.422	2.478	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc([S@](C)=O)cc3)C2)cc1	855229829	RLQKMFGCNACYHC-BZQUYTCOSA-N	358.463	2.441	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ncc4c(F)cccn34)C2)cc1	862159525	SRDFRSLUHXYMLF-ZDUSSCGKSA-N	354.385	2.491	10	10	FECE	
O=C(NCCCCN1CCC[C@H]1CO)c1cc2cc(O)c(O)cc2s1	897234746	IVMGKGYHDRHKPS-ZDUSSCGKSA-N	364.467	2.279	10	10	FECE	
O=C(O)[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1C(F)(F)F	901966402	QBUNZWPDTJUODO-HUUCEWRRSA-N	358.360	2.218	10	10	FECE	
C[C@H](NCCS(=O)(=O)N=S(C)(C)=O)c1ccc2ccccc2c1O	903226855	POFNLBNCRLTYKO-LBPRGKRZSA-N	370.496	2.253	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3nc(C)n4ccncc34)CC2)cc1	1084635467	OWSROHJYYAJVSR-UHFFFAOYSA-N	351.410	2.009	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCC[C@@H](F)C3)CC2)cc1	1118155246	NFUOJAMXHGHHPR-IAGOWNOFSA-N	363.477	2.462	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CC(c3cnn(C)c3)=NO2)cc1	1135735470	PXVYPOABBVWUPV-IBGZPJMESA-N	369.469	2.418	10	10	FECE	
CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1O)OC	1513456553	RIEPESVFDPPXJV-MRXNPFEDSA-N	370.457	2.446	10	10	FECE	
CS(C)(=O)=NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	1598287605	CFEIZHUZHLQLLB-UHFFFAOYSA-N	372.358	2.238	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)N(C)C)cc1	1637004483	CLFKXEQBLZFNNR-GOSISDBHSA-N	371.441	2.276	10	10	FECE	
COc1ccc(N2CCCN(C(=O)NC[C@H]3CCCCN3C)CC2)cc1	1638829609	SYMGPEVDYJYITO-GOSISDBHSA-N	360.502	2.401	10	10	FECE	
Cc1cc(CC(=O)N2CC(N3CCOCC3)C2)c(C)n1-c1ccccc1	1639576996	HSPPUWGYJNGTON-UHFFFAOYSA-N	353.466	2.180	10	10	FECE	
Nc1ncnc2c1ncn2CCCCC(=O)NCc1cccc(Cl)c1O	1648609157	SDUWNGIYZSTHBZ-UHFFFAOYSA-N	374.832	2.254	10	10	FECE	
O=C(O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1c1ccc(O)c(O)c1O	1906074561	WCQDVZKNNMMYNO-ZIAGYGMSSA-N	373.361	2.240	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1ccc(O)cc1O	2030121583	BNTVFIWEONOVAT-GOEBONIOSA-N	352.431	2.212	10	10	FECE	
CC(C)(CCNS(=O)(=O)Cc1ccc(N)cc1)NC(=O)OC(C)(C)C	2044243574	JVRZRWQIMYHDQT-UHFFFAOYSA-N	371.503	2.382	10	10	FECE	
C[C@@H](NCC1(CNC(=O)OC(C)(C)C)COC1)c1ccc(O)cc1O	2056738803	IRUPVXVYNJGITD-GFCCVEGCSA-N	352.431	2.290	10	10	FECE	
CO[C@H](CNC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1ccccc1O	2060387036	GWFOUGPMMUQYIF-IUODEOHRSA-N	352.431	2.451	10	10	FECE	
CC(C)(C)OC(=O)N[C@@](C)(C(=O)N1CCC[C@H]1CN=[N+]=[N-])C(C)(C)O	2060639282	GHQBITACZVQVEO-ZBEGNZNMSA-N	355.439	2.342	10	10	FECE	
CN(CCOCCN(C)C(=O)OC(C)(C)C)CCOc1ccc(N)cc1	2106682674	WQJLOZOYIUMXMB-UHFFFAOYSA-N	367.490	2.463	10	10	FECE	
C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)Cc2ccc(N)cc2)C1	2106735363	YGLAPMGPGHENSY-SMDDNHRTSA-N	357.376	2.117	10	10	FECE	
CC(C)(C)OC(=O)N[C@]12CC[C@@H]1CN(CC(=O)Nc1ccc(N)cc1)C2	2106758603	ZHCSVGCSKIZVEX-YJYMSZOUSA-N	360.458	2.196	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)OC(C)(C)C	2107816370	FMGCLRJHZJEIKK-BQDHKBFISA-N	360.458	2.051	10	10	FECE	
CN(C(=O)CN(C)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)c1ccc(N)cc1	2163022535	ZHCIVOSDROIYHA-VQFNDLOPSA-N	374.485	2.029	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-])[C@@H]1CCOC1	2259903821	YDZKAJREOHBNDP-JHJVBQTASA-N	353.423	2.360	10	10	FECE	
CC[C@H](NN(C)S(=O)(=O)CC)c1cc(Br)ccc1O	2339773302	IELYOBZEHYBPQL-NSHDSACASA-N	351.266	2.392	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1C(=O)N1CCc2cc(O)c(O)cc2C1	2341198547	ODHHKSFJHQDBNR-GXTWGEPZSA-N	362.426	2.143	10	10	FECE	
Cc1ccc(CNC(=O)[C@H](N)CC(F)(F)F)c(O)c1Br	2380738358	XHGAAPHUMBIROT-MRVPVSSYSA-N	355.154	2.359	10	10	FECE	
O=C1/C(=C/N2CCOCC2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	59397552	NTCJRSBWOLEKKX-XFXZXTDPSA-N	351.409	2.133	10	10	FECE	
COc1cccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c1O	68488847	DTPKIRGRUQXOIG-HNNXBMFYSA-N	354.406	2.379	10	10	FECE	
NCc1c(O)ccc(I)c1I	306714619	FKCSHBYUJBJGFF-UHFFFAOYSA-N	374.947	2.060	10	10	FECE	
Cc1cc(NC(=O)C2CCN(Cc3cc([N+](=O)[O-])ccc3O)CC2)no1	170907947	VPFPQQQTGRGUBS-UHFFFAOYSA-N	360.370	2.448	10	10	FECE	
CCS(=O)(=O)C[C@H](C)N[C@@H](C)c1ccc(N2CCC(O)CC2)cc1	89634515	QECMOGPSYRXGSM-GJZGRUSLSA-N	354.516	2.122	10	10	FECE	
COC(=O)/C=C\c1ccc(N(C)C[C@@H]2CCN(C(C)=O)C2)c([N+](=O)[O-])c1	255365370	OCGGTWWQASEMIO-PKYBCLHXSA-N	361.398	2.086	10	10	FECE	
COc1ccc(N2CN=c3sc(=C/C=C/c4ccco4)c(=O)n3C2)cc1	254529221	WVGJMCHLLBGXKC-BQJHTTJUSA-N	367.430	2.060	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3cnccc3N(C)C)C2)cc1	819587619	FUZRHSAOXRDJPD-OAHLLOKOSA-N	354.454	2.413	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1(CF)CCOCC1	822614378	SOSGVYYPQJDIMU-UHFFFAOYSA-N	354.397	2.045	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNc3nccn4ccnc34)cc2)C1	826829160	WDQRUVRWIQDYDZ-OAHLLOKOSA-N	350.426	2.043	10	10	FECE	
Cc1cc(O)c(CN2CCCN(S(=O)(=O)C3CC3)CC2)cc1Cl	825803940	NLVIHQKYKBUJLB-UHFFFAOYSA-N	358.891	2.354	10	10	FECE	
CCCn1nccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	746363767	HTXSSBIZPWIFFY-UHFFFAOYSA-N	369.469	2.489	10	10	FECE	
C[C@@H](C(=O)NCc1c(O)cccc1F)[C@@H](O)CN(C)C(=O)OC(C)(C)C	928710861	KYSBSZBTEPQJNV-ABAIWWIYSA-N	370.421	2.011	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CC[C@@](F)(C(=O)OC)C2)c1O	751939670	TTYBGLNQTSJORK-IBGZPJMESA-N	361.369	2.419	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H](C)N(C4CC4)C3)C2)cc1	852195836	LCLWUNZPKNTNEA-HRCADAONSA-N	358.486	2.198	10	10	FECE	
COc1ccc(N2CC[C@@H](N3C(=O)[C@@H]4c5ccoc5CCN4C3=O)C2)cc1	863513016	WUGUPSOKSXDUFG-KDOFPFPSSA-N	367.405	2.429	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@@H]2CC[C@H](C1)S2(=O)=O	878008931	OWPLGGUZGOUXBM-XGWQRUHWSA-N	364.511	2.457	10	10	FECE	
CC(C)CNS(=O)(=O)c1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1	871198567	JRQPUTXUPWZYCP-UHFFFAOYSA-N	374.462	2.483	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cnc2ccccn12	1141901964	UUMZYIPNVLPGJY-UHFFFAOYSA-N	354.385	2.240	10	10	FECE	
CCn1cc([C@@H]2C[S@](=O)CCN2Cc2cc3c(cc2O)CCC3)cn1	792714705	FDZJMNBMIIYRRL-AVRWGWEMSA-N	359.495	2.403	10	10	FECE	
C[C@@H]1C[C@@H](NC[C@H]2CCCCN2S(C)(=O)=O)c2c(O)ccc(F)c21	797095692	FMHDUNUZQQKKQY-YRGRVCCFSA-N	356.463	2.483	10	10	FECE	
Cc1cccc(O)c1CN1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1	1963063632	BFMRFEZWYDCGSJ-SFHVURJKSA-N	350.415	2.254	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)NCC1([C@@H]2CCCCO2)CCC1	1332000082	BIMFWCPOGXKWLE-KRWDZBQOSA-N	360.454	2.206	10	10	FECE	
COc1ccc(N2CCC(NC(=O)c3ccc(NC(C)=O)cn3)CC2)cc1	1264933824	LWPYFKKRAPASHJ-UHFFFAOYSA-N	368.437	2.447	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)N3C[C@H]4CSC[C@@H](C4)C3)cc2)CC1	1351375435	AFLIFYOQQXFCBI-ROUUACIJSA-N	374.554	2.333	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@]2(C(=O)C(=O)C[C@H]3C[C@H](N)C3)CCC[C@]2(F)C1	2115652196	FKECCAAPRHMCEO-OYUDYFSCSA-N	368.449	2.381	10	10	FECE	
C[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1O	1454817702	LBUFDEIHMCODIU-JTQLQIEISA-N	364.379	2.195	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1C(F)F	2118175233	FEMOYFYIMZWZSY-GHMZBOCLSA-N	372.368	2.328	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCCN3CCC[C@H]3C)CC2)cc1F	1479474672	DGEZEBZHBJOKAE-OAHLLOKOSA-N	364.465	2.150	10	10	FECE	
CS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)c(N)c1	1624322003	LOHZPBJFQQGZOA-UHFFFAOYSA-N	373.478	2.203	10	10	FECE	
C[C@@H](NC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)c1ccccc1O	1557968208	UFXGJAQSHOSQCF-GFCCVEGCSA-N	367.365	2.431	10	10	FECE	
Cn1cc([C@H](NC(=O)Cc2ccc(O)c(O)c2)c2ccc(F)cc2)cn1	1634484392	UPHFCIVMXRRUMV-LJQANCHMSA-N	355.369	2.419	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@](C)(NC(=O)C(F)(F)F)C(F)(F)F	2124316314	PEAISEKXEGFDBZ-GFCCVEGCSA-N	372.265	2.350	10	10	FECE	
CC(C)(C)OC(=O)N1CCCN(CC(=O)N2CCC[C@@H](N=[N+]=[N-])C2)CC1	2124514993	IAGZVWXJKIECDD-CQSZACIVSA-N	366.466	2.231	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CO)(C(=O)N2CCCC[C@@H](CN=[N+]=[N-])C2)C1	2124510704	ZXROSEAVSFSZQP-ZDUSSCGKSA-N	367.450	2.155	10	10	FECE	
CCOC(C)(C)CNC(=O)N1CCN(c2ccc(OC)cc2OC)CC1	1671733707	URTZMGKOLHPLHD-UHFFFAOYSA-N	365.474	2.351	10	10	FECE	
COCCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)C(C(=O)OC)=C1C	5864904	DSKKOVDMSUZWBN-FOWTUZBSSA-N	373.405	2.182	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1cc(O)c(O)c(O)c1)C1CCC1	2137690890	CZIJNEACYRIQMD-LBPRGKRZSA-N	366.414	2.227	10	10	FECE	
Cc1cccc(CNC(=O)[C@]2(C)COCCN2C(=O)OC(C)(C)C)c1O	2139764594	RPVXVXZUUSRIJW-IBGZPJMESA-N	364.442	2.343	10	10	FECE	
CCNCc1ccc(N(C)[C@@H]2CCS(=O)(=O)C2)cc1Br	233511415	HLVBDPUZBFWPDL-CYBMUJFWSA-N	361.305	2.182	10	10	FECE	
O=C(NCC1CN(C(=O)OCc2ccccc2)C1)c1ccc(O)c(O)c1	1982312979	GBGVTUQIQCEFRY-UHFFFAOYSA-N	356.378	2.096	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CO)(CNCc2ccc(Cl)cc2O)C1	2023444384	BRWYNADDGJCJMO-UHFFFAOYSA-N	356.850	2.365	10	10	FECE	
O=C(c1cccc(O)c1O)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1	2185523097	UJULPSQREFZUCA-MJGOQNOKSA-N	368.433	2.213	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)NCC2(CN=[N+]=[N-])CC2)O1	2060633667	QDZIDSOHMRSTGV-NEPJUHHUSA-N	353.423	2.265	10	10	FECE	
C[C@@H]1CN(CC(=O)Nc2ccc(N)cc2)C[C@@H]1CNC(=O)OC(C)(C)C	2106677775	KEOGXWTXXSDBDY-KGLIPLIRSA-N	362.474	2.300	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])CCCOC1	2218743180	IVFSXHASWRSYCI-HWWQOWPSSA-N	353.423	2.408	10	10	FECE	
C[C@@H](CNCc1ccc(O)cc1O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1	2230084734	YBDKXAGDAKDSIH-ORAYPTAESA-N	366.458	2.195	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N[C@H](CO)Cc1ccccc1	2303769219	UAJDASTXRYGBHS-FQEVSTJZSA-N	366.461	2.256	10	10	FECE	
C[C@@H](N[C@@H]1COC[C@H]1CNC(=O)OC(C)(C)C)c1c(O)cccc1O	2308390485	RXXKLLNKVFNCNO-JHJVBQTASA-N	352.431	2.288	10	10	FECE	
O=C(NN1C(=O)/C(=C\c2cccc(O)c2)SC1=S)c1cccnc1	1242725	IHQOMANOKPVNPT-MDWZMJQESA-N	357.416	2.333	10	10	FECE	
O=C(NN1C(=O)/C(=C\c2cccc(O)c2)SC1=S)c1ccncc1	1242731	RDUPKLFOXJQQJS-UKTHLTGXSA-N	357.416	2.333	10	10	FECE	
Cc1nccc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)n1	57075339	BSGVKCYRAKOGHV-UHFFFAOYSA-N	357.483	2.338	10	10	FECE	
CO[C@@H](C)c1noc(CN(C)C(=O)NCc2ccc(N(C)C)c(F)c2)n1	81489530	VPMRHBPIURFWLV-NSHDSACASA-N	365.409	2.324	10	10	FECE	
CC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	108294848	RFEAZAHLRXJREU-GOSISDBHSA-N	361.511	2.461	10	10	FECE	
COCCc1cc(NC(=O)NCc2ccc3c(c2)CCCN3C)n(C)n1	128162814	HKDAXDQCKUUJMF-UHFFFAOYSA-N	357.458	2.313	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@H]3CCCn4ncnc43)CC2)cc1	177336129	REVQPSJEOZHXLY-KRWDZBQOSA-N	370.457	2.044	10	10	FECE	
CN(C)c1cccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)n1	185507995	QGKPHMDUJZVNQD-UHFFFAOYSA-N	367.453	2.003	10	10	FECE	
CC[C@H](C)NC(=O)c1cnc(N2CCN(c3ccc(OC)cc3)CC2)nc1	244148816	UTQWCWPAZSDKKL-HNNXBMFYSA-N	369.469	2.340	10	10	FECE	
Cc1nc(N)sc1N=Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	254305707	WOTMKWKFNAVNCH-UHFFFAOYSA-N	367.456	2.470	10	10	FECE	
CCCn1[nH]ccc1=NC(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1	254925702	BUZJZZVENSTPBZ-QGZVFWFLSA-N	372.469	2.040	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)/C=C\c3ccnn3C)cc2F)CC1	254950601	IOEGQVZMXCVUDP-ALCCZGGFSA-N	371.460	2.031	10	10	FECE	
COc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2O)c(OC)c1OC	263999700	YOKNUUGXISTDMX-UHFFFAOYSA-N	374.393	2.015	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	276200739	KGBQGNBJAYSJLG-QWHCGFSZSA-N	368.405	2.104	10	10	FECE	
CCOC(=O)c1cnc(NC(=O)N2CCOc3cc(N(C)C)ccc32)n1C	578742167	CZSVGTWIFFTMQG-UHFFFAOYSA-N	373.413	2.094	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1nc2ccccc2oc1=O	773750900	XQKZYAMBBOXYJZ-LBPRGKRZSA-N	368.389	2.279	10	10	FECE	
CNC(=O)CCOC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	774121506	FROSYJSAHXBWJV-UHFFFAOYSA-N	357.454	2.087	10	10	FECE	
C[C@@H](NC(=O)N1CC2(CCCOC2)C1)c1ccc(N2CCOCC2)cc1	806542247	RAPQELVAGGGNKX-MRXNPFEDSA-N	359.470	2.406	10	10	FECE	
COc1ccc(Br)cc1C1(C(=O)OCC(=O)C(C)=O)CC1	842132332	UZEZZZWDMHHXHK-UHFFFAOYSA-N	355.184	2.191	10	10	FECE	
C[C@@H](NCC(C)(C)[C@]1(O)CCOC1)c1ccc(N2CCOCC2)c(F)c1	842919198	JMUBTLKHYOEYEM-QRWLVFNGSA-N	366.477	2.491	10	10	FECE	
COC(=O)[C@@H](NCc1cc(Br)cc(C)c1O)c1ccnn1C	843430416	UGOMCJJVMCRLTM-ZDUSSCGKSA-N	368.231	2.201	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCN(C4CC4)C3)C2)cc1	852182259	MLMOSPUFGCWSAE-CVEARBPZSA-N	358.486	2.057	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccccc3-n3ccnn3)C2)cc1	855228225	XWSLKGYXHRHPSJ-HNNXBMFYSA-N	363.421	2.285	10	10	FECE	
COC(=O)c1c(CN[C@H]2CCC[C@@H](C(N)=O)C2)c2cc(F)ccc2n1C	894287403	GGSWQMOCYIPHCU-YPMHNXCESA-N	361.417	2.238	10	10	FECE	
COC(=O)[C@]1(OC)CCN(Cc2cc(Br)cc(F)c2O)C1	895392876	UKLQTFCOHZKBQS-AWEZNQCLSA-N	362.195	2.058	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cnn4cc(C)cnc34)C2)cc1	898580243	FHFARFUFFKUAMD-CQSZACIVSA-N	351.410	2.055	10	10	FECE	
Nc1c(C(=O)NCc2cc(Br)ccc2O)cnn1C1CC1	908170230	KZOLTKQMUXAJQV-UHFFFAOYSA-N	351.204	2.198	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H]4OCCC[C@@H]4C3)C2)cc1	1118564219	RWAAAVVYEVSJCZ-JTDSTZFVSA-N	359.470	2.484	10	10	FECE	
O=C(c1cccc(O)c1O)N1CCCN(Cc2ccccc2)CCOCC1	1157382544	QWAQJYBREADVHV-UHFFFAOYSA-N	370.449	2.463	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1Cc1conc1COC	1292839661	AJQDVBBSIKPCJD-UHFFFAOYSA-N	357.414	2.365	10	10	FECE	
C[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)CC(F)F	1332211611	PMFNTXADFQVGFJ-GFCCVEGCSA-N	353.413	2.093	10	10	FECE	
CN(C(=O)CSCC(=O)NCc1cccc(O)c1O)C1CCCCC1	1347234530	OYELXPKWLJNYIP-UHFFFAOYSA-N	366.483	2.238	10	10	FECE	
O=C(C(=O)N1Cc2cccc(O)c2C1)N1CCC([C@H]2CCCCO2)CC1	1348663685	XXVRXVUCXFYXJE-GOSISDBHSA-N	358.438	2.042	10	10	FECE	
CSCC[C@H](NC(=O)c1ccccc1)C(=O)NCc1c(O)cccc1O	1456236336	RLWDUAZGDPVCPV-HNNXBMFYSA-N	374.462	2.266	10	10	FECE	
CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)Cc1ccc(O)c(O)c1	1467324106	PVEGWOSERPUEFQ-INIZCTEOSA-N	357.406	2.273	10	10	FECE	
CC[C@H]1CN(C)CCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1479532288	AWPDFIQLIZTQHA-PKOBYXMFSA-N	361.534	2.091	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1	1556367868	XPJIUGLVHCDWOO-CQSZACIVSA-N	359.430	2.033	10	10	FECE	
CN(CCc1ccccc1)[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1	1557397116	YUPDXYRRALGOMU-SFHVURJKSA-N	354.450	2.416	10	10	FECE	
O=C(Nc1ccc(NC(=O)c2nnc(C3CC3)o2)cc1)C1=S=CC=C1	1611093623	BNBBOCBNOFFIDA-UHFFFAOYSA-N	354.391	2.415	10	10	FECE	
CC[C@@H](C)[C@H](CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1)OC	1681299093	WRYMWYQVDZGZTN-APWZRJJASA-N	362.518	2.299	10	10	FECE	
COc1ccccc1N1CCN(C(=O)CNCc2cc(C)ccc2O)CC1	1857868066	PQQDRXHLZFOEFO-UHFFFAOYSA-N	369.465	2.148	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)NCc2ccccc2O)C[C@H](O)C1(C)C	1878976666	OWRDGXAUGDPXQD-IFXJQAMLSA-N	364.442	2.063	10	10	FECE	
CN1C(=O)[C@@H](O)c2ccc(N(Cc3ccccc3)[C@H](CO)C3CC3)cc21	1915281156	KBUVDATWMACNAY-UXHICEINSA-N	352.434	2.474	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)Nc1ccc(N)cc1	2044621605	RXIRIFRGCNRVPL-AWEZNQCLSA-N	350.419	2.026	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1CNC(=O)COc1ccc(N)cc1	2106265557	OAMMGWBVPOLXDH-OAHLLOKOSA-N	363.458	2.409	10	10	FECE	
CCS(=O)(=O)CCN(C)c1ccc([C@H](C)O)cc1Br	2114070496	RKPGUCMJZJPEMD-JTQLQIEISA-N	350.278	2.373	10	10	FECE	
COc1ccc(CN[C@@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c(O)c1	2121661240	DSFZPDCQASALAD-ZMSDIMECSA-N	364.442	2.125	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C	2124152710	BVRYGYUDFGCWIR-NFAWXSAZSA-N	364.442	2.282	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(CNC(=O)c2ccc(O)c(O)c2)C1	2136062197	AAAQAMHFOUVYJM-YJYMSZOUSA-N	362.426	2.475	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]12CC[C@H]1CN(c1cc3c(cc1N)OCC(=O)N3)C2	2163088287	XCOBSYIPOQIBSU-JEOXALJRSA-N	374.441	2.093	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)Oc2ccccc21	2168880165	MRVLEXQBJYPNKY-DCGLDWPTSA-N	374.437	2.455	10	10	FECE	
CN1C(=O)[C@H](N)c2ccc(N3C[C@H]4C[C@@H](C3)N(Cc3ccccc3)C4)cc21	2187755089	ZGVUHHRQBBRWDN-DJPFJPOOSA-N	362.477	2.374	10	10	FECE	
CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)C1=Cc1ccc(C)cc1	2294745995	GULDNUBMMKWGGC-UHFFFAOYSA-N	355.419	2.449	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cc3cn4ccsc4n3)CC2)cc1	60389848	CFUUFUFUKLSUMB-UHFFFAOYSA-N	356.451	2.296	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2cnn3cc(Br)cnc23)cc1	93906013	PPJFRHBSGRYUOH-UHFFFAOYSA-N	374.242	2.488	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC(C3OCCO3)CC2)c([N+](=O)[O-])c1	97295170	UAMHZTDYDVKPDH-HYXAFXHYSA-N	362.382	2.370	10	10	FECE	
CC[C@@H]1CN(Cc2cc(Br)ccc2O)CCN1C[C@H](C)O	245804722	YIJXORRZPWBCGR-SWLSCSKDSA-N	357.292	2.432	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@@H]4C[C@@H]4C3)cc2)CC1	817447366	CBNQEKOZKCJVRP-GUDVDZBRSA-N	355.482	2.408	10	10	FECE	
C[C@@H]1[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)CCCN1C(=O)OC(C)(C)C	2132402287	CUZLWWSWRNXNCZ-PWSUYJOCSA-N	366.414	2.321	10	10	FECE	
Cc1cncc(CCNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1	822835275	KINJRKGXLVDQJP-GOSISDBHSA-N	370.453	2.424	10	10	FECE	
CCOC[C@H](C)NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	838562097	SQPOLGQBDNMKBX-LBPRGKRZSA-N	357.401	2.026	10	10	FECE	
C[C@H](NC(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F)c1ccccc1O	913763579	KPCOPSJLMSFRIF-UXEPBGEESA-N	369.339	2.380	10	10	FECE	
CC[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1C)[C@H]1CCCCO1	848933691	FMCHQKIZKFSQCB-ZWKOTPCHSA-N	361.486	2.141	10	10	FECE	
Cc1ccc(O)c(CNC(=O)[C@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)c1	913000456	KACGVLYSJGFUEG-RDJZCZTQSA-N	369.339	2.128	10	10	FECE	
CN1CCN(c2ccc(CNC[C@]3(CO)CCc4ccccc43)cc2)CC1	846011209	KGRMPYZLAWFZKF-QHCPKHFHSA-N	365.521	2.405	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-n2cnnn2)cn1	847364986	GDEPVUUQMJGZEW-UHFFFAOYSA-N	365.441	2.174	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1nnc(O)n1C1CC1	923861754	NPKNDBJPDZJFLT-UHFFFAOYSA-N	358.446	2.116	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3C[C@H]4CC[C@H]3[C@H](CO)C4)C2)cc1	852450381	LASBWJFRXALUQY-FPXQBCRKSA-N	359.470	2.076	10	10	FECE	
COC(OC)[C@H](C)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	923676657	UEYMPBZWSOOMMR-DZGCQCFKSA-N	352.431	2.090	10	10	FECE	
CC[C@@H](NC[C@@H](O)CS(C)(=O)=O)c1cc(Cl)cc(Cl)c1O	927021045	ADXMASFNTQXUHQ-BXKDBHETSA-N	356.271	2.145	10	10	FECE	
CN(C)c1ccc(/C=C/CNc2ccn(CCN3CCNC3=O)n2)cc1	922591296	VEWIQWJACVKGOC-ONEGZZNKSA-N	354.458	2.100	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3cccc(C)c3F)C2)cc1	850537566	SBLWDRLYGUCCTK-CQSZACIVSA-N	371.412	2.476	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)NCCO[C@H]3CC3(F)F)C2)cc1	852386355	CPKLWCGJKBDVQR-BBRMVZONSA-N	369.412	2.245	10	10	FECE	
CO[C@@H]1CCC[C@@H]([C@H](CO)NC(=O)NCc2ccc(N(C)C)cc2C)C1	853748781	IZIBZUVTXRXFTM-LZQZEXGQSA-N	363.502	2.426	10	10	FECE	
Cc1noc(C)c1CO[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	762470719	GYNWPUSQBZDKEP-KDOFPFPSSA-N	360.410	2.214	10	10	FECE	
C[C@H]1C[C@H](NC(=O)C(=O)NCCCSc2nccs2)CCS1	930196887	BDKHTDACUMDJAD-WDEREUQCSA-N	359.542	2.142	10	10	FECE	
COc1ccc(N2CCC(N3C(=O)N4C[C@H](OC)C[C@]4(C)C3=O)CC2)cc1	865302120	NREZCVLPIURRJT-YLJYHZDGSA-N	373.453	2.106	10	10	FECE	
CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NCc2ccc3cccnc3c2O)C1	862026266	JUQUXBAHFLDRMT-CQSZACIVSA-N	371.393	2.043	10	10	FECE	
O=C(Cn1ncc(=O)c2ccccc21)Nc1c(Cl)ccc2nonc12	1128606223	DKIUVUCOTGURCH-UHFFFAOYSA-N	355.741	2.225	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)OCC(=O)N1CCC(c2ccccc2)=N1	772773048	AUANOEWAEHWXAT-CLFYSBASSA-N	366.373	2.291	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccsc1C	1320624911	IXLNLQRLPRGFOF-AWEZNQCLSA-N	363.435	2.301	10	10	FECE	
CS(=O)(=O)C1CC(NCc2cc(Cl)cc(Br)c2O)C1	708202375	BZKPEZBOORKQNF-UHFFFAOYSA-N	368.680	2.473	10	10	FECE	
C[C@@H](CNC(=O)C(=O)NCCCSc1nccs1)c1ccncc1	1332601946	RXNVNTQKMYPYAC-LBPRGKRZSA-N	364.496	2.056	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N[C@@H]3CC[C@H]4CN(C)C[C@H]43)CC2)cc1	1263707491	KYEFTIWPMBKXSP-CWFSZBLJSA-N	372.513	2.303	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(CN2CCCC2)n1C[C@H]1CCOC1	1349311629	GHHIOGYEBZPXKO-MRXNPFEDSA-N	371.485	2.252	10	10	FECE	
Cc1ccc(CN2CCO[C@@H](CNC(=O)NCc3ccccc3O)C2)cc1	1471110882	QXQGGJNDMISSJP-IBGZPJMESA-N	369.465	2.401	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCC2CCN(C3CCOCC3)CC2)cc1	1641212385	DODHUJBNPDWMBN-UHFFFAOYSA-N	373.457	2.470	10	10	FECE	
Cc1cc(C(=O)Nn2ccnn2)c(C)n1-c1ccc(Br)cn1	1569397334	OBOLDUUDACUWSM-UHFFFAOYSA-N	361.203	2.227	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(C)OC[C@@H]1C(=O)NCc1ccccc1O	2124087144	AXQZKMRUCRSICI-CQSZACIVSA-N	364.442	2.423	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC(N=[N+]=[N-])CC1	2124504516	ZQHSNPUBVUQJKD-CYBMUJFWSA-N	363.422	2.147	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(C(=O)N2CCC(N=[N+]=[N-])CC2)C1	2124508436	HHBANKXSBPPEJX-SJCJKPOMSA-N	365.434	2.314	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](C(=O)NCCCCN=[N+]=[N-])[C@@H]1CCOC1	1964945540	ZGYYUJDZKHXWBE-CHWSQXEVSA-N	355.439	2.371	10	10	FECE	
CC(=O)Nc1ccc(NC(=O)CCN2C(=O)[C@H](C)SC2=S)cc1	11635976	SVRQEGQNKBXFEW-VIFPVBQESA-N	351.453	2.222	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)=C[C@H]1O	2131473380	FMXOZFKTYAETQG-BFHYXJOUSA-N	365.434	2.262	10	10	FECE	
C[C@H](N=c1[nH]nc(CCNC(=O)OC(C)(C)C)o1)c1c(O)cccc1O	2138818847	RIDHNZHARFJZAK-JTQLQIEISA-N	364.402	2.143	10	10	FECE	
Cc1cccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H]2CCOC2)c1O	2139763659	IJCOERAKFYLNRG-HUUCEWRRSA-N	364.442	2.247	10	10	FECE	
CO[C@](C)([C@H](N)Cc1ccc(O)c(O)c1)[C@@H](C)NC(=O)OC(C)(C)C	1953009346	JEEZIFFBMFSLTR-MZKGEVEHSA-N	354.447	2.286	10	10	FECE	
CC(C)(C)OC(=O)NC1[C@@H]2CN(C(=O)CCOc3ccc(N)cc3)C[C@@H]12	2107818409	YOVGRSYHWVSWJM-HUUCEWRRSA-N	361.442	2.019	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CNCC[C@H]1COC[C@@H]1O	2111336903	RAAIPYHQONWCAG-UFBFGSQYSA-N	350.640	2.295	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])CCCO1	2218737365	GYNDWZITBHILET-OZVIIMIRSA-N	353.423	2.408	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(N2CC(C(=O)NCCCN=[N+]=[N-])C2)CC1	2271255893	MCKQXDGFBCWTHK-UHFFFAOYSA-N	366.466	2.134	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(O)c(O)c2)C(F)(F)C1	2264435758	BKJIHTXBHRJEHJ-ZDUSSCGKSA-N	372.368	2.472	10	10	FECE	
CO[C@@H](CCNC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(N)cc1	2318734207	UAWLRLURKVOPLF-HNNXBMFYSA-N	351.447	2.157	10	10	FECE	
COc1ccc(C(=O)N[C@@H](C(=O)NCCc2ccc(N)cc2)C(C)C)cc1	179042849	VXEAZYOGENARDZ-LJQANCHMSA-N	369.465	2.391	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(C)(C)C(=O)NCC(C)C)CC2)cc1	243961250	SAQSVTOLJPIBGM-UHFFFAOYSA-N	361.486	2.142	10	10	FECE	
CC[C@H](C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C(=O)OC	276810357	FPLULTKURYLZCD-KCQAQPDRSA-N	366.433	2.255	10	10	FECE	
COCCOc1ccccc1NC[C@H](O)COc1ccc2c(c1)OCO2	819423854	GAJKZOOWYZRIKS-AWEZNQCLSA-N	361.394	2.292	10	10	FECE	
Cc1cc(C(=O)CN2CC[C@@]3(CNC(=O)C3)C2)c(C)n1-c1ccc(F)cn1	829321947	LVQOHGBJRQOYJG-HXUWFJFHSA-N	370.428	2.023	10	10	FECE	
Cn1ccnc1COCC(=O)N(Cc1ccco1)Cc1ccccc1O	830137617	QTRRAZNPZQVHLG-UHFFFAOYSA-N	355.394	2.464	10	10	FECE	
CC(C)n1cc(/C=C2/OCCn3c2nc(Br)c3C=O)nn1	901574812	ILGMMQINNNUQDD-VZUCSPMQSA-N	352.192	2.159	10	10	FECE	
Cc1ccc(O)c(CNC(=O)[C@@]2(C)C[C@H](O)CN2C(=O)OC(C)(C)C)c1	913000445	JUUFCDNMMAQCIC-IFXJQAMLSA-N	364.442	2.077	10	10	FECE	
CCCCSCC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	742919083	CFHQKAZBSFCJAX-UHFFFAOYSA-N	365.543	2.467	10	10	FECE	
COCCCOC1CN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1	840481199	GXIRIJMJZXLGCI-MRXNPFEDSA-N	363.502	2.439	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@]12C[C@H]3C[C@@H](C(=O)N1)[C@H]2C3	844579375	BOQPVHWKUCEPFW-OIQUYNEXSA-N	355.482	2.023	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCC(NCCOC)CC2)cc1	846137871	RXGZQOGGCXTVCX-UHFFFAOYSA-N	362.518	2.443	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CCC[C@@]4(CCCOC4)C3)nc12	747849322	XDJWCKRGJVQCHA-LJQANCHMSA-N	374.441	2.004	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)NC[C@@]2(OC)CCSC2)cc1	925375146	BYGFTPXTRHEPHC-SFHVURJKSA-N	367.515	2.295	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2cnn3ccc(C)nc23)cc1	844853356	GDUMSQVQIJWMDQ-UHFFFAOYSA-N	353.426	2.255	10	10	FECE	
CN1C(=O)[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)Cc2ccccc21	850352537	AACOKWPCYZKBTA-SFHVURJKSA-N	369.440	2.340	10	10	FECE	
COC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1	753521750	MKNXCJVAJIZTRB-UHFFFAOYSA-N	370.314	2.027	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@H](CN4CCCC4)C3)C2)cc1	854299218	GQMMDDKFSSLMEU-QZTJIDSGSA-N	372.513	2.401	10	10	FECE	
C[C@H](C(=O)NCc1ccc2cccnc2c1O)n1nnnc1C(C)(C)C	862027590	XWTOCLLLSPJGBC-LLVKDONJSA-N	354.414	2.102	10	10	FECE	
O=C1NCC[C@@]1(C(=O)NCc1ccc2cccnc2c1O)C1CCCC1	862024841	CRPJVSARACZVIE-HXUWFJFHSA-N	353.422	2.253	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCO[C@H]([C@@H](C)O)C2)cc1	862005354	ZGOZAHGNZNCOLG-UZLBHIALSA-N	370.449	2.057	10	10	FECE	
Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1Cc3cccc(O)c3C1)C2=O	871199343	WYMUBQMEKSNMJP-GFCCVEGCSA-N	350.374	2.228	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCCc3nc(C(C)C)no3)C2)cc1	1118521524	QDQCFXVOVUZPKF-CQSZACIVSA-N	373.457	2.322	10	10	FECE	
COC(=O)c1c(CN2CCn3nc(C)nc3C2)c2cc(F)ccc2n1C	894031134	PMKQNKPTZWLQSZ-UHFFFAOYSA-N	357.389	2.020	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@@H]1[C@H]2CCCO[C@H]21	780026608	YUSGFDJTFQQGNX-NJDAHSKKSA-N	369.509	2.260	10	10	FECE	
COC(=O)c1c(CNC[C@@H](OC)[C@H]2CCOC2)c2cc(F)ccc2n1C	895225493	JIMFNFNSRLTAJP-YVEFUNNKSA-N	364.417	2.245	10	10	FECE	
COC(=O)CN(Cc1ccc(F)c(F)c1)C(=O)c1cccc(O)c1O	790916883	WCSDUTIUHXNQEW-UHFFFAOYSA-N	351.305	2.191	10	10	FECE	
COCCOC[C@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1	1881483164	NTDHDSWJMBCATE-KRWDZBQOSA-N	367.490	2.138	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1nc(O)c(C)s1	1346507888	ATVCYRIPIJLSKS-UHFFFAOYSA-N	370.814	2.332	10	10	FECE	
Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NCc1cc(O)ccc1O	1303225269	DTXHNTCCVOCYJN-UHFFFAOYSA-N	357.332	2.332	10	10	FECE	
Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3c(C)n[nH]c3C)C2=O)c(C)c1	1084484562	OIKWRTPNDWAUQC-MDWZMJQESA-N	353.382	2.222	10	10	FECE	
C[C@H](N[C@@H](C)c1nc(-c2nc[nH]n2)no1)c1ccc(N2CCOCC2)cc1	1307641602	HSZPNRJNQHNDEF-STQMWFEESA-N	369.429	2.103	10	10	FECE	
O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NCc1ccc(O)cc1O	1162271758	QHOFMMDRLZTUEH-UHFFFAOYSA-N	367.405	2.131	10	10	FECE	
COC(=O)[C@@H]1CCN(c2nnc(C)n2CCCSc2nccs2)C1	1299358408	AWFXRMHGKMEAHV-GFCCVEGCSA-N	367.500	2.225	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)NN2C(=O)[C@H](C)N(C)C2=O)c1C	1453745625	VCNICNPUNLQPHQ-AWEZNQCLSA-N	354.410	2.330	10	10	FECE	
NC(=O)C1CCN(C2=NC(=O)/C(=C/C3=Cc4ccccc4OC3)S2)CC1	1105792	KMXSKDDTQLSIGS-YBEGLDIGSA-N	369.446	2.173	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CC(=O)N(C(C)C)C1=O	1621009610	JLZFRMMIMQXEPT-ZDUSSCGKSA-N	359.451	2.421	10	10	FECE	
O=C(NCCNc1ncccc1C(F)(F)F)c1c(F)ccc(O)c1O	1648471791	XRZUKOPBWZTQQP-UHFFFAOYSA-N	359.279	2.493	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CCC(O)(c3nccn3C)CC2)c1O	1648211874	CMHXNQJBPUAWHV-UHFFFAOYSA-N	363.845	2.465	10	10	FECE	
COC(=O)[C@]1(C)C[C@@H](OC)CN1Cc1cc(Cl)cc(C(C)=O)c1O	1647989010	ABNISYVKFKKUGM-DYVFJYSZSA-N	355.818	2.401	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC(N=[N+]=[N-])C2)[C@@H]2CCO[C@@H]2C1(C)C	2124511154	BRNZCSUBQRHNMR-PEBVRCNWSA-N	365.434	2.216	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@]1(N(C)C(=O)OC(C)(C)C)CCOC1	2124373995	HJRXMVKWSHGOGX-LJQANCHMSA-N	364.442	2.377	10	10	FECE	
CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCC(=O)N1	1693999426	UPMMXWDSXBGCDB-DZGCQCFKSA-N	357.458	2.412	10	10	FECE	
Cc1cc(Br)cc(CN2CC[C@@H]3CS(=O)(=O)C[C@H]32)c1O	2151232709	LOJAOKZKGMKXLN-ZWNOBZJWSA-N	360.273	2.082	10	10	FECE	
C[C@H](N)c1ccc(N2CCC[C@H]2CS(C)(=O)=O)cc1Br	2151278903	FYXYFMACXKFYQR-JQWIXIFHSA-N	361.305	2.482	10	10	FECE	
CCCN(CCS(C)(=O)=O)c1ccc(CN)c(Br)c1F	2170152772	MUSOWPGHDKGZGG-UHFFFAOYSA-N	367.284	2.308	10	10	FECE	
Nc1ccc(CC(=O)N2CCC[C@H]3CC[C@]32CNC(=O)C(F)(F)F)cc1	2162978456	FIFNVEMTZZIFLQ-GUYCJALGSA-N	369.387	2.261	10	10	FECE	
C[C@H]1C[C@H](NS(=O)(=O)Cc2ccc(N)cc2)CN1Cc1ccccc1	398222194	SUYXTBVNOJBEAH-KXBFYZLASA-N	359.495	2.351	10	10	FECE	
COc1ccc(N2CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C2)c(N)c1	2044629939	AKAPXDYKQGLJSK-ZDUSSCGKSA-N	351.447	2.086	10	10	FECE	
C[C@@H](CN(C)C(=O)OC(C)(C)C)N(C)CC(=O)Nc1ccc(N)cc1	2049135187	IZUYHSVDPMRANY-ZDUSSCGKSA-N	350.463	2.395	10	10	FECE	
C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccc(O)c(O)c1	2054397634	JZXAGJHFESPBCI-AAEUAGOBSA-N	350.415	2.473	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2060637149	HMPTVYGNNPPHON-NWDGAFQWSA-N	353.423	2.123	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060635065	HOIQTIBDMNEVAR-STQMWFEESA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@H](N=[N+]=[N-])C2)OCC12CC2	2064049125	CDVATCPVCALKEF-NWDGAFQWSA-N	351.407	2.066	10	10	FECE	
C[C@@H](CCNC(=O)OC(C)(C)C)N(C)C(=O)c1cc(O)c(O)c(O)c1	2068617504	JKCKHMXGLYNJPJ-JTQLQIEISA-N	354.403	2.179	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)C[C@@H]1COCCN(C(=O)OC(C)(C)C)C1	2080213858	VECBQZFTCZXYLM-ZDUSSCGKSA-N	355.439	2.419	10	10	FECE	
CN(C)C(=O)CN(Cc1ccccc1)c1cc2c(cc1Cl)[C@H](N)C(=O)N2	2095919277	LBLNXRGNEPYMQB-SFHVURJKSA-N	372.856	2.387	10	10	FECE	
COc1ccc(C=C2SC(=S)N(N3CCOCC3)C2=O)c(OC)c1	2296767334	SYQWJOODSYJNNZ-UHFFFAOYSA-N	366.464	2.152	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2333612965	GZSKHAOKXKJHQY-FJZAXULXSA-N	365.434	2.360	10	10	FECE	
COc1ccc(O)c(CN[C@]23CO[C@H](C2)[C@@H](NC(=O)OC(C)(C)C)C3)c1	2334238492	CIAFSUOYTYNPRD-GMBSWORKSA-N	364.442	2.315	10	10	FECE	
COc1ccc(N2CCCN(C(=O)NCCn3cc(C)cn3)CC2)cc1	172290930	URXUCUWYNMADOZ-UHFFFAOYSA-N	357.458	2.122	10	10	FECE	
CN(C)c1ccc([C@H](N)CNC(=O)c2cc3c(cc2Cl)NC(=O)C3)cc1	1339844572	BJACSXNBDDNCHR-MRXNPFEDSA-N	372.856	2.330	10	10	FECE	
Cc1cc(/C=C/C(=O)N2CCN(CCO)CC2)c(C)n1-c1ccccc1	78541698	JAAGMLKXLFUZEA-CMDGGOBGSA-N	353.466	2.244	10	10	FECE	
CCn1nccc1/C=C\C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	255387670	CMDHPPQETRSGOM-HJWRWDBZSA-N	354.454	2.411	10	10	FECE	
Cc1cncc(/C=C\C(=O)N2CCOc3ccc(S(C)(=O)=O)cc32)c1	255143149	KBKTUAWTIFDMEK-UTCJRWHESA-N	358.419	2.232	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccnc2[nH]cnc12	272230731	LRUDTNWDHLPKAL-UHFFFAOYSA-N	365.437	2.097	10	10	FECE	
COc1cccc(CNC(=O)N[C@H](C)c2nnc3n2CCCCC3)c1O	362889476	SIUYKLKTDNKYRR-GFCCVEGCSA-N	359.430	2.279	10	10	FECE	
CC(C)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Br)ccc1O	804735886	HMXSHRSXECFYCZ-ZDUSSCGKSA-N	369.259	2.418	10	10	FECE	
Cc1cnc(CCN(C)C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)s1	297759509	HLPOEHOTCLKMJJ-UHFFFAOYSA-N	374.510	2.177	10	10	FECE	
C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1ccn(-c2ccc(N)cc2)n1	2162976465	LGEICTIHIKUDON-CYBMUJFWSA-N	373.457	2.440	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@H]3[C@H]64)cc1	800433366	RKFFWXOYNNAQGD-ALJIYQPSSA-N	350.462	2.476	10	10	FECE	
CCOC(=O)C[C@@H](CO)NC(=O)c1cc(C)n(-c2ccccc2C)c1C	816668734	VWWCVXYRMLTOOA-INIZCTEOSA-N	358.438	2.446	10	10	FECE	
Cc1cccc(CNC[C@]2(CO)COCCN2Cc2ccccc2)c1O	827533202	TUTQJRSCNFFCKA-NRFANRHFSA-N	356.466	2.054	10	10	FECE	
CO[C@]12CCC[C@@]1(NC(=O)NCc1ccc(N(C)C)c(F)c1)CCO2	915365461	GBKGJOWEWKMNGX-MSOLQXFVSA-N	351.422	2.377	10	10	FECE	
CC[C@@H](OCCNC(=O)C(=O)NCCc1ccc(N)cc1)c1ccccc1	846345503	YADQEFYYYLJCKT-LJQANCHMSA-N	369.465	2.212	10	10	FECE	
Cc1nc(-c2cccc(NC(=O)C(=O)NCc3ccccc3O)c2)no1	748476665	MYBNIZPUUWXBEO-UHFFFAOYSA-N	352.350	2.006	10	10	FECE	
Cc1ccc(CN(Cc2cc(O)n3ncc(C(=O)O)c3n2)CC2CC2)cn1	846259070	VAXRJIQKSNKPLH-UHFFFAOYSA-N	367.409	2.249	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=N)NC[C@H]3CCCO3)cc2F)C[C@@H](C)O1	849014544	SIUNADSOHUVGOD-IIAWOOMASA-N	364.465	2.232	10	10	FECE	
COC[C@H](COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)OC	849628079	JVGUYPXPZLWBRC-GFCCVEGCSA-N	354.358	2.280	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NC[C@@H](O)c2ccnn2C)c1O	927131746	QRFNTQJKCJUIPV-NOZJJQNGSA-N	370.247	2.281	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H](O)Cc3cccc(OC)c3)C2)cc1	855224177	FLWOFXDGXSCOBN-JXFKEZNVSA-N	370.449	2.002	10	10	FECE	
CCn1cc(CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)nn1	931203456	QOWOCYRQUDZTFQ-IBGZPJMESA-N	371.485	2.114	10	10	FECE	
O=C1CN(Cc2c(O)cccc2Br)CCN1CC(F)(F)F	862365494	AEGIHNIDIDZMIQ-UHFFFAOYSA-N	367.165	2.361	10	10	FECE	
CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N[C@@H](C)c1ccccc1O	867836135	HAAAHWCTHJYTGS-CABZTGNLSA-N	369.361	2.257	10	10	FECE	
COc1cc(Br)cc(CNC2(CCO)CCOCC2)c1O	761994999	UKWFIXHLVAPBJJ-UHFFFAOYSA-N	360.248	2.185	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(CN2CCOCC2)cc1	779476210	YCQAASBHJUKGLH-VURMDHGXSA-N	368.433	2.260	10	10	FECE	
COCC1(O)CCN(Cc2c(C(=O)OC)n(C)c3ccc(F)cc23)CC1	894033794	JCLRDPTUXJOFBV-UHFFFAOYSA-N	364.417	2.077	10	10	FECE	
Cn1cc(CN2Cc3cccc(O)c3C2)c(I)n1	895449638	MGPACMSXDNXQSA-UHFFFAOYSA-N	355.179	2.246	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)c3cccc(O)c3O)cn2)C[C@H](C)O1	790544539	YIHAHSMUPHKGNX-STQMWFEESA-N	357.410	2.036	10	10	FECE	
Cc1cc(CC(=O)NCc2nc(O)cc(O)n2)c(C)n1-c1ccccc1	1149283801	HVGPIZHGFOJAHZ-UHFFFAOYSA-N	352.394	2.154	10	10	FECE	
C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)N[C@H](C)c1ccccc1O	1302530174	DBCJLDOBPMZJAX-NEPJUHHUSA-N	352.394	2.264	10	10	FECE	
C[C@@H](CNC(=O)C(=O)NCCCSc1nccs1)CC(F)F	1328288926	YMFRHTDJNCSIIR-SECBINFHSA-N	351.444	2.149	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC(CC(F)(F)F)C1	1329118399	DKXNXHHJQXQDJN-UHFFFAOYSA-N	357.376	2.088	10	10	FECE	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCC[C@@H](F)C1	1328356085	DOPUNMZUNCBVJR-HZPDHXFCSA-N	368.474	2.066	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@]3(C2)CC3(F)F)cc1	1328912305	YLGWCRHQSPJNAT-QGZVFWFLSA-N	351.397	2.017	10	10	FECE	
COCCNC[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(N=NC(N)=O)cc1	1264010395	XVUFKBZATZROLQ-CJNGLKHVSA-N	361.446	2.326	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ncc(Br)cc1O	1447565294	SXWSEVZPLIVLFU-MRVPVSSYSA-N	367.199	2.322	10	10	FECE	
Cc1cc(C=O)c(O)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1	1291755278	CFYNGOUUOJFUKL-UHFFFAOYSA-N	372.396	2.419	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)NC1([C@@H]2CCCO2)CCC1	1527426446	RGLAFDMEGLLBGS-SFHVURJKSA-N	359.470	2.424	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@](F)(CNC(=O)c2ccc(O)c(O)c2)C1	2118180544	HTQGPXUOISPPDT-MXXVBZNESA-N	368.405	2.471	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)c2ccc3ncn(C)c3n2)N(C)C)cc1	1472281079	PRQCDLIKSRAULY-GOSISDBHSA-N	366.469	2.067	10	10	FECE	
CN(C(=O)Cn1c2c(c3cc(F)ccc31)CCCC2)[C@@H]1CCC[C@@H](O)[C@H]1O	1615076952	SFZUDPPOOILBEB-SBHAEUEKSA-N	374.456	2.392	10	10	FECE	
COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N1Cc2cccc(O)c2C1	1471355433	IRNMBIMDLUXWPM-UHFFFAOYSA-N	371.784	2.186	10	10	FECE	
CCO[C@@H]1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)[C@H]1Oc1ccccc1	1625824028	UYRVCQXWDFSHTN-QKYXUNIQSA-N	357.406	2.382	10	10	FECE	
CCOC(=O)c1ccc(NC(=O)CN2C(=O)[C@@H](CC)SC2=S)cc1	11635608	OSJZVASNBHIWHO-GFCCVEGCSA-N	366.464	2.441	10	10	FECE	
CCCN1C(=O)/C(=C\c2ccc(OCC(N)=O)c(OC)c2)SC1=S	14190519	SXOWHMURRYZGGW-MDWZMJQESA-N	366.464	2.171	10	10	FECE	
C[C@H](N)c1ccc(N(C)[C@H]2CS(=O)(=O)C2(C)C)c(Br)c1	2153848606	LEJHABCOUNHBTA-ZANVPECISA-N	361.305	2.481	10	10	FECE	
Oc1ccc(CN[C@@H]2CN(Cc3ccccc3)[C@@]3(CCOC3)C2)c(O)c1O	2154521879	XIINZGVHJKVFCY-UWJYYQICSA-N	370.449	2.327	10	10	FECE	
CC(C)(C)OC(=O)NCc1n[nH]c(=NCc2ccc(Cl)cc2O)o1	2024246858	LMRXMSDBTDMPQA-UHFFFAOYSA-N	354.794	2.487	10	10	FECE	
CCS(=O)(=O)[C@@H]1CCN(c2ccc(CNC)c(Br)c2)C1	2179902420	OSXPPHBPSOYMFZ-CYBMUJFWSA-N	361.305	2.182	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC[C@H](CNC(=O)OC(C)(C)C)C1	2106652108	WATUGTIWRCXQPS-UONOGXRCSA-N	362.474	2.442	10	10	FECE	
CN(C)c1ccc([C@H](O)[C@H](NC(=O)OC(C)(C)C)c2cn(C)nn2)cc1	2110415255	PFNWZADFHXZXEJ-CVEARBPZSA-N	361.446	2.181	10	10	FECE	
COc1ccc(N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1	2111819986	RFARRRNEQGHFPY-VXGBXAGGSA-N	367.402	2.068	10	10	FECE	
CN1CCc2cc([C@@H](N)CN3CC[C@H](NC(=O)OC(C)(C)C)C3)ccc21	2113004706	AVYQNNMGAOGPEK-IRXDYDNUSA-N	360.502	2.278	10	10	FECE	
CCN1CCc2cc([C@H](N)[C@](O)(CF)CNC(=O)OC(C)(C)C)ccc21	2265165478	IWJIHPZSXYCMDS-LPHOPBHVSA-N	367.465	2.294	10	10	FECE	
O=C(O)[C@H](Cc1cnc[nH]1)N1C(=O)C(=Cc2ccsc2)SC1=S	2323718773	ZSADCXDKBWMTKN-JTQLQIEISA-N	365.461	2.368	10	10	FECE	
Cc1ccc(C(=O)/C=c2\[nH]c(=O)/c(=C/c3ccc(N(C)C)cc3)s2)cc1	100888521	PTPIDVRZVKAMBU-ZEDXCMECSA-N	364.470	2.303	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N3CCO[C@@H](CN(C)C)C3)cc2)CC1	117047856	GDPKCKNGXDZDNQ-FQEVSTJZSA-N	374.529	2.395	10	10	FECE	
CC(C)CN1C(=O)/C(=C/N[C@H](C)c2ccc(F)c(F)c2)C(=O)NC1=S	255216733	HSTIHVDKEGNIQQ-CEXMDJMXSA-N	367.421	2.399	10	10	FECE	
CN(CCCO)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	282551323	YWYRTKCXLSGIRL-CYBMUJFWSA-N	357.401	2.281	10	10	FECE	
C[C@@H](CCNC(=O)NCc1cc(Br)ccc1O)[S@@](C)=O	805217943	QXQHRMSISTZFEY-GWNMQOMSSA-N	363.277	2.111	10	10	FECE	
COc1ccc(N2CC[C@H](CNS(=O)(=O)c3cnccc3C)C2)cc1	819888524	WZPABRYCRNJHSB-OAHLLOKOSA-N	361.467	2.203	10	10	FECE	
COc1ccc(N2CCN(CCN[C@@H]3CCC[C@H]3[C@@H]3CCCN3)CC2)cc1	817893497	FYVYJCIMUKUZGK-VSKRKVRLSA-N	372.557	2.328	10	10	FECE	
Cc1cc(CC(=O)NCCN2CCOC[C@@H]2C)c(C)n1-c1ccccc1	826135442	JMTROWUYONUEAW-KRWDZBQOSA-N	355.482	2.474	10	10	FECE	
COC(=O)CC[C@H](N)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	827820786	FNOINWZVHDAXQI-SFHVURJKSA-N	361.486	2.352	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccnc(OCC(F)F)c1	588407875	MCCINTGAQIQQKG-RQOWECAXSA-N	350.321	2.466	10	10	FECE	
CC1(C)CN(C(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)C[C@H]1N	903714014	JWIUCPGVVFULBM-GOSISDBHSA-N	373.497	2.249	10	10	FECE	
CCN1CCN([C@H](C)CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1	900686684	ODFINKHTCZIKEA-GFCCVEGCSA-N	363.483	2.068	10	10	FECE	
CCCN(CCC)c1ccc(CN2CC(n3cc(C(N)=O)nn3)C2)cc1	839144822	WNOWAXLYAJDNCI-UHFFFAOYSA-N	356.474	2.060	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCC(N(C)S(C)(=O)=O)CC2)cc1	835028453	RDVMCEXYRGXIFY-AATRIKPKSA-N	351.516	2.122	10	10	FECE	
CCOC(=O)C1=CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	858600207	UOICABGSTKYBSH-HZPDHXFCSA-N	373.453	2.225	10	10	FECE	
COc1ccc(N2CC[C@H](Nc3c(C(N)=O)cccc3[N+](=O)[O-])C2)cc1	853760630	LSIOXAIEUOAWRI-LBPRGKRZSA-N	356.382	2.393	10	10	FECE	
Cc1cc(CN2CCc3sc(S(N)(=O)=O)cc3C2)ccc1N(C)C	852733091	LZAFYCMVFYFKFC-UHFFFAOYSA-N	365.524	2.328	10	10	FECE	
CN(C)c1ccc(CNC(=O)NCC(C)(C)C(=O)N2CCCC2)cc1F	858902269	DXKCVBXRZBVPJQ-UHFFFAOYSA-N	364.465	2.340	10	10	FECE	
CO[C@@H]1CCC[C@@H]([C@H](CO)NCc2ccc(N3CCN(C)CC3)cc2)C1	850353623	IRVGKRMHUHYPPL-NRSPTQNISA-N	361.530	2.094	10	10	FECE	
COc1ccc(N2CC[C@H](Nc3nccc(N4CCOCC4)n3)C2)cc1	853759268	QMOKGQMFBYAFIG-HNNXBMFYSA-N	355.442	2.013	10	10	FECE	
COc1ccc(N2CCN(CCN[C@@H]3CCN(C)C(C)(C)C3)CC2)cc1	858112959	CQUMPFGISMPAMM-GOSISDBHSA-N	360.546	2.280	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@H](C)c3cncnc3)cc2F)CC1	863866106	IOETXLTZMMQVRF-OAHLLOKOSA-N	371.460	2.178	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H](C)O[C@H]3C)cc2F)CC1	865201929	KPHJBFNZQNZJSL-HLLBOEOZSA-N	363.477	2.397	10	10	FECE	
COc1cc2c(cc1OC)CN(CC(=O)N1Cc3cccc(O)c3C1)CC2	871203487	MOMHRCXBSIWBHO-UHFFFAOYSA-N	368.433	2.310	10	10	FECE	
CCNC(=O)CC(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	782350690	RBZSRQPVEVMALQ-UHFFFAOYSA-N	360.385	2.485	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H](C(=O)NCc2ccccc2O)O1	1879392568	MERGTAGGGMPOHZ-ZBFHGGJFSA-N	364.442	2.471	10	10	FECE	
COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NCc2ccc(OC)cc2O)C1	793062666	SRDXJCHNCPSLFK-OCCSQVGLSA-N	365.430	2.067	10	10	FECE	
Oc1ccsc1-c1nnc(N2C[C@@H]3[C@H](C2)C3(F)F)n1C[C@@H]1CCOC1	1345431554	DOTFMTZRKCNMNL-GARJFASQSA-N	368.409	2.450	10	10	FECE	
CON(C)S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1	1151885644	AJUULPNIYFGMEZ-GFCCVEGCSA-N	364.423	2.065	10	10	FECE	
CN1C(=O)[C@@H](N)c2ccc(N3C[C@@H]4CN(Cc5ccccc5)C[C@@H]4C3)cc21	705957537	OYENEIFUXXOWMF-FVJLSDCUSA-N	362.477	2.231	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC(NCc3ccc(O)c(O)c3O)C2)C1	1918428848	PKZFQZQRWLUDLC-UHFFFAOYSA-N	350.415	2.293	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1CC(c2cnn(C)c2)=NO1	1536551199	YLJRLHMBJFGOAC-AUUYWEPGSA-N	369.469	2.035	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H](c2nnc(S)n2C2CC2)C1	1543632101	KHSFWWQPGLGQBR-GFCCVEGCSA-N	374.466	2.262	10	10	FECE	
COc1ccc(CN[C@@H]2CC[C@H](CNC(=O)CCc3nc[nH]n3)C2)cc1C	1707101538	HWGHWHWDTQMNRW-DLBZAZTESA-N	371.485	2.129	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1	1556158003	PKDMCYXYXAGIFE-GXTWGEPZSA-N	372.396	2.337	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC[C@@H](O)COc2cccc(F)c2)cc1	1630104989	HYKAFFMREHZNNH-CQSZACIVSA-N	360.345	2.158	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2ccc3ncn(C)c3n2)cc1	1639814459	ZFJMHFFWHIVZMJ-UHFFFAOYSA-N	353.426	2.185	10	10	FECE	
COC(=O)COc1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1	1630532370	JFCAHKPYKIHVSC-UHFFFAOYSA-N	366.373	2.422	10	10	FECE	
CC(C)[C@H](C(=O)NCc1cc(O)ccc1O)N1Cc2ccccc2C1=O	1651225375	HJIFHUCGGVFFRJ-GOSISDBHSA-N	354.406	2.395	10	10	FECE	
O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1Cc2cccc(O)c2C1	1650673097	RAWOMKVHRWJTRG-UHFFFAOYSA-N	351.322	2.037	10	10	FECE	
CN[C@H](c1ccccc1O)[C@]1(O)CCN(C(=O)OCc2ccccc2)C1	1922460407	CGYNROXKOQDBGA-QUCCMNQESA-N	356.422	2.426	10	10	FECE	
CO[C@H](C(=O)NCc1cccc(C)c1O)C1CN(C(=O)OC(C)(C)C)C1	2139760945	DNWSLINXUROPOF-INIZCTEOSA-N	364.442	2.199	10	10	FECE	
CCNCc1ccc(OC[C@@H](O)CN2C(=O)c3ccccc3C2=O)c(C)c1	2025439121	ZSIWSNNWUVHKMN-INIZCTEOSA-N	368.433	2.140	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060613455	RLHOJHVCCUGDRP-YNEHKIRRSA-N	353.423	2.218	10	10	FECE	
COC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2060638094	RXZIHSRGDNYQME-FZWSLVFFSA-N	353.423	2.360	10	10	FECE	
COC1(C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)CN(C(=O)OC(C)(C)C)C1	2060642107	RDAGVSQWMGSEPY-LBPRGKRZSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NCc3ccc(F)cc3O)CO[C@H]2C1	2084167688	DKJWZWCRGHTBNW-DZKIICNBSA-N	352.406	2.255	10	10	FECE	
CN1C[C@H](O)[C@@H](N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)C1	2106606350	NOOVXYGDLVMLPI-ROUUACIJSA-N	361.486	2.139	10	10	FECE	
CN(C(=O)CN1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1ccc(N)cc1	2106651503	PBXZRABKWVUCBA-MRXNPFEDSA-N	362.474	2.221	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(CCC(=O)Nc1ccc(N)cc1)C2	2106765722	LGZZTHRJBQQSAX-BFUOFWGJSA-N	360.458	2.196	10	10	FECE	
CCN1CCc2cc([C@@H](N)CN3CC(NC(=O)OC(C)(C)C)C3)ccc21	2112998922	QAPSNRVXDXVQDS-KRWDZBQOSA-N	360.502	2.278	10	10	FECE	
COc1ccc(C=C2SC(=S)N([C@@H](C)C(=O)O)C2=O)c(OC)c1	2295990426	JNAIAPSKWQGYMF-QMMMGPOBSA-N	353.421	2.378	10	10	FECE	
COc1ccc(Br)c(CN2CC(F)(F)C[C@H]2CN)c1O	2296411913	WCMATNUGTNRKQO-QMMMGPOBSA-N	351.191	2.332	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2C(=O)NCCc1ccc(O)c(O)c1	2296639938	FRJNHCZPSSWODN-HEHGZKQESA-N	362.426	2.012	10	10	FECE	
O=C(CN1C(=O)C(=Cc2ccccc2)SC1=S)NC1=NCCS1	2297303530	NMHCXYSQDOPRRW-UHFFFAOYSA-N	363.489	2.107	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)C1(COC)CC(NC(=O)OC(C)(C)C)C1	2315990047	WNQLDFSHAYCXPV-UHFFFAOYSA-N	355.439	2.465	10	10	FECE	
COC(=O)C1=C(C)N2C(=N)/C(=C\c3ccc(OC)cc3)C(=O)N=C2S1	102470321	SEQVUPILCIDRIQ-ZJMWYTODSA-N	357.391	2.405	10	10	FECE	
CC[C@@H]1Oc2ccc([N+](=O)[O-])nc2N(CCOc2ccc(N)cc2)C1=O	75261262	NIRCFNYZGYLCIK-ZDUSSCGKSA-N	358.354	2.155	10	10	FECE	
CCCC(=O)NCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	134261056	PRWKUOAIGBYVSN-OAHLLOKOSA-N	367.877	2.043	10	10	FECE	
CC(=O)N(C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(N)cc1	242541356	BYTHQRJVVMAMNN-MRXNPFEDSA-N	351.406	2.197	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCC[C@@H](c3ccncn3)C2)cc1	361644563	OHPWNUCPFFCLGN-QGZVFWFLSA-N	353.470	2.038	10	10	FECE	
Cn1ccnc1C[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1	373111554	UUMKZYBGRKPOBV-GFCCVEGCSA-N	371.397	2.118	10	10	FECE	
COC(C)(C)CS(=O)(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	290660676	FRCNNTAWVFJZGR-HNNXBMFYSA-N	357.472	2.128	10	10	FECE	
CC(=O)C(=O)COC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C	808493405	CPSVWLDCMZUYED-UHFFFAOYSA-N	351.362	2.259	10	10	FECE	
COC[C@@H](NC(=O)NCc1cc(Br)ccc1O)[C@@H]1CCCO1	805390219	FYDNZFYDEZEWDC-OCCSQVGLSA-N	373.247	2.148	10	10	FECE	
Cc1cc(C(=O)N2CCC(C(=O)N(C)C)CC2)c(C)n1-c1ccccn1	298661716	CCINNZVAMJDVOP-UHFFFAOYSA-N	354.454	2.430	10	10	FECE	
CCn1cnc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)c1	805135744	RMTGHICTLRLAGB-UHFFFAOYSA-N	350.227	2.394	10	10	FECE	
CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCc1c(O)ccc2c1CCCC2	830597571	OVUGUOCNIRIZQW-HGHGUNKESA-N	358.482	2.420	10	10	FECE	
Cc1cc(CCNC(=O)[C@@H](C)N2CCN(C)CC2)c(C)n1-c1ccccc1	732912400	MLKDQMQZZLZYCE-LJQANCHMSA-N	368.525	2.389	10	10	FECE	
CN(C)c1ccc(/C=C/CNC2CCN(S(=O)(=O)C3CC3)CC2)cc1	835044150	XEGUWHTUTMQPDX-ONEGZZNKSA-N	363.527	2.312	10	10	FECE	
Cc1cc(CC(=O)N[C@H](CO)Cc2cnn(C)c2)c(C)n1-c1ccccc1	911131259	ZHQJVWZSXHPCTL-IBGZPJMESA-N	366.465	2.090	10	10	FECE	
Cc1cc(O)c(CNCC2(N3CCOCC3)CCOCC2)c(Cl)c1	840952493	BKHCVDLPWOWURY-UHFFFAOYSA-N	354.878	2.325	10	10	FECE	
CCS(=O)(=O)C1(CNC(=O)NCc2c(O)ccc3c2CCCC3)CC1	852649385	JOXUDHFRSZORFZ-UHFFFAOYSA-N	366.483	2.038	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@@H]3[C@H]5OC)C2)cc1	854297924	TWADUVCWJBLEGW-DRZXCDEASA-N	371.481	2.339	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2C[C@@H](C)n3ncnc32)cc1	852473508	OKSVDCWFWVNAGX-CZUORRHYSA-N	358.446	2.070	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21	935944871	BGLUKQWYRNGGRJ-MGPQQGTHSA-N	351.443	2.189	10	10	FECE	
C[C@@H]1C[C@@H](C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)[C@@H](C)O1	868838513	HMVCNCARIYVYPP-YRGRVCCFSA-N	354.397	2.231	10	10	FECE	
CC(C)(C)OC(=O)[C@H]1C[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C1	871912685	XFDVXWORCSPIEK-HDJSIYSDSA-N	360.410	2.277	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(-c2cc(O)n(C)n2)n1CC1CC1	1123449204	OSDYDZDZOFUXIG-UHFFFAOYSA-N	354.414	2.136	10	10	FECE	
COC(=O)c1cnc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cn1	1124623652	VVADIZDPUUXYRZ-UHFFFAOYSA-N	354.410	2.136	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CC[C@H](C(F)(F)F)[C@@H]3C)nc12	791585198	SKSDOELBJFFTFK-CABZTGNLSA-N	372.347	2.384	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCN(c3cccc(F)c3)CC2)cc1	1175453899	NVOLVMPATAPAGG-UHFFFAOYSA-N	370.472	2.330	10	10	FECE	
C[C@@H](NC[C@@]1(NC(=O)OC(C)(C)C)CCOC1)c1cc(O)ccc1O	688534809	FPEYTHVPDQYVSW-XIKOKIGWSA-N	352.431	2.432	10	10	FECE	
CCN1C[C@@H](CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC1=O	1252724769	GZWPRYDZVSIIDM-QGZVFWFLSA-N	358.486	2.297	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2cccc(O)c2O)C1	1520510494	YHPLPTPJIZSXEQ-BFUOFWGJSA-N	362.426	2.361	10	10	FECE	
Cc1nc(O)nc(O)c1CC(=O)NCc1cc(Cl)cc(Cl)c1O	1450719277	BPFDODTXCHXCGP-UHFFFAOYSA-N	358.181	2.068	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(CO)cc1	1520314136	VPBOXGNIKKHESO-UHFFFAOYSA-N	359.401	2.476	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc(NC(C)=O)cn3)C2)cc1	1528317741	OFIDGGJWPVFZRF-OAHLLOKOSA-N	354.410	2.057	10	10	FECE	
COC(=O)C1(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)CCOCC1	1544868915	XFGQQLJFJMKKHM-UHFFFAOYSA-N	370.449	2.475	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ncccc1OC	1546151855	JRQQXRGNAVKUTI-UHFFFAOYSA-N	364.785	2.265	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1	1626174191	MZQKJTRHNUPSIC-DZGCQCFKSA-N	360.414	2.147	10	10	FECE	
NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(O)c(O)cc2s1	1626802690	ORNUFZYBXGLDSH-LBPRGKRZSA-N	356.403	2.139	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(Br)nc1O	1567467099	AUULJJMOKZNVIS-MRVPVSSYSA-N	367.199	2.322	10	10	FECE	
CC(C)(C)OC(=O)NC1(C(=O)NCCc2ccc(O)c(O)c2)CC=CC1	2124283680	RPCQNUPANIQSAP-UHFFFAOYSA-N	362.426	2.370	10	10	FECE	
Cc1c(C(=O)Nc2ccc(N)cc2)nnn1-c1ccc2c(c1)OCCO2	160339907	QIPAFOPDFGOUAC-UHFFFAOYSA-N	351.366	2.181	10	10	FECE	
C[C@@H](NCc1ccc(O)c(O)c1)C1(O)CCN(C(=O)OC(C)(C)C)CC1	1918975732	HMRWAMBHBDBVGQ-CYBMUJFWSA-N	366.458	2.338	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H](CC(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1	2135932816	AUCYDBBLZFGIAK-KBPBESRZSA-N	367.450	2.419	10	10	FECE	
CC(C)(C)OC(=O)NOCCNCc1ccc(N2CCOCC2)cc1	2029515451	VBFGXLJEGCZPHB-UHFFFAOYSA-N	351.447	2.069	10	10	FECE	
COc1cccc(C2N3C[C@]4(C)CN2C[C@](c2ccccc2)(C3)[C@@H]4O)c1O	2059113438	SKJBQIFBNOCULN-NGQZJGFESA-N	366.461	2.349	10	10	FECE	
COc1cccc(O)c1CNC[C@]1(NC(=O)OC(C)(C)C)CCOC1	2042568770	IBDPGOGCPQBQAW-GOSISDBHSA-N	352.431	2.174	10	10	FECE	
CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2060638813	BEHBZEJRZUNNPV-RYUDHWBXSA-N	355.439	2.342	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2060615898	UIZHXPYWSLPXJZ-AGIUHOORSA-N	353.423	2.048	10	10	FECE	
C[C@@H]1OC2(CNC(=O)OC(C)(C)C)CC1(NCc1ccc(O)cc1O)C2	2100615762	JKZGIKRBSXQVKZ-RMEHTXHKSA-N	364.442	2.402	10	10	FECE	
O=S1(=O)C[C@H]2CCC[C@]2(NCc2cccc(Br)c2O)C1	2201868606	WBNWOROYLBIFOT-RISCZKNCSA-N	360.273	2.212	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C2)c(OC)c1	2226805628	PBFCSDIXBFVXJN-DZGCQCFKSA-N	366.458	2.416	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)NCCCN=[N+]=[N-])C[C@@H]2OCCC[C@H]21	2260007436	ZHPAEXUXRIWLLS-BFQNTYOBSA-N	353.423	2.265	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@]12C[C@H]2C(=O)NCCc1ccc(O)c(O)c1	2268131907	QRELYQDSGHJEPQ-HGQUKEQDSA-N	362.426	2.060	10	10	FECE	
COc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(OC)c3)C2=O)c1	2296740227	NBHPYQZJVVFLJX-UHFFFAOYSA-N	368.345	2.076	10	10	FECE	
CC1=NN(c2ccccc2C)C(=O)C1=CNc1ccc(S(N)(=O)=O)cc1	2297511663	XCNYWHJJTFWULR-UHFFFAOYSA-N	370.434	2.361	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@H]1CO[C@]2(CNC(=O)OC(C)(C)C)C[C@H]1C2	2342986510	ZAHDGIJIYPXEEW-GDZNZVCISA-N	367.450	2.465	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)[C@H](CC(C)C)NC(N)=O)cc1F	66932484	XIXORTQZLQJLPV-HNNXBMFYSA-N	352.454	2.371	10	10	FECE	
COc1ccc(N2CCN(C(=O)CCC3CCN(C(C)=O)CC3)CC2)cc1	173060246	UMBCVIRIADJMOA-UHFFFAOYSA-N	373.497	2.383	10	10	FECE	
CC1=NN(c2ccc3nncn3n2)C(=O)/C1=C\Nc1cccc(Cl)c1	36358010	FCIMFQITIYUCLP-JYRVWZFOSA-N	353.773	2.496	10	10	FECE	
Cc1ccc(CN(C)C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)o1	283948033	HYMWAQPVYFHIAO-UHFFFAOYSA-N	355.438	2.463	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)N3C[C@H](C)CC[C@H]3C)CC2)cc1	804317953	UDMATUPSCRZSBA-HZPDHXFCSA-N	373.497	2.427	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	820062248	ACXAXOGUDFPILD-GOSISDBHSA-N	366.465	2.482	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C[C@H]1CCCOC1)C(=O)O	909042530	GJAZRFFBKGZTMW-RHSMWYFYSA-N	363.458	2.130	10	10	FECE	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1	731679431	ASIGSMXQUNZXQW-GOSISDBHSA-N	352.438	2.357	10	10	FECE	
CC(C)C[C@H](CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1)C(=O)O	588592657	LWMMIQTVQGBPEX-CTEOGUNLSA-N	360.454	2.400	10	10	FECE	
C[C@@H](NC(=O)[C@]1(C)C[C@H](O)CN1C(=O)OC(C)(C)C)c1ccccc1O	913763979	XMPSWJSIGWDTLA-NQCMUKECSA-N	364.442	2.330	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc(CO)cc3OC)C2)cc1	912292025	HCHCGGZQFSESGX-OAHLLOKOSA-N	356.422	2.205	10	10	FECE	
CCOC(=O)[C@@H](CC1(OC)CCC1)NC(=O)/C=C\c1ccc(O)c(O)c1	846518236	ZPPDEFSPWQIEKG-IQCBXXCUSA-N	363.410	2.118	10	10	FECE	
C[C@H](NC(=O)NCC1CCC(S(C)(=O)=O)CC1)c1ccccc1O	924289629	VWSYWXUXDAVLTM-HSBZDZAISA-N	354.472	2.356	10	10	FECE	
CCN1CC[C@H](N(CC)C(=O)NCc2ccc(N3CCOCC3)cc2)C1	853473759	BSQLDWALZNLZRI-IBGZPJMESA-N	360.502	2.149	10	10	FECE	
Cc1cc(CC(=O)O[C@@H](C)C(=O)N2CCNC2=O)c(C)n1-c1ccccc1	853933525	FRVPTUWVQXBMMT-HNNXBMFYSA-N	369.421	2.120	10	10	FECE	
Cc1cc(CC(=O)NC[C@@H]2CN3CCCN2CC3)c(C)n1-c1ccccc1	854355038	XUAOZFPZTFSWDB-OAQYLSRUSA-N	366.509	2.143	10	10	FECE	
CNC(=O)Nc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	929249307	HCPNIFYLVDDQLA-UHFFFAOYSA-N	368.437	2.409	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)C[C@@H]3CCOC[C@@H]3OC)CC2)cc1	1117755668	XEMTTZZMWAYAEM-LPHOPBHVSA-N	362.470	2.176	10	10	FECE	
CNC(=O)Cn1nc(NCc2cc(C)cc(Br)c2O)cc1C	781635512	IZRJKQPFDQGGHK-UHFFFAOYSA-N	367.247	2.326	10	10	FECE	
O=C(COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)c1ccc(O)c(O)c1	782670541	GLFVPVCNIIPGRU-HNNXBMFYSA-N	369.373	2.129	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N3CC(=O)N(C)[C@H](C)C3)cc2)CC1	799923284	HCOHVNUZQRQKGF-MRXNPFEDSA-N	358.486	2.295	10	10	FECE	
COC(=O)[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1ccccn1	1159494599	JVLUEGFFDCGAPB-HNNXBMFYSA-N	358.375	2.352	10	10	FECE	
C[C@H](NC(=O)Cc1nc(C2CCOCC2)n[nH]1)c1ccc(N(C)C)cc1	1346592515	VFLNBSWGOLXUDE-ZDUSSCGKSA-N	357.458	2.185	10	10	FECE	
CC(C)[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CC1	1350938122	YEWVKKUNRWOQBH-MJGOQNOKSA-N	374.481	2.451	10	10	FECE	
COc1ccccc1C(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1463278817	HBPFPEZVWMBUSA-SFHVURJKSA-N	369.465	2.363	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(O)c3F)cc2)CC1	1616252853	XAKHIXSZQZEJRW-UHFFFAOYSA-N	371.412	2.130	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3ncc4c(F)cccn34)cc2)CC1	1625144945	BICGHOVLOULXOQ-UHFFFAOYSA-N	367.428	2.155	10	10	FECE	
CN(C)C(=O)CCn1c(C2CCC2)nnc1N(C)Cc1ccccc1O	1710982510	XIABWSWGJKGKCK-UHFFFAOYSA-N	357.458	2.366	10	10	FECE	
O=C(Cc1ccc(Br)cc1O)NCc1cc(O)ccc1O	1558175564	VVHSSKIPFZZNLW-UHFFFAOYSA-N	352.184	2.425	10	10	FECE	
CCOC(=O)c1cccc2nc(NC(=O)Cc3ccc(O)c(O)c3)[nH]c12	1637114963	XCOHYDZSHVPZMH-UHFFFAOYSA-N	355.350	2.332	10	10	FECE	
CC1(C)OC(=O)C(=CNc2cccc(C(=O)NCc3ccco3)c2)C(=O)O1	14837285	VBVORMUGOWTPEJ-UHFFFAOYSA-N	370.361	2.342	10	10	FECE	
Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCSc1nccs1	154378742	FNBSJXIOMRYABP-NSHDSACASA-N	352.489	2.360	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)c1cccc(OCC(F)(F)F)n1	156630141	BMVWLDGPNPUOLR-UHFFFAOYSA-N	356.300	2.406	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc3c(c2)CCO3)CC1	2133750767	ANQXVERVYYLTOJ-UHFFFAOYSA-N	362.470	2.473	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](C(=O)N3CC[C@H](N=[N+]=[N-])C3)C[C@@H]21	2135127801	ACKFYTOEQBRFAQ-ZOBORPQBSA-N	365.434	2.312	10	10	FECE	
COC(=O)[C@@H]1C[C@]1(N)c1cc(Br)cc(Br)c1O	1952774118	DKKLYEHUKOSWGQ-CPCISQLKSA-N	365.021	2.264	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC12CC(NC(=O)COc1ccc(N)cc1)C2	2106257592	LTSDQNRKXQFKJW-BTUGKURYSA-N	361.442	2.210	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)CCOc3ccc(N)cc3)[C@H]2C1	2106236968	ISJWVGJTUDPKMO-QLPKVWCKSA-N	361.442	2.019	10	10	FECE	
CCC[C@@H](CNC(=O)c1cc(O)c(O)c(O)c1)NC(=O)OC(C)(C)C	2218566213	AYXLRQXQUOLBBG-NSHDSACASA-N	354.403	2.227	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC=CCl	2264041285	YGNBGRVYOPZIFP-LBPRGKRZSA-N	370.833	2.402	10	10	FECE	
O=C1NC(=S)SC1=CN1N=C(c2ccc(Cl)cc2)C[C@H]1C(=O)O	2294778320	ZMVPMSNKPZGYHA-JTQLQIEISA-N	367.839	2.192	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1CN(C(=O)c1cccc(O)c1O)C2	2333677532	YESIRNACZTWRDO-YRGRVCCFSA-N	362.426	2.473	10	10	FECE	
CNC(=O)c1ccc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)cc1	111995423	XEXOBAXFMYCMHO-UHFFFAOYSA-N	359.451	2.447	10	10	FECE	
C[C@@H](NCC1CCN(CCN(C)C)CC1)c1ccc(N2CCOCC2)cc1	124317706	DMSXEZDFMFIDCH-LJQANCHMSA-N	374.573	2.447	10	10	FECE	
CCCN1CCC[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	136214586	KJIMLSHDVCEINZ-FQEVSTJZSA-N	359.514	2.386	10	10	FECE	
CCS(=O)(=O)N1CC(CN[C@@H](C)c2cc3c(cc2O)CCCC3)C1	190677856	KTSBEERRYFFHJM-ZDUSSCGKSA-N	352.500	2.203	10	10	FECE	
COc1ccc(N2CCN(c3nc(C)cc(C(=O)NC4CC4)n3)CC2)cc1	243670649	PDTWXVIJWUUSFB-UHFFFAOYSA-N	367.453	2.012	10	10	FECE	
COc1ccc(N2CCN(c3cc(NC[C@@H]4CCCO4)ncn3)CC2)cc1	242612028	CMNUJNYHMAEDQG-SFHVURJKSA-N	369.469	2.403	10	10	FECE	
O=C(/C=C/c1ccncn1)NCc1ccc(N2CCC(CO)CC2)cc1	272075987	ATRZKCCSSILOGE-ZZXKWVIFSA-N	352.438	2.015	10	10	FECE	
Cc1ccc(CN(C)S(=O)(=O)NCC(C)C)c(O)c1Br	2381128204	QHOLUWLUHBALDX-UHFFFAOYSA-N	365.293	2.385	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NCc1ccc(F)c(F)c1O	700679849	ZKIPPZPKIRECGI-STQMWFEESA-N	358.385	2.394	10	10	FECE	
COC[C@H]1CCN(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)C1	800920574	PORUDQXSHIHQEN-AWEZNQCLSA-N	351.422	2.045	10	10	FECE	
CN(C)c1ccc([C@H](O)c2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)cc1	2163063702	SDLNXQGBUIANGZ-KRWDZBQOSA-N	373.457	2.218	10	10	FECE	
CC[C@@H](C)NC(=O)CCNC(=O)NCc1cc(Br)ccc1O	804972202	CBPUQSAGZZYSQU-SNVBAGLBSA-N	372.263	2.259	10	10	FECE	
CN(C(=O)c1cc(O)c(O)c(O)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	2132392847	MZFJYGDDLJSNTP-LBPRGKRZSA-N	366.414	2.275	10	10	FECE	
O=C1OCCN1C[C@H]1CCN(Cc2ccc(Br)cc2O)C1	826023823	HXOHSIVJRRJDFC-NSHDSACASA-N	355.232	2.429	10	10	FECE	
CO[C@@H](CS(=O)(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CC1	827183640	NWMREUGNSWJTJV-AEFFLSMTSA-N	369.483	2.128	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]12	827158658	SNMSHPYQPLRQRR-ZIFCJYIRSA-N	355.482	2.455	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C\c1cncc(O)c1	588408518	ZSVNIZCIQKNBKJ-DAXSKMNVSA-N	353.422	2.296	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21	828496384	GCEFNNWLCNTVKY-JENIJYKNSA-N	353.466	2.231	10	10	FECE	
CN(C)c1ccc(CN2CCc3sc(S(N)(=O)=O)cc3C2)cc1F	827769904	VICNKRHVNVJCPA-UHFFFAOYSA-N	369.487	2.159	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCn3c(CC4CC4)nnc3C2)cc1	844777689	SVGQHNVGLTWXQH-UHFFFAOYSA-N	354.458	2.022	10	10	FECE	
Cn1c2c(ccc1=O)[C@H](NCc1ccc(N3CCOCC3)cc1)CCC2	846106658	DHFXVNCOTYUVDT-LJQANCHMSA-N	353.466	2.389	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)COc3ccccc3[N+](=O)[O-])C2)cc1	855234718	KUJYHYQWJDFNST-AWEZNQCLSA-N	371.393	2.377	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCN3C(=O)C(C)(C)C)C2)cc1	855233113	WVBJGFINXCMDOR-MAUKXSAKSA-N	373.497	2.427	10	10	FECE	
C[C@@H]1C[C@H]1N1C[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1=O	750655670	BLIVYOPUMBJYFJ-IDHHARJASA-N	370.497	2.436	10	10	FECE	
O=C(C[C@H]1NCc2ccccc21)NCc1ccc(N2CCOCC2)cc1	852793870	ICLIMYNLRPDGFZ-HXUWFJFHSA-N	351.450	2.374	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC[C@@H]2CN(Cc3ccncc3)CCO2)c1	858565428	PKUGWBNDPVTFRJ-CRAIPNDOSA-N	357.454	2.347	10	10	FECE	
COCCN(CCF)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	853643690	LHPRYYZJHHXCRH-UHFFFAOYSA-N	353.438	2.292	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H](N)c3ccc(F)cc3F)C2)cc1	852900478	MQDHXBVCOLONFY-UGSOOPFHSA-N	361.392	2.368	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@]4(CCN(C)C4)C3)C2)cc1	852449146	PZTVOBVVOKHCOW-UZLBHIALSA-N	358.486	2.011	10	10	FECE	
COC(=O)c1cnc(N[C@H]2CCN(c3ccc(OC)cc3)C2)c([N+](=O)[O-])c1	853759418	UEOOJXJXRHEYSJ-ZDUSSCGKSA-N	372.381	2.476	10	10	FECE	
CCOC(=O)[C@]1(F)CN(C(=O)c2ccc(C)c(O)c2O)CC12CCC2	855243295	WRKYOOGGLGDGFC-GOSISDBHSA-N	351.374	2.304	10	10	FECE	
COc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2O)cc1NC(C)=O	753020343	QTOGFSSXHWLSSJ-UHFFFAOYSA-N	372.349	2.438	10	10	FECE	
O=C1[C@H](NCc2cccc(Br)c2O)CCN1C1CCOCC1	776231111	LSNKCIDYWSMHRX-CQSZACIVSA-N	369.259	2.024	10	10	FECE	
C[C@H](NC(=O)[C@]1(C)COC[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O	1877566783	CSDXUHAHXXIRJR-VRHCTWJESA-N	364.442	2.499	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(F)ncc3C)cc2)CC1	890129437	QEWODKMMBJCKGS-UHFFFAOYSA-N	370.428	2.128	10	10	FECE	
COc1ccc(CNC(=O)CNC(=O)c2cc3c(s2)CCCC3)c(O)c1	794376295	FHZVRQHZYVZTCD-UHFFFAOYSA-N	374.462	2.387	10	10	FECE	
CC(C)c1nn(C)cc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	797021719	SJLLIDVCOUJYFB-CYBMUJFWSA-N	357.458	2.425	10	10	FECE	
CN1C[C@@]23CCCC[C@@]2(C1)CN(CC(=O)NCc1ccc(N(C)C)cc1)C3	1308171997	XPCWDKYUJKRCNZ-FGZHOGPDSA-N	370.541	2.177	10	10	FECE	
CCc1nnc(N(C)CC(=O)NC(C)C)n1Cc1ccc(N(C)C)cc1C	1306070897	KFJAODJXTGLLHL-UHFFFAOYSA-N	372.517	2.224	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)N[C@@H]1CCCC(F)(F)C1	1323480853	OBELKUPOLQGFGS-SNVBAGLBSA-N	363.455	2.436	10	10	FECE	
CO[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	1334876773	CKQDLQKMJQEBSM-UKRRQHHQSA-N	358.360	2.193	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C(N)=O)cc1	1444174352	UQJIOUGOINUQMS-OAHLLOKOSA-N	351.366	2.074	10	10	FECE	
COc1cccc(/C=C2\C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)c1	1070387	PQZLDOKYNJTELC-MHWRWJLKSA-N	354.337	2.496	10	10	FECE	
CC[C@H](F)C(=O)N[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C	1520976741	CMELOEXBUAVWPF-SWHYSGLUSA-N	363.393	2.316	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccnc2[nH]cnc12	1295590887	RITGTTMVSGLPFO-UHFFFAOYSA-N	374.784	2.132	10	10	FECE	
COc1cccc(C[C@@H](O)C(=O)NCc2ccc3cccnc3c2O)c1	1469250960	VGULOAKCQNQZGV-QGZVFWFLSA-N	352.390	2.169	10	10	FECE	
C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Cc1ccc(O)c(O)c1	1628985220	PQPPRIDCECNRTN-GFCCVEGCSA-N	356.426	2.493	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)/C=C/[C@H]2COC(C)(C)O2)N(C)C)cc1	1637004737	NLMBMSXQBBOZJC-JWSDNSILSA-N	361.486	2.179	10	10	FECE	
CC(=O)c1cccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CCC3)c1	5601650	KFVKGAJYAOMJGT-UHFFFAOYSA-N	364.448	2.339	10	10	FECE	
O=C(c1ccco1)N1CCN(Cc2ccc(N3CCOCC3)cc2)CC1	158471161	KURWZASMKCYRKM-UHFFFAOYSA-N	355.438	2.074	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C	1968788485	FGFKPJUGKCLQPH-ZFWWWQNUSA-N	365.474	2.367	10	10	FECE	
CO[C@@H]([C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C(C)(C)N	1952830280	UUDLQEKEZCDFEX-DOMZBBRYSA-N	354.447	2.286	10	10	FECE	
CN(C[C@H]1CCCCS1(=O)=O)c1ccc(CO)c(Br)c1	694072864	VLPPPPBKEQGQAI-CYBMUJFWSA-N	362.289	2.345	10	10	FECE	
CCN1CCc2cc([C@@](O)(CNC(=O)OC(C)(C)C)COC)ccc21	2044711274	QGCQGSCUIGHLAN-LJQANCHMSA-N	350.459	2.428	10	10	FECE	
C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C1COC1)c1ccccc1O	2072478753	ABZUBROPVOGXJZ-IAQYHMDHSA-N	350.415	2.109	10	10	FECE	
C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCN1CC(=O)N(C)c1ccc(N)cc1	2106663028	VFCFVKSKVNLAIB-CZUORRHYSA-N	362.474	2.219	10	10	FECE	
O=S1(=O)C[C@@H]2CCC[C@]2(NCc2cc(Br)ccc2O)C1	2201867085	OXJDVFRKJRUOLW-FZMZJTMJSA-N	360.273	2.212	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-])C1(O)CCC1	2218736540	ZUNWPCAHFBASBV-SDDRHHMPSA-N	353.423	2.142	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CN(c2ccc3c(c2)COCC3)CC[C@H]1CO	2226716141	RRUYRAHTZMVUMS-YJBOKZPZSA-N	362.470	2.471	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1C(=O)N1CCc2cc(O)c(O)cc2C1	2341194672	WYAUTLDXVRWNHM-ZIAGYGMSSA-N	362.426	2.286	10	10	FECE	
CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1ccccc1O	2124164897	CQJBMOFZFAYDSS-GDBMZVCRSA-N	364.442	2.280	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCN([C@H](C)c3nc(C)no3)CC2)c1O	175648784	JISOAAAEKJETNQ-LLVKDONJSA-N	362.405	2.304	10	10	FECE	
CO[C@H]1CC[C@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1	187996154	CEEJKWSERYWCOP-HKUYNNGSSA-N	361.486	2.262	10	10	FECE	
Cc1cc(C(=O)N2CCC(O)CC2)c(C)n1-c1ccc2c(c1)OCCO2	75560984	UHFHQTCRWBRAID-UHFFFAOYSA-N	356.422	2.462	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCCO[C@@H]3C)cc2F)CC1	191430136	KZTQOGALJWUGNJ-NVXWUHKLSA-N	363.477	2.399	10	10	FECE	
CCOC(=O)[C@H]1CCCCN1C(=O)/C=C\c1ccc(N2CCOCC2)cc1	255108689	OJKJQSCCNLGIQG-SCEWNMGZSA-N	372.465	2.481	10	10	FECE	
COc1cc(Br)cc(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1O	361392591	WWSRHSDOVGAFCZ-WQAKAFBOSA-N	369.259	2.262	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@H]3C[C@@H](C(N)=O)C3)ccc21	629215061	RUCNVFULONWFDN-IYBDPMFKSA-N	357.454	2.240	10	10	FECE	
COC[C@H](C)S(=O)(=O)N(C)Cc1ccc(C)c(Br)c1O	2381130336	XJBARGJSGYUERU-JTQLQIEISA-N	366.277	2.260	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC([C@@H](C)O)CC1	297584162	BYKUHRQBLLKDSC-OAHLLOKOSA-N	362.470	2.140	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@@H](C)c3ccnn3C)cc2F)CC1	817431828	FMSUZWKOQUGABB-HNNXBMFYSA-N	373.476	2.121	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cn([C@@H]2CCCNC2)nn1	818211458	DACKGLDTTXDOMW-GOSISDBHSA-N	370.501	2.319	10	10	FECE	
CN1CCN(c2ccc(CN3CC[C@@H](C(F)(F)F)[C@H](N)C3)cc2)CC1	903983058	BFBHRRDJRGFNFY-IAGOWNOFSA-N	356.436	2.150	10	10	FECE	
CC(C)O[C@@]1(CNC(=O)NCc2ccc(N(C)C)c(F)c2)CCOC1	915367012	UQDLLWROFZNCQO-GOSISDBHSA-N	353.438	2.275	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)CSC(C)(C)C)nc12	918820425	VDPMECDEMNWHDD-UHFFFAOYSA-N	367.427	2.187	10	10	FECE	
CN1CC[C@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	742804725	AZUWBTKYEYFCAW-UONOGXRCSA-N	353.413	2.325	10	10	FECE	
COc1cc(Br)cc([C@H](C)NC[C@]2(O)CCO[C@H]2C)c1O	848549759	SWIBFYGLFVQREY-AMJWSMQMSA-N	360.248	2.354	10	10	FECE	
CN(C)[C@H]1C[C@@H](CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1	847408710	YSJIXMHWGHXKEU-JQHSSLGASA-N	361.486	2.423	10	10	FECE	
COc1cc(Br)cc(CN[C@@H]2CNCCC2(F)F)c1O	841074139	BVSUKAYPBZGARO-LLVKDONJSA-N	351.191	2.250	10	10	FECE	
COc1ccc(N2CCN(CCCNC3[C@@H](C)COC[C@@H]3C)CC2)cc1	924580875	XQKKQZGVTOOVEQ-ROUUACIJSA-N	361.530	2.468	10	10	FECE	
Cc1cc(C(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)c(C)n1-c1ccccn1	855700418	OQKKUTBQJWXSPV-DZGCQCFKSA-N	361.467	2.185	10	10	FECE	
O=C(NCc1ccc(N2CCCCC2)cc1)c1cn(C[C@@H]2CCOC2)nn1	858836420	XKVAJMJQVMLDLK-KRWDZBQOSA-N	369.469	2.235	10	10	FECE	
CN(C)c1ccc(CN(C(=O)NCc2nnc(O)n2C2CC2)C2CC2)cc1	923863120	CDELOHRONQGJTQ-UHFFFAOYSA-N	370.457	2.259	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H](O)CCc3ccccc3)C2)cc1	855232967	CYRJYTLUWSIDOK-PXNSSMCTSA-N	354.450	2.384	10	10	FECE	
Cc1cc(CCN2C(=O)[C@@H]3COCCN3C2=O)c(C)n1-c1ccccc1	760973354	YCXKZNROKBLGEE-SFHVURJKSA-N	353.422	2.300	10	10	FECE	
CCOC(=O)[C@H]1[C@H]2CN(c3ccc(/C=C\C(=O)OC)cc3[N+](=O)[O-])CC[C@H]21	1307207139	KWNCJBPGZTWZNC-VSYRIERUSA-N	374.393	2.416	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](C)c2nnc(O)n2C)c1	1163835378	CFJZKDZAPKDBJX-GFCCVEGCSA-N	367.409	2.232	10	10	FECE	
CO[C@](C)(CO)CNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C	1233974712	RBJBRVTWXZTLND-FQEVSTJZSA-N	359.470	2.333	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCCN4CCC[C@H]4C3)C2)cc1	1327731507	CXBJBFDKBROMTH-WMZOPIPTSA-N	358.486	2.154	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)N[C@H](C(C)C)C3CC3)C2)cc1	1330637172	GWNZGRKBZAVZDJ-DNVCBOLYSA-N	373.497	2.189	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)cc1F	1263729252	QHEOGHNWSUILCW-UHFFFAOYSA-N	371.416	2.246	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2c(N(C)C)ncnc2n1C	1440662979	HBNACCBXZIYKCX-UHFFFAOYSA-N	366.469	2.373	10	10	FECE	
CN(C)CCSc1nc(CC(=O)NCc2cccc(O)c2O)cs1	1455313458	APFFMMUGYJOSCP-UHFFFAOYSA-N	367.496	2.067	10	10	FECE	
CCc1ccc(N2C[C@@H](C(=O)NCc3cc(O)ccc3O)CC2=O)cc1	1455349237	PRLOMIGNZXMSAT-HNNXBMFYSA-N	354.406	2.330	10	10	FECE	
Cc1cc(C(=O)N2CC(N[C@@H]3CCOC3)C2)c(C)n1-c1ccc(F)cc1	1456297667	SEZQQUDQSWKVEC-MRXNPFEDSA-N	357.429	2.436	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H](c2ccccn2)C2CC2)c1	1635492674	MGJQWZQHNUOBLN-INIZCTEOSA-N	361.423	2.040	10	10	FECE	
CN(C)C1(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCCC1	1637554083	DTHNMZFJSGLGDD-UHFFFAOYSA-N	367.440	2.292	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)[C@H]3CCCN3C3CCCC3)cc2)CC1	1644526841	ZSGUOURDXRKUNG-OAQYLSRUSA-N	370.541	2.462	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@](F)(CNCc2ccc(O)c(O)c2)C1	2126039432	JBYCOJQTFFIALN-SFHVURJKSA-N	370.421	2.163	10	10	FECE	
O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CC(=O)N(CC2CC2)C1	1687429592	MVIAQVUGNVZGGF-HNNXBMFYSA-N	357.454	2.081	10	10	FECE	
CN(CC1(O)CCCC1)c1cc2c(cc1Br)[C@@H](N)C(=O)N2	161730814	XBKLVMJMDRSISF-CYBMUJFWSA-N	354.248	2.142	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H]4[C@H](CCCN4C4CC4)C3)cc2N1	161934294	RGSJBMXEOBVJER-IUODEOHRSA-N	372.425	2.379	10	10	FECE	
COC(=O)CCN1C(=O)/C(=C\c2cccc(OC)c2OC)SC1=S	206239458	SPMFTPJJCWOPDQ-FMIVXFBMSA-N	367.448	2.468	10	10	FECE	
Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(N3CCC(O)CC3)cc1)CC2	160313508	QLZQQDZYFXXTPP-RHSMWYFYSA-N	355.486	2.213	10	10	FECE	
CCOCCN1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H]1C	155716903	ZYWIQEWVQVFODS-SFHVURJKSA-N	372.513	2.315	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H]2CO[C@H](CNC(=O)OC(C)(C)C)C2)c1O	2139749933	AMHFKKCPSOAURE-GJZGRUSLSA-N	364.442	2.247	10	10	FECE	
Cc1cccc(CNC(=O)[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)c1O	2139742640	WLRRJHZLCYODIR-LJQANCHMSA-N	364.442	2.343	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H](CNCc2cccc(O)c2O)C1	2040715460	AFBVUEOZBGFLSR-ZDUSSCGKSA-N	352.431	2.071	10	10	FECE	
CN[C@@H](C)c1ccc(N2C[C@H]3C[C@H]2CS3(=O)=O)c(Br)c1	321356626	YWPNLSBSHMEJPK-ZMLRMANQSA-N	359.289	2.105	10	10	FECE	
CCNCc1ccc(N(C)[C@H](C)CS(C)(=O)=O)c(Br)c1	688567722	BVLHWNVBNRDRMV-LLVKDONJSA-N	363.321	2.428	10	10	FECE	
C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)c1ccccc1O	1151885907	MWLYJAXGOXVCRO-BXUZGUMPSA-N	352.431	2.234	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NC(=O)Nc1ccc(N)cc1	2044245932	PFPGDECMXXJJMG-KBPBESRZSA-N	350.419	2.073	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2C(=O)C(=O)C[C@H]1C[C@H](N)C1	2049787264	WIZFQMSEOSZNIE-JSLGZRHDSA-N	350.459	2.191	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C2(CCC2)C1	2049783005	PPNFCDONDKFRIS-MGPQQGTHSA-N	350.459	2.289	10	10	FECE	
CCCN(c1ccc(CN)cc1Br)[C@H]1CCS(=O)(=O)C1	2201906235	BLELYLMKYJZGLZ-LBPRGKRZSA-N	361.305	2.311	10	10	FECE	
CN(C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C1CC1	2080885761	FIAZNOMUPSSDQV-ZDUSSCGKSA-N	350.415	2.154	10	10	FECE	
COc1cccc(O)c1CNC[C@H]1CN(C)CCN1C(=O)OC(C)(C)C	2104437305	HJTIHBQZEGFOQQ-AWEZNQCLSA-N	365.474	2.042	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1CNC(=O)COc1ccc(N)cc1	2106238794	FQXLGSAEBCTSPT-CJNGLKHVSA-N	363.458	2.457	10	10	FECE	
CN(C[C@H]1CCN1C(=O)OC(C)(C)C)c1cc2c(cc1N)OCC(=O)N2	2106872494	SDVDSFIYBPQHFF-LLVKDONJSA-N	362.430	2.045	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)[C@@H](O)[C@@H]1CCN1C(=O)OC(C)(C)C	2106854114	YYXPJQZVAOVNNT-KSZLIROESA-N	361.486	2.310	10	10	FECE	
CC(C)N1C(=O)C(=C2SC(=S)N(CC(=O)O)C2=O)c2ccccc21	2294704096	PDJWXYVOHWXAJJ-UHFFFAOYSA-N	362.432	2.098	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)c3cc(C)nn3CC)cc2F)CC1	106702601	RCBIDSBZAMDDCD-UHFFFAOYSA-N	373.476	2.422	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2cnn3c4c(cnc23)C(=O)CCC4)cc1	64987379	RXXDGKCSTQCWCM-UHFFFAOYSA-N	363.421	2.244	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(=O)N[C@@H](C)c3ccccc3)CC2)cc1	244257616	WKSSJBLAEULVTN-INIZCTEOSA-N	367.449	2.221	10	10	FECE	
CC(=O)N(C(=S)N1CCN(c2ccccn2)CC1)c1ccc(N)cc1	244396024	YHOPYFQCWBRKFK-UHFFFAOYSA-N	355.467	2.124	10	10	FECE	
CC(=O)NC(C)(C)c1noc(/C=C\c2ccc(N3CCOCC3)cc2)n1	254977466	JHYXVPOAJTUVNM-TWGQIWQCSA-N	356.426	2.448	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CC(C)(C)O[C@]3(CCOC3)C2)cc1F	280803600	HNHTVQHJFVVQRS-LJQANCHMSA-N	365.449	2.371	10	10	FECE	
CN[C@H](c1ccc(N(C)C)cc1)[C@H](NC(=O)OC(C)(C)C)c1cn(C)nn1	2166693231	BYPRYSJNANVZCC-IAGOWNOFSA-N	374.489	2.408	10	10	FECE	
O=Cc1c[nH]c(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)c1	815912071	YEFRVQHJJFPLGM-UHFFFAOYSA-N	366.465	2.289	10	10	FECE	
CSCCCCNC(=O)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	817831100	JHALHZAIKISAPU-OAHLLOKOSA-N	365.543	2.368	10	10	FECE	
O=C(C[C@@H](O)Cc1ccccc1)NCc1ccc(N2CCOCC2)cc1	813419016	BRBARFQZVATXJS-FQEVSTJZSA-N	354.450	2.133	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2cc(O)c(O)c(O)c2)C1	2132404376	RFMWWANMVPHIRQ-LLVKDONJSA-N	366.414	2.132	10	10	FECE	
CO[C@@H]1COCC[C@@H]1CC(=O)NCc1ccc(N2CCSCC2)cc1	822586633	VNRADFSKJGQPFQ-SJLPKXTDSA-N	364.511	2.298	10	10	FECE	
CC(C)[C@H](NCC(F)(F)F)C(=O)NCc1ccc(N2CCOCC2)cc1	823293036	WRFYSKLWZJFCFC-INIZCTEOSA-N	373.419	2.316	10	10	FECE	
NS(=O)(=O)c1cc2c(s1)CCN(Cc1c(O)cccc1Cl)C2	827775427	FFBZMAXLDLCBLV-UHFFFAOYSA-N	358.872	2.313	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)CNc3ccccc3)CC2)cc1	829504634	HFQOBIWLGNDHII-UHFFFAOYSA-N	368.481	2.046	10	10	FECE	
CN1CCN(c2ccc(CN3CC[C@H](C(F)(F)F)[C@@H](N)C3)cc2)CC1	903983060	BFBHRRDJRGFNFY-IRXDYDNUSA-N	356.436	2.150	10	10	FECE	
COc1cc(Br)cc([C@H](C)N[C@H]2CCCCNC2=O)c1O	848518455	LSWBBBGZPQRWHU-CABZTGNLSA-N	357.248	2.483	10	10	FECE	
Cc1ccccc1-n1cc(/C=C2/SC(N3CCOCC3)=NC2=O)cn1	843270167	XDDPHSCFLPVNEB-MHWRWJLKSA-N	354.435	2.483	10	10	FECE	
CCc1cccc(CN2CCC(CC(=O)N3CCN(C)CC3)CC2)c1O	848884355	BKTOCONLYUPKPZ-UHFFFAOYSA-N	359.514	2.331	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CCC(=O)NC3CCCC3)C2)cc1	855233859	OCUPFTXEUXCADW-MRXNPFEDSA-N	359.470	2.229	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cn3ccc(C(F)F)n3)CC2)cc1	858128883	FEIKVBXRILTMJO-UHFFFAOYSA-N	350.369	2.178	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)C(C)(C)c3cnc[nH]3)cc2F)CC1	857118244	HWSDKUKYGBVIKK-UHFFFAOYSA-N	373.476	2.285	10	10	FECE	
C[C@H](NC(=O)N[C@H](C)c1nccn1C)c1ccc(N2CCOCC2)cc1	852012261	HLXGZGXWPAWTJH-LSDHHAIUSA-N	357.458	2.378	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)Cc3ccccc3)C2)cc1	852448429	IZSDPPIZPFKEPF-PKOBYXMFSA-N	369.465	2.177	10	10	FECE	
COc1ccc(N2CCN(Cc3cc4c(cc3O)OC[C@@H]4O)CC2)cc1	768437573	ABXIKXWOJWPXGB-IBGZPJMESA-N	356.422	2.149	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NN2CCCC2=O)C1	768184902	LGBXTINWGSYUGQ-UHFFFAOYSA-N	354.454	2.061	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)N1Cc2cccc(O)c2C1	871204936	LPHQOGIDAPWNIL-CQSZACIVSA-N	362.426	2.260	10	10	FECE	
Cc1nn(-c2cccnc2)nc1C(=O)Nc1c(Cl)ccc2nonc12	1128607549	VMVAGFCOYFJPCY-UHFFFAOYSA-N	355.745	2.413	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O	899141589	DRAWHPCMPSXFFL-MNOVXSKESA-N	367.448	2.104	10	10	FECE	
CN(Cc1cnc(N(C)C)nc1)C(=O)NCc1ccc2c(c1)CCCN2C	780828102	NREUADHCWQHFBS-UHFFFAOYSA-N	368.485	2.267	10	10	FECE	
Cc1ccn2ncc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)c2c1	1303086222	VUWWQTRVHIZXTH-UHFFFAOYSA-N	363.465	2.325	10	10	FECE	
CN(C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(N=NC(N)=O)cc1	1151550683	IFMJOGJYLDBPRZ-OWCLPIDISA-N	359.430	2.173	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@H]1CC[C@H]2CC[C@H]1OC2)c1ccc(N(C)C)cc1	1335883424	GQJCRPMFRYTPAO-DFEHZGFQSA-N	359.470	2.004	10	10	FECE	
COC(=O)c1cnc(S[C@@H](C)C(=O)Nc2sccc2C(N)=O)s1	1613811744	DCQGDZBBGHWDGE-LURJTMIESA-N	371.465	2.209	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@@H]2CCOC2)n1CC1=CCCOC1	1617940639	QBWHCJFVFHPEKB-QGZVFWFLSA-N	370.453	2.471	10	10	FECE	
O=C(CCCNC(=O)c1ccc(F)cc1F)NCc1c(O)cccc1O	1639289783	WCFHMPBBJOSFQF-UHFFFAOYSA-N	364.348	2.202	10	10	FECE	
COc1ccc(Br)c(CNC[C@@](C)(O)CSC)c1O	1964568327	MUVYLSVEHIMRLE-CYBMUJFWSA-N	350.278	2.367	10	10	FECE	
CN(CCOCCNC(=O)NCc1ccccc1O)C(=O)OC(C)(C)C	1683993241	CYHVPQNOZAAOIV-UHFFFAOYSA-N	367.446	2.075	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)c2nnc3n2CCCC3)c1	153522546	QJTYGYVTAOZHGG-NEPJUHHUSA-N	359.430	2.450	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)N3CCC(N=[N+]=[N-])CC3)O2)C1	2140442502	CBIUCTSTDOCWIC-CYBMUJFWSA-N	365.434	2.456	10	10	FECE	
CCOC[C@H](CNC(=O)OC(C)(C)C)NCCc1ccc(O)c(O)c1	2031076827	AJSZJJOUSAJGSH-AWEZNQCLSA-N	354.447	2.160	10	10	FECE	
Oc1ccc(CNCC[C@@H]2CN(Cc3ccccc3)CCO2)c(O)c1O	311783428	JDLUMKJSAGAUMT-QGZVFWFLSA-N	358.438	2.184	10	10	FECE	
Nc1ccc(CS(=O)(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1	390490338	AADXWBSGABLWTK-IBGZPJMESA-N	359.495	2.353	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2O)CN(C(=O)OC(C)(C)C)C1	2054416577	WXFIUGZWGDCGLH-NWDGAFQWSA-N	350.415	2.473	10	10	FECE	
CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1	2060633148	KGCRLOOZBGGFPQ-HSMVNMDESA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CN(c3cc4c(cc3N)OCCO4)C[C@@H]2C1	2106873949	KYQQTYGIGPPKAV-BETUJISGSA-N	361.442	2.343	10	10	FECE	
COc1cc(N)c(N2CCOC[C@H]2CNC(=O)OC(C)(C)C)cc1OC	2106817120	XKSDQJZGLJBJHV-GFCCVEGCSA-N	367.446	2.016	10	10	FECE	
Cc1c(C=CC(=O)N(CCN2CCOCC2)c2ccccc2)cnn1C	2304163048	SHBKFGZIDULOJN-UHFFFAOYSA-N	354.454	2.107	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-])[C@H]1CCOC1	2312333263	FNGGLGQJNGSPAE-QNWHQSFQSA-N	353.423	2.264	10	10	FECE	
COc1ccc(C(=O)NC2=N[C@H](c3ccc(C)cc3)CC(=O)N2)cc1OC	20924368	VMPJASORTRMDCW-HNNXBMFYSA-N	367.405	2.359	10	10	FECE	
COc1cccc2c1OCC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C2	33515931	OOLIFGQQKMJEPE-SDQBBNPISA-N	363.416	2.300	10	10	FECE	
CC(C)OC(=O)[C@@H]1CCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1	122642031	DBDGRAOMGIFXAZ-SFHVURJKSA-N	361.486	2.127	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCn2ccnc21	81557877	JHLBVBBETYTZLA-HNNXBMFYSA-N	358.417	2.053	10	10	FECE	
CN(c1ccc(CNC(=O)N2CC[C@@H](NC(N)=O)C2)cc1)C1CCCCC1	270763015	QNQLYQYPLSMESD-MRXNPFEDSA-N	373.501	2.408	10	10	FECE	
COc1cc(O)c(CNC[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1OC	282845197	DAKBVFQNZVSZQP-UGSOOPFHSA-N	351.443	2.067	10	10	FECE	
CCN(CCc1nccs1)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	807672309	BHXWACUVDLYBHO-AWEZNQCLSA-N	374.510	2.478	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)c1ccc(-n2cnnn2)cc1	804734800	ZQTRCLUWCAJXGK-UHFFFAOYSA-N	374.198	2.060	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)CCCSC)CC2)cc1	735995814	UCEDQBGVBWXZDK-UHFFFAOYSA-N	365.543	2.467	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)NCc1ccc(O)cc1O	910956002	IUUXBORHCZPIBQ-SQWLQELKSA-N	362.426	2.217	10	10	FECE	
COC[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(C)C	914241825	SXLIDSWRAMFLLD-MRXNPFEDSA-N	367.465	2.380	10	10	FECE	
Cc1ccc(C[C@H](C)N(C)C(=O)C(=O)NCCc2ccc(N)cc2)cc1	842234737	BCTDUPLIKFYLMJ-INIZCTEOSA-N	353.466	2.326	10	10	FECE	
COc1ccc(N2CCN(C(=O)C3(C(=O)OC(C)(C)C)CC3)CC2)cc1	845078483	VLOPDFFTAYGROI-UHFFFAOYSA-N	360.454	2.466	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCC[C@H](CNC(=O)[C@H]3CCCN3)C2)cc1	843058084	OSAFPVIJJKIUKC-KPMVZVDBSA-N	370.541	2.346	10	10	FECE	
Cc1cc(O)c(CNC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c(Cl)c1	840902714	SJVOHUGFLDDGEQ-GTNSWQLSSA-N	351.834	2.164	10	10	FECE	
COC1(C[C@H]2NC(=O)N(Cc3ccc(N4CC=CC4)cc3)C2=O)CCC1	844715753	FVYNFTMNSZJFNN-QGZVFWFLSA-N	355.438	2.442	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2C[C@H](C)n3ncnc32)cc1	852473509	OKSVDCWFWVNAGX-XJKSGUPXSA-N	358.446	2.070	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC)cn3)C2)cc1	854022334	FCUCLEZOZKXSNB-HNNXBMFYSA-N	356.426	2.177	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C(=O)NCc2ccc3cccnc3c2O)C1	862027214	NANFQKMYEVROOS-UHFFFAOYSA-N	357.410	2.424	10	10	FECE	
COc1ccc(OC)c(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1	775288085	JZNSJTCRYUHTAO-UHFFFAOYSA-N	354.340	2.118	10	10	FECE	
CO[C@@H](C(=O)N[C@@H](C)c1ccccc1O)C1CN(C(=O)OC(C)(C)C)C1	1877567969	QJPCJWTYFCGKQF-BLLLJJGKSA-N	364.442	2.451	10	10	FECE	
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	891243291	KYHYEMBJXGYNLF-KSZLIROESA-N	361.486	2.061	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)c3nc(C)ns3)cc2F)CC1	790052597	KWPRBVZARBYUEO-UHFFFAOYSA-N	363.462	2.058	10	10	FECE	
CN(C)c1ccc(CNC(=O)CC[C@@H]2CC[C@H](C3OCCO3)O2)cc1F	895979926	BFKRJPOIKFRLJO-WMLDXEAASA-N	366.433	2.209	10	10	FECE	
COC(=O)c1c(CNC[C@](C)(O)CSC)c2cc(F)ccc2n1C	894287141	AZSLHGYZTBGAFZ-KRWDZBQOSA-N	354.447	2.308	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)N[C@]23C[C@H]2COC32CCC2)N(C)C)cc1	899096359	SLQJJWHPBZEGRM-YRISNDGFSA-N	372.513	2.366	10	10	FECE	
O=C(NCc1c(O)ccc2ccccc12)c1cc(N2CCOCC2)ncn1	1157050718	JPAHRJAFHZMONB-UHFFFAOYSA-N	364.405	2.102	10	10	FECE	
CN(CCN1CC2(CCOCC2)C1)C(=O)c1ccc(N=NC(N)=O)cc1	1174861834	KSUJJGZADPQHOW-UHFFFAOYSA-N	359.430	2.033	10	10	FECE	
CN1CCN(c2ccc(CN3CCNC[C@H]3c3cccnc3)cc2F)CC1	1345955585	HLORHRMNISWHIO-NRFANRHFSA-N	369.488	2.119	10	10	FECE	
COc1cccc(CNC(=O)c2nnn(-c3ccc(F)c(F)c3)c2C)c1O	1445972499	YMJLKDFQXBGAOQ-UHFFFAOYSA-N	374.347	2.498	10	10	FECE	
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(O)cc1O	1299575428	ZWVGSRBDCJLRCC-ZDUSSCGKSA-N	370.471	2.360	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCCn2cc(Br)cn2)cc1	1297615321	FUWAQHCVZRRRSJ-UHFFFAOYSA-N	365.191	2.238	10	10	FECE	
COCC#CCN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1	1707044231	CAMSLFAIFOFESZ-IAGOWNOFSA-N	371.441	2.129	10	10	FECE	
C[C@@H](NCC1(CCO)CN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1O	2119202872	PALYMCQHJQSJJE-CYBMUJFWSA-N	366.458	2.368	10	10	FECE	
CC[C@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CCS1	1471191551	PNSZYTAZXLMRML-SFHVURJKSA-N	362.543	2.475	10	10	FECE	
COc1c(C)cccc1CNC(=O)c1cc(NS(C)(=O)=O)ccc1O	1628049048	OCVNRQPQAZRLMZ-UHFFFAOYSA-N	364.423	2.011	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(-n2cnnn2)c(C)c1	1636058852	UEWNISSPAWLEEK-UHFFFAOYSA-N	358.398	2.092	10	10	FECE	
CNC(=O)N[C@H]1CCN(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)C1	1567390639	XWNFRYPTKFJJPT-KRWDZBQOSA-N	368.437	2.050	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1nn(-c2ccc(F)cc2F)cc1O	1643104154	NTZNLYCLCLRMPD-UHFFFAOYSA-N	361.304	2.197	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCOC1	1747750701	XIMUIJPCJJCUOK-GDBMZVCRSA-N	358.442	2.161	10	10	FECE	
COCCN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)NC1=S	5905996	VZAYUOPRIGFVJG-GXDHUFHOSA-N	372.402	2.349	10	10	FECE	
C[C@H](N)c1ccc(N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1Br	2145071362	GOAHZDRWWLJTIT-PKFCDNJMSA-N	359.289	2.092	10	10	FECE	
COC[C@@]1(NCc2ccc(O)cc2O)CCN(C(=O)OC(C)(C)C)C1	2039840641	ILYQIKYXESTHNI-GOSISDBHSA-N	352.431	2.213	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])CO1	2060608746	LNHVCUFTXFKUPU-AGIUHOORSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)C(=O)NCCCCN=[N+]=[N-]	2060640263	SAUBBQVYMLYSPL-JTQLQIEISA-N	369.451	2.181	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)NCC1(CN=[N+]=[N-])CC1)C1(O)CCC1	2067739174	FYYDNLHFRGRDCB-NSHDSACASA-N	353.423	2.001	10	10	FECE	
CC(C)(C)OC(=O)NCCn1cnc(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])c1	2225791344	CQFXRZFBBAARIY-NWDGAFQWSA-N	363.422	2.369	10	10	FECE	
COc1ccc(Br)c(CN[C@@]23COC[C@@H]2C3(F)F)c1O	2236055713	RLRBPOYNWSZNEV-JQWIXIFHSA-N	350.159	2.287	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2253542459	BUGMRDHRBWWNOS-XQQFMLRXSA-N	353.423	2.048	10	10	FECE	
Cn1cc(C=CC(=O)N2CC(C)(C)c3c(Cl)cccc32)c(=O)n(C)c1=O	2297413852	LWVTZNYWLJNAHG-UHFFFAOYSA-N	373.840	2.075	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H](C)Cc3cc(C)[nH]n3)CC2)cc1	177889717	BBLYFCOYAKQYOK-AWEZNQCLSA-N	357.458	2.190	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(CC(N)=O)cc1	181219883	RJDOAOSNJKUVMV-UHFFFAOYSA-N	354.410	2.211	10	10	FECE	
Cc1cnn(-c2ccc(S(=O)(=O)NCCc3ccc(N)cc3)cc2F)c1	193341086	BZQDLSUYKOHQHB-UHFFFAOYSA-N	374.441	2.423	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NC[C@@H](O)CN2CCCCC2)cc1	194451841	FBVWORRCEZIVPO-LJQANCHMSA-N	362.518	2.179	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)NC[C@@H](O)c1ccsc1	255388122	ASNWPGHWHNUCII-VDNIUXDYSA-N	358.463	2.448	10	10	FECE	
C[C@]1(CN2C(=O)CN(Cc3ccccc3O)C2=O)COc2ccccc2O1	530194659	HQEUOXBGDQTUJT-FQEVSTJZSA-N	368.389	2.387	10	10	FECE	
Cc1cc(C(=O)Cn2nnn(C3CC3)c2=O)c(C)n1-c1ccc(F)cc1	809977527	ZHHATFOGFWCGJG-UHFFFAOYSA-N	355.373	2.204	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)N[C@H]3CC[C@H]3C)CC2)cc1	805864426	KFFZEVVWEXMOLF-APWZRJJASA-N	360.502	2.305	10	10	FECE	
CCn1cncc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O	805135326	JOZDXJKKHUKPLZ-UHFFFAOYSA-N	350.227	2.394	10	10	FECE	
COCC[C@@H](Cc1cccc(Br)c1)C(=O)OCC(=O)C(C)=O	808520573	UQLSIBUJOLRPMX-ZDUSSCGKSA-N	371.227	2.346	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@@H](C)C1CCCC1)c1ccc(N2CCOCC2)cc1	803297928	KFLAJBLJPBBSRH-HOTGVXAUSA-N	373.497	2.395	10	10	FECE	
CC(C)(C)OC(=O)NC1(CNC(=O)c2ccn(-c3ccc(N)cc3)n2)CC1	2162523253	APJUKVSYSATJNQ-UHFFFAOYSA-N	371.441	2.242	10	10	FECE	
O=C(O)[C@H]1[C@@H](CNCc2cc(Br)cc(F)c2O)C1(F)F	715231978	WUUQUYFPOCBRJA-VXNVDRBHSA-N	354.122	2.349	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccccc1CN1CCOCC1	588403802	QREZDICAWFYLFL-VURMDHGXSA-N	368.433	2.260	10	10	FECE	
C[C@@H](NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cn[nH]c1	838533121	CIIPETYJWOEELU-LLVKDONJSA-N	365.384	2.085	10	10	FECE	
O=C(O)c1nc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cs1	911095185	ABIINWVVKYODHQ-GFCCVEGCSA-N	362.407	2.368	10	10	FECE	
C[C@]1(c2ccccc2)CCN(Cc2cc(O)n3ncc(C(=O)O)c3n2)C1	846251754	JHXYIXUDGWJXBL-IBGZPJMESA-N	352.394	2.297	10	10	FECE	
CCc1nc([C@H](C)NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)n[nH]1	854298391	CDJCPCFOUKTZIT-QWHCGFSZSA-N	358.446	2.015	10	10	FECE	
CCN(CC)CCSCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	855229899	CRIJBBCFLCKXAA-INIZCTEOSA-N	365.543	2.465	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cc(CN4CCCC4)on3)C2)cc1	855223485	ARLBCBUDGDZBSR-HNNXBMFYSA-N	370.453	2.288	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)NC(=O)C3CCCCC3)C2)cc1	855231899	YEYNOASWNWOITP-NVXWUHKLSA-N	373.497	2.475	10	10	FECE	
C[C@@H](NC[C@@]12COCCN1C(=O)OC2)c1ccc(Br)cc1O	866521065	KQVMLQSPOXOTEL-BMIGLBTASA-N	371.231	2.027	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1CC2(CSC2)C1	864931733	NVCYKCKZVITQHZ-UHFFFAOYSA-N	350.459	2.422	10	10	FECE	
CCCNC(=O)COC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	769662756	HMYSJXMJWXATLS-UHFFFAOYSA-N	371.481	2.477	10	10	FECE	
O=S1(=O)CCN(Cc2c(O)cccc2Br)[C@H]2CCC[C@@H]21	862388079	WTUPPTIBTONISC-JSGCOSHPSA-N	360.273	2.306	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1ncnc2c1ncn2C	871701320	ACWNQKOXSWLNPX-UHFFFAOYSA-N	370.482	2.180	10	10	FECE	
COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC[C@H](C)C(C)C)CC2)cc1	778286844	BWYTUWAJJNFKFS-IBSYWUHOSA-N	373.497	2.308	10	10	FECE	
Cc1cccc(CNC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1O	776252701	OSBAICCQSVBUSR-PMACEKPBSA-N	365.477	2.389	10	10	FECE	
C[C@H](NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)c1cc([N+](=O)[O-])ccc1O	786956834	FGHAFXNBBLKDTN-FZJZNOJXSA-N	356.422	2.460	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCC[C@H]2CCCO2)cc1	786597926	KYYGRQRBOUSRML-GOSISDBHSA-N	361.486	2.177	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H]1C(C)(C)C1(F)F	1328959858	SXALQTCMSORJQH-CQSZACIVSA-N	353.413	2.085	10	10	FECE	
CN1CCN(c2ccc(CN3CC[C@H](C(F)(F)F)[C@@H](N)C3)cc2F)CC1	1334054072	DJVNATHMWPXVNI-HOCLYGCPSA-N	374.426	2.289	10	10	FECE	
CCOC(=O)C1=CC[C@@H](NCc2ccc(N3CCN(C)CC3)c(F)c2)C1	1261830221	OICFASKYMWYRMY-QGZVFWFLSA-N	361.461	2.319	10	10	FECE	
C[C@@H](NC(=O)C(=O)N1CC(Cc2ccoc2)C1)c1ccc(N(C)C)cc1	1351362577	ITHJKDNUDMFWGP-CQSZACIVSA-N	355.438	2.224	10	10	FECE	
CCOCc1nnc(N(C)CCOC)n1Cc1ccc(N(C)C)c(F)c1	1297078605	CZTHZYOQOFBZGY-UHFFFAOYSA-N	365.453	2.151	10	10	FECE	
CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CCO1	2119435229	IXWQLBWHRBZJJL-OAHLLOKOSA-N	364.446	2.416	10	10	FECE	
CN(C(=O)Cn1c2c(c3cc(F)ccc31)CCCC2)[C@@H]1CC[C@@H](O)[C@H]1O	1615075850	KIJMKSLQSOTGFS-GGPKGHCWSA-N	360.429	2.002	10	10	FECE	
Cc1cc(CCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)n[nH]1	1629879895	VJCMQGZRUCILNM-UHFFFAOYSA-N	356.470	2.176	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)cc1	1623391862	VDQMHHORKCDBEI-NSHDSACASA-N	371.319	2.132	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1	1626174194	MZQKJTRHNUPSIC-ZFWWWQNUSA-N	360.414	2.147	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1cc(N2CCNC2=O)ccc1Cl	1635847204	JYQKRZBFPCAIPW-UHFFFAOYSA-N	361.785	2.211	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)C1	2124537705	AYRVKSMEZHAPEF-BFHYXJOUSA-N	367.450	2.153	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCN(C(=O)Nc2ccc(F)cc2)CC1	1586775847	NOUVXXFPUFPUSQ-UHFFFAOYSA-N	373.384	2.156	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1CC1(N(C)C)CCOCC1	1762516066	WAXKRPCDZDHMNP-UHFFFAOYSA-N	359.474	2.039	10	10	FECE	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[C@](O)(C(F)(F)F)C1	157028652	IFJXIVZTHZZYJZ-OAHLLOKOSA-N	353.300	2.390	10	10	FECE	
CC(C)(C)OC(=O)N1CC(NCc2c(O)cccc2Cl)(C(=O)O)C1	1913943573	TZUGQPPZKUXBGZ-UHFFFAOYSA-N	356.806	2.209	10	10	FECE	
C[C@H]1C[C@@H]1N(C)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136241519	ZXRCZAKQFNHFEU-UBHSHLNASA-N	364.442	2.400	10	10	FECE	
C[C@H](N)c1ccc(N2CCC[C@H]2CS(C)(=O)=O)c(Br)c1	2151281847	QFIMGZQYOCITET-JQWIXIFHSA-N	361.305	2.482	10	10	FECE	
Nc1ccc(CC(=O)N2CC[C@@](COCc3ccccc3)(C(=O)O)C2)cc1	2159937558	UJKNMKSSIRAYKH-OAQYLSRUSA-N	368.433	2.331	10	10	FECE	
CN1CCc2cc([C@H](N)c3cn(C)nc3CNC(=O)OC(C)(C)C)ccc21	2179928954	QDKFUBMRPNTUKX-SFHVURJKSA-N	371.485	2.485	10	10	FECE	
Cc1nc([C@@H](CN)N(C)c2ccc(CNC(=O)OC(C)(C)C)cc2)nn1C	2194916677	PKFHRARNOPTAHI-MRXNPFEDSA-N	374.489	2.284	10	10	FECE	
CN(C(=O)OC(C)(C)C)C(C)(C)CNC(=O)COc1ccc(N)cc1	2044203009	UULOELGVCYTQGZ-UHFFFAOYSA-N	351.447	2.409	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2060635468	MDUFCXVQJXVSBN-QWHCGFSZSA-N	353.423	2.314	10	10	FECE	
COC[C@@]1(C(=O)N(C)CCCN=[N+]=[N-])CCN(C(=O)OC(C)(C)C)C1	2060611898	ZLUNQWCLTMZDRB-MRXNPFEDSA-N	355.439	2.419	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060636666	ALQKFMMRGRTBHY-JHJVBQTASA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](CNC(=O)Nc2ccc(N)cc2)CO1	2106289877	HTDXYRHHYJUOLF-DOMZBBRYSA-N	364.446	2.320	10	10	FECE	
COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Nc1ccc(N)cc1	2106701910	WUSHEURYXHWTDC-OAHLLOKOSA-N	364.446	2.368	10	10	FECE	
COc1cc(N)c(N2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1OC	2106837109	VSTSMVXYVUBUPR-SNVBAGLBSA-N	361.364	2.181	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H](O)C(F)(F)C3)ccc(N)c2C1	2095746765	ZPTAFGFUGFEWDX-OAHLLOKOSA-N	369.412	2.378	10	10	FECE	
O=C(NC[C@@H]1CC1(Br)Br)c1ccc(O)c(O)c1	2213085874	VBEZNMLZDITWGL-ZETCQYMHSA-N	365.021	2.334	10	10	FECE	
CC(C)(C)OC(=O)NC12COC(C(=O)N3CCC[C@@H]3CN=[N+]=[N-])(C1)C2	2254810514	KHOFZQWLIZLSKL-VHWKEVPUSA-N	351.407	2.114	10	10	FECE	
COC(=O)[C@H]1CCCCN1C(=O)C=Cc1ccc(N2CCOCC2)cc1	2297807313	SHCVNTMEIQMBCE-GOSISDBHSA-N	358.438	2.091	10	10	FECE	
COc1ccc(N2CCN(C=O)CC2)cc1NC(=O)c1ccccc1OC	62160210	NEMYGHYISFBKIC-UHFFFAOYSA-N	369.421	2.235	10	10	FECE	
Cc1cc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1F	73755468	AGMZAKSELFWLFV-AWEZNQCLSA-N	364.442	2.492	10	10	FECE	
CO[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	187830425	MDLTZBLQYSYAKY-GDBMZVCRSA-N	365.449	2.154	10	10	FECE	
Cc1cc(C(=O)N(C)CC(C)(C)S(C)(=O)=O)c(C)n1-c1ccccn1	125927524	BECKAPWMJPHSQA-UHFFFAOYSA-N	363.483	2.384	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N1CCc2cc(O)c(O)cc2C1	2366898839	HDSPREJMEHLLLB-GRDNDAEWSA-N	374.437	2.238	10	10	FECE	
CN[C@H]1C(=O)Nc2cc(N3CCCO[C@H](C)C3)c(Br)cc21	252588202	ATZHQZYKJYWSNU-YMTOWFKASA-N	354.248	2.277	10	10	FECE	
O=C(CN1C[C@H](O)C[C@@H]1CO)Nc1ccc(N=Nc2ccccc2)cc1	254557144	IOFNPUNBWZVMQP-QZTJIDSGSA-N	354.410	2.468	10	10	FECE	
CCN(C)C(=O)CNC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	444283887	SCLVQFIPJPNGDY-UHFFFAOYSA-N	370.497	2.002	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCc3c(F)cccc32)cc1F	284988424	LLWPVHGOFSXYLK-QGZVFWFLSA-N	373.403	2.451	10	10	FECE	
CNC(=O)CNC(=O)c1cccc(NCc2cc(Cl)cc(C)c2O)c1	800544334	DPZBOBKRYJXGSK-UHFFFAOYSA-N	361.829	2.442	10	10	FECE	
CC(=O)C(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1N	808011080	OXCSEWZUNYRLTM-UHFFFAOYSA-N	359.432	2.089	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(CN1c1cc3c(cc1N)OCC(=O)N3)C2	2163086675	DKRDXDHALMSVDR-UHFFFAOYSA-N	374.441	2.093	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@]4(CCCNC4)C3)C2)cc1	818655981	SVKXHKYBZYGZAW-UTKZUKDTSA-N	372.513	2.307	10	10	FECE	
C[C@H](NC(=O)N(C)[C@@H]1CCN(C2CC2)C1)c1ccc(N2CCOCC2)cc1	732457286	YDPGABINOFMYHV-OXJNMPFZSA-N	372.513	2.462	10	10	FECE	
CC(=O)NCCN(C)CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C	830135513	HHFOKRTZBSVSRJ-UHFFFAOYSA-N	371.437	2.073	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)NCc2ccc(N(C)C)cc2C)c1	734405654	VSLVXSNOVDQGKR-YVMONPNESA-N	352.438	2.145	10	10	FECE	
COc1ccc(N2CC[C@@H](N[C@@H](Cc3ccc(F)cc3)C(N)=O)C2)cc1	849323148	WGJNCJRXZOQXNA-APWZRJJASA-N	357.429	2.099	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCC[C@H]2CCC(C)(C)CO2)cc1	929239321	ZGVVLWMXOFCDBH-QGZVFWFLSA-N	361.486	2.080	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3C[C@H](O)C34CCC4)C2)cc1	854187251	JQGQWEFTWBCXDV-JLSDUUJJSA-N	359.470	2.124	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C4CC4)C[C@@H](C)C3)C2)cc1	854297634	POVBUDNCIWJIPW-SJORKVTESA-N	372.513	2.400	10	10	FECE	
CCn1nc(C)c([C@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n1	924726977	BSMXUGKIRIRZPL-YOEHRIQHSA-N	370.501	2.159	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](OC)C(F)(F)F)C2)cc1	852104980	HOFLHYFHMZJFCD-BXUZGUMPSA-N	361.364	2.150	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1F	853943458	BWBZXHXOXYSSDL-AWEZNQCLSA-N	371.336	2.232	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H]4CC[C@@H](C3)N4C)C2)cc1	854299395	IFJUUMGPCYBVBV-JZXOWHBKSA-N	358.486	2.152	10	10	FECE	
Cc1cnc(F)c(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1	870001646	LLUPXINWSSGRAI-UHFFFAOYSA-N	359.401	2.411	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1F	1118669535	RUTFSGGQWGKMNW-FRRDWIJNSA-N	369.387	2.058	10	10	FECE	
COC(=O)[C@H]1CCN(C(=O)/C=C\c2cnc(OC)nc2)c2ccccc21	776338425	HYJUACLCIBLHOG-LZNQSLFOSA-N	353.378	2.192	10	10	FECE	
CN1CCN(c2ccc(CN3CCCC[C@@H]3CN3CCOCC3)cc2)CC1	775678459	DTTSAYYZOBUSQE-JOCHJYFZSA-N	372.557	2.125	10	10	FECE	
CN1CCN(c2ccc(CN3CCC(Oc4cnccn4)CC3)cc2)CC1	787295167	XLKGGUGJLISFLM-UHFFFAOYSA-N	367.497	2.272	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N2CCCC[C@H]2c2cccn2C)cc1	785424591	QOKXPHOGLKSRBQ-IBGZPJMESA-N	368.481	2.461	10	10	FECE	
COC1CCN(CCNC(=O)c2cc3cc(O)c(O)cc3s2)CC1	896883279	GKXHKAIPNSPXEO-UHFFFAOYSA-N	350.440	2.153	10	10	FECE	
CCOc1cccc(CC(=O)NCc2ccc(N3CCOCC3)cc2)n1	797838508	DDHBYIKSDFTQTD-UHFFFAOYSA-N	355.438	2.176	10	10	FECE	
CS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cccc(O)c2O)c1	1153792066	NVXYRBWQRNIPSM-UHFFFAOYSA-N	355.799	2.085	10	10	FECE	
O=C(NCc1nc([C@@H]2CCCO2)n[nH]1)NCc1cccc(Cl)c1O	1312923853	MDSLPMYQEVNFFW-NSHDSACASA-N	351.794	2.015	10	10	FECE	
CN(Cc1cscn1)c1cc2c(cc1Br)[C@@H](N)C(=O)N2	92775684	VBFWQLHCYRDOPG-GFCCVEGCSA-N	353.245	2.494	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CCCc2cccnc21	1334766315	HWAOIGLWRYNVAM-SFHVURJKSA-N	366.465	2.266	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2cnn3c2NC[C@@H](C)C3)cc1	1352324725	BPVXHLUQYUJDOW-CQSZACIVSA-N	357.458	2.162	10	10	FECE	
CCC[C@H](O)[C@@H](CO)NC(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2	1299167006	QMBKRZQFFDMWOB-XLIONFOSSA-N	374.481	2.167	10	10	FECE	
C[C@H](CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cnn(C)c1	1634424070	RZVLBQCUWDFOGP-CQSZACIVSA-N	374.460	2.330	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CCN(CCc2ccccc2)C1	1565601639	XABHDBYHXQKJRB-SFHVURJKSA-N	354.450	2.321	10	10	FECE	
CC(C)(C)c1nnc2n1CCN(C(=O)c1ccc(N=NC(N)=O)cc1)C2	1630101218	AEJFEHYRTWILML-UHFFFAOYSA-N	355.402	2.394	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2n[nH]cc2-c2ccccc2)c1	1640212057	RJHKEJLDECCECY-UHFFFAOYSA-N	372.406	2.406	10	10	FECE	
CC(C)(C)c1ccc(C(=O)NCC(=O)NCc2c(O)cccc2O)cc1	1647177817	HWMTZWJCMBBWHW-UHFFFAOYSA-N	356.422	2.442	10	10	FECE	
CN(Cc1nnc2c(=O)n(C)ccn12)c1ccc(-c2nccs2)cc1	1658928057	KBIWVLYNJRYRTR-UHFFFAOYSA-N	352.423	2.188	10	10	FECE	
Cc1cccc2c1O[C@H](C(=O)NCc1ccc(N3CCN(C)CC3)cc1)C2	1598276742	ILSOVSVBJVYSLD-FQEVSTJZSA-N	365.477	2.367	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCC2(C1)OCCO2	1751881206	KTUIHIFREDHGJO-HNNXBMFYSA-N	358.442	2.472	10	10	FECE	
C[C@@H]1C[C@H](CNCc2c(O)cccc2Br)CCS1(=O)=O	1966091704	XGYMGPBVMPHIFL-GHMZBOCLSA-N	362.289	2.458	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)C1	2126933600	OQWVFQCIPRRUEN-SUMWQHHRSA-N	367.450	2.297	10	10	FECE	
O=C(O)c1ccc(O)c(N=c2[nH]c(-c3ccccc3)ncc2C(=O)O)c1	1859857964	SEDWMQARBFTNLW-UHFFFAOYSA-N	351.318	2.411	10	10	FECE	
CCN(CC)c1ccc(CNCCC(=O)N(CCOC)CCOC)cc1	1857862262	HEGZPIDPKSIPRB-UHFFFAOYSA-N	365.518	2.134	10	10	FECE	
CN1CCCc2cc([C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)O)ccc21	1917190629	IUZUMGLCYUNKQX-GJZGRUSLSA-N	350.415	2.080	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CC12CC2	2136259677	VHEZWWWVHZOYER-SWLSCSKDSA-N	362.426	2.202	10	10	FECE	
C[C@](Cc1cc(O)c(O)c(O)c1)(NC(=O)OCc1ccccc1)C(=O)O	1951730400	BUUPCWWPRQHAJI-GOSISDBHSA-N	361.350	2.116	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNCc1ccc(F)cc1O	1971624538	QTZYFIFJGBNPJH-HNNXBMFYSA-N	353.438	2.172	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ncns1)[C@H](N)c1ccccc1O	2004767173	VTSWFDDHYLQAPH-BXUZGUMPSA-N	350.444	2.380	10	10	FECE	
O=C(OCc1ccccc1)N1C[C@H](O)[C@H](NCc2ccc3c(c2)CCO3)C1	1997819442	DQQKTTQXAKMMLB-MOPGFXCFSA-N	368.433	2.093	10	10	FECE	
CC(C)(C)OC(=O)N1CCSC[C@@H]1C(=O)NCc1ccccc1O	2010305561	BICLNIWBZFOVPO-CYBMUJFWSA-N	352.456	2.361	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@]12CCO[C@H]1CN(C(=O)OC(C)(C)C)C2	2315987539	VLWVHJRXSDNQLK-LRDDRELGSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(OCC(=O)N2CC[C@H](N=[N+]=[N-])C2)CC1	2060609872	APJMKUSKRLSBFZ-LBPRGKRZSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H](C(=O)N2CCC(N=[N+]=[N-])CC2)C1	2060618848	FDBCDXGYNBNWDQ-LBPRGKRZSA-N	353.423	2.171	10	10	FECE	
CO[C@H](C(=O)N(C)CCN=[N+]=[N-])C1CCN(C(=O)OC(C)(C)C)CC1	2067704098	ABBZYJURPFSSMR-ZDUSSCGKSA-N	355.439	2.417	10	10	FECE	
CN(C[C@H](O)COc1ccc(N)cc1)CC(C)(C)NC(=O)OC(C)(C)C	2106678777	RLERSFCCFNWRIN-HNNXBMFYSA-N	367.490	2.244	10	10	FECE	
CCN(CC(=O)N(C)c1ccc(N)cc1)C[C@@H](C)NC(=O)OC(C)(C)C	2106754398	PHKCSRGJDCQXBS-CQSZACIVSA-N	364.490	2.467	10	10	FECE	
CCN[C@@H]1C(=O)Nc2cc(N(CC(N)=O)Cc3ccccc3)c(Cl)cc21	2095891855	KYQUHNPDVGNWFJ-SFHVURJKSA-N	372.856	2.435	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H](CNCCc2ccc(O)c(O)c2)C1	2098653008	TYQPFWVGLAGUMR-HNNXBMFYSA-N	366.458	2.113	10	10	FECE	
C[C@@H](CCOc1nnc(=N)[nH]n1)N(Cc1ccccc1)C(=O)OC(C)(C)C	2209173725	XKCGEADEXNKFMU-ZDUSSCGKSA-N	374.445	2.274	10	10	FECE	
C[C@H]1CC[C@H](S(C)(=O)=O)CN1c1ccc(CN)cc1Br	2279326872	CYFAJHUEEPAAHI-JQWIXIFHSA-N	361.305	2.310	10	10	FECE	
COc1ccc(CNC=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1	2297318001	WWGVXYIRKLCOKL-UHFFFAOYSA-N	369.352	2.091	10	10	FECE	
Cc1nc(CN2CCN(C(=O)C=Cc3ccc(O)c(O)c3)CC2)oc1C	2308000698	MHPKDOZRWWIYPT-UHFFFAOYSA-N	357.410	2.060	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)OC1	2315992164	IAQCSUPYOGDEER-STQMWFEESA-N	355.439	2.465	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@H]1CCCN1C1CN(C(=O)OC(C)(C)C)C1	2337776076	IZNDUJTYHKRWBY-CQSZACIVSA-N	366.466	2.229	10	10	FECE	
CC[C@H](C)N1C(=O)/C(=C\Nc2cccc(C(=O)OC)c2)C(=O)N=C1S	102505214	XSYFVDLKXFOQGV-AVMBBCFPSA-N	361.423	2.222	10	10	FECE	
COc1ccc(C(=O)N2CCN(c3ccc4c(c3)CC(=O)N4C)CC2)cc1	62576009	SMRWKVITFJDNBW-UHFFFAOYSA-N	365.433	2.177	10	10	FECE	
COc1ccc(N2CCN(C(=O)NC[C@@H]3CCN(C4CC4)C3)CC2)cc1	79460206	WXDSDFZQFFBCRJ-INIZCTEOSA-N	358.486	2.011	10	10	FECE	
COCCN1CCC(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)CC1	138560810	JQZXHWBLZGEQNJ-UHFFFAOYSA-N	356.426	2.091	10	10	FECE	
COc1ccc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1	47214715	FITZWUDHQUJKKK-UHFFFAOYSA-N	350.415	2.345	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1C(=O)N(C)Cc1ccccc1O	194947846	VZPOEVDIXZGGQL-IAGOWNOFSA-N	368.433	2.351	10	10	FECE	
COc1ccc(N2CCN(c3cnnc(Nc4cc(C)on4)n3)CC2)cc1	253450869	VMXAYHMLJYZRHL-UHFFFAOYSA-N	367.413	2.247	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1O	366791235	CGSGBBDQLUSZIE-ZJNRKIDTSA-N	366.414	2.467	10	10	FECE	
Nc1nccc([C@H]2CCCN(Cc3ccc(N4CCOCC4)cc3)C2)n1	367656606	DKZWLUKHRUJODC-KRWDZBQOSA-N	353.470	2.275	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CC[C@]3(CNC(=O)C3)C2)cc1F	279371211	FAOMCWKQQZLORY-IBGZPJMESA-N	362.449	2.094	10	10	FECE	
O=C(OCc1ccccc1)N1C[C@H](c2cccc(O)c2O)[C@H]([N+](=O)[O-])C1	382740629	ZGHPATGSQWQMIX-HUUCEWRRSA-N	358.350	2.479	10	10	FECE	
COc1cccc(CNC(=O)[C@H](F)C2CN(C(=O)OC(C)(C)C)C2)c1O	290091792	KRIMVAHJYKRHSV-CQSZACIVSA-N	368.405	2.222	10	10	FECE	
CCc1cc(NC(=O)C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)no1	839634364	PNJJGPYQFYYXOQ-CYBMUJFWSA-N	358.442	2.297	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)CN2CCC[C@@](O)(CO)C2)c1C	839147003	ARTKYVJMPRRMHW-NRFANRHFSA-N	356.466	2.404	10	10	FECE	
CC[C@H]1Cc2ccccc2CN1Cc1cc(O)n2ncc(C(=O)O)c2n1	846251353	HKFHUQXLLOJOCL-HNNXBMFYSA-N	352.394	2.470	10	10	FECE	
CS(=O)(=O)C1CCC(C(=O)NCc2ccc3cccnc3c2O)CC1	911261534	HLONXQGMXDKIHZ-UHFFFAOYSA-N	362.451	2.160	10	10	FECE	
COc1ccc(CNC(=O)[C@H](C[C@H]2COCCO2)C(F)(F)F)c(O)c1	846949797	JUQKSVYHZITXFU-STQMWFEESA-N	363.332	2.001	10	10	FECE	
CCOC(=O)[C@]1(F)CN(Cc2cc3c(cc2O)OCO3)CC12CCC2	853523211	GXUAPILMNWGPAT-GOSISDBHSA-N	351.374	2.378	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H](N)c3c(F)cccc3F)C2)cc1	852843816	HVTGJFLKCZANGZ-KPZWWZAWSA-N	361.392	2.368	10	10	FECE	
C[C@@H](NC(=O)C(=O)N[C@@H]1CCc2cc(N)ccc21)c1ccc(N(C)C)cc1	851687198	ZMNDFDMCFCVGPO-BFUOFWGJSA-N	366.465	2.316	10	10	FECE	
CC[C@@H]1[C@@H](C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCN1C	868838343	AIIYFYLWZFIMAZ-WMLDXEAASA-N	367.440	2.148	10	10	FECE	
CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(N4CCN(C)CC4)cc3)[C@H]2C1	775739739	RBHAMJVCXOGQSO-QHAWAJNXSA-N	359.514	2.207	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1nnn(C2CC2)c1C(F)(F)F	773761155	NTTIUUICXMIGIA-MRVPVSSYSA-N	370.331	2.404	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccnn1C1CCCC1	785295458	VOTZVJOXXYGVJT-GFCCVEGCSA-N	372.425	2.095	10	10	FECE	
C[C@@H](NC(=O)C(=O)N1CC[C@H](c2nccs2)C1)c1ccc(N(C)C)cc1	897866220	USANXHPCGJKRKC-HIFRSBDPSA-N	372.494	2.402	10	10	FECE	
CC(C)(C)O[C@@H]1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)[C@H]1n1cccn1	1158288922	QXNJMYULBGHPQK-MZMPZRCHSA-N	359.426	2.150	10	10	FECE	
COc1ccccc1CCN(C)C(=O)C(=O)N(C)Cc1ccccc1O	1324834248	SBVLZTRXWRAJGH-UHFFFAOYSA-N	356.422	2.060	10	10	FECE	
C[C@H](NC(=O)C(=O)NC[C@H]1CCC2(CCC2)O1)c1ccc(N(C)C)cc1	1334514667	MWZQZPPDTRGXBB-WMLDXEAASA-N	359.470	2.148	10	10	FECE	
Cc1nnc(CN(CC(=O)NCc2ccc(N(C)C)cc2)C(C)(C)C)o1	1191730516	BJSAUAXRAQLECC-UHFFFAOYSA-N	359.474	2.361	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)NCc1cn(C(C)C)c(=O)nc1O	1479614391	GUDSDCISDYGMLA-UHFFFAOYSA-N	374.441	2.357	10	10	FECE	
CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1CC(=O)NCC1CC1	1706379224	IFJAYTZOORPXPE-UHFFFAOYSA-N	371.485	2.345	10	10	FECE	
C[C@H](NC(=O)c1cc2n(n1)CCC[C@H]2O)c1ccc(N2CCOCC2)cc1	1626977913	FVQGYYUYLMBLBY-IFXJQAMLSA-N	370.453	2.038	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1coc2c1C(=O)NCC(C)(C)C2	1556157588	FVKVHJGYKYKBOO-LLVKDONJSA-N	372.421	2.364	10	10	FECE	
Cc1ccc(N2NC(=O)/C(=C3\C(=O)Nc4ccccc43)C2=O)cc1Cl	5093028	ZOMJPYNPEKANGE-CCEZHUSRSA-N	353.765	2.432	10	10	FECE	
CSc1cncc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1	1638371199	FYLZCMPVLQIVAS-UHFFFAOYSA-N	353.425	2.133	10	10	FECE	
Cc1nc(CN2CCC(C(=O)NCc3cc(O)ccc3O)CC2)cs1	1651222706	NDOXJBAQSZTTSA-UHFFFAOYSA-N	361.467	2.391	10	10	FECE	
COc1ccc(CN(CCO)C(=O)c2ccc(N=NC(N)=O)cc2)cc1	1588795350	BWZAPVHGGFCOLG-UHFFFAOYSA-N	356.382	2.492	10	10	FECE	
CN(C)CCOCCn1c(C2CC2)nnc1N(C)Cc1ccccc1O	1766935160	VOFYMCLOLSAVTR-UHFFFAOYSA-N	359.474	2.076	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCC1(S(C)(=O)=O)CC1	1672386162	XTQDFARONKMEDI-UHFFFAOYSA-N	365.499	2.005	10	10	FECE	
CCOC(=O)c1c(CN(C)C)n(C)c2cc(F)c(O)c(CN(C)C)c12	1857516614	QKAOKPGIVCBCRZ-UHFFFAOYSA-N	351.422	2.323	10	10	FECE	
COc1cccc(CNCCN2CCN(Cc3ccccc3)CC2)c1O	237373374	PAYCHPOBXQLJAJ-UHFFFAOYSA-N	355.482	2.308	10	10	FECE	
O=C(OCc1ccccc1)N1CC[C@@](C(=O)O)(c2cc(O)c(O)c(O)c2)C1	1951730394	BSKFXZAKBQHHOY-IBGZPJMESA-N	373.361	2.168	10	10	FECE	
COc1ccc([C@H](C)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)c(O)c1	2032622624	HTJYSVKVACIWRJ-NILFDRSVSA-N	352.431	2.344	10	10	FECE	
CN[C@@H]1C(=O)Nc2cc(N(CC(N)=O)Cc3ccccc3)c(Cl)cc21	2034756631	XLAZMPSFDKXTKU-KRWDZBQOSA-N	358.829	2.045	10	10	FECE	
COc1ccc(N2CCO[C@]3(CCCN(C(=O)C(F)(F)F)C3)C2)c(N)c1	2163079206	NGOTWGYOKXKBHB-MRXNPFEDSA-N	373.375	2.038	10	10	FECE	
O=C(c1ccc(O)c(O)c1)N1C[C@H](CNC(=O)C(F)(F)F)C2(CCC2)C1	2174804671	JEECNGBKIGWBDH-NSHDSACASA-N	372.343	2.019	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3NC(=O)c1ccc(O)c(O)c1	2169551152	IMKVRCPXZHDHHA-IPJLKBMESA-N	374.437	2.472	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CC(F)(CO)C3)ccc(N)c2C1	2052728772	JOZPPQYBMCUZSU-UHFFFAOYSA-N	351.422	2.083	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ccc(O)c(O)c2)CC1(C)C	2054397532	IWAPJTBRBSXZQW-AWEZNQCLSA-N	350.415	2.473	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060608943	ONGFHWDSCHFXDO-MLGOLLRUSA-N	353.423	2.050	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2060614556	DQWLBJCYMLIZTA-CHWSQXEVSA-N	355.439	2.201	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CCC(N=[N+]=[N-])CC2)CO1	2060609249	SXFPRRHEEMXXQL-DGCLKSJQSA-N	353.423	2.312	10	10	FECE	
CN(Cc1nc(=NCc2cccc(F)c2O)[nH][nH]1)C(=O)OC(C)(C)C	2065559846	UIXOPWOIJIAQPU-UHFFFAOYSA-N	351.382	2.050	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CN(CC(=O)Nc1ccc(N)cc1)C2	2201358289	SOATVEGTIXEXRD-VBKZILBWSA-N	374.485	2.444	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)COc2ccc(N)cc2)C1	2106781478	IHKDGRZHVRKVJA-HIFRSBDPSA-N	363.458	2.409	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@H]2[C@H](NC(=O)OC(C)(C)C)[C@H]2C1	2107816372	FMGCLRJHZJEIKK-FWYOQMDTSA-N	360.458	2.051	10	10	FECE	
COC(=O)[C@H](CCN[C@@H]1CCc2cccc(O)c21)NC(=O)OC(C)(C)C	2088542278	GRKUZSFBYZZFFI-KGLIPLIRSA-N	364.442	2.426	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2C[C@H](C1)N2C(=O)OC(C)(C)C	2117053780	MVJHIUSBDATTSB-WQVCFCJDSA-N	360.458	2.289	10	10	FECE	
Cn1c(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])cnc1CNC(=O)OC(C)(C)C	2225793111	SREPMNAWEWFSAO-WDEREUQCSA-N	363.422	2.406	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](C(=O)NCCCN=[N+]=[N-])O[C@H]2C1	2260809137	WPONSGJVFBUWIW-AVGNSLFASA-N	353.423	2.218	10	10	FECE	
C[C@@H](c1nccs1)N1CCN(C(=O)C=Cc2ccc(O)c(O)c2)CC1	2309350603	WXJQXYUTTDKKSC-ZDUSSCGKSA-N	359.451	2.473	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCN(c4ccc(F)cc4)CC3)cc2N1	301625242	ZOJMRURETFNJEZ-UHFFFAOYSA-N	372.356	2.391	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1	175697186	SWADYKAPLABFER-XLIONFOSSA-N	374.529	2.395	10	10	FECE	
Cc1cc(N2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)CC2)n[nH]1	189903675	ODQMUOVZISSJLG-UHFFFAOYSA-N	366.469	2.126	10	10	FECE	
COc1ccc(N2CCN(S(=O)(=O)[C@H](C)C(F)(F)F)CC2)cc1F	184658309	UYYHZHULKPBOSC-SNVBAGLBSA-N	370.368	2.237	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC(c2ccn[nH]2)CC1	195505860	VDDFQCFNWQRQHG-UHFFFAOYSA-N	355.486	2.314	10	10	FECE	
C[C@H](NC[C@@]1(CO)COCC2(CCC2)N1C)c1cc(Cl)ccc1O	527957087	RSLSQSJXQFIKNJ-SCLBCKFNSA-N	354.878	2.312	10	10	FECE	
O=C(Cc1cccc(F)c1)N1CCN(c2ccc3c(c2)OCCO3)CC1	244395638	YHINQXABDWQIBM-UHFFFAOYSA-N	356.397	2.488	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccnn1C1CCOCC1	823292848	SPKCRJTUOAEMLY-UHFFFAOYSA-N	370.453	2.001	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)c1ccc2nc(O)n(C3CC3)c2c1	830531291	HRRHLOLCLCHOOA-UHFFFAOYSA-N	353.378	2.461	10	10	FECE	
O=C(O)c1cnn2c(O)cc(CN3CCSC[C@H]3c3ccccc3)nc12	738702176	GITKVSRXCUTNBQ-HNNXBMFYSA-N	370.434	2.423	10	10	FECE	
C[C@H]1COCC[C@H]1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	837708642	AYDLROTUPOETCI-GXTWGEPZSA-N	354.397	2.090	10	10	FECE	
COCC1(CNC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1	847384374	KOYYWNIOOFLPQU-UHFFFAOYSA-N	369.412	2.027	10	10	FECE	
COc1ccc(N2CCCN(C(=O)C(=O)N[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cc1	842518651	SNXGVHSPNMBSRI-BRWVUGGUSA-N	371.481	2.039	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3cnccc3OC)C2)cc1	852353682	DLOBOYDPQUXODK-HNNXBMFYSA-N	356.426	2.177	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc4c(c3)OCCO4)C2)cc1	855234474	AVHNNAABIOICRD-HNNXBMFYSA-N	354.406	2.475	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(OC)cnc2F)cc1	861701354	PZOSOIGQLXJRLS-UHFFFAOYSA-N	374.416	2.330	10	10	FECE	
CCC1(N2CCOCC2)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	863492383	UTWDHVKGMQTCGQ-XQRVVYSFSA-N	360.454	2.214	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H]2[C@@H](C1)C2(F)F	1328759561	AVZUGHPSJXJJPE-ZIAGYGMSSA-N	352.381	2.244	10	10	FECE	
C[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CO1	784146099	NKPALJZRQFVEGC-QFBILLFUSA-N	357.498	2.260	10	10	FECE	
Cc1cc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)nn1[C@H](C)C1CC1	784620439	CYPKGCWOJBHPIM-CQSZACIVSA-N	369.469	2.483	10	10	FECE	
CN(C)c1ccc(CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C2CC2)cc1	1136180794	NYTFXOIXWGEONT-UHFFFAOYSA-N	355.398	2.443	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)N2C[C@@H]3[C@H](C2)C3(F)F)N(C)C)cc1	899097841	HUZOYLKERLBDNP-OWCLPIDISA-N	352.429	2.262	10	10	FECE	
CCOC(=O)[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(C)C	1304768858	QFIRAIBAUQTDET-ROUUACIJSA-N	363.502	2.307	10	10	FECE	
C[C@@H](NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(N2CCOCC2)cc1	1321902370	KCSTYRNEWWYPOU-YEWFCNIMSA-N	371.481	2.005	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1CCCN1C[C@H](C)O[C@@H](C)C1	1511778643	ILUPONOKARCRML-HOTGVXAUSA-N	373.501	2.428	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)Cc1ccc(O)c(O)c1	1469207823	WWARDRPOSFUNJM-KGLIPLIRSA-N	362.426	2.251	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@@](F)(CNC(=O)c2ccc(O)c(O)c2)C1	2118175461	HTQGPXUOISPPDT-CKSWESSHSA-N	368.405	2.471	10	10	FECE	
COC(=O)[C@@]1(O)CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1	1558102594	CVWDFAMBCWJODN-HXUWFJFHSA-N	356.422	2.153	10	10	FECE	
C=C/C=C\CCNC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1	1636994774	ASBPLFLVESPOSH-NHTRZOJKSA-N	369.465	2.149	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(C(=O)N2CCC(N=[N+]=[N-])CC2)C1	2124508434	HHBANKXSBPPEJX-PXAZEXFGSA-N	365.434	2.314	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COCC[C@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2124531014	AKDAGBLEDUTHNZ-ZIAGYGMSSA-N	367.450	2.465	10	10	FECE	
COCCN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N(C)C)cc1C	1771071403	CJRJRKREUVKEKR-QGZVFWFLSA-N	373.501	2.287	10	10	FECE	
CCON(CC)C(=O)CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	1682753080	DTIKQMFZGWWFJH-UHFFFAOYSA-N	364.490	2.473	10	10	FECE	
CN(C[C@]1(Br)CC1(F)F)C(=O)Cc1ccc(O)c(O)c1	2202537473	OTOBVBJTAZTQNC-GFCCVEGCSA-N	350.159	2.271	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](CC(=O)C(=O)C[C@H]2C[C@H](N)C2)OCC1(C)C	2128626927	RXJWLBFDHQWDDM-IHRRRGAJSA-N	368.474	2.057	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc(O)c2O)[C@H](F)C1	1649069109	HUAZHACXUGJYAO-VXGBXAGGSA-N	354.378	2.175	10	10	FECE	
CCOC(=O)c1ccc(OCC(=O)c2ccc(O)c(O)c2)c([N+](=O)[O-])c1	1865753864	BXKFIQTXOGNTAK-UHFFFAOYSA-N	361.306	2.444	10	10	FECE	
CN(C)c1ccc([C@@H](NC(=O)CC[C@@H]2CCCN2)c2nccn2C)cc1	1866260146	GSHAQWKXAGSAGU-QFBILLFUSA-N	355.486	2.224	10	10	FECE	
CCCOC(=O)c1cccc(NC(=O)c2nnn(-c3ccc(N)cc3)n2)c1	1857879062	SZONXEWLGFBEEI-UHFFFAOYSA-N	366.381	2.064	10	10	FECE	
CCCNCc1ccc(N2CCS(=O)(=O)CC2)c(Br)c1	233110537	FEWHVRVQAMCSCK-UHFFFAOYSA-N	361.305	2.184	10	10	FECE	
CC1(OCC(=O)O)CN(Cc2cc(Cl)cc(Br)c2O)C1	708074823	GZOBCXSRCPRRJS-UHFFFAOYSA-N	364.623	2.484	10	10	FECE	
CCc1cccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1O	2052712235	OFCQVVLEZMDSQX-HOTGVXAUSA-N	350.459	2.415	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2O)CN(C(=O)OC(C)(C)C)C1	2054416574	WXFIUGZWGDCGLH-NEPJUHHUSA-N	350.415	2.473	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@@](O)(CNC(=O)OC(C)(C)C)C3CC3)ccc21	2106849116	QXNVQWFZGSLJHP-YLJYHZDGSA-N	361.486	2.345	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](NCc2cccc(O)c2O)C[C@]12CCOC2	2098976742	RNHNBVMHGQRNCS-LIRRHRJNSA-N	364.442	2.356	10	10	FECE	
COc1ccc(O)c(CNCC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1	2208902248	RGARRANTPDSQCO-IBGZPJMESA-N	366.458	2.252	10	10	FECE	
CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(C)C3=O)o2)cc1	2297560487	IGOXZLDVGGRDMZ-UHFFFAOYSA-N	368.345	2.215	10	10	FECE	
CN(c1ccc(CO)c(Br)c1)[C@H]1CC[C@H](S(C)(=O)=O)C1	2361702555	RGTYDWWCPVIKEJ-AAEUAGOBSA-N	362.289	2.343	10	10	FECE	
C[C@@H]1CN(Cc2ccccc2)CCN1C[C@H](O)COc1ccc(N)cc1	382689826	QAGNEPMBKMCTKC-XLIONFOSSA-N	355.482	2.215	10	10	FECE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(C)cc3)C(=N)N21	96460280	KPFXPGCZHHGSQR-AHCHECIRSA-N	362.436	2.006	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)NCCc1ccc(O)c(O)c1	255002757	UNIOOGASHUVLEF-YWEYNIOJSA-N	368.433	2.307	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)NCc3cn(CC(=O)O)nn3)c2C)c1	262836010	SKCOSMIXTWOOKF-UHFFFAOYSA-N	367.409	2.009	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)NCc2cccc(N3CCOCC3)n2)c1	274799235	UNTKYSJZYOZZND-AWEZNQCLSA-N	371.437	2.261	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(O)c1[N+](=O)[O-]	280789290	OQJCQYSURPXBFR-UHFFFAOYSA-N	371.393	2.409	10	10	FECE	
COC1CCN(c2ccc(CN3CCN4C(=O)OCC[C@@H]4C3)cc2)CC1	828563704	HLNDZWFEUJURMN-GOSISDBHSA-N	359.470	2.328	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)c2cscn2)cc1	827164870	RDWAENDXFOUZKZ-CYBMUJFWSA-N	360.483	2.483	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CNC3(C4CCC4)CCC3)CC2)cc1	839193112	PISUBWSVVQLFGM-HXUWFJFHSA-N	373.541	2.491	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc(-n2cncn2)c1	734426371	NCMMDDQBLCPRFW-UHFFFAOYSA-N	363.421	2.034	10	10	FECE	
O=C(N[C@@H]1CNCCC1(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1	842001570	GQQVMEBHCKLNLU-GOEBONIOSA-N	369.412	2.080	10	10	FECE	
COCC1(CS(=O)(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCC1	849417218	LZDHKMNVFVEOAL-OAHLLOKOSA-N	368.499	2.010	10	10	FECE	
C[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)c1ccc2c(c1)CCO2	929236865	DUMFPUWACXHNNH-CQSZACIVSA-N	367.449	2.181	10	10	FECE	
C[C@@H](CSCCF)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	850435469	OFCSWGWEJHZMPM-AWEZNQCLSA-N	360.520	2.102	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C)C[C@@H]3CCCC[C@@H]3O)C2)cc1	854300160	VOHHNPQMBGSFJD-BXWFABGCSA-N	361.486	2.466	10	10	FECE	
COC(=O)C[C@H]1CCCN1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	852455607	UXYDKFKVJSWKML-GOEBONIOSA-N	361.442	2.011	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N[C@H]4CCCC[C@@H]43)CC2)cc1	854198312	HXVROGHDCJZFPN-QRVBRYPASA-N	371.481	2.039	10	10	FECE	
C[C@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccncc1	864954209	MRFFBJKJKYDCCX-YJBOKZPZSA-N	366.465	2.203	10	10	FECE	
COC(=O)[C@H](C[C@H]1CCCOC1)NCc1cc(Cl)cc([N+](=O)[O-])c1O	862516662	WPENEWSLPCWHBQ-MFKMUULPSA-N	372.805	2.402	10	10	FECE	
COc1ccc(N2CCN(C(=O)/C=C/COC3CCOCC3)CC2)cc1	864471179	YNDIQARXBYVZNF-NSCUHMNNSA-N	360.454	2.096	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NCc1cn(C[C@H]2CCOC2)nn1	865604466	WRPKVZABOJVBTB-DLBZAZTESA-N	357.502	2.410	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)NCc2ccc(O)c(O)c2)C1	860243227	HEJGTAJLGWHFBX-SWLSCSKDSA-N	368.405	2.309	10	10	FECE	
CN1CCCN(c2ccc(NC(=O)Cc3ccc(O)c(O)c3)cc2)CC1	1141811341	AEQKAWJMNXPQBT-UHFFFAOYSA-N	355.438	2.421	10	10	FECE	
O=C1C[C@@H](C(F)(F)F)[C@@H](C(=O)NCc2c(O)ccc3ccccc23)CN1	1304090301	DBOKEFGSVFMXTA-UONOGXRCSA-N	366.339	2.476	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(O)cc2Cl)c1	1300697192	ZJWATBABLRGMPY-UHFFFAOYSA-N	356.787	2.375	10	10	FECE	
CCOc1ccc(N(CC(=O)N2CCC[C@H](NC(C)=O)C2)CC2CC2)cc1	1308001086	HIZDTUGZRPVWJF-SFHVURJKSA-N	373.497	2.429	10	10	FECE	
CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1Cc2cccc(O)c2C1	1331948926	FHYVRXXTTFBCAE-UHFFFAOYSA-N	354.406	2.292	10	10	FECE	
C[C@H](CCNC(=O)Cc1ccc(O)c(O)c1)N(C)C(=O)OC(C)(C)C	1293243378	CJVFIYJMTRFZKY-GFCCVEGCSA-N	352.431	2.402	10	10	FECE	
Cc1ccn2c(=O)c(C(=O)NCc3ccc4cccnc4c3O)cnc2c1	1299721336	HHNPBACOOGPXLB-UHFFFAOYSA-N	360.373	2.187	10	10	FECE	
CC(=O)Nc1ccccc1C(F)(F)C(=O)NCc1ccc(O)cc1O	1451769672	NIONKHGJYIMUII-UHFFFAOYSA-N	350.321	2.464	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cccc(O)c2O)COC1(C)C	2118177057	XQTPJJOLAQBSMF-LLVKDONJSA-N	366.414	2.200	10	10	FECE	
CCN1CC[C@@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	1464699380	WCHABIJERNPARP-MRXNPFEDSA-N	353.413	2.467	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1ccc2c(Br)cnn2c1	1472063518	LPXYJYJXGQQTAX-UHFFFAOYSA-N	362.183	2.438	10	10	FECE	
O=C(CSc1n[nH]c(O)n1)N(Cc1ccco1)Cc1ccccc1O	1545496781	ZRXSPAUUUVFYJJ-UHFFFAOYSA-N	360.395	2.130	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1	1635847184	JUSMBRNTGWRCDQ-UHFFFAOYSA-N	372.312	2.261	10	10	FECE	
C[C@@H](NC(=O)c1cc(=O)n(C)cc1Br)c1ccccc1O	1635799221	URYPYYRKCLYZKU-SECBINFHSA-N	351.200	2.344	10	10	FECE	
COc1ccc(NC(=O)C(=O)NCc2ccc3cccnc3c2O)cc1	1570533929	XDBCQBCKLHAJSI-UHFFFAOYSA-N	351.362	2.204	10	10	FECE	
COc1ccc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)s1	1772897366	RVRIQMNTJYTQPR-ZRDIBKRKSA-N	370.521	2.290	10	10	FECE	
CCN(C)c1ccc([C@H](C)NCCN2CCN(c3ncccn3)CC2)cc1	164229838	CJSNSXHKAIUTRF-SFHVURJKSA-N	368.529	2.406	10	10	FECE	
Cc1cc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)ccc1N(C)C	1139670330	KOMVOIHKWGVUIE-KRWDZBQOSA-N	363.502	2.475	10	10	FECE	
CN[C@H](c1ccccc1O)[C@H](O)[C@]1(C)COCCN1C(=O)OC(C)(C)C	2136532917	CKAXJAJRCIQHEJ-GJYPPUQNSA-N	366.458	2.040	10	10	FECE	
C[C@@H](CCOCc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1	390312049	GCFKHNKAXFFBND-YOEHRIQHSA-N	358.438	2.079	10	10	FECE	
CN1CCc2cc([C@H](CN)N3C[C@@H]4C[C@]4(NC(=O)OC(C)(C)C)C3)ccc21	2194828528	BHWFQFVUJDVPHN-MDKPJZGXSA-N	372.513	2.278	10	10	FECE	
COc1cccc(O)c1CN[C@H]1COCC[C@@H]1NC(=O)OC(C)(C)C	2042579101	JDACHVAYEWTHGM-KBPBESRZSA-N	352.431	2.173	10	10	FECE	
CC(C)(C)OC(=O)N1CCCCN1C[C@@H](O)COc1ccc(N)cc1	2044604290	DRQFAPNGUYMJTI-OAHLLOKOSA-N	351.447	2.256	10	10	FECE	
CC(C)(C)OC(=O)N1CCSC[C@@H](NC(=O)c2cccc(O)c2O)C1	2054410923	SBAARFXIDLDSMK-NSHDSACASA-N	368.455	2.180	10	10	FECE	
COc1ccc(N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C2)c([N+](=O)[O-])c1	2111819984	RFARRRNEQGHFPY-NWDGAFQWSA-N	367.402	2.068	10	10	FECE	
NCC1(CO)CCN(Cc2cc(Cl)cc(Br)c2O)CC1	2202914518	VVJULOXQKYBTEN-UHFFFAOYSA-N	363.683	2.341	10	10	FECE	
COc1ccc(Br)c(CN(C)[C@H](CN)C(F)(F)F)c1O	2236052318	FRRSSVAPTLMKGJ-SNVBAGLBSA-N	357.170	2.485	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1	2307990295	HKLPHKNLQKZJPP-UHFFFAOYSA-N	369.377	2.368	10	10	FECE	
CN(Cc1ccccc1O)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C1	2322540345	ZSAVTEIUYXAVFE-SFHVURJKSA-N	350.415	2.288	10	10	FECE	
CC(=O)N(C)c1ccc(N2CCOCC2)c2c1C(=O)c1ccccc1C2=O	4117233	OIIZEYIJGBGJTP-UHFFFAOYSA-N	364.401	2.281	10	10	FECE	
O=[N+]([O-])c1cnc2ccc(NCc3ccc(N4CCOCC4)cc3)nn12	301837173	MKTWRQXMULDZCC-UHFFFAOYSA-N	354.370	2.086	10	10	FECE	
COC(=O)CN(Cc1nsc(N(C)C)n1)Cc1cc(Cl)ccc1O	121233347	BMAZOGABMFJIJO-UHFFFAOYSA-N	370.862	2.138	10	10	FECE	
CC[C@@H](N[C@H](C)C(=O)NCCOC)c1cc(Br)ccc1O	228983479	IEQCZRPYMVXPIJ-ZWNOBZJWSA-N	359.264	2.347	10	10	FECE	
NC(=O)CC[C@H]1CCCN(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)C1	255899483	IHJROAPMVUWORN-OEPRFQHASA-N	371.481	2.041	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(S(C)(=O)=O)c(C)o2)c1	528858326	CCDDCMGLAGIMJQ-VIFPVBQESA-N	353.396	2.197	10	10	FECE	
CCOC(=O)C1(O)CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1	267364212	IUKZOJBUKGSLTL-UHFFFAOYSA-N	355.818	2.138	10	10	FECE	
COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(O)c(OC)c1	280543478	IIIKXIZHEJJPHR-UHFFFAOYSA-N	355.368	2.198	10	10	FECE	
COCc1ccc(COC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1	815196576	KBRUUJBPGDKURP-UHFFFAOYSA-N	365.407	2.267	10	10	FECE	
CC(C)OC(=O)CCCNC(=O)/C=C\c1ccc(N2CCOCC2)cc1	588469219	ZHAMJUPFXBNKFE-YFHOEESVSA-N	360.454	2.384	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)N1CC[C@H](F)C1	838534398	SBVVRXXFFIRCKW-SFHVURJKSA-N	360.477	2.472	10	10	FECE	
Cc1cc(C(=O)N2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c(C)n1-c1ccccn1	834336023	AJNXSJDWLQKJPX-LMMKCTJWSA-N	369.465	2.491	10	10	FECE	
O=C(NCC[C@@]1(O)CCOC1)N(Cc1ccco1)Cc1ccccc1O	845449547	AILIKACZSGQDOV-LJQANCHMSA-N	360.410	2.239	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)N3CCN4C[C@H](O)C[C@H]4C3)c2C)c1	848307712	KBGDSYPSVHUSJR-RBUKOAKNSA-N	353.466	2.294	10	10	FECE	
COC[C@@](C)(O)CCNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	840381954	MEEOABMZYYMFBY-BEFAXECRSA-N	351.491	2.079	10	10	FECE	
C[C@@H](NC[C@H](O)c1ccnn1C)c1ccc(N2CCOCC2)cc1Cl	927135654	ZWTSYJRITOAZPF-ACJLOTCBSA-N	364.877	2.294	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCN(C)C[C@@H]3C(C)C)C2)cc1	854300674	XYQMDCFCTQOVLN-VQIMIIECSA-N	360.502	2.256	10	10	FECE	
COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1	753520105	DUVHGXGKTUBYDL-UHFFFAOYSA-N	366.351	2.196	10	10	FECE	
Cc1cnc(CNC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(C)c1	924006840	LKZSAKKPYZULPY-UHFFFAOYSA-N	367.497	2.450	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@H]1CCc2cc(N)ccc21)c1ccc(N(C)C)cc1	851687199	ZMNDFDMCFCVGPO-DJJJIMSYSA-N	366.465	2.316	10	10	FECE	
C[C@@H](NS(=O)(=O)CCOC(C)(C)C)c1ccc(N2CCOCC2)cc1	866606259	TYOLDTGOINBXSR-OAHLLOKOSA-N	370.515	2.319	10	10	FECE	
COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1cc2c(cc1O)CCCC2	768461898	HFLLUQINEXXSOD-RWQQGDIJSA-N	373.449	2.196	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1	1117435724	VDEWYELZGZAOBG-RBUKOAKNSA-N	351.450	2.383	10	10	FECE	
CC(C)(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cnc[nH]1	788288341	OSPVGQSVACXLLH-UHFFFAOYSA-N	360.433	2.104	10	10	FECE	
O=C1N(CCNCc2ccc(N3CCC(O)CC3)cc2)C[C@@H]2CCCCN12	895342974	ITCRNGKMKFGTBW-IBGZPJMESA-N	372.513	2.027	10	10	FECE	
COC(=O)c1c(CN2CCCn3nncc3C2)c2cc(F)ccc2n1C	895757315	RZWLMLIZMYQOIZ-UHFFFAOYSA-N	357.389	2.101	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@]12CCC(=O)N1CCS2	1135800902	UYCWZDDJPYAFDL-LJQANCHMSA-N	359.495	2.311	10	10	FECE	
CCn1nccc1CN(CCO)Cc1cccc(Br)c1O	793306464	ZNJDHUFKJKPUDJ-UHFFFAOYSA-N	354.248	2.366	10	10	FECE	
COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(N=NC(N)=O)cc1	1144281552	UBUYEDWNBSLIKJ-HNNXBMFYSA-N	354.366	2.363	10	10	FECE	
C[C@@H](NC(=O)C(=O)NC[C@]12C[C@H]1COC21CCC1)c1ccc(N(C)C)cc1	1332947847	GFWMODLYIQLEQX-PTSWNOGYSA-N	371.481	2.005	10	10	FECE	
O=C(c1cc(O)cs1)N1C[C@@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1	1351115231	BJIAHRKNODFZQL-QPUJVOFHSA-N	369.386	2.035	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)[C@@H]3C[C@@H]3[C@@H]3C[C@H]3C)CC2)cc1	1442474942	RLONYSGPXGASKC-HUYLIWGRSA-N	357.498	2.226	10	10	FECE	
COc1ccc(CNC(=O)c2ccc(Br)nc2O)c(O)c1	1626080178	ZONXYIWXBXTOPX-UHFFFAOYSA-N	353.172	2.194	10	10	FECE	
Cc1cnn(Cc2cc(C(=O)NCc3ccc4cccnc4c3O)no2)c1	1630532513	MLFBOBJKXHZFGB-UHFFFAOYSA-N	363.377	2.412	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)c2cc3c(N(C)C)ncnc3n2C)c1	1636061843	YVJAUABFPJRRIM-NSHDSACASA-N	369.425	2.240	10	10	FECE	
COc1ccc(N2CCN(C(=O)C[C@H]3CCCC[C@@H]3O)CC2)cc1F	1566346848	OOTMHGAIPXIYCW-PBHICJAKSA-N	350.434	2.424	10	10	FECE	
CCOC(=O)[C@H](F)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1	1570809496	WWZGNGIGMUSJCX-WCQYABFASA-N	350.350	2.212	10	10	FECE	
Cc1nc(I)c(N)c(OCCc2ccc(N)cc2)n1	2128254473	AFAJURDBEIKZIX-UHFFFAOYSA-N	370.194	2.176	10	10	FECE	
COc1cccc2c1C(=O)c1c(O)cc3c(c1C2=O)C(=O)C[C@](C)(O)C3	14764887	LQIPGPPZCXJWKY-HXUWFJFHSA-N	352.342	2.056	10	10	FECE	biogenic,in-vitro
COc1cccc(CN=c2nc([C@@H](C)NC(=O)OC(C)(C)C)[nH][nH]2)c1O	2130119782	VHSBAROUENQUFS-SNVBAGLBSA-N	363.418	2.139	10	10	FECE	
Cc1cccc(CNC(=O)[C@H]2C[C@H](O)CCN2C(=O)OC(C)(C)C)c1O	2139761496	HWDLFKXBADQTST-HUUCEWRRSA-N	364.442	2.077	10	10	FECE	
O=S1(=O)C[C@H]2C[C@@H](CN(Cc3ccc(Br)cc3O)C2)C1	1972377244	QDWCZYRQVUUAJI-QWRGUYRKSA-N	360.273	2.021	10	10	FECE	
CS(=O)(=O)C[C@H]1CCCCN1c1ccc(CN)cc1Br	2151274050	JXACNKGNZNEIHA-GFCCVEGCSA-N	361.305	2.311	10	10	FECE	
CCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C)C1=O	2053496749	JMGVLDZUKHCLQS-UHFFFAOYSA-N	360.464	2.347	10	10	FECE	
CC(C)(C)OC(=O)N1CC([C@@H](F)CNC(=O)c2cccc(O)c2O)C1	2054397953	ORHTWRDFRRGCLM-LBPRGKRZSA-N	354.378	2.033	10	10	FECE	
CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1ccc(O)c(O)c1	2054413549	NJJFWEDBLRYWHN-GFCCVEGCSA-N	350.415	2.427	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(O)c(O)c2O)[C@@H]2C[C@H]21	2057598270	XQYQQKKGNUIEBQ-RWMBFGLXSA-N	350.415	2.291	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCC(N=[N+]=[N-])CC2)C1	2060632502	BSLRJLVHXCTYMO-INIZCTEOSA-N	353.423	2.050	10	10	FECE	
CO[C@H](CCNC(=O)OC(C)(C)C)C(=O)NCc1cccc(C)c1O	2084058218	DPGPCXISDOBHHD-CQSZACIVSA-N	352.431	2.247	10	10	FECE	
CN[C@H](CN(C)CCNC(=O)OC(C)(C)C)c1ccc2c(c1)CCN2C	2106860111	QMSPHBQBKKPDTK-QGZVFWFLSA-N	362.518	2.396	10	10	FECE	
COc1ccc(C=C2SC(=S)N(CCN(C)C)C2=O)cc1OC	2323839061	DTACGZIJHWTYRK-UHFFFAOYSA-N	352.481	2.467	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2CNC(=O)COc1ccc(N)cc1	2333093012	RETBBCDWTJZONQ-RCBQFDQVSA-N	361.442	2.019	10	10	FECE	
OCCOCCN1CCN(c2ccc(OCc3ccccc3)cc2)CC1	2336069747	VPGKUCSGRONXKT-UHFFFAOYSA-N	356.466	2.397	10	10	FECE	
COC(=O)NC[C@H](c1cccnc1)N1CCN(c2ccc(OC)cc2)CC1	56896178	VRYPMGUDILFCGY-LJQANCHMSA-N	370.453	2.310	10	10	FECE	
O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H](Cn3cncn3)C2)c1O	128569684	AVBIRKWPRGUFRI-LLVKDONJSA-N	351.794	2.458	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1c[nH]nc1C1CC1	184422859	ZMGULXWXPVSJQB-UHFFFAOYSA-N	354.454	2.426	10	10	FECE	
Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nn1C1CCOCC1	528995589	IAUGFNGNSIFTTJ-GFCCVEGCSA-N	359.426	2.315	10	10	FECE	
COc1ccc(N2CCN(C(=O)CCC(=O)c3ccccn3)CC2)cc1	274439512	GJFQSVQBFWOFBC-UHFFFAOYSA-N	353.422	2.402	10	10	FECE	
COC1CCN(c2ccc(CN3CCC[C@H]3c3nc(N)n(C)n3)cc2)CC1	295152367	GCPUHUDXRYLHPV-SFHVURJKSA-N	370.501	2.350	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)CO[C@@H](C)c3nccn3C)C2)cc1	819589069	CCDIWDIZCFFZCP-HOTGVXAUSA-N	372.469	2.149	10	10	FECE	
CN(C)c1ccc(/C=C/CNCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1	835042179	HBCFSWYTRBWARH-RLZBHVGTSA-N	365.477	2.163	10	10	FECE	
Cc1cc(CCNC(=O)N2CCn3nncc3C2)c(C)n1-c1ccccc1	847278731	FJQYPVFEKCBESG-UHFFFAOYSA-N	364.453	2.454	10	10	FECE	
COC[C@@H](CCO)NC(=O)NCCc1cc(C)n(-c2ccccc2)c1C	740467443	OJTCVOXLSHDZHG-GOSISDBHSA-N	359.470	2.333	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CC[C@@H](C2CC2)N1	846672379	GJRCWWHHFUKOPY-VQTJNVASSA-N	357.498	2.042	10	10	FECE	
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	855329778	ALDICQJLHVLZGH-CHULQOHASA-N	373.327	2.311	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc(-c4cn[nH]c4)cn3)C2)cc1	869228473	JMGBQPUJYCZQJO-INIZCTEOSA-N	363.421	2.489	10	10	FECE	
CCOC(=O)[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCC1(F)F	870920527	XRMWYMJEMHLSQB-FUEXJSSKSA-N	355.337	2.158	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@H](C(=O)N3CCCC3)C2)c1O	774888545	QSCGWXWUHICVHL-AWEZNQCLSA-N	363.414	2.143	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H](C)n3cccc3)cc2)CC1	786659431	KRDHSXIXJSABHT-QGZVFWFLSA-N	368.481	2.424	10	10	FECE	
CN(C)c1ccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)cc1	788479456	ASGUCWFTDKPJRN-UHFFFAOYSA-N	361.467	2.390	10	10	FECE	
COC(=O)c1c(CN[C@H]2CCC[C@H](C(N)=O)C2)c2cc(F)ccc2n1C	894287398	GGSWQMOCYIPHCU-AAEUAGOBSA-N	361.417	2.238	10	10	FECE	
O=C(NCCOc1ncccc1C(F)(F)F)c1c(F)ccc(O)c1O	1306771752	ARSYAJODHWTBAA-UHFFFAOYSA-N	360.263	2.460	10	10	FECE	
CCCCOc1ccc(C(=O)NCC(=O)NCc2cccc(O)c2O)cc1	1176556094	MEHPTFOTSZAZGD-UHFFFAOYSA-N	372.421	2.323	10	10	FECE	
Cc1ccccc1C(F)(F)CNC(=O)C(=O)NCCc1ccc(N)cc1	1333542728	MKHRAIHYUJHREC-UHFFFAOYSA-N	361.392	2.144	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(-c2ccc[nH]2)n1Cc1cnn(C)c1	1503487989	PWAWFJMGMHODDJ-UHFFFAOYSA-N	363.425	2.397	10	10	FECE	
CN(CCC1CN(C(=O)OC(C)(C)C)C1)CC(=O)Nc1ccc(N)cc1	2120421079	BANGMURMKBAQOF-UHFFFAOYSA-N	362.474	2.396	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)CN(C)[C@@H]3CCC[C@H]3O)cc2)CC1	1543146156	NGCDNKOUFWBSHI-WOJBJXKFSA-N	359.514	2.384	10	10	FECE	
Cc1cccc(N2N=C(C(=O)NCc3c(O)cccc3O)CCC2=O)c1	1645361074	VZQWAHKEUDOJHP-UHFFFAOYSA-N	353.378	2.205	10	10	FECE	
COc1nsc(C(=O)NCc2c(O)cccc2O)c1Br	1647290207	PFSJZWSWNPHMAI-UHFFFAOYSA-N	359.201	2.255	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1nc(C2CC2)n(-c2ccccc2)n1	1644752781	UTVAMOQMWMOXFW-UHFFFAOYSA-N	350.378	2.486	10	10	FECE	
COC(=O)[C@@H](C)N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S	6098163	LSNZFUJBLJCVRO-XAPLUZPNSA-N	352.393	2.358	10	10	FECE	
O=C(CCc1cc2ccccc2[nH]c1=O)NCCc1ccc(O)c(O)c1	157876555	AQISANUQIRKKGC-UHFFFAOYSA-N	352.390	2.231	10	10	FECE	
C[C@@H](c1cc(O)ccc1O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O	2136357301	JHYKRKAWMSAZIA-FZMZJTMJSA-N	366.414	2.165	10	10	FECE	
CN(C)c1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)O)cc1	2136358777	YPYAWTGGMQDGEL-MRXNPFEDSA-N	363.458	2.259	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H](NCc3ccc(O)c(O)c3)CO2)C1	2137110266	GSXFMCQFBWRAFJ-AUUYWEPGSA-N	364.442	2.356	10	10	FECE	
C[C@@H]1CN(Cc2ccccc2)CCN(C[C@H](O)COc2ccc(N)cc2)C1	323305292	CYSGYFYRMRKNSV-NQIIRXRSSA-N	369.509	2.462	10	10	FECE	
CN(Cc1ccccc1O)C(=O)c1cnc(CNC(=O)OC(C)(C)C)n1C	2180841663	APMRFDFRRPOEKY-UHFFFAOYSA-N	374.441	2.423	10	10	FECE	
C[C@@H]1COC[C@@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)N1C(=O)OC(C)(C)C	2060618967	GOQXSKJPAKZSGQ-UPJWGTAASA-N	353.423	2.170	10	10	FECE	
C[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	2069832398	RUMZKZSPCUEFIX-QMTHXVAHSA-N	356.394	2.008	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)N1CCC(N=[N+]=[N-])CC1)[C@@H]1CCOC1	2259903299	UUGWDBCHRVDYLI-CYBMUJFWSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H](CCC(=O)NCc2ccccc2O)C1	2277761330	NBGXPKPHFYJVNG-HNNXBMFYSA-N	364.442	2.425	10	10	FECE	
CN(C)c1ccc([C@H](N)c2cc(I)nn2C)cc1	2314110353	MOGJZHVQUBGMOJ-ZDUSSCGKSA-N	356.211	2.139	10	10	FECE	
O=C1NCCN(c2ccc(OCc3ccccc3)cc2)[C@@]12CCCNC2	2336053297	INIDOJXSTUVVCV-OAQYLSRUSA-N	351.450	2.324	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCCC[C@@H]2[C@H]2CNC(=O)C2)c([N+](=O)[O-])c1	301874943	GKOKIUNALNFEMO-OCESRQBRSA-N	373.409	2.276	10	10	FECE	
Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C\N(C)C)C2=O)cc1C	33552312	NVGHTKGQROUUJH-JXMROGBWSA-N	366.215	2.094	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@H]1C(=O)OC	75417054	GZXYQKBWMZTMRJ-VXGBXAGGSA-N	356.216	2.312	10	10	FECE	
CC(C)[C@H](CN[C@H](C)c1ccc(N2CCOCC2)cc1)N1CCN(C)CC1	132388763	SDLBVSWXUROWKK-KNQAVFIVSA-N	374.573	2.446	10	10	FECE	
COc1ccc(O)c([C@@H]2[C@@H]3C(=O)N=C(O)[C@H]3ON2Cc2ccccc2)c1	43254162	RWUYQSUGLGJIAA-BBWFWOEESA-N	354.362	2.371	10	10	FECE	
CCc1ccc(S(=O)(=O)N2CCN(c3ccc4c(c3)OCO4)CC2)cc1	144143903	PUKCOFCCFTVALQ-UHFFFAOYSA-N	374.462	2.489	10	10	FECE	
CC[C@@H]1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1	366496031	UVUFXLMKHSISHV-SJKOYZFVSA-N	352.387	2.386	10	10	FECE	
CCn1nccc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O	805135995	YLALPUBEGUAWRG-UHFFFAOYSA-N	350.227	2.394	10	10	FECE	
CC[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1nccs1	807257642	QNXYOAYPVGRFHV-OAHLLOKOSA-N	360.483	2.435	10	10	FECE	
CN(Cc1ccccc1)[C@H](CNC(=O)c1cc(O)c(O)c(O)c1)C1CC1	2132351179	UYOJIQRVZYTALK-MRXNPFEDSA-N	356.422	2.444	10	10	FECE	
C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@@H]1CCN(Cc2ccccc2)C1	2132349052	XRDHYYMMNFEUEF-DZGCQCFKSA-N	356.422	2.444	10	10	FECE	
CN1CCCc2cc(CNC[C@@H](O)COc3ccc4c(c3)OCO4)ccc21	727644473	GDEACBAPTOMLOD-QGZVFWFLSA-N	370.449	2.327	10	10	FECE	
C[C@H](C(=O)N(C)Cc1ccccc1O)[C@@H](O)CN(C)C(=O)OC(C)(C)C	901054308	WDGDDZPGBYTAIR-BBRMVZONSA-N	366.458	2.215	10	10	FECE	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCC[C@](O)(CO)C3)c2C)cc1	839149412	RVHJVIRIXPFBAV-OAQYLSRUSA-N	356.466	2.404	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2C[C@@H](C)OC2=O)C1	839779061	QSCFVWXYTMZBQF-RHSMWYFYSA-N	369.465	2.228	10	10	FECE	
O=C(CC1CCC(C(=O)O)CC1)NCc1ccc(N2CCOCC2)cc1	911207795	FUBCJMMUHGRZDY-UHFFFAOYSA-N	360.454	2.421	10	10	FECE	
C[C@@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccnc1	746147506	PJAHCOYBHQTTKG-CRAIPNDOSA-N	366.465	2.203	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)NC3CC(CC(N)=O)C3)cc2)CC1	917521877	CRSZEXHIUZPGAP-UHFFFAOYSA-N	358.486	2.376	10	10	FECE	
Cc1cc(CCNC(=O)[C@@H](C)CS(C)(=O)=O)c(C)n1-c1ccccc1	746824265	DBVKKMAWSQTZEO-AWEZNQCLSA-N	362.495	2.434	10	10	FECE	
CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NCc2c(O)cccc2F)s1	921452589	SVZJSZJECFGCKK-VIFPVBQESA-N	372.443	2.268	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccc(F)cc3)C2)cc1	852451193	FURJEPMKWRKOBE-LPHOPBHVSA-N	373.428	2.446	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](c4nccn4C)C3)C2)cc1	852455232	SXUYVUSCSZBWCM-CVEARBPZSA-N	369.469	2.207	10	10	FECE	
Cc1csc2nc(CC(=O)NCc3ccc(N4CCOCC4)cc3)cn12	864984446	SAPJRSJBMBLBEF-UHFFFAOYSA-N	370.478	2.400	10	10	FECE	
COC(=O)[C@@H]1CSCCN(Cc2c(O)cccc2Br)C1	862394935	TZQURXGQVPWHEC-JTQLQIEISA-N	360.273	2.493	10	10	FECE	
O=C(CCc1cn[nH]c1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	863901342	IIADBAZDMXCGKU-UHFFFAOYSA-N	367.497	2.191	10	10	FECE	
C[C@H](NC(=O)NCc1cc(Br)ccc1O)c1ccnn1C	869183207	JVOSOIBMSNERNL-VIFPVBQESA-N	353.220	2.449	10	10	FECE	
COCc1nc([C@@H]2COCCN2Cc2cc(Cl)cc(F)c2O)no1	779616315	PRIYGJAFVNZBJO-LBPRGKRZSA-N	357.769	2.288	10	10	FECE	
CN(CCCC(=O)OCC(=O)c1ccc(O)c(O)c1)C(=O)OC(C)(C)C	783249222	LDSJIVPTOUUPNS-UHFFFAOYSA-N	367.398	2.471	10	10	FECE	
COC(=O)c1c(CN2C[C@H]3CN(C(C)=O)C[C@H]3C2)c2cc(F)ccc2n1C	895575145	FOLDUHBVPKTCHQ-OKILXGFUSA-N	373.428	2.014	10	10	FECE	
CO[C@H]1C[C@@](CO)(NCc2cc(Cl)cc(Br)c2O)C1	1899825887	XMVHLDJLJYIGMP-GSJFWJNXSA-N	350.640	2.438	10	10	FECE	
CN(C)c1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1F	1174904734	OKFPKQXARNDWNL-UHFFFAOYSA-N	367.402	2.221	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@H](O)[C@@H]3CCCN3C(=O)OC(C)(C)C)ccc21	1892266865	NYTULLNDCJGEHU-RCCFBDPRSA-N	361.486	2.439	10	10	FECE	
CN1CCCc2cc(CNC(=O)C(=O)NCC3CCC(F)CC3)ccc21	1261466316	IVHHRBBAKGLHGV-UHFFFAOYSA-N	361.461	2.330	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)N2C[C@H](CO)[C@@H](CCO)C2)c1C	1348198240	GVEVWTJQEKMIHU-ZWKOTPCHSA-N	356.466	2.465	10	10	FECE	
C[C@H](CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)CC(F)F	1345869184	UXCVPDPXVDGMPO-ZDUSSCGKSA-N	351.397	2.087	10	10	FECE	
Cn1ccnc1C1(O)CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1	1349120128	PYHFYFSRDTVGTN-UHFFFAOYSA-N	373.434	2.170	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)NC[C@]23COCCN2C(=O)OC3)cc1	1438627083	AMBAHZIZWMVRKJ-HXUWFJFHSA-N	369.421	2.045	10	10	FECE	
CCN(CC)c1ccc(Cn2c(C)nnc2N2CCN(C)C(=O)[C@H]2C)cc1	1295410097	IEMXFVYRBJPZDA-OAHLLOKOSA-N	370.501	2.148	10	10	FECE	
Cc1nc(O)nc(S)c1C(=O)NCc1cccc(Br)c1O	1297441343	UISQQNRSIHQKJW-UHFFFAOYSA-N	370.228	2.177	10	10	FECE	
O=C(CCC1CCCC1)N1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1	1629737582	GOGDYFCDUJSVDQ-UHFFFAOYSA-N	360.454	2.282	10	10	FECE	
Cc1cc(=O)c(C(=O)NCc2cccc(O)c2O)nn1-c1ccccc1F	1633508762	QQNXVOMYSWWATA-UHFFFAOYSA-N	369.352	2.021	10	10	FECE	
O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NCc1c(O)cccc1F	1635360987	VQHJKZCIFHRNOO-UHFFFAOYSA-N	373.352	2.387	10	10	FECE	
C[C@@H](NC(=O)c1n[nH]cc1I)c1ccccc1O	1643738818	RXEWZBORZFLMNZ-SSDOTTSWSA-N	357.151	2.211	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)NCCc1ccc(O)c(O)c1	1622753321	QTFGDPNCOZLAGF-AWEZNQCLSA-N	364.442	2.450	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H]3CCCSC3)CC2)c(OC)c1	1673112064	NDXMNNCWFQOXAG-AWEZNQCLSA-N	365.499	2.431	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1	2126923441	ZOTRWXCACIMQII-YJYMSZOUSA-N	364.442	2.284	10	10	FECE	
COc1ccc(N2CCO[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)c(N)c1	2129067878	NFKWGNXPGJAEBW-DLBZAZTESA-N	363.458	2.492	10	10	FECE	
CN1C(=O)CNC[C@@H]1c1cc(Br)cc(Br)c1O	1952075996	UOFIMEMXQXOQOC-SECBINFHSA-N	364.037	2.020	10	10	FECE	
C[C@H](NCCN1CCN(C(=O)OC(C)(C)C)CC1)c1cc(O)ccc1O	311313216	XEEFNRJCCSGNKO-AWEZNQCLSA-N	365.474	2.301	10	10	FECE	
CC(C)(C)OC(=O)N1[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)CC[C@@H]1C1CC1	2049784885	SBJOWTDVQWMYCP-NMFUWQPSSA-N	350.459	2.430	10	10	FECE	
COCCN(CCNC(=O)Nc1ccc(N)cc1)C(=O)OC(C)(C)C	2044245018	CQFALLWPENEZQS-UHFFFAOYSA-N	352.435	2.274	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNCc2cc(F)ccc2O)C[C@H]1O	2052655383	CBLRYPFUCCMWBE-SGIREYDYSA-N	354.422	2.285	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2218746536	QKXSWVBCGWSQIP-JBBSTSQOSA-N	353.423	2.264	10	10	FECE	
COc1ccc(N2C(=O)NC(=O)C(=CNc3cccc(F)c3)C2=O)cc1	2297317907	HSMUQOIXLFNNCQ-UHFFFAOYSA-N	355.325	2.413	10	10	FECE	
CCCOc1ccc(C=CC(=O)NCCN2C(=O)CSC2=S)cc1	2320752724	VYSIWPNCERRRBL-UHFFFAOYSA-N	364.492	2.465	10	10	FECE	
CCOc1cccc(C=C2SC(=S)N(CCC(=O)O)C2=O)c1O	2323792137	SVZMRFRSJOKFLY-UHFFFAOYSA-N	353.421	2.467	10	10	FECE	
CC(C)(C)OC(=O)N(CCO)CCC(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2319869927	HUHJEQOYZFSTIM-ZDUSSCGKSA-N	355.439	2.155	10	10	FECE	
CN(C(=O)c1ccc(O)c(O)c1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F	2320525264	KGDZIASNXQZKGX-VXGBXAGGSA-N	354.378	2.127	10	10	FECE	
CCCC(=O)N[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	102010411	YDNKWBVSOOFGPF-OAHLLOKOSA-N	364.465	2.482	10	10	FECE	
C[C@H]1CN(Cc2ccccc2)CCN1c1cc2c(cc1N)OCC(=O)N2	382703232	NZFJOCZATAYKGQ-AWEZNQCLSA-N	352.438	2.310	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3CN(C(C)C)C[C@H]3C)CC2)cc1	247524345	ZILZBCOEVUNBSI-VQIMIIECSA-N	360.502	2.256	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(-c2nc(CCC(F)(F)F)no2)c1	273886379	VKNIHHWTSHLCAK-UHFFFAOYSA-N	351.306	2.309	10	10	FECE	
COc1ccc(O)c(CN[C@H]2CCN(C(=O)COc3ccccc3)C2)c1	282927084	FPGOHXKLACRESW-INIZCTEOSA-N	356.422	2.170	10	10	FECE	
CN[C@H](CC(=O)NCc1ccc(C)c(Br)c1O)C(F)F	2381127691	ZTUKAHFIJMDIAA-SECBINFHSA-N	351.191	2.323	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H](O)C2CC2)C1	569329479	FGTFMUWWQOJXPN-FQEVSTJZSA-N	355.482	2.295	10	10	FECE	
NC(=O)[C@H]1CCC[C@@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C1	817929272	LUSYQIPMHHSAFZ-GXTWGEPZSA-N	358.467	2.090	10	10	FECE	
CNC(=O)[C@H]1CCN(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)C1	817771096	AAYJFQAGDFLICZ-SFHVURJKSA-N	368.481	2.414	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)NCc2ccc(N(C)C)cc2C)c1	734405653	VSLVXSNOVDQGKR-VMPITWQZSA-N	352.438	2.145	10	10	FECE	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1[C@H]2COC[C@H]21	830544624	SAABHVDTGMFKHZ-LJIGWXMPSA-N	350.846	2.019	10	10	FECE	
C[C@H](NC(=O)NCCc1ccc(N)cc1)c1ncc(Br)cn1	841906966	KDFFNSGXMIPPKQ-JTQLQIEISA-N	364.247	2.424	10	10	FECE	
CCN(Cc1cn(C)nn1)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	840482433	XDQYTBJLORUYIQ-OAHLLOKOSA-N	358.490	2.352	10	10	FECE	
C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCCc2cc(CN)ccc21	843349645	HMJMLABSGMNAFJ-RHSMWYFYSA-N	358.486	2.302	10	10	FECE	
C[C@@H]1CNCC[C@@H]1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	842266107	PIBCKDJRNNIFPB-QAPCUYQASA-N	373.497	2.168	10	10	FECE	
COC(=O)/C(C)=C\CNC(=O)NCc1cccc(Br)c1O	925019712	RQIUZQDDNHYQGG-TWGQIWQCSA-N	357.204	2.073	10	10	FECE	
CC(C)n1ncc2cc(/C=C/C(=O)N3C[C@H](C)Cn4nccc43)c(=O)[nH]c21	922202591	QKRGLEMELNYJAR-IHVVCDCBSA-N	366.425	2.198	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccnc1C(=O)O	850788106	LYIZBZFNKBWYFJ-UHFFFAOYSA-N	371.393	2.253	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N2CCCc3ccc(OC)cc32)c1	856076841	JGMRBXVBZPCWJT-YVMONPNESA-N	351.406	2.442	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cccc([S@](C)=O)c3)C2)cc1	855223675	CGERDAGJVKTMHS-BZQUYTCOSA-N	358.463	2.441	10	10	FECE	
Cc1cc(O)c(CNC[C@@]2(CO)COCCN2Cc2ccccc2)cc1C	850395798	LPIGXPSOJBTDMH-JOCHJYFZSA-N	370.493	2.362	10	10	FECE	
COc1ccc(O)c(CNC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)c1	759997399	DYFGWWUDZAAFJQ-UHFFFAOYSA-N	364.423	2.434	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cnn(C)c3C(F)(F)F)C2)cc1	855231220	INALLMBXADPYQR-LLVKDONJSA-N	368.359	2.456	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3cc(F)ccc3C)C2)cc1	850535972	FZBVUVJEOLPQBL-OAHLLOKOSA-N	371.412	2.476	10	10	FECE	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC(C(C)=O)CC2)c1	872798983	VNHQLEJHEUYTNF-UHFFFAOYSA-N	374.481	2.228	10	10	FECE	
CCc1nc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)no1	775377914	PDUHRXCUPYMUKW-VXGBXAGGSA-N	362.405	2.315	10	10	FECE	
COc1cccc(CNC(=O)Nc2cn(Cc3ccccc3)nn2)c1O	789816776	GCHNEGKIQONISX-UHFFFAOYSA-N	353.382	2.362	10	10	FECE	
CCc1nc(CNC(=O)C(=O)NCc2ccc(N(CC)CC)cc2)cs1	788975470	PBAHRULMPLVPHV-UHFFFAOYSA-N	374.510	2.484	10	10	FECE	
Cc1nc2c(s1)[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)CCC2	785425146	WYWADKCDMQYGKB-MRXNPFEDSA-N	372.494	2.328	10	10	FECE	
CNC(=O)C1(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)CCOCC1	895120044	KYHZFJMDTVPICU-UHFFFAOYSA-N	369.465	2.048	10	10	FECE	
CS(=O)(=O)[C@@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1	897671213	VPRQPEJYKNFWBI-LLVKDONJSA-N	369.464	2.352	10	10	FECE	
CNC(=O)C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1	794907072	KTZJOMXGJMUPTM-SFHVURJKSA-N	354.454	2.429	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@](CO)(Cc2ccccc2)C1	1141540984	DAGYPIJMBQQCHO-OAQYLSRUSA-N	355.434	2.484	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@@H]1Cc2cc(Br)ccc2O1	1153886166	YXLSJUARAWFBJB-HNNXBMFYSA-N	364.195	2.480	10	10	FECE	
COCCn1c(-c2sccc2O)nnc1N(C)C[C@@H]1CCCCO1	1343260983	CGLVZWHAIWLXSK-LBPRGKRZSA-N	352.460	2.364	10	10	FECE	
Cc1ccc(C(=O)N[C@@H](C(=O)NCc2cc(O)ccc2O)C(C)C)cc1	1303223118	AUFDKMKZFJFSHJ-GOSISDBHSA-N	356.422	2.477	10	10	FECE	
C[C@@H](NC(=O)C(=O)NC1CC2(COC(C)(C)C2)C1)c1ccc(N(C)C)cc1	1334163106	XNUXRASJSUOEOU-HXJYWVFZSA-N	373.497	2.394	10	10	FECE	
COC12CCC(C(=O)NCc3ccc(N4CCOCC4)cc3)(CC1)C(=O)C2	1346217576	CQULWPIRGDSQFY-UHFFFAOYSA-N	372.465	2.058	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CCC2)n1C[C@@H]1CC[C@H](CO)O1	1503487164	HUIGXZOPAKUQJA-DLBZAZTESA-N	372.469	2.428	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)c2nc(OC)cc(OC)n2)cc1F	1443753820	FMADQOBUYRVTSA-UHFFFAOYSA-N	362.405	2.409	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)cc1F	1294824579	NGJCEIWEKHRKPB-UHFFFAOYSA-N	360.385	2.137	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(Cc2ccncc2)n1CC1(O)CC1	1554175730	UXRDCPLQSIIWLP-UHFFFAOYSA-N	365.437	2.131	10	10	FECE	
CCc1nnc(N2CC=CCC2)n1Cc1ccc(N2CCOCC2)cc1	1744601841	ZYIINLZFTMJAGD-UHFFFAOYSA-N	353.470	2.492	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](C(=O)N1CC[C@@H](CN=[N+]=[N-])C1)[C@@H]1CCOC1	2124506661	ZRPCCQFNRGRQOM-MJBXVCDLSA-N	367.450	2.323	10	10	FECE	
CCN1C[C@H](C)N(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C[C@@H]1C	1687023250	POHOYHKTNVZSRW-ULQDDVLXSA-N	360.502	2.398	10	10	FECE	
COC(=O)C1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)CC1	1866177498	DGRXSLDBSDUZHP-GOSISDBHSA-N	373.497	2.349	10	10	FECE	
Nc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)cc2O)cc1	1866269882	GZWRLAMONKFTIG-UHFFFAOYSA-N	356.769	2.426	10	10	FECE	
CN1CCc2cc(CN=c3[nH]nc(CNC(=O)OC(C)(C)C)o3)ccc21	2138812016	FRMMQEAWDDSULT-UHFFFAOYSA-N	359.430	2.121	10	10	FECE	
COC(C)(C)[C@@H](N)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	1952207761	FWAUFKQQIJZFEM-WFASDCNBSA-N	354.447	2.286	10	10	FECE	
CO[C@]1(C(=O)O)CCN(Cc2cc(Cl)cc(Br)c2O)C1	708114921	QIFUTWVWCGCBFL-CYBMUJFWSA-N	364.623	2.484	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N(C)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21	2163028188	BAEQNXNLEMPFBT-KKBVYLPWSA-N	374.485	2.393	10	10	FECE	
CCS(=O)(=O)C[C@H](C)N(C)c1ccc(CN)c(Br)c1F	2170565848	GFABBEZEOWUDDO-VIFPVBQESA-N	367.284	2.306	10	10	FECE	
O=C(N[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)c1cc(O)c(O)c(O)c1	2188867604	DDRLJHVGVUPNHW-BHYGNILZSA-N	368.433	2.444	10	10	FECE	
COCC1(NCc2cccc(OC)c2O)CN(C(=O)OC(C)(C)C)C1	2070570366	BCUSNBCJZCHCQC-UHFFFAOYSA-N	352.431	2.126	10	10	FECE	
C[C@H](NC[C@H]1CN(C)CCN1C(=O)OC(C)(C)C)c1ccc(O)cc1O	2098262359	DLFTXSDCYHAEEU-KBPBESRZSA-N	365.474	2.300	10	10	FECE	
CC(C)S(=O)(=O)C[C@H](C)NCc1ccc(Br)cc1O	2114186735	RQDLXSOZAYWVGJ-JTQLQIEISA-N	350.278	2.456	10	10	FECE	
C[C@@H](CNC(=O)C=Cc1ccc(N2CCOCC2)cc1)CN1CCCC1	2297505777	HLCDGHQBORJQCM-SFHVURJKSA-N	357.498	2.385	10	10	FECE	
C[C@](NC(=O)C=Cc1ccc(O)c(O)c1)(C(N)=O)c1cccc(Cl)c1	2307989588	DRPOUUNIHPGPEA-GOSISDBHSA-N	360.797	2.281	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(F)cc3)CC2)cc1	9858105	IHLXGZGIXDMYAF-UHFFFAOYSA-N	357.385	2.122	10	10	FECE	
CCOC(=O)[C@]12O[C@]1(Cc1ccc(OC)cc1)C(=O)c1ccccc1C2=O	105418492	VVQKJNGARBJVDE-RTWAWAEBSA-N	366.369	2.388	10	10	FECE	
COc1cc(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)ccc1CN	2139699686	ZAJNZWRUNHPZRS-TZIWHRDSSA-N	353.466	2.244	10	10	FECE	
CN(C)S(=O)(=O)c1cccc(NCc2cc([N+](=O)[O-])ccc2O)c1	193149153	ULZUNDMHACZIEV-UHFFFAOYSA-N	351.384	2.163	10	10	FECE	
CC(=O)N1CC[C@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1	85709671	UDRNKJWTMQRYLN-ZDUSSCGKSA-N	362.385	2.269	10	10	FECE	
CC(=O)Oc1c2c(c(OC(C)=O)c3c1C(=O)c1ccccc1C3=O)CC2	196670956	AJBMNVCVRIFLBY-UHFFFAOYSA-N	350.326	2.411	10	10	FECE	
CCOC(=O)C[C@H](C)CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1	255420285	HQHSNMNXECZOKJ-HWYHOQROSA-N	360.454	2.242	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)C1CCN(C(=O)c2ccccc2)CC1	272327816	LWNCYCORICRPDH-UHFFFAOYSA-N	354.406	2.266	10	10	FECE	
CCOC(=O)c1nn(C)cc1CN(C)c1cc(OC)c(OC)c(OC)c1	274458656	GZZUHBCNXSPIQY-UHFFFAOYSA-N	363.414	2.259	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C	2162953290	VFGWPTKQFOXGPO-GYSYKLTISA-N	372.391	2.127	10	10	FECE	
C[C@@H](NC(=O)C1CN(CC(F)(F)F)C1)c1ccc(N2CCOCC2)cc1	806613878	CUQQZRKLSMLTNM-CYBMUJFWSA-N	371.403	2.195	10	10	FECE	
COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2O)c(C)cc1F	813670262	QXARFADHUQVYLA-UHFFFAOYSA-N	367.398	2.447	10	10	FECE	
COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1cc(Cl)c(C)cc1O	824938369	IEHZCHYDFCPRAS-VDERGJSUSA-N	367.829	2.279	10	10	FECE	
Cc1cc(C(=O)COC(=O)[C@@H](O)C2CC2)c(C)n1-c1ccc2c(c1)OCO2	730880924	XXYSAEPZXRPMFC-IBGZPJMESA-N	371.389	2.320	10	10	FECE	
COc1ccc(N2CCN(C(=O)COC(=O)/C=C/C(C)(C)C)CC2)cc1	732402124	KTDNTOJKUXQGAJ-MDZDMXLPSA-N	360.454	2.489	10	10	FECE	
COC[C@@H]1CCN1C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	838533686	NXPFZNCQHXMOQP-FQEVSTJZSA-N	372.513	2.149	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NC[C@H]2CN(C)CCN2C)c1O	848528207	KJWGFHLBPQAQEZ-YPMHNXCESA-N	372.307	2.060	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)c3nc(C)c(C)s3)C2)cc1	849416324	OXZRNYZYOJUOMO-ZDUSSCGKSA-N	367.496	2.326	10	10	FECE	
CC(C)C1(S(=O)(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1	866833711	DVQVLWCCCRQQMJ-UHFFFAOYSA-N	370.490	2.395	10	10	FECE	
CCO[C@@H]1COCC[C@H]1CC(=O)N1CCN(c2ccc(OC)cc2)CC1	864471044	WCSOUGJHOATBBG-QFBILLFUSA-N	362.470	2.176	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@H]1Cc2c(C)cccc2N1C(=O)OC(C)(C)C	860312933	YIBHPIVCQVDLIM-OAHLLOKOSA-N	361.394	2.363	10	10	FECE	
C[C@H]1CC(=O)N(C)c2ccc(NC(=O)C(=O)NCc3ccccc3O)cc21	861732463	ZPDSPTFBFGMOLF-LBPRGKRZSA-N	367.405	2.117	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1n[nH]cc1-c1ccc2c(c1)OCO2	1148055994	REXAHJFRLZCSQL-UHFFFAOYSA-N	353.334	2.398	10	10	FECE	
COc1ccccc1N1C[C@H](C(=O)NCc2c(O)cccc2F)CC1=O	1156170200	IOBQHURONLQYGG-GFCCVEGCSA-N	358.369	2.209	10	10	FECE	
COC(=O)C[C@](C)(NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccn1	1155128543	STRFQSLNPUROFZ-SFHVURJKSA-N	369.381	2.452	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H]1C[C@@H]2CCCC[C@@H]21	1350464024	LPUBCCKCUNWVBG-YTQUADARSA-N	353.466	2.374	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](CNC(=O)c2ccc(O)c(O)c2)C1	2118164512	QVSJSOFRACPHAX-MXXVBZNESA-N	368.405	2.471	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CCCC2)n1C[C@]1(O)CCOC1	1617940290	MFKMIKJLCHDXDK-HXUWFJFHSA-N	372.469	2.429	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cc2n(n1)CCC[C@H]2O	1557063385	MYKIETXJWIQBPS-AUUYWEPGSA-N	356.470	2.446	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)c1cccc(S(=O)(=O)C(F)F)c1	1566369423	FICMYKSEBXGQOE-UHFFFAOYSA-N	371.361	2.067	10	10	FECE	
C[C@@H](NC1CCN(CCN(C)C)CC1)c1ccc(N2CCOCC2)cc1	150946322	VOTOLXZSCNNITH-GOSISDBHSA-N	360.546	2.200	10	10	FECE	
CCCOc1ccc(CNC2CCN(S(=O)(=O)C3CC3)CC2)c(O)c1	151266678	MCRDWUCBWYJIRB-UHFFFAOYSA-N	368.499	2.227	10	10	FECE	
COCC(=O)N1CC(OC(=O)CCn2c3c(c4ccccc42)CCCC3)C1	1849770957	CGEYYLJEYJUNCX-UHFFFAOYSA-N	370.449	2.311	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](C(=O)N3CC[C@@H](N=[N+]=[N-])C3)C[C@H]21	2135127769	ACKFYTOEQBRFAQ-AAVRWANBSA-N	365.434	2.312	10	10	FECE	
CC1(CNC(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)CC1	2136259789	WPWIRRGMNUETKN-ZDUSSCGKSA-N	364.442	2.450	10	10	FECE	
C[C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2cccc(O)c2O)C1	1973749320	WJMKZHHJWWOFJI-ZJUUUORDSA-N	360.332	2.017	10	10	FECE	
COc1ccc([C@H](C)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(O)c1	2062450673	INUBTTRNQKSKGM-HZUKXOBISA-N	352.431	2.032	10	10	FECE	
CN(CC(F)(F)C(=O)NCCc1ccc(O)c(O)c1)C(=O)OC(C)(C)C	2277922624	ZQEPLHDKKDAOCF-UHFFFAOYSA-N	374.384	2.259	10	10	FECE	
Cc1cc(Br)cc(CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c1O	377697289	OHIDLYUISPJFAH-GXFFZTMASA-N	360.273	2.082	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N1CCN(Cc2cccc(O)c2)CC1	2307989772	ITFKVELBDSSTHU-UHFFFAOYSA-N	354.406	2.161	10	10	FECE	
COc1cc(N2CCN(C(=O)C=Cc3ccc[nH]3)CC2)cc(OC)c1OC	2310794106	CIIKVEOSZRPQFA-UHFFFAOYSA-N	371.437	2.403	10	10	FECE	
COc1ccc(CNCCOC2CN(C(=O)OC(C)(C)C)C2)c(O)c1	2315421832	HMHVQQVTAUPIJX-UHFFFAOYSA-N	352.431	2.126	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)C[C@H]1COCC[C@@H]1NC(=O)OC(C)(C)C	2315987050	MNVDZNAWOZOQOU-STQMWFEESA-N	355.439	2.465	10	10	FECE	
CCOC(=O)[C@@]12O[C@]1(Cc1ccc(OC)cc1)C(=O)c1ccccc1C2=O	59370402	VVQKJNGARBJVDE-NHCUHLMSSA-N	366.369	2.388	10	10	FECE	
CN1C(=O)[C@@H](N)c2ccc(N3C[C@@H]4CCN(Cc5ccccc5)[C@@H]4C3)cc21	2356973967	JOOKTGXHWKPLPH-DQLDELGASA-N	362.477	2.374	10	10	FECE	
COc1ccc(N2CCN([C@H](C)C(=O)Nc3cc(C)on3)CC2)cc1F	177712385	FYHCVDRXYFZFPE-CYBMUJFWSA-N	362.405	2.280	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3CC[C@@H](OC)C3)CC2)cc1F	188007906	MTQWZYUTIIVKKU-UKRRQHHQSA-N	351.422	2.233	10	10	FECE	
CCCOc1ccc(CN2CCN(CC(=O)N[C@H](C)CC)CC2)c(O)c1	129120040	NSDYIUULOOXLGN-MRXNPFEDSA-N	363.502	2.213	10	10	FECE	
CCN1CC[C@H](N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H](C)C1	246513175	IKVJVEYFSFJJRL-PXNSSMCTSA-N	360.546	2.373	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCCN(C4CCCC4)CC3)cc2N1	361814959	PFCZMNHREPQKBS-UHFFFAOYSA-N	360.414	2.380	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC(F)(F)[C@@H](CO)C2)c([N+](=O)[O-])c1	292382624	QGUPFGVLZHRQKI-OGOUPESXSA-N	356.325	2.235	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@@]2(CCCOC2)C1	807102391	YPSDHLVTCUHPSL-OAQYLSRUSA-N	373.497	2.096	10	10	FECE	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC2COCCOC2)cc1	813818512	UBWDJEGHYSLCBW-UHFFFAOYSA-N	373.453	2.473	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Nc3cccc4c3CNC4=O)C2)cc1	823364385	VWFHNRGNXDKFQU-CYBMUJFWSA-N	366.421	2.339	10	10	FECE	
C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1cscn1	827158016	LZFXOLISACLZQS-CYBMUJFWSA-N	358.467	2.237	10	10	FECE	
CN1CCCc2cc(CNC(=O)NCC(C)(C)[C@@]3(O)CCOC3)ccc21	826019685	JTUBSVSDYBJHKG-HXUWFJFHSA-N	361.486	2.046	10	10	FECE	
COc1ccc([C@@H](CC(=O)NCc2cc(OC)ccc2O)NC(C)=O)cc1	734015463	MAUDGFWPXYGBGX-GOSISDBHSA-N	372.421	2.293	10	10	FECE	
Cc1cc(CCNC(=O)N2CCn3cnnc3C2)c(C)n1-c1ccccc1	732441903	LYAOZPDGTSPRIJ-UHFFFAOYSA-N	364.453	2.454	10	10	FECE	
CO[C@@H](CS(=O)(=O)Nc1ccc(O)cc1OC(C)C)C1CCOCC1	842589549	SRJAOHRQUKKFPE-KRWDZBQOSA-N	373.471	2.363	10	10	FECE	
Cc1cc(CCNC(=O)NCC[C@@H]2CNC(=O)C2)c(C)n1-c1ccccc1	913956533	RUEZVGXCLHSLMU-KRWDZBQOSA-N	368.481	2.462	10	10	FECE	
CN1CC[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H](c2cnn(C)c2)C1	849486619	LHBXMEZXMOQTPI-WOJBJXKFSA-N	369.513	2.180	10	10	FECE	
CCO[C@H](CS(=O)(=O)NCc1ccc2c(c1)CCCN2C)C1CC1	858925731	OPXDTCQFXNWERX-GOSISDBHSA-N	352.500	2.304	10	10	FECE	
CN1CCCc2cc(CNC(=O)c3cc(C4CCNCC4)no3)ccc21	852799418	SMJHMZSNQAVSGQ-UHFFFAOYSA-N	354.454	2.454	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCCOc3cccnc3)C2)cc1	852108009	ZEOXXRBTPZZONQ-OAHLLOKOSA-N	356.426	2.047	10	10	FECE	
C[C@H](NC(=O)N[C@H]1C[C@@H](O)C12CCC2)c1ccc(N2CCOCC2)cc1	853487367	NQYFYVSIRUTNIU-JCGIZDLHSA-N	359.470	2.187	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3ccc(CO)c(F)c3)C2)cc1	853588293	FVCOKJPHICAPGA-MRXNPFEDSA-N	373.428	2.405	10	10	FECE	
Cc1cc(O)c(CN[C@H]2CCN(c3ccc4nncn4n3)C2)c(Cl)c1	858244380	WDZQYRKTGXPTHF-LBPRGKRZSA-N	358.833	2.160	10	10	FECE	
C[C@H](NC(=O)N[C@@H]1C[C@H](C)n2ncnc21)c1ccc(N2CCOCC2)cc1	852011808	AKJOOUZTYLSJEB-GRDNDAEWSA-N	370.457	2.181	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)N[C@H]2C[C@@H](C)n3ncnc32)cc1	852473506	OKSVDCWFWVNAGX-CJNGLKHVSA-N	358.446	2.070	10	10	FECE	
CCO[C@H](C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1CCOC1	865019397	SJWHHILPCMNHDD-WDYCEAGBSA-N	362.470	2.142	10	10	FECE	
CCOC(=O)C1CCC(O)(C[C@H](O)CN[C@H](C)c2ccccc2O)CC1	931555236	VMNMTEOBKSKENG-JQCXZVQFSA-N	365.470	2.278	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)N2Cc3cccc(O)c3C2)C1	871203715	QVOQAPQLSNTDAV-CQSZACIVSA-N	362.426	2.260	10	10	FECE	
COc1ccc(-n2cc(C(=O)NCc3ccc(N(C)C)c(F)c3)nn2)cc1	1125535460	VTPRESBWGUMVEP-UHFFFAOYSA-N	369.400	2.411	10	10	FECE	
C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)NCCc3ccc(O)c(O)c3)c2N1	1123668675	FRQLNTOGXJTCCK-BXKDBHETSA-N	366.368	2.277	10	10	FECE	
COc1c(C)cnc(Cn2cnc(NC(=O)c3cccc(O)c3O)n2)c1C	790162586	SHKKJKRGSCPHNX-UHFFFAOYSA-N	369.381	2.010	10	10	FECE	
CCCN(CC(N)=O)CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C	795527055	RMJDPQFRUXWAPQ-UHFFFAOYSA-N	371.437	2.203	10	10	FECE	
CC(C)[C@@]1(C2CC2)NC(=O)N(CN(C)Cc2ccc(N(C)C)cc2)C1=O	799130114	ZKCMIJWNTZOKLS-FQEVSTJZSA-N	358.486	2.499	10	10	FECE	
O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(O)cc1O	1084011227	BAGOAHNAVLTTGH-XFFZJAGNSA-N	358.350	2.068	10	10	FECE	
O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC1CC(CO)(CO)C1	1163851713	BQWQLFHQWINKLX-UHFFFAOYSA-N	356.378	2.371	10	10	FECE	
O=S1(=O)CCC[C@@]12CCN(c1ccc(CO)c(Br)c1)C2	709029981	XKLFFLTYGTYKKO-AWEZNQCLSA-N	360.273	2.099	10	10	FECE	
Cc1nc(CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)sc1C	1334332901	KXJXIDHCRYPNMJ-UHFFFAOYSA-N	358.511	2.371	10	10	FECE	
Cn1c(C=O)ccc1C(=O)Nc1ccc(NC(=O)C2=S=CC=C2)cc1	1442972384	HRCONXRGVDJFRY-UHFFFAOYSA-N	353.403	2.306	10	10	FECE	
Cn1ncc(C(=O)NCc2ccccc2O)c1CNC(=O)OC(C)(C)C	2124159785	JDNCNIIIDQQAAQ-UHFFFAOYSA-N	360.414	2.080	10	10	FECE	
CC(C)(C)OC(=O)NCCn1cnc(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)c1	2124537535	ZDIXBOFPAWHANP-GFCCVEGCSA-N	363.422	2.180	10	10	FECE	
CC(C)(C)OC(=O)NCc1ncc(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)cn1	2124505400	KZHZQUWCTCSKOK-LBPRGKRZSA-N	361.406	2.416	10	10	FECE	
O=C([C@@H]1CCCn2ncnc21)N(Cc1ccccc1O)C[C@@H]1CCCO1	1597090324	WFONLJKXBTYLJB-JKSUJKDBSA-N	356.426	2.069	10	10	FECE	
COc1ccc(CNCCCN(C)C(=O)[C@@H]2C[C@H]2c2cncn2C)cc1C	1670250475	YYSIHLHBQHQSGF-QZTJIDSGSA-N	370.497	2.479	10	10	FECE	
CCN1C[C@H](C)N(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C[C@H]1C	1687023249	POHOYHKTNVZSRW-IXDOHACOSA-N	360.502	2.398	10	10	FECE	
CC[C@H](NCCN1CCN(c2ncccn2)CC1)c1ccc(N(C)C)cc1	164282319	JSFLPZCSNOKTBH-FQEVSTJZSA-N	368.529	2.406	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCNC2)N2CCCCC2)cc1	1865975747	LWXJNRPSYSVFNI-AZUAARDMSA-N	358.530	2.395	10	10	FECE	
C[C@H](NC(=O)[C@H]1CO[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1O	828539743	URORJMGCRJXPMR-BFHYXJOUSA-N	364.442	2.499	10	10	FECE	
C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)c1ccn(-c2ccc(N)cc2)n1	2162545919	AEMGUWWKDIMRST-ZDUSSCGKSA-N	373.457	2.488	10	10	FECE	
CN1CCc2cc([C@H](N)[C@H](NC(=O)OC(C)(C)C)c3cn(C)nn3)ccc21	2166701785	JOARHZIWGJXDKE-DLBZAZTESA-N	372.473	2.073	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C)CCN(S(=O)(=O)Cc2ccc(N)cc2)C1	2044603426	VZKYXXTZNGVIDB-KRWDZBQOSA-N	369.487	2.088	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1	270572424	ZPZNJVDKBPAWNE-KBPBESRZSA-N	364.442	2.450	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)CCOC1	2060638876	BWZJLZHFSOUYOH-BLLLJJGKSA-N	353.423	2.362	10	10	FECE	
COc1ccc(O)c([C@H](C)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1	2062450589	HXUFHDNUEJHRDN-PJODQICGSA-N	352.431	2.032	10	10	FECE	
CN(CCOC(F)F)c1cc2c(cc1Br)[C@H](O)C(=O)N2	2202947216	JEEDXXBNMDQXPJ-JTQLQIEISA-N	351.147	2.110	10	10	FECE	
CCC[C@@H](CNC(=O)COc1ccc(N)cc1)NC(=O)OC(C)(C)C	2218569384	WZUQHHWHLVOAEE-AWEZNQCLSA-N	351.447	2.457	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])C1	2218746608	RDFPXPZDOUFVIK-AGIUHOORSA-N	353.423	2.360	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1	2288269266	ZXWIWGNLPCUSJR-JZKQVHKSSA-N	374.485	2.442	10	10	FECE	
COc1ccc(N2CCN(C(=O)C[C@H](C)NC(=O)C3CCCC3)CC2)cc1	171350579	IESHAVBYFSXPMD-INIZCTEOSA-N	373.497	2.429	10	10	FECE	
CCN1CCN(CC(=O)N(Cc2ccco2)Cc2ccccc2O)CC1	133251421	RCNPEVKKDUVAJD-UHFFFAOYSA-N	357.454	2.152	10	10	FECE	
COc1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC	41379830	KBJZCIIQHYMJAH-UHFFFAOYSA-N	362.451	2.215	10	10	FECE	
CC(=O)N1CSC[C@@H]1C(=O)N(Cc1ccco1)Cc1ccccc1O	136908534	HKOXMDBJTTUNNB-MRXNPFEDSA-N	360.435	2.435	10	10	FECE	
C[C@H](CCO)CNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92438027	BOTKMSWYMKXXTF-QGZVFWFLSA-N	374.529	2.036	10	10	FECE	
C[C@@H]1C[C@H](NC[C@@]2(CO)COCC3(CCC3)N2C)c2c(O)ccc(F)c21	527955339	NPAPXKCTMJYPBR-IAMHBRQHSA-N	364.461	2.285	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)C(=O)N(C)C)C1	444249519	XBWOFBMDDLUEAY-HNNXBMFYSA-N	370.497	2.001	10	10	FECE	
CN1CCC2(CCCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C2)CC1	375999303	KEUSJFBNLLURTF-UHFFFAOYSA-N	360.414	2.238	10	10	FECE	
Cc1cc(C(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)c(C)n1-c1ccccn1	285840175	JUMIVJZPRWFKIK-RDJZCZTQSA-N	359.470	2.377	10	10	FECE	
COc1cc(N2CCN(C(=O)N3CC[C@H](C)C3)CC2)cc(OC)c1OC	800108823	IDROUTZFTLJJNX-AWEZNQCLSA-N	363.458	2.296	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CC[C@H]4C[C@@H]4C3)cc2)C1	825859919	XDEKFXNRWOEBOF-BSDSXHPESA-N	370.497	2.376	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CC[C@@H](C2CC2)N1	846672377	GJRCWWHHFUKOPY-PMACEKPBSA-N	357.498	2.042	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3CC[C@]4(CCCNC4)C3)CC2)cc1	841779735	XZXAOSLOTIYCMM-NRFANRHFSA-N	372.513	2.449	10	10	FECE	
CCO[C@@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)CN(C)C	926829353	MUDYQZDLMHAWNE-IBGZPJMESA-N	362.518	2.393	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Cn3cnc4ccccc43)C2)cc1	855224886	LPUDDDVMOZQMQV-OAHLLOKOSA-N	350.422	2.440	10	10	FECE	
CN(C)c1ccc(CNC(=O)NCc2ccc3oc(=O)n(C)c3c2)cc1F	858900567	UBMVRMNHYYXRII-UHFFFAOYSA-N	372.400	2.336	10	10	FECE	
CCOc1ccc(O)c(CNC[C@H]2CN(Cc3ccncc3)CCO2)c1	858306120	IWYBPUNVDXJFNF-IBGZPJMESA-N	357.454	2.177	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N[C@@H]3CCNC34CCC4)CC2)cc1	861572134	MFJVOCZADQPVGV-GOSISDBHSA-N	358.486	2.248	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@H]3[C@H]4OCCC[C@@H]43)cc2F)CC1	779920316	GCNVDMDSDWYBEW-LZQZEXGQSA-N	361.461	2.009	10	10	FECE	
Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1Cc2cccc(O)c2C1	871200944	OANUERKOJNTHGC-KRWDZBQOSA-N	367.384	2.152	10	10	FECE	
Cc1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)o1	773282476	LHEQDXRVBKLZAV-UHFFFAOYSA-N	350.440	2.245	10	10	FECE	
O=C1C[C@@H]([C@@H]2CCCCN2C(=O)c2cc3cc(O)c(O)cc3s2)CN1	897263665	LCYJKOPZRCYVLT-NEPJUHHUSA-N	360.435	2.443	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CN[C@H]3CCCc4n[nH]cc43)cc2)C1	796700145	CPZUGPLOTYGSJI-YJBOKZPZSA-N	353.470	2.279	10	10	FECE	
C[C@H]1OCC[C@]1(O)Cn1c(C2CCC2)nnc1N(C)Cc1ccccc1O	1305249313	ZVZIDQNSRPVLIL-VLIAUNLRSA-N	372.469	2.428	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3CCN3C(C)(C)C)CC2)c(OC)c1	1302001253	VUFQWRNDYNDYTF-QGZVFWFLSA-N	361.486	2.225	10	10	FECE	
Cc1cc(CC(=O)N[C@H]2C[C@H](O)[C@H](O)C2)c(C)n1-c1ccc(Cl)cc1	1455969121	ICHGQALCKCODNM-XGWQRUHWSA-N	362.857	2.290	10	10	FECE	
COc1ccc(CNC[C@@H](C)N(C)C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1C	1482297401	OIFLUACNIASDIY-DJIMGWMZSA-N	356.470	2.467	10	10	FECE	
O=C(CNC(=O)Cc1cccc(F)c1)NCc1cccc(Cl)c1O	1558757274	XVGWXAWBVMTNQX-UHFFFAOYSA-N	350.777	2.160	10	10	FECE	
CCc1nn(C)cc1C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O	1637247696	UAAOVGULNAKUOP-UHFFFAOYSA-N	365.817	2.157	10	10	FECE	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(F)c(O)c3)c2)CC1	1633073478	XWSIZOBTSWLXBD-UHFFFAOYSA-N	357.385	2.452	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1nnc(-c2ccccc2)o1	1633818268	GMIVUOLHWPUMGN-GFCCVEGCSA-N	353.378	2.438	10	10	FECE	
CS(=O)(=O)Cc1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1	1638570077	RYTKVBIRXPQBLJ-UHFFFAOYSA-N	370.430	2.415	10	10	FECE	
Cc1cc(CC(=O)N[C@H]2CC(=O)N(C)C2=O)c(C)n1-c1ccc(Cl)cc1	1633974419	KJZHGMOHTBWVJJ-INIZCTEOSA-N	373.840	2.164	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)c1cnc(C2OCCO2)s1	1570533491	DVPGSFRPMPOSIX-UHFFFAOYSA-N	357.391	2.372	10	10	FECE	
COc1cc(N2C[C@@H](C(N)=O)[C@H](c3ccccc3)C2)c([N+](=O)[O-])cc1OC	1655571030	USJMKYFWOXSVTP-UONOGXRCSA-N	371.393	2.317	10	10	FECE	
Cn1ncc(CNC(=O)OC(C)(C)C)c1NC(=O)Cc1ccc(N)cc1	2126453054	RFVRUMKFLUTATH-UHFFFAOYSA-N	359.430	2.208	10	10	FECE	
CCOc1cccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)c1O	2126903633	WAKNFNODOZYCQP-CABCVRRESA-N	366.458	2.251	10	10	FECE	
CC(C)COC[C@@H](O)CN[C@@H](C)c1ccc(N2CCC(O)CC2)cc1	151408944	UBLGMUAEESJVNS-JXFKEZNVSA-N	350.503	2.332	10	10	FECE	
COc1ccc(O)c([C@H](C)NCC2(NC(=O)OC(C)(C)C)COC2)c1	1967533740	MULMFCWRKHKKEY-LBPRGKRZSA-N	352.431	2.345	10	10	FECE	
Nc1ccc(OCC(=O)Nc2nnc(Cl)cc2Br)cc1	2158810607	BXCWCUPFUXLEKJ-UHFFFAOYSA-N	357.595	2.492	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NCc1ccc(F)c(F)c1O	2036602095	KHWOEPHISIZXHQ-YPMHNXCESA-N	358.385	2.300	10	10	FECE	
CN(C[C@@H](O)COc1ccc(N)cc1)C[C@H]1CCN(Cc2ccccc2)C1	383262704	LYABUUYPDZSWRO-TZIWHRDSSA-N	369.509	2.462	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2ccc(O)c(O)c2)C1	2054407813	KGBXTSQKIRXBIX-GFCCVEGCSA-N	350.415	2.475	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2060639208	FPTITGXXNUPALY-OLZOCXBDSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C1	2060634209	WSIRWUBUQONQBY-OLZOCXBDSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)COc2ccc(N)cc2)CC1(C)C	2106697984	TVTFRXWWPLSYTG-OAHLLOKOSA-N	363.458	2.409	10	10	FECE	
CC(C)(C)OC(=O)NCCCONCc1ccc(N2CCOCC2)cc1	2090099902	OSVQJHYPZVOISH-UHFFFAOYSA-N	365.474	2.459	10	10	FECE	
COc1ccc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c(C(=O)O)c1	2235948717	VGNOQCWRUINLEO-UXHICEINSA-N	368.433	2.483	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@]12CCO[C@@H]1CN(C(=O)OC(C)(C)C)C2	2264329054	UTQIEHHZRPXIKG-MLGOLLRUSA-N	353.423	2.171	10	10	FECE	
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(C(=O)O)cc3)C2=O)cc1	2294130795	IECWPNSBYHMJBL-UHFFFAOYSA-N	366.329	2.060	10	10	FECE	
O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNc1ccccc1[N+](=O)[O-]	2297329216	LHJJUWAYXVQGLR-UHFFFAOYSA-N	352.306	2.174	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@H]2CCC[C@H]2[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1	2309664839	FUFSSPXQNNYBEV-DTHCGKTHSA-N	350.459	2.191	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	180883037	GNOQCUJQAFHKSS-KRXBUXKQSA-N	369.377	2.368	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)cc1	79712783	AMIXPAGRUJPDJS-LJQANCHMSA-N	368.481	2.429	10	10	FECE	
Cn1nnc2ccc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc21	183452824	RNPFLDJUYAIHGS-INIZCTEOSA-N	366.421	2.495	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2cnn(C)c2)C1	517069674	VICCFDQWDHCZCF-UHFFFAOYSA-N	365.481	2.458	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cccc(C(C)(C)O)c1	807024053	HETVVBCFUXXAIN-LBPRGKRZSA-N	372.421	2.011	10	10	FECE	
CC(C)[C@@H](C)CNC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	807271718	KLYFEADSNVNQJE-DOTOQJQBSA-N	362.470	2.308	10	10	FECE	
Cc1ccc2nc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)[nH]c2c1	817017663	YFEAKGONAZHEBF-UHFFFAOYSA-N	360.395	2.201	10	10	FECE	
CCN1C(=O)[C@@H]2CC3(CCN(Cc4cccc(F)c4O)CC3)CN2C1=O	581803419	LNBWDAZGQBWPKD-HNNXBMFYSA-N	361.417	2.170	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)CS(=O)(=O)NC(C)(C)C)cc1	919682060	AHQVGNFMMQEDOD-UHFFFAOYSA-N	369.531	2.209	10	10	FECE	
COc1cc(Br)cc([C@H](C)N[C@H](CO)c2cnn(C)c2)c1O	848536721	UMDFBHXFKACTCS-TVQRCGJNSA-N	370.247	2.281	10	10	FECE	
C[C@H](NC(=O)N1CCC(N2CC[C@@H](O)C2)CC1)c1ccc(N(C)C)cc1	854003200	GBONQFFEECRQBE-HNAYVOBHSA-N	360.502	2.054	10	10	FECE	
CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2COC[C@@H]2c2ccccc2)cc1	852791776	MFOUPZSMPGONSX-VAMGGRTRSA-N	353.466	2.299	10	10	FECE	
C[C@@H]1[C@@H](NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C[C@H]2CC[C@H]1N2	925485379	MIRCUPJSMXJRHE-UZKILMIQSA-N	356.514	2.007	10	10	FECE	
O=S(=O)(Nc1ccn(Cc2ccncc2)n1)c1cc(F)cc(F)c1O	753014025	DKCOODWNNPOTQS-UHFFFAOYSA-N	366.349	2.111	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCCc4nn(C)cc43)C2)cc1	855224954	MDGFWDJBCQWBCE-RHSMWYFYSA-N	354.454	2.244	10	10	FECE	
COc1ccc(N2CCC(NCc3cn(C[C@H]4CCOC4)nn3)CC2)cc1	865443728	CDSFNMAIBSBIDO-MRXNPFEDSA-N	371.485	2.082	10	10	FECE	
CCO[C@H](C(=O)N1CCCN(c2ccc(OC)cc2)CC1)[C@H]1CCOC1	864950261	WETMPBWQSSKVAE-LPHOPBHVSA-N	362.470	2.176	10	10	FECE	
COc1cc(N2CCN(c3ccc([C@@H](C)O)cn3)CC2)cc(OC)c1OC	865677666	GZRFRFKZNIKZMW-CQSZACIVSA-N	373.453	2.487	10	10	FECE	
COC(=O)[C@@H]1CN(Cc2cc(C)cc(Br)c2O)C[C@@H](C)O1	862486183	ATOOLKUWCZBPJX-MFKMUULPSA-N	358.232	2.225	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCCC12OCCO2	773725260	FJHJQGHKWILCCQ-GOSISDBHSA-N	360.454	2.025	10	10	FECE	
O=C(Cc1ccncc1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	779679253	ZCAUCKIHAGSIMU-UHFFFAOYSA-N	364.493	2.473	10	10	FECE	
CCOC(=O)[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCC1(F)F	870920529	XRMWYMJEMHLSQB-FVOPLDGLSA-N	355.337	2.158	10	10	FECE	
CN(C)CCOc1ccc(/C=C\C(=O)NCc2cccc(O)c2O)cc1	1123977449	HFFWGEUSAPMHNK-FLIBITNWSA-N	356.422	2.368	10	10	FECE	
CNC(=O)C[C@@H](NC(=O)NCc1cc(OC)ccc1O)c1ccccc1	797458573	POZFMTHDFQVVQF-MRXNPFEDSA-N	357.410	2.077	10	10	FECE	
OC[C@@]1(C(F)(F)F)CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1	895837956	RZTAGJDTCRZLQP-QGZVFWFLSA-N	358.404	2.394	10	10	FECE	
C[C@H](NC(=O)c1n[nH]cc1I)c1ccccc1O	1302538466	RXEWZBORZFLMNZ-ZETCQYMHSA-N	357.151	2.211	10	10	FECE	
O=C1Nc2cc(N3C[C@@H]4CN(Cc5ccccc5)C[C@H]4C3)c(F)cc2[C@H]1O	705959409	QEUSIHRJCSCNCL-AUSJPIAWSA-N	367.424	2.379	10	10	FECE	
Nc1ccc(CCNC(=O)C(=O)N[C@@H]2[C@H]3Cc4c(Cl)cccc4[C@H]32)cc1	1331606210	SPCPRZYTSMWVKS-CGTJXYLNSA-N	369.852	2.035	10	10	FECE	
C[C@H](NC(=O)C(=O)NC[C@@H]1CCC2(CCC2)O1)c1ccc(N(C)C)cc1	1334514668	MWZQZPPDTRGXBB-YOEHRIQHSA-N	359.470	2.148	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC[C@H]1CC1(Cl)Cl	1331372923	CEXBNBCKHRMZAP-ZDUSSCGKSA-N	372.296	2.411	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)c3ccc(O)c(O)c3)C[C@H]2C1	2118185644	VVXBPZCZRVJXNT-WDNDVIMCSA-N	362.426	2.473	10	10	FECE	
CN(C)[C@H]1CCC[C@@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	1464310662	XRRSENIROHQBAO-SJORKVTESA-N	363.477	2.399	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC(C)(C)[C@H]4COC[C@H]43)C2)cc1	1470771371	DWOWMDUZTLRUGR-JCGIZDLHSA-N	359.470	2.340	10	10	FECE	
COc1ccc(OC)c(/C=C2/SC(=S)N(CCN(C)C)C2=O)c1	214006817	WADGWEFYUQVRKA-GXDHUFHOSA-N	352.481	2.467	10	10	FECE	
O=C(NCc1c(O)ccc2ccccc12)[C@H]1COCCN1CC(F)(F)F	1472084905	GWNBTUXGSIMZOB-OAHLLOKOSA-N	368.355	2.425	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(CC2CC2)n1CCNC(=O)C1CC1	1711096522	LSSKBWJSYQSQMF-UHFFFAOYSA-N	369.469	2.099	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cn(-c2cccc(OC)c2)nn1	1627029263	XEVOXJVERCRFNN-UHFFFAOYSA-N	373.409	2.397	10	10	FECE	
COC[C@@H](NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C)c1nn[nH]n1	1638139393	CIVXZXPMHJTLBO-OAHLLOKOSA-N	374.832	2.378	10	10	FECE	
COCCOc1cncc(C(=O)NCc2ccc3cccnc3c2O)c1	1638573379	UKWOGTAQSVPWKO-UHFFFAOYSA-N	353.378	2.291	10	10	FECE	
COC(=O)[C@@]1(C)C[C@H](OC)CN1Cc1cc(Cl)cc(C(C)=O)c1O	1647989014	ABNISYVKFKKUGM-SUMWQHHRSA-N	355.818	2.401	10	10	FECE	
Cn1nnnc1CCCNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1	1643298653	SUONGRWMJUIPTM-UHFFFAOYSA-N	366.381	2.394	10	10	FECE	
C[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccccc1O	1648889825	NSKFRFWLONCJMH-LLVKDONJSA-N	353.338	2.372	10	10	FECE	
COC(=O)[C@@](C)(Cc1ccc(F)cc1)NC(=O)Cc1ccc(O)c(O)c1	1589141910	OQEHZOFFWOFWEP-LJQANCHMSA-N	361.369	2.070	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCO[C@H](c3noc(C4CC4)n3)C2)cc1	1651375250	PZWYUIQSEMKFRZ-ZDUSSCGKSA-N	370.369	2.323	10	10	FECE	
COc1cc(Br)cc(CN2CCC[C@@H](NC(C)=O)C2)c1O	153834018	FPXQQOYVMBIONF-CYBMUJFWSA-N	357.248	2.264	10	10	FECE	
CC[C@@H]1CN(C(=O)NCCCSc2nccs2)CCN1CCOC	154626165	KNGFWZRPXLMSPF-CQSZACIVSA-N	372.560	2.378	10	10	FECE	
C[C@H](NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1O	1918946482	ISWDOWUGWVQJFX-KPZWWZAWSA-N	352.431	2.120	10	10	FECE	
CN[C@H](c1ccccc1O)[C@@]1(O)CCN(C(=O)OCc2ccccc2)C1	1922460408	CGYNROXKOQDBGA-UYAOXDASSA-N	356.422	2.426	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCC(F)F	2136261951	PNMYCBXQBFUHAR-NSHDSACASA-N	374.384	2.305	10	10	FECE	
C[C@H](N)c1ccc(N2CC[C@H]3CS(=O)(=O)C[C@H]32)cc1Br	2151274473	LLPDLZGQDNLPLH-PKFCDNJMSA-N	359.289	2.092	10	10	FECE	
C[C@@H](N[C@@H]1COCCN(C(=O)OC(C)(C)C)C1)c1ccc(O)cc1O	2034723340	PGDPZZBRVVGJGB-OLZOCXBDSA-N	352.431	2.384	10	10	FECE	
C[C@@H]1[C@H](NS(=O)(=O)Cc2ccc(N)cc2)CCN1Cc1ccccc1	310685039	MAGDIUKBFQVYCI-DNVCBOLYSA-N	359.495	2.351	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@H]1CNC(=O)c1ccn(-c2ccc(N)cc2)n1	2163220750	YVSYRUUCPGLXQG-LRDDRELGSA-N	371.441	2.098	10	10	FECE	
CN(Cc1ccccc1O)C(=O)COC1(C)CN(C(=O)OC(C)(C)C)C1	783666911	KZQVQOUCTBHKAY-UHFFFAOYSA-N	364.442	2.377	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N(c1cc3c(cc1N)OCC(=O)N3)C2	2187754153	MYKQMTRXDYJJPN-NEPJUHHUSA-N	374.441	2.045	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(F)(F)C[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1	2049781451	VFFFJGOVLYWQAW-SRVKXCTJSA-N	360.401	2.287	10	10	FECE	
C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2060632747	FKJILXUTCJBDAC-YNEHKIRRSA-N	355.439	2.200	10	10	FECE	
C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2060632745	FKJILXUTCJBDAC-JHJVBQTASA-N	355.439	2.200	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1CC(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2067675499	ARXHLYBESHHNHF-YNEHKIRRSA-N	353.423	2.218	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)COc2ccc(N)cc2)C1	2106779695	QNUZPLLSJCCNEO-ZIAGYGMSSA-N	363.458	2.409	10	10	FECE	
CN(CC1CN(C(=O)OC(C)(C)C)C1)c1cc2c(cc1N)NC(=O)CC2	2106809349	FNMQHXMKMVKKHO-UHFFFAOYSA-N	360.458	2.457	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccc(N)cc2)[C@@H]2CC[C@@H]21	2112103144	YTAIVRSSJKXYEF-CVEARBPZSA-N	360.458	2.291	10	10	FECE	
CCCS(=O)(=O)CCN(C)Cc1c(O)cccc1Br	2114148304	QIBHEXBKNDTFPW-UHFFFAOYSA-N	350.278	2.411	10	10	FECE	
CN(C)c1ccc(OC[C@@H](O)CCN2C(=O)c3ccccc3C2=O)cc1	2211924794	DJHZARNIQXUWMC-HNNXBMFYSA-N	354.406	2.179	10	10	FECE	
CN(C)C[C@H]1COC[C@H]1NCc1cc(Cl)cc(Br)c1O	2206378295	MPUMSQYCDYMOFN-GXFFZTMASA-N	363.683	2.474	10	10	FECE	
CC(C)(C)OC(=O)NCCCN(CCO)c1ccc2c(c1)OCCO2	2255088979	JESZHVICEFLACL-UHFFFAOYSA-N	352.431	2.171	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCC(F)F	2258212789	OHAWMBCZCAPOIE-JTQLQIEISA-N	361.341	2.342	10	10	FECE	
CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1ccc2c(c1)C(=O)NC2=O	2297512561	SWQYQAAUXGWTKJ-UHFFFAOYSA-N	364.336	2.428	10	10	FECE	
CN(Cc1cccnc1)C[C@H]1CCN(C(=O)C=Cc2ccc(O)c(O)c2)C1	2310454961	RVYNIKZZXDQZQV-GOSISDBHSA-N	367.449	2.487	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N[C@H](C(=O)O)c1ccccc1	2311968619	LOCXXGUEJWPMFT-FQEVSTJZSA-N	366.417	2.479	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCN(CCOC)[C@H](C)C2)cc1	172328348	NUOAZGWWXXULKR-QGZVFWFLSA-N	362.518	2.395	10	10	FECE	
Cc1cc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c(C)n1-c1ccccn1	173806517	PBJJFDWGMKNUJP-HNAYVOBHSA-N	368.481	2.282	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cnn2c1CCCC2	128188843	HENCXLMITBTNNF-UHFFFAOYSA-N	368.481	2.358	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)C3[C@@H]4CCCC[C@@H]34)cc2)CC1	188118061	TWCRJNBWURJGFP-RTBURBONSA-N	355.482	2.408	10	10	FECE	
CN(C(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)c1ccc(N)cc1	2163028170	AVWPBIDVTLZXEZ-CALCHBBNSA-N	374.485	2.315	10	10	FECE	
CO[C@]1(CN[C@@H](C)c2cc3c(cc2O)CCCC3)CCS(=O)(=O)C1	903365391	MUQQKWBYUSLSQJ-UGSOOPFHSA-N	353.484	2.125	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)N3CC[C@H]3C3CC3)CC2)cc1	837989505	SJVOCMDIIBHRIG-IBGZPJMESA-N	358.486	2.011	10	10	FECE	
O=C(NCc1c(O)ccc2c1CCCC2)c1coc2c1C(=O)NCCC2	907058846	BBDMFJOBFJHTFM-UHFFFAOYSA-N	354.406	2.470	10	10	FECE	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CNC(=O)N3)c2C)cc1C	732360511	LFECRJWVLCJVKW-QGZVFWFLSA-N	369.421	2.118	10	10	FECE	
O=C1NCCC2(CCN(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)O1	914180867	YRPYOVADPXJKSZ-UHFFFAOYSA-N	372.469	2.461	10	10	FECE	
C[C@H](NC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1)c1ccc(N(C)C)cc1	849574868	ARUHOXIXRWOTIL-RYGJVYDSSA-N	369.513	2.399	10	10	FECE	
O=C(NCc1c(O)cccc1F)[C@@H](C[C@@H]1COCCO1)C(F)(F)F	928713064	ZRYFXBWBSJSRLR-MWLCHTKSSA-N	351.296	2.132	10	10	FECE	
COc1ccc(N2CCN(C(=O)COC(=O)[C@@H]3CCC3(C)C)CC2)cc1	850067315	DZKZZMDHKVNMRO-KRWDZBQOSA-N	360.454	2.323	10	10	FECE	
CCN(C)c1ccc(CN2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1	856556730	RFUFYZJSVOHQKC-VQTJNVASSA-N	352.482	2.493	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H](CC3CCC3)NC(C)=O)C2)cc1	855223346	FWTVRZLDLGZCBL-QFBILLFUSA-N	359.470	2.085	10	10	FECE	
C[C@@H](N[C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Cl)cc1O	858489704	JZLAXAOWCAHWMF-YPMHNXCESA-N	358.833	2.413	10	10	FECE	
CCO[C@@H](CS(=O)(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C1CC1	859216983	IHLHPNITUTYISH-QAPCUYQASA-N	368.499	2.008	10	10	FECE	
CCOC(=O)[C@@H]1CSCCN1Cc1ccc(N2CCOCC2)cc1	768227797	JODKWMSTQQEOLY-KRWDZBQOSA-N	350.484	2.004	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ncccc3NC(C)=O)C2)cc1	869230165	FZEHYWYUGRJKNH-AWEZNQCLSA-N	354.410	2.057	10	10	FECE	
COc1ccccc1CCN(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1	785421155	BWDKWMDRLVCVLW-UHFFFAOYSA-N	369.465	2.079	10	10	FECE	
COc1cc(NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)ccc1O	797820362	UJCCUWNQELQJGY-UHFFFAOYSA-N	368.802	2.206	10	10	FECE	
C[C@@H](NC(=O)Nc1nccc(N(C)C)n1)c1ccc(N2CCOCC2)cc1	797641036	GNKJIDSCYUBHTH-CQSZACIVSA-N	370.457	2.262	10	10	FECE	
C[C@H](NC(=O)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O	1352844924	LCGDIJPTTWWXGQ-DJJJIMSYSA-N	364.442	2.331	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1Cc2cccc(O)c2C1	1331937913	OIIRORMOUPPGSZ-UHFFFAOYSA-N	367.449	2.349	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC(=O)N(C)[C@H](C)C2)cc1	1330005360	YZJUNTQNTAFNFO-OAHLLOKOSA-N	367.449	2.138	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@]3(C)CC(C)=NO3)cc2F)CC1	1352971111	YXEXFSZTIZVFMF-IBGZPJMESA-N	362.449	2.139	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cccc(O)c3F)cc2)C1	1630738485	OJFVRPLWBVDRKS-CQSZACIVSA-N	371.412	2.163	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@H]4C[C@H](C)CN4C3)CC2)cc1	1631277232	MSPKXMPQOQCJDK-SCTDSRPQSA-N	357.498	2.464	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C1=CN(C)S(=O)(=O)N=C1C	1634011970	ATMVXIJOOCKLSP-UHFFFAOYSA-N	365.455	2.056	10	10	FECE	
CCN(CC)c1ccc(Cn2c(C)nnc2N(C)CCC(=O)NC)cc1	1728380930	KWFQIIUTALAPAS-UHFFFAOYSA-N	358.490	2.053	10	10	FECE	
CN1C(=O)C[C@H](C(=O)NCc2c(O)cccc2O)[C@H]1c1ccc(F)cc1	1645363516	YLGHYYLSAQDCFT-SCLBCKFNSA-N	358.369	2.073	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCC[C@@H]1CN=[N+]=[N-])[C@@H]1CCOC1	2124506747	AJGXIIPUUCZBDD-MCIONIFRSA-N	367.450	2.465	10	10	FECE	
COC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1ccccc1O	1968793181	VTQHJQPDUZNMPV-JSGCOSHPSA-N	352.431	2.451	10	10	FECE	
Nc1ccc(OCC(=O)N[C@@H]2CCN(C(=O)OCc3ccccc3)C2)cc1	1999121790	BGSXJUJNHQBOJT-QGZVFWFLSA-N	369.421	2.175	10	10	FECE	
CCN(c1ccc(CNC)cc1Br)[C@@H]1CCS(=O)(=O)C1	387279391	VCRSGKZDQFUOGU-GFCCVEGCSA-N	361.305	2.182	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COCC[C@@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2060633915	SWNKKFLZQYXJBW-STQMWFEESA-N	353.423	2.218	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2060616489	BCGQTVLWCQEBEU-QWHCGFSZSA-N	353.423	2.170	10	10	FECE	
CN1CCc2cc(CN[C@@H]3COCC[C@H]3NC(=O)OC(C)(C)C)ccc21	2092390147	HWXSEVYIDWWOBU-IAGOWNOFSA-N	361.486	2.451	10	10	FECE	
CN1CCc2cc([C@H](N)[C@]3(O)CN(C(=O)OC(C)(C)C)CC34CC4)ccc21	2236362322	WWJWNMBOUWIOOT-LAUBAEHRSA-N	373.497	2.441	10	10	FECE	
C[C@@H]1CC[C@@H](S(C)(=O)=O)CN1c1ccc(CN)cc1Br	2279326874	CYFAJHUEEPAAHI-ZYHUDNBSSA-N	361.305	2.310	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@H](N=[N+]=[N-])C2)C[C@H]2OCCC[C@H]21	2272773473	KZBWWSNNNRQPJW-SFDCBXKLSA-N	365.434	2.360	10	10	FECE	
CCOc1c(/C=C2/SC(=S)N(CC(=O)O)C2=O)cccc1OC	59282204	VZODGZACDXCZMB-YRNVUSSQSA-N	353.421	2.380	10	10	FECE	
COC(=O)c1ccc(CN(C)C(=O)CN(C)Cc2ccccc2O)cc1	171937150	OBYALUFJAVFWRM-UHFFFAOYSA-N	356.422	2.269	10	10	FECE	
COc1cccc(CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)c1O	73794014	PKERAGHZIQMAPS-QGZVFWFLSA-N	357.454	2.373	10	10	FECE	
O=C(NCCCCN1CCOCC1)NCc1ccc(N2CCCC2)cc1	49364682	PLAYTZGYIUXSEZ-UHFFFAOYSA-N	360.502	2.198	10	10	FECE	
c1cc(N2CCOCC2)ccc1CN1CCCC[C@@H]1CN1CCOCC1	93011535	MBLSPWOMIBNLFP-OAQYLSRUSA-N	359.514	2.210	10	10	FECE	
COc1ccc(N(CC(=O)N2CCC[C@@H](C(N)=O)C2)[C@@H](C)C2CC2)cc1	247193647	VQTHNBVBKSDHMW-GOEBONIOSA-N	359.470	2.024	10	10	FECE	
NC(=O)c1ccc(CC(=O)NCc2cc(Br)ccc2O)cc1	804736928	FHGRLDXJXBWAFH-UHFFFAOYSA-N	363.211	2.113	10	10	FECE	
CCS(=O)(=O)N(C)C1CCN(Cc2cc(Cl)c(F)cc2O)CC1	295506389	YVMOMRPZXIQCCM-UHFFFAOYSA-N	364.870	2.431	10	10	FECE	
COc1ccc(C(=O)NCC(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1	728979746	LMKRXFXCUWNGJZ-LBPRGKRZSA-N	358.394	2.017	10	10	FECE	
C[C@H]1Oc2ccc(C(=O)O)cc2N(OCCCOc2ccc(N)cc2)C1=O	821299734	NFHCGSRNDGRYRM-GFCCVEGCSA-N	372.377	2.482	10	10	FECE	
COc1ccc(OCC(F)(F)C(F)F)c(C(=O)OCC(=O)C(C)=O)c1	821119442	WXYBDBDHSVBARJ-UHFFFAOYSA-N	366.263	2.289	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@H](C)c1cscn1	829678575	MZUQAODLTDYTTE-UONOGXRCSA-N	374.510	2.442	10	10	FECE	
Cc1cc(C(=O)COC(=O)[C@H]2CCC(=O)NC2)c(C)n1-c1ccc(F)cc1	919340351	OGGSZEBOTVCEHY-AWEZNQCLSA-N	372.396	2.485	10	10	FECE	
COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C/C=C\c1ccc(N(C)C)cc1	835028321	GZGTUMICDRBVPL-KGVQNFEKSA-N	372.465	2.191	10	10	FECE	
Nc1ccc(CCNC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](N)C2)cc1	841956159	XAKHOSPCQGWXMQ-RBUKOAKNSA-N	356.445	2.477	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)[C@@H](O)c3ccccc3OC)C2)cc1	911277037	RKPHDHFWMCEBMY-QRWLVFNGSA-N	370.449	2.380	10	10	FECE	
C[C@H](NC(=O)N[C@H](CC1CCOCC1)C(=O)O)c1ccc(N(C)C)cc1	929046505	WEPCJUDFUPAWJP-SUMWQHHRSA-N	363.458	2.383	10	10	FECE	
O=C(NCc1cc(NC(=O)[C@H]2CCSC2)ccc1O)[C@H]1CCSC1	923120129	QOWDQFHEQMGJSU-RYUDHWBXSA-N	366.508	2.453	10	10	FECE	
Cn1nnc2c1C[C@@H](NCc1ccc(N3CCCCC3)c([N+](=O)[O-])c1)CC2	922995935	HYQXHQINCWQIOX-HNNXBMFYSA-N	370.457	2.361	10	10	FECE	
COc1ccc(N2CCN(CCCNCc3ccnc(O)c3)CC2)cc1	921505975	HSQGRWCDRKLHIN-UHFFFAOYSA-N	356.470	2.098	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H](OC)c3ccc(O)cc3)C2)cc1	855228027	UEACXFCBXQJSCD-BEFAXECRSA-N	356.422	2.483	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3nnc4ccccc4c3O)C2)cc1	855230326	GGBHWUHALWOHEO-ZDUSSCGKSA-N	364.405	2.353	10	10	FECE	
CC(C)O[C@@]1(CNCc2ccc(N3CCOCC3)c(F)c2)CCOC1	922611323	ATVIZOCDKRQCPY-LJQANCHMSA-N	352.450	2.336	10	10	FECE	
C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@H](C(F)(F)F)O1	761908807	UWRNDPBAKKLIHS-KRTXAFLBSA-N	361.276	2.082	10	10	FECE	
CO[C@H](C(=O)O)C1CN(Cc2cc(Cl)cc(Br)c2O)C1	1875983019	XBSMHWIKZRNNNO-LBPRGKRZSA-N	364.623	2.340	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CSCC(=O)OC(C)(C)C	773760479	IRFADMODMQIFHI-LLVKDONJSA-N	355.456	2.220	10	10	FECE	
C[C@@H]1CO[C@@H](C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1	888290042	WIXWCGHRVOZUBP-UYAYXHRUSA-N	350.434	2.481	10	10	FECE	
C[C@@H](N[C@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(N(C)C)cc1	783537271	WJJOFDIJPPARLN-QAPCUYQASA-N	355.486	2.328	10	10	FECE	
C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N(C)CCCO	799364282	CVHXFFPNDINJMR-ZDUSSCGKSA-N	366.417	2.103	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H]1C(C)(C)C1(F)F	1328959857	SXALQTCMSORJQH-AWEZNQCLSA-N	353.413	2.085	10	10	FECE	
CN(C)c1ccc(CNC(=O)C2(N)CCN(Cc3ccccc3)CC2)cc1	692764938	MOTVRZSAOVKQPC-UHFFFAOYSA-N	366.509	2.362	10	10	FECE	
C[C@@H]1COCC[C@H]1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	1342766205	GIIZOTWZORCFJS-VQIMIIECSA-N	373.497	2.177	10	10	FECE	
COC(=O)C1(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC(CO)C1	1351080444	APVAUDUZCHESDV-UHFFFAOYSA-N	374.412	2.277	10	10	FECE	
O=C(C1=C2CCCN=C2NN1)N(Cc1ccco1)Cc1ccccc1O	1294670737	AOZGKSZPSHGIAH-UHFFFAOYSA-N	352.394	2.068	10	10	FECE	
CN1C(=O)COc2ccc(C(=O)Nc3c(Cl)ccc4nonc34)cc21	1520359334	MBHQGQNTPSKBDJ-UHFFFAOYSA-N	358.741	2.484	10	10	FECE	
CC[C@@](C)(NC(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2)C(N)=O	1538737022	MKTDJSQBBXQPOA-HXUWFJFHSA-N	357.454	2.299	10	10	FECE	
Cc1nc(-c2ccn(C)n2)sc1CC(=O)NCc1ccc(O)cc1O	1469158884	GQVYHDWRNXXWBC-UHFFFAOYSA-N	358.423	2.122	10	10	FECE	
CCn1ccnc1[C@H]1OCC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	1615273363	FOEMPNCQFGSMRT-YJBOKZPZSA-N	370.453	2.472	10	10	FECE	
COCC[C@@](C)(O)Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1O	1712327823	WWCQRSKTXOTITH-HXUWFJFHSA-N	374.485	2.360	10	10	FECE	
O=C(Cn1ccc(Br)cc1=O)NCc1cc(Cl)ccc1O	1639968710	LPSOBZXDXOIPFK-UHFFFAOYSA-N	371.618	2.286	10	10	FECE	
C=C/C=C/CCNC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1	1636994775	ASBPLFLVESPOSH-RUZVOTRSSA-N	369.465	2.149	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C[C@@H]2OCC[C@@H]21	2124503158	IDFTWZSDDAKGLN-RFGFWPKPSA-N	365.434	2.312	10	10	FECE	
CC1(C)CC[C@H](CCNC(=O)c2cc(NS(C)(=O)=O)ccc2O)OC1	1598194661	XCFFTUVRIZMWME-CYBMUJFWSA-N	370.471	2.089	10	10	FECE	
CC[C@@H](CN1CCOCC1)NC(=O)NCc1c(O)ccc2c1CCCC2	1687658280	MTCSFZXXNGMKPZ-INIZCTEOSA-N	361.486	2.181	10	10	FECE	
COc1ccnc(N2CCN(Cc3cc4c(cc3O)CCCC4)CC2)n1	159918989	RBFBRSQEXRCRPQ-UHFFFAOYSA-N	354.454	2.392	10	10	FECE	
O=C(NN1C(=O)/C(=C\c2ccccn2)SC1=S)c1ccc(O)cc1	1744805	YYAZQORGWXMFGF-UKTHLTGXSA-N	357.416	2.333	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CNCc1cc2c(cc1O)OCO2	1973716615	ZMRQXKNKGJCEDG-RYUDHWBXSA-N	350.415	2.371	10	10	FECE	
CS(=O)(=O)[C@@H]1CC[C@@H](NCc2cc(Br)cc(F)c2O)C1	2145392662	PNPREPXWFHVLRJ-GHMZBOCLSA-N	366.252	2.349	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(CNCc2ccc(O)c(O)c2O)C1	2031659913	IKSSWNBNEUWXEK-XIKOKIGWSA-N	350.415	2.150	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC=CCN2CC(=O)Nc2ccc(N)cc2)C1	2163024583	SBDHBHWYRGKKJE-UHFFFAOYSA-N	372.469	2.459	10	10	FECE	
O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccc(O)c(O)c1	391110175	YIRUPTFFUBPSQM-QGZVFWFLSA-N	356.422	2.119	10	10	FECE	
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1cc(Br)c(CN)cc1F	2170629990	HUAZBJBWVYFEGJ-IUCAKERBSA-N	367.284	2.305	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CC(=O)C(=O)C[C@H]1C[C@H](N)C1)C(F)(F)F	1908661020	DWMNKCXDORHCLJ-AUTRQRHGSA-N	352.353	2.098	10	10	FECE	
CN1CCc2cc([C@H](CN)N3CCN(C(=O)OC(C)(C)C)[C@H]4C[C@H]43)ccc21	2194988411	NAPQJIURUJTNDU-QYZOEREBSA-N	372.513	2.372	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H](N=[N+]=[N-])C1)[C@H](O)C(C)(C)C	2072691514	ZRXRQUAFNPAYIV-SRVKXCTJSA-N	355.439	2.198	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1	2073948252	ZMOCQHLUYKTGHW-XQQFMLRXSA-N	353.423	2.218	10	10	FECE	
Cn1nc(Br)cc1S(=O)(=O)Nc1ccc(O)cc1Cl	2089755092	SEOPXIHCNJZQOS-UHFFFAOYSA-N	366.624	2.342	10	10	FECE	
CC(C)(C)OC(=O)NCCc1nc(=NCc2ccc(F)cc2O)s[nH]1	2222332981	HENLDSCGDRRMJX-UHFFFAOYSA-N	368.434	2.484	10	10	FECE	
C[C@H]1C[C@H](N(C)C(=O)C=Cc2ccc(N3CCOCC3)cc2)CCN1C	2297638040	LOZMJZCDJZSVCA-FXAWDEMLSA-N	357.498	2.478	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@]12C[C@](NC(=O)OC(C)(C)C)(C1)[C@@H](C)O2	2315989452	QQWJOUMVNMVQNW-HFBAOOFYSA-N	353.423	2.360	10	10	FECE	
CN1CCc2cc(CNCc3cccc([C@@]4(C)NC(=O)NC4=O)c3)ccc21	178898015	UNPRUWZKUQWMRH-OAQYLSRUSA-N	364.449	2.023	10	10	FECE	
O=C(NCc1cccc(O)c1O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1	1352657347	DJYQLWPXYMMRMX-HNNXBMFYSA-N	372.396	2.406	10	10	FECE	
CC[C@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CCN1C[C@@H](C)O	174593169	BZXLFWVLVRATAZ-AEFFLSMTSA-N	370.497	2.406	10	10	FECE	
O=C(NC1CC1)c1ccc(N2CC[C@@H](NCc3ccccc3O)C2)nc1	65256989	OFYZMNBRUFOWMP-QGZVFWFLSA-N	352.438	2.048	10	10	FECE	
C[C@@H](CN[C@@H](C)c1ccc(N2CCC(O)CC2)cc1)CN1CCN(C)CC1	120801213	OMLGRDPVWUMDHR-OALUTQOASA-N	374.573	2.182	10	10	FECE	
O=S1(=O)CCC[C@H](N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	245980591	BABHYQLWGOHDSF-KBPBESRZSA-N	374.453	2.424	10	10	FECE	
CN(C(=O)c1ccnc2c1CC(=O)N2)c1ccc(C(=O)NC(C)(C)C)cc1	616261131	BNQYCJMDCRZMQI-UHFFFAOYSA-N	366.421	2.381	10	10	FECE	
CCCC[C@H](NC(=O)NCC)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	274886748	BZVWEDZPOUGEJS-JSGCOSHPSA-N	351.447	2.023	10	10	FECE	
CS(=O)(=O)NCC1CCN(Cc2ccc(N3CCCCC3)cc2)CC1	289085490	BEBLUBUUZNSMCQ-UHFFFAOYSA-N	365.543	2.438	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)Cc1ccc(Cl)nc1	807099239	ONNBYOMQEDLUDJ-UHFFFAOYSA-N	374.872	2.384	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1nnn(C(C)C)c1C	819699042	WKUKAJYWTOMSHO-UHFFFAOYSA-N	360.414	2.079	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)NCCc2nc[nH]n2)CCCC1	651390047	NLOMXHIXFVIFQS-UHFFFAOYSA-N	353.426	2.006	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)NCc2nc(COC)n[nH]2)cc1	821178819	ZOBSDCDBBJVZKD-UHFFFAOYSA-N	360.462	2.139	10	10	FECE	
COC(=O)[C@@H]1COCCN1C(=O)Cc1cc(C)n(-c2ccccc2)c1C	829498710	DQVMVYHNAUQUOG-SFHVURJKSA-N	356.422	2.037	10	10	FECE	
COc1cccc(CN2CC(C)(c3nnc(C4CCOCC4)o3)C2)c1O	828036635	VKDDPAOISPHPHQ-UHFFFAOYSA-N	359.426	2.451	10	10	FECE	
CN1C(=O)C(C)(C)c2cc(C(=O)NCCc3ccc(O)c(O)c3)ccc21	830531597	KVNIHIJHLVJNGY-UHFFFAOYSA-N	354.406	2.324	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCC(C(=O)N3CCOCC3)CC2)cc1	835024991	FJPRUVZSQVVEMX-ONEGZZNKSA-N	357.498	2.337	10	10	FECE	
CC1(C)COC[C@@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	836639016	LKUJFFGPSZBCPV-KRWDZBQOSA-N	365.449	2.011	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H]([C@@]2(C)COC(=O)N2)C1	919068701	ARNFVUPWSAXMNX-OXJNMPFZSA-N	374.485	2.481	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H](O)c3ccccc3OC)C2)cc1	912292013	GLVNIGMZQMRTKZ-IFXJQAMLSA-N	356.422	2.132	10	10	FECE	
COc1cc(Br)cc([C@H](C)NC[C@@]2(C)CCC(=O)N2)c1O	848552107	HETPSYVIAKGIFQ-BJOHPYRUSA-N	357.248	2.483	10	10	FECE	
C[C@H](NC(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)c1ccccc1O	913763574	KPCOPSJLMSFRIF-CXMBCZLWSA-N	369.339	2.380	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)c1ccnc(S(C)(=O)=O)n1	848044953	AVZLUNBXAKYRHA-UHFFFAOYSA-N	363.439	2.028	10	10	FECE	
COC[C@@H]1C[C@@H](O)CN1C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C	846434368	MLHJMEFVCIBXAS-DLBZAZTESA-N	358.438	2.325	10	10	FECE	
CN(C)c1ccc(CNC(=O)[C@H](C[C@@H]2COCCO2)C(F)(F)F)cc1	854271661	OUUXZSBSQOUZDD-CABCVRRESA-N	360.376	2.353	10	10	FECE	
CCOC(=O)C1CCC(O)(C[C@@H](O)CN(C)Cc2ccccc2O)CC1	929975447	HKTJAAGKYWEOMD-RYZJOYRSSA-N	365.470	2.059	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCO[C@@](C)(C(F)F)C3)C2)cc1	852450008	FEJWNRNVOKDXEJ-FZKQIMNGSA-N	369.412	2.340	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@]1(C)Oc2ccccc2NC1=O	935943841	GDZZPQLUPMDLCG-LJQANCHMSA-N	361.394	2.284	10	10	FECE	
C[C@@H]1C[C@@]2(CCO1)C[C@@H]2C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	759653786	NIAQMWSDLHMRDJ-FPDPHYFHSA-N	374.481	2.459	10	10	FECE	
O=C(COCC(F)F)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	860534658	KFCLMRZBYKYJHB-UHFFFAOYSA-N	367.440	2.117	10	10	FECE	
CN(C)c1ccc(CNCC(=O)N2CCN(Cc3ccccc3)CC2)cc1	71122526	IUUSNLZKSKGVPP-UHFFFAOYSA-N	366.509	2.187	10	10	FECE	
c1cc(CNCc2ccc(N3CCOCC3)cc2)nc(N2CCOCC2)c1	775365933	PPTXSFPRTQNTKS-UHFFFAOYSA-N	368.481	2.045	10	10	FECE	
COC(=O)[C@H](CNC(=O)c1ccc(C)c(O)c1O)Cc1cccc(F)c1	780933850	RCDWSJPYPIEEEY-ZDUSSCGKSA-N	361.369	2.307	10	10	FECE	
CN(C)c1ccc(CNC(=O)NC[C@@]2(O)[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)cc1	783656940	PSLDPIGTGNNDSN-BYPXELQWSA-N	367.493	2.061	10	10	FECE	
C[C@](NC(=O)c1cc2cc(O)c(O)cc2s1)(C(N)=O)c1ccccc1	1149908863	OZTRIQCYOFUTRF-GOSISDBHSA-N	356.403	2.443	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1ccc(S[C@@H]2CCOC2=O)cc1	1156885509	HRISAUZDAGCZOM-MRXNPFEDSA-N	359.403	2.435	10	10	FECE	
C[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@@H](c2ccsc2)O1	1329414796	XFWJBUZRXXIWDR-SJCJKPOMSA-N	372.446	2.285	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H]2CCCCN12	1299699636	VGPZGEITIRTKSX-SJORKVTESA-N	360.454	2.301	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)cc1	1294554471	DYIBFEPLQZBCSR-HZPDHXFCSA-N	359.430	2.222	10	10	FECE	
O=C(CNC(=O)c1c(F)ccc(O)c1O)OCc1ccc(Cl)cc1	1457730509	ONFATJKPBINKNQ-UHFFFAOYSA-N	353.733	2.364	10	10	FECE	
CO[C@@]1(Cn2c(CC3CC3)nnc2N(C)Cc2ccccc2O)CCOC1	1554722924	MFDTXCUOBCRHEL-HXUWFJFHSA-N	372.469	2.378	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CC2)n1CCC1(O)CCOCC1	1729418662	GYXDHADLAMTPTL-UHFFFAOYSA-N	372.469	2.429	10	10	FECE	
CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1	1567776985	FWHZDHQPTLUBNX-DOTOQJQBSA-N	361.486	2.205	10	10	FECE	
C[C@@H](NC(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1O	1648890036	XDEJPJKGASURSU-VXGBXAGGSA-N	363.414	2.239	10	10	FECE	
Cn1c(C(=O)N2CCC(N=[N+]=[N-])CC2)cnc1CNC(=O)OC(C)(C)C	2124538601	LJGUSFKSCRDQTL-UHFFFAOYSA-N	363.422	2.360	10	10	FECE	
COc1cccc(CNC(=O)N[C@H]2CCCn3nc(C(C)C)nc32)c1O	153732352	BMJNETULUHAXSX-ZDUSSCGKSA-N	359.430	2.450	10	10	FECE	
COc1ccc(-n2nc(C(=O)Nc3ccc(N)cc3)c(=O)cc2C)cc1	1866284956	MBFDWWVRSSIWRQ-UHFFFAOYSA-N	350.378	2.384	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H]1C[C@@H]1F	2136240756	PPVUUAGPPMVFBG-AGIUHOORSA-N	368.405	2.008	10	10	FECE	
CO[C@H](c1ccc(O)c(O)c1)[C@H](NC(=O)OCc1ccccc1)C(=O)O	1952305904	FSFZFMLTOQGLCG-JKSUJKDBSA-N	361.350	2.165	10	10	FECE	
C[C@H](O)c1ccc(N2C[C@@H]3CCS(=O)(=O)[C@H]3C2)cc1Br	2145047617	GJQNPQORTDYJFF-BHDSKKPTSA-N	360.273	2.126	10	10	FECE	
CO[C@]1(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CCN(C(=O)OC(C)(C)C)C1	2060616495	BCVWGMOETOHCCC-MLGOLLRUSA-N	353.423	2.171	10	10	FECE	
COc1ccc(N(C)C[C@@]2(O)COCCN(C(=O)OC(C)(C)C)C2)cc1	2100539983	AWZXHVHOVCWLOO-IBGZPJMESA-N	366.458	2.130	10	10	FECE	
Cc1cccc(O)c1CNCCOCCOCCNC(=O)OC(C)(C)C	2225552645	FCRCNBCUZLFSBD-UHFFFAOYSA-N	368.474	2.348	10	10	FECE	
COc1ccc(Br)c(CN(C)[C@@H](CN)C(F)(F)F)c1O	2236052317	FRRSSVAPTLMKGJ-JTQLQIEISA-N	357.170	2.485	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N1CC[C@@H](N2CCCC2)C1	2297505682	ILTWSWXWRUWDGB-HXUWFJFHSA-N	355.482	2.233	10	10	FECE	
CCOC(=O)[C@@H]1CCCN(C(=O)C=Cc2ccc(N3CCOCC3)cc2)C1	2300751634	DOIZZWNOWUFOKD-GOSISDBHSA-N	372.465	2.338	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CCO2	2315991870	DOTMSFPKVUBYEN-LRDDRELGSA-N	353.423	2.171	10	10	FECE	
COc1ccc(O)c(CNC(=O)CCc2nc(-c3ccncc3)no2)c1	114543163	DDRUPBCDBXENID-UHFFFAOYSA-N	354.366	2.095	10	10	FECE	
[N-]=[N+]=NCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12	252485974	HGHJIFNOKMTXHY-SGMGOOAPSA-N	354.480	2.309	10	10	FECE	
Cc1cc(C)n(C[C@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCO2)n1	122575073	MHUOMEPGUDFJBN-OAQYLSRUSA-N	370.497	2.238	10	10	FECE	
Cc1ccc(NC[C@H](O)[C@H](O)[C@H](O)CO)c(N=Nc2ccccc2)c1C	253960910	BVMBLTCSAVCYFW-SCTDSRPQSA-N	359.426	2.206	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CCN(CC(=O)Nc3ccc(N)cc3)C[C@@H]2C1	2163047567	ISRXIPJSGXFSLV-HUUCEWRRSA-N	374.485	2.396	10	10	FECE	
COC(=O)c1cnccc1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1	298553100	FBTLICHEINLYQZ-QPJJXVBHSA-N	367.405	2.357	10	10	FECE	
O=C(NCc1cccc(Br)c1O)N[C@@H]1CCc2nc[nH]c2C1	811950647	JQUFFGJHVWQPGX-SNVBAGLBSA-N	365.231	2.235	10	10	FECE	
CC[C@H]1[C@H](NC(=O)c2cc(O)c(O)c(O)c2)CCN1C(=O)OC(C)(C)C	2132413137	KIWHTINOFKFGNN-NEPJUHHUSA-N	366.414	2.321	10	10	FECE	
C[C@H](C(=O)NC1CCCC1)N1CCN(Cc2cc3c(cc2O)CCC3)CC1	728906177	RKZKEMHCRZWRMU-MRXNPFEDSA-N	371.525	2.446	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N(C)[C@H]3CCN(C4CC4)C3)C2)cc1	824692506	DTCYEVBIXTZSRG-LPHOPBHVSA-N	372.513	2.400	10	10	FECE	
O=Cc1c(Br)nc2n1CCO/C2=C/c1cnn(CC(F)F)c1	901574846	IRWKTBILPFVVGY-XCVCLJGOSA-N	373.157	2.448	10	10	FECE	
CON1CCC(CC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1	823834865	OVQZIGVDYCSGGF-MRXNPFEDSA-N	361.486	2.364	10	10	FECE	
COc1ccc(N2CCCN(S(=O)(=O)[C@@H]3CCO[C@@H](C)C3)CC2)cc1	830124719	MOKNUBNTEHXNGU-MAUKXSAKSA-N	368.499	2.105	10	10	FECE	
Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c(C)n1-c1ccccn1	834336025	AJNXSJDWLQKJPX-YQVWRLOYSA-N	369.465	2.491	10	10	FECE	
O=C(O)c1cnn2c(O)cc(CN3CC[C@H](Cc4ccccc4)C3)nc12	738701599	DJWGHLPHLHHYTI-CQSZACIVSA-N	352.394	2.198	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCO[C@H]1CC1(F)F	852529064	DCBZDTZWAZKBQF-INIZCTEOSA-N	369.412	2.089	10	10	FECE	
Cc1cc(C(=O)CN(C)CC(C)(CO)CO)c(C)n1-c1ccc(F)cc1	759166265	FUNPJJRIRXJOBM-UHFFFAOYSA-N	362.445	2.339	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC[C@@H](C2CCNCC2)C1	852754567	VSERPPKCOMNQHN-HXUWFJFHSA-N	372.557	2.423	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2O)c2ncnn21	852476519	IZAFWUALYIGQDY-GZMMTYOYSA-N	366.219	2.251	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CNC[C@@H]3CCCC34CC4)CC2)cc1	863588328	KQZQVKFAMQOGQY-ICSRJNTNSA-N	373.541	2.348	10	10	FECE	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCCCC(N)=O)cc1	779617231	ARTMNYOQPZSXJW-SFHVURJKSA-N	361.486	2.306	10	10	FECE	
O=C(NCC(=O)N1Cc2cccc(O)c2C1)c1ccccc1OC(F)F	1302788100	TUUHJGYQCVBJHD-UHFFFAOYSA-N	362.332	2.266	10	10	FECE	
CCOC(=O)C(C)(C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1158716340	AXNQRJNVRQPDGT-KRWDZBQOSA-N	363.502	2.451	10	10	FECE	
COC(=O)CCN(Cc1cc(Cl)cc(C(C)=O)c1O)CC(OC)OC	1169163217	LBOQBXBOVDRDNE-UHFFFAOYSA-N	373.833	2.232	10	10	FECE	
C[C@H](NC(=O)C(=O)NCCC1CC=CC1)c1ccc(N2CCOCC2)cc1	1335548022	WAQOHPBQDSVRGV-INIZCTEOSA-N	371.481	2.173	10	10	FECE	
Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1	1350932707	HHDKGKZGOMIMHD-UHFFFAOYSA-N	374.372	2.204	10	10	FECE	
CC1(C)C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CCS1(=O)=O	1456566404	ZFFZJUDRDSMHME-SNVBAGLBSA-N	369.464	2.398	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)c1ccnc2[nH]c(CC3CC3)nc12	1545669022	GQLCTFROVUDLRG-UHFFFAOYSA-N	352.394	2.294	10	10	FECE	
Cc1c(Br)cnn1CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	1556157671	HLIGEYBFHPOTIB-VIFPVBQESA-N	368.231	2.113	10	10	FECE	
C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NCc1c(O)ccc2ccccc12	1635965222	RFCZLHNJNFTGBW-ORAYPTAESA-N	370.449	2.217	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C	2124351391	XVERSWYUEZXZEM-YUELXQCFSA-N	364.442	2.451	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3cnc(NC4CC4)s3)cc2)CC1	1644526582	PNJQWQZSQRUICU-UHFFFAOYSA-N	371.510	2.399	10	10	FECE	
COc1ccc(C(=O)NCc2cccc(Cl)c2O)cc1S(C)(=O)=O	1648606510	RFTPBHRPZUGSFT-UHFFFAOYSA-N	369.826	2.388	10	10	FECE	
Cn1ncc(C(=O)NCC2(CN=[N+]=[N-])CC2)c1CNC(=O)OC(C)(C)C	2124504430	YSXDGQYBKZFQOK-UHFFFAOYSA-N	363.422	2.265	10	10	FECE	
O=C(NCc1c(O)cccc1F)c1cc(Br)cn2ncnc12	1596916907	QLSRZUAZNUZCJM-UHFFFAOYSA-N	365.162	2.267	10	10	FECE	
Cn1ncc(CNC(=O)OC(C)(C)C)c1NC(=O)c1cccc(O)c1O	2126442000	VOTUDWNNAKKDEO-UHFFFAOYSA-N	362.386	2.108	10	10	FECE	
CCN(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCOCC2)cc1	1764720843	LSFXNDJRNCYTEL-KRWDZBQOSA-N	371.485	2.123	10	10	FECE	
CCOC(=O)c1ccccc1NC(=O)CN1C(=O)[C@H](C)SC1=S	11635531	IXNJSLLRYVGLRQ-VIFPVBQESA-N	352.437	2.051	10	10	FECE	
Cc1c(OCC(=O)N2CCCCC2)c(=O)ccn1Cc1ccc(N)cc1	1857917890	PQOBCBNISUUKJQ-UHFFFAOYSA-N	355.438	2.179	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2ccccc2O)CCCOC1	1969154961	SKHOYSFDYQOHAR-GOSISDBHSA-N	350.415	2.082	10	10	FECE	
CO[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1ccccc1O	1969155158	UVFXNLWZAVAFBD-HOCLYGCPSA-N	364.442	2.280	10	10	FECE	
COCCOCCN(CC(=O)N(C)c1ccc(N)cc1)Cc1ccccc1	2152224316	WOXDOGNAYBYJGK-UHFFFAOYSA-N	371.481	2.397	10	10	FECE	
CN1CCc2cc([C@@H](CN)N3C[C@@H]4C[C@H](C3)N4C(=O)OC(C)(C)C)ccc21	2194543019	IIIVNJGBPBKNIX-ZIFCJYIRSA-N	372.513	2.372	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)C(=O)C[C@H]3C[C@H](N)C3)C[C@@H]21	2049783035	QCFGFWCEQSTBIY-RODWMJHOSA-N	350.459	2.191	10	10	FECE	
C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)c1ccc(O)cc1O	2063340777	DMOVVTPIJYNIHC-GLQYFDAESA-N	352.431	2.119	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C(=O)N2CCC(N=[N+]=[N-])CC2)C1	2073948048	YCPLQHBMZBOQCK-QWHCGFSZSA-N	353.423	2.360	10	10	FECE	
C[C@H](NC[C@H]1CN(C)CCN1C(=O)OC(C)(C)C)c1cc(O)ccc1O	2098264516	YTIIVRGZUAJCCL-KBPBESRZSA-N	365.474	2.300	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CN(CC(=O)Nc1ccc(N)cc1)C2	2201358291	SOATVEGTIXEXRD-XOBRGWDASA-N	374.485	2.444	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(CNCc2ccc(O)c(O)c2)C1	2229488825	ZNDVGKHJJJGVKV-KUHUBIRLSA-N	364.442	2.213	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C[C@H]2CCC[C@H]21	2260032667	KQYVPWUCQZPNEY-SQLCKSLESA-N	350.459	2.336	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2312334123	MENLOMNZXNJVQS-FVCCEPFGSA-N	353.423	2.216	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@]1(C)C(=O)N1CCc2cc(O)c(O)cc2C1	2341199428	SQRPSMITWNBURN-IBGZPJMESA-N	362.426	2.382	10	10	FECE	
O=C1/C(=C/c2cc(F)cc(F)c2)SC(=S)N1CCN1CCOCC1	179150275	BZEVTUQDFJOELN-ZROIWOOFSA-N	370.446	2.498	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1F	119665046	WCPGKQMHTOOKBC-ZBFHGGJFSA-N	362.449	2.092	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCNC(=O)c1cccs1	186384609	KELFEJDDBHLBRI-GFCCVEGCSA-N	362.451	2.417	10	10	FECE	
C[C@](NCCCN=[N+]=[N-])(C(N)=O)c1ccc(I)cc1	235692282	DCIHQOYDXWGZIA-GFCCVEGCSA-N	373.198	2.282	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1C[C@H]2CC[C@H]1O2	247694392	TTZOATMJBPNZEW-GUDVDZBRSA-N	359.470	2.014	10	10	FECE	
CCNC(=O)C[C@H]1CCCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1	284753893	LPEKFVRCGFHCBZ-LJQANCHMSA-N	374.529	2.092	10	10	FECE	
Cc1cc(CCNC(=O)N[C@@H](C)C(=O)NCCF)c(C)n1-c1ccccc1	800699530	XBDYBCMPMQJJAM-HNNXBMFYSA-N	374.460	2.410	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC[C@@H]1CCOC1	807323530	PEPBSJRCUVFAED-QGZVFWFLSA-N	361.486	2.032	10	10	FECE	
C[C@H](OCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1nccn1C	806823476	VPHRYWPOOSQJKS-DOTOQJQBSA-N	373.453	2.411	10	10	FECE	
CN[C@@H](c1ccc(N(C)C)cc1)c1cn(CCNC(=O)OC(C)(C)C)nn1	2163135439	JRPJQRSQTBTTFZ-KRWDZBQOSA-N	374.489	2.178	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CCCN3CCSC[C@@H]23)c1	903271777	NTAQHLUBRNJNOL-RCBQFDQVSA-N	350.484	2.409	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cncc(OC(C)C)n1	847508363	ZIFNDZTXNLWDNZ-UHFFFAOYSA-N	372.425	2.347	10	10	FECE	
COC(=O)C1CCC(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1	914391743	MTMPTNZEBWFHOD-BZOOQXSSSA-N	368.499	2.465	10	10	FECE	
Cc1cc(Br)cc(CN2CN(CCN(C)C)C(=O)[C@H]2C)c1O	843427993	FEICFMXLDVFPAT-GFCCVEGCSA-N	370.291	2.015	10	10	FECE	
COC(=O)/C(C)=C\CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1	916226589	TZEUZKYLZXRNDA-ZSOIEALJSA-N	361.442	2.083	10	10	FECE	
C[C@H](NC(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)O)c1ccc(N(C)C)cc1	929046987	XECJMQMIPWORNS-VBQJREDUSA-N	363.458	2.383	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3c4ccccc4C[C@@H]3O)C2)cc1	854297319	POVPUSKZFDLUHV-XPGWFJOJSA-N	367.449	2.231	10	10	FECE	
COCCN(CC(F)F)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	852452976	HYECOAAYBGFYCE-ZDUSSCGKSA-N	357.401	2.197	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCC(N3C(=O)O[C@H]4CNC[C@H]43)CC2)cc1	863642923	CPWOWOTUBUYJDR-QZPVUJMKSA-N	370.497	2.023	10	10	FECE	
COCc1n[nH]c(CNC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)n1	862177277	RXLOUZDUMFTRIF-UHFFFAOYSA-N	367.409	2.101	10	10	FECE	
COc1cc(N2CCN(Cc3c(O)ccc4ccncc34)CC2)ncn1	763379935	AKJDBDJNWHFJQX-UHFFFAOYSA-N	351.410	2.061	10	10	FECE	
c1cn2cnnc2c(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1	768527173	DEQLQLXDRAQTIR-UHFFFAOYSA-N	363.469	2.268	10	10	FECE	
CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(O)cc2C(=O)O)ccc1C	776434889	PKXRANVIPWEDFL-UHFFFAOYSA-N	364.379	2.158	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1nnn(C2CC2)c1C(F)(F)F	773761158	NTTIUUICXMIGIA-QMMMGPOBSA-N	370.331	2.404	10	10	FECE	
COc1cnc(F)c(CNCc2ccc(N3CCC(C(N)=O)CC3)cc2)c1	895814823	VFKNAABWBKKINK-UHFFFAOYSA-N	372.444	2.221	10	10	FECE	
Cc1cc(Br)cc(CN(C)C2CC(S(C)(=O)=O)C2)c1O	716084299	SSMMDWQRGYCKRP-UHFFFAOYSA-N	362.289	2.471	10	10	FECE	
C[C@@H](NC(=O)C(=O)NC[C@]1(C)CC1(C)C)c1ccc(N2CCOCC2)cc1	1353742088	PLRVCXNKOPVQHM-VFNWGFHPSA-N	373.497	2.253	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CC(c3ccccn3)=NO2)cc1	1278288095	FZAINUQNCSOYAG-IBGZPJMESA-N	368.437	2.178	10	10	FECE	
C[C@H]1CC[C@H](C(N)=O)CN1c1nnc(-c2sccc2O)n1CC1CC1	1527163493	FTEZMDWKAGYBNZ-JQWIXIFHSA-N	361.471	2.212	10	10	FECE	
Cn1cc(-c2nn(C)cc2NC(=O)c2ccc(N=NC(N)=O)cc2)cn1	1467796058	BXOYTMYMEQLILF-UHFFFAOYSA-N	352.358	2.235	10	10	FECE	
COC(=O)[C@H]1C[C@H](O)CN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1	1469816203	YOODNBPYUDXSET-WMZOPIPTSA-N	370.449	2.399	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)c1cnc2c[nH]nc2c1	1543098821	MESQQAGNYBIICV-UHFFFAOYSA-N	353.451	2.441	10	10	FECE	
CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3ccc(C=O)cc3)C2=O)cc1	1191733	OPDXGUBLOZRTNF-GZTJUZNOSA-N	364.357	2.137	10	10	FECE	
C[C@H]1CC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CS1(=O)=O	1639978142	URGJJICGJXDAEA-WPRPVWTQSA-N	355.437	2.008	10	10	FECE	
CSc1ccc(N2C[C@H](C(=O)NCc3cc(O)ccc3O)CC2=O)cc1	1633595444	WDOXPPRKALSJJT-CYBMUJFWSA-N	372.446	2.489	10	10	FECE	
COCCOCCN(Cc1ccccc1)C(=O)Cc1ccc(O)c(O)c1	1630585343	MHKGJKPUGQBZMB-UHFFFAOYSA-N	359.422	2.332	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCC(CN=[N+]=[N-])CC2)C1	2124532995	MYEOEYDXNFZTPH-QGZVFWFLSA-N	367.450	2.297	10	10	FECE	
CC(C)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1O	1761113500	ARKFDPQJGQULRF-UHFFFAOYSA-N	357.458	2.399	10	10	FECE	
CC(=O)c1cc(CN(C)C[C@@H]2CCCO2)c(O)c(CN2CCOCC2)c1	151690296	VCCINWSUUDBQOX-IBGZPJMESA-N	362.470	2.038	10	10	FECE	
C[C@@H](C(=O)N1CCC[C@H](N=[N+]=[N-])CC1)N1CC(NC(=O)OC(C)(C)C)C1	2131758098	ROVKQSXUTOJKFT-STQMWFEESA-N	366.466	2.275	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2CNCc1cc2c(cc1O)OCO2	2138281891	ITQITXIZOFSCAI-MCIONIFRSA-N	362.426	2.466	10	10	FECE	
Cc1cccc(CNC(=O)C2(N)CCN(Cc3ccccc3)CC2)c1O	2139741563	MUAHHEZKBRMHSD-UHFFFAOYSA-N	353.466	2.310	10	10	FECE	
COC(=O)[C@]1(NCCN=[N+]=[N-])CN(Cc2ccccc2)[C@]2(CCCOC2)C1	2156287521	HFCPEABRTPBFCA-RTBURBONSA-N	373.457	2.253	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(NCc2ccc(O)c(O)c2O)C1	2033965617	BEBDQRRQKQMIDR-KZULUSFZSA-N	350.415	2.293	10	10	FECE	
CN(Cc1cncs1)c1cc2c(cc1Br)[C@@H](N)C(=O)N2	400110750	KJLGUXMQOHQKPS-GFCCVEGCSA-N	353.245	2.494	10	10	FECE	
CO[C@H](C(=O)N1CCC[C@@H]1CN=[N+]=[N-])C1CN(C(=O)OC(C)(C)C)C1	2060634098	VIUXHQASUXGRLJ-OLZOCXBDSA-N	353.423	2.170	10	10	FECE	
C[C@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)CC(=O)Nc1ccc(N)cc1	2106763331	CLEOIXWQTHOIPN-CYBMUJFWSA-N	362.474	2.395	10	10	FECE	
O=C1NC(=S)N(Cc2ccc(F)cc2)C(=O)C1=CNNc1ccccc1	2296157067	FJXYIPWPMYEDLZ-UHFFFAOYSA-N	370.409	2.070	10	10	FECE	
O=C(O)CN1C(=O)C(=Cc2cc3c(cc2Cl)OCO3)SC1=S	2297200052	GYRKFVYJMREVDM-UHFFFAOYSA-N	357.796	2.355	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)NCc1nccn1C(F)F	2297505835	BEHGYHUMNBKNTE-UHFFFAOYSA-N	362.380	2.444	10	10	FECE	
CN(c1cc2c(cc1N)OCCO2)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F	2343622998	XETCVDPTXYIVLK-SMDDNHRTSA-N	367.421	2.434	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc(OC)nc3OC)CC2)cc1	6920091	XIETWMBUAUOWKM-UHFFFAOYSA-N	357.410	2.070	10	10	FECE	
CC1=NN(c2ccc3nnc(C)n3n2)C(=O)/C1=C\Nc1ccccc1F	103059579	PNTXBUQEBQDNNM-XFXZXTDPSA-N	351.345	2.290	10	10	FECE	
CN(C)C(=O)CCCn1c(CC2CC2)nnc1N(C)Cc1ccccc1O	1503364201	LZTJOKXFOLAJTA-UHFFFAOYSA-N	371.485	2.441	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(N)=O	119968768	SJMBYIGHYAFWOG-KRWDZBQOSA-N	366.421	2.112	10	10	FECE	
CCCNC(=O)CCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O	175318763	VWGSBPRITZRRNR-UHFFFAOYSA-N	364.401	2.108	10	10	FECE	
COCCN1CCC[C@H]1CNC(=O)c1cc(C)n(-c2ccccn2)c1C	69504249	AZDLJUOVSOHCHG-KRWDZBQOSA-N	356.470	2.330	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CSC(=O)N1	120991541	IMGRQRTYDWUNFF-SNVBAGLBSA-N	359.245	2.328	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(Cn3cc(C)cn3)on2)c1	131507063	JLJXMOAQZRLBGR-GFCCVEGCSA-N	356.382	2.433	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCCN3CCCCC3)CC2)cc1F	84732703	VEVBDEGORPOOJV-UHFFFAOYSA-N	364.465	2.152	10	10	FECE	
Cc1c(/C=C\C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1C	255691911	VHUNSFPFZRQQAV-TWGQIWQCSA-N	354.454	2.237	10	10	FECE	
CCc1cc(C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)no1	1435074333	IRPZIWPPDHTYPV-UHFFFAOYSA-N	360.433	2.448	10	10	FECE	
CCOC(=O)c1cn(C)nc1NC(=O)N1CCOc2cc(N(C)C)ccc21	273282349	SXNOOPALBPQKQE-UHFFFAOYSA-N	373.413	2.094	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCc2ccc(O)c(O)c2)C1	272305532	JRMKGXAOQRSQLI-CYBMUJFWSA-N	350.415	2.361	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1c(C)cc(C)nc1O	283069647	KXJZBTXNZPKOHP-UHFFFAOYSA-N	371.437	2.165	10	10	FECE	
CO[C@@H](C)CN(C)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	807062674	IXJNMGVOKBIRIJ-KRWDZBQOSA-N	374.529	2.395	10	10	FECE	
COc1ccc(N2CCN(CCNc3cc(N)ccc3[N+](=O)[O-])CC2)cc1	800847956	GCAVSFRXHXLPJW-UHFFFAOYSA-N	371.441	2.420	10	10	FECE	
CNC(=O)[C@@H]1CN(C(=O)/C=C\c2cc(C)n(-c3ccccc3)c2C)CCO1	588420810	WBBQKGPGWMSQTJ-VJIACCKLSA-N	367.449	2.081	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N1CCC12CCCC2	846725943	YYWWIURQPPTSMV-UHFFFAOYSA-N	373.522	2.401	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc(CO)cc3OC)C2)cc1	912292024	HCHCGGZQFSESGX-HNNXBMFYSA-N	356.422	2.205	10	10	FECE	
NC[C@H]1CCCC[C@@H]1NC(=O)NCc1cc(Br)ccc1O	841947243	DLQWAGOEVBKUIA-MFKMUULPSA-N	356.264	2.471	10	10	FECE	
O=C(CN1CCC12CCCC2)NCc1ccc(N2CCOCC2)c(F)c1	844357099	DEIRMALKUGXPJP-UHFFFAOYSA-N	361.461	2.297	10	10	FECE	
CCN(CCCO)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	769048501	JTXRQYUITPJRTG-UHFFFAOYSA-N	374.529	2.133	10	10	FECE	
CCCN(C[C@@H]1CCCCO1)C(=O)c1cc(NS(C)(=O)=O)ccc1O	769774444	DQETVSMXGUWZFI-AWEZNQCLSA-N	370.471	2.185	10	10	FECE	
CN(C)c1ccc(CNS(=O)(=O)c2ccccc2Cn2ccnc2)cc1	777817879	VNXFWHHNHMNOMJ-UHFFFAOYSA-N	370.478	2.476	10	10	FECE	
COc1ccc(N(C)CCN(C)Cc2nc(Br)nn2C)cc1	895136737	HYQZLTCHPAAUJQ-UHFFFAOYSA-N	368.279	2.154	10	10	FECE	
CC(C)(C)OC(=O)NCCN(CC1CC1)C(=O)c1cccc(O)c1O	1963795308	MSZAOFTVGQQWSX-UHFFFAOYSA-N	350.415	2.475	10	10	FECE	
O=C(O)[C@]1(CNCc2cc(Br)cc(F)c2O)CCCOC1	1334053603	AXVCESZEVOZCES-AWEZNQCLSA-N	362.195	2.265	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)N[C@H](C(C)C)C3CC3)C2)cc1	1330637174	GWNZGRKBZAVZDJ-HNAYVOBHSA-N	373.497	2.189	10	10	FECE	
C[C@@H](NC(=O)C(=O)NC[C@@H]1CC2(CCC2)CO1)c1ccc(N(C)C)cc1	1331759843	MIOQAVQOZNSCHD-PBHICJAKSA-N	359.470	2.005	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCCNC(=O)[C@@H]2C[C@H]2c2ccco2)cc1	1522717914	UCOCLKRJHYCAID-ZIAGYGMSSA-N	369.381	2.092	10	10	FECE	
CCC[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CCN1CCOC	1295227544	OREATSHYWUCYLH-INIZCTEOSA-N	361.446	2.422	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cncc(C=O)c1	1546151832	IMXUBXJLYTZPCS-UHFFFAOYSA-N	362.769	2.069	10	10	FECE	
CON(CC(=O)Nc1ccc(N)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1	2119464097	FNVOZMDTZUBERJ-HNNXBMFYSA-N	364.446	2.080	10	10	FECE	
Cc1csc2ncc(C(=O)NCc3ccc4cccnc4c3O)c(=O)n12	1627073466	OPVLCUDHYCNVLU-UHFFFAOYSA-N	366.402	2.248	10	10	FECE	
CC[S@@](=O)CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1O	1710912404	RJAQPZKQRBJQAN-AREMUKBSSA-N	373.482	2.384	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3c(OC)nsc3OC)CC2)cc1	1630081991	RBCRAVXAXXCUPY-UHFFFAOYSA-N	363.439	2.131	10	10	FECE	
CCCS(=O)(=O)Nc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1	1583212833	AITMJAVDGSOIER-UHFFFAOYSA-N	364.423	2.431	10	10	FECE	
C[C@H](C(=O)N1CC[C@@H](CN=[N+]=[N-])C1)N1CCN(C(=O)OC(C)(C)C)CC1	2124513665	QWMVBVAQBIBTKH-KGLIPLIRSA-N	366.466	2.086	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C(C)(C)C)n1C[C@H]1CCC(=O)N1	1747750040	ISJCIFDICPMMIY-CQSZACIVSA-N	357.458	2.196	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C	1968788195	DCSZEXSHVBHZMH-WFASDCNBSA-N	352.431	2.187	10	10	FECE	
Nc1ccc(O)c(CNS(=O)(=O)c2ccc(Br)cc2)c1	36742811	VOGUKKRIJVGARJ-UHFFFAOYSA-N	357.229	2.215	10	10	FECE	
C[C@H](N)c1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Br	2151274474	LLPDLZGQDNLPLH-RBZYPMLTSA-N	359.289	2.092	10	10	FECE	
CCCN1C(=O)C(=Cc2ccc(OCC(N)=O)c(OC)c2)SC1=S	2040691872	SXOWHMURRYZGGW-UHFFFAOYSA-N	366.464	2.171	10	10	FECE	
COc1ccc(O)c(CNCCN2CCN(Cc3ccccc3)CC2)c1	390907904	MDBUYEWDRNIUKQ-UHFFFAOYSA-N	355.482	2.308	10	10	FECE	
Nc1ccc(O)c(CNS(=O)(=O)C2CC(OCc3ccccc3)C2)c1	2043129560	PEFVURAXVMQCIS-UHFFFAOYSA-N	362.451	2.142	10	10	FECE	
NCc1ccc(N2CC(N3CCSCC3)C2)c(F)c1Br	2191170707	YHQYKTXBXFYVKE-UHFFFAOYSA-N	360.296	2.284	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H]1OCC[C@@H]1NC(=O)OC(C)(C)C	2059944776	AVRUMTOTOHPBPW-ZFWWWQNUSA-N	350.415	2.033	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@@H](N=[N+]=[N-])C2)OC(C)(C)C1	2060639320	GQTIDPYTESMFDY-VXGBXAGGSA-N	353.423	2.312	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060612115	CJNUYXQGQQIJLF-XQQFMLRXSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](CC(=O)N2CC[C@@H](N=[N+]=[N-])C2)C1	2067632992	CHYWTVQUHJHZCV-UPJWGTAASA-N	353.423	2.360	10	10	FECE	
Nc1ccc(CNC(=O)[C@@H]2CC[C@@H](C(=O)O)N2Cc2ccccc2)cc1	2105909852	DIMCCWWHZSROFI-ROUUACIJSA-N	353.422	2.003	10	10	FECE	
COc1ccc(CNC[C@@]23C[C@@H](CO2)N(C(=O)OC(C)(C)C)C3)c(O)c1	2089415661	KZZDNBPYRLSDID-IFXJQAMLSA-N	364.442	2.269	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](NCc2ccc(O)cc2O)C[C@@]12CCOC2	2098979023	ZCYXMEUDBUVPDT-IFXJQAMLSA-N	364.442	2.356	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])C[C@@H](O)C1(C)C	2225794346	FGKJTQKYPBJQLT-VFFPBDHRSA-N	367.450	2.388	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1c1ccc2c(c1)OCCCO2	2226815623	UYGGBWIWEIXYES-LSDHHAIUSA-N	364.442	2.312	10	10	FECE	
COC(=O)[C@@H](C)N1C(=O)C(=C2C(=O)Nc3ccc(C)cc32)SC1=S	2297465431	CISNZGGJXZDIFN-MRVPVSSYSA-N	362.432	2.080	10	10	FECE	
C[C@@H](CNC(=O)C=Cc1ccc(N2CCOCC2)cc1)Cn1cccn1	2297505810	UTYPFKIINYQEFY-KRWDZBQOSA-N	354.454	2.185	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1C(=O)N1CCc2cc(O)c(O)cc2C1	2341196820	ODHHKSFJHQDBNR-GXTWGEPZSA-N	362.426	2.143	10	10	FECE	
COc1ccc(N2CCN(C(=O)COc3ccccc3)CC2)cc1OC	41379680	YEPIFWCSNBKYOB-UHFFFAOYSA-N	356.422	2.431	10	10	FECE	
CN(C)c1ccc(CN(CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1F	131045635	SRSMNNBFRRYJDW-QGZVFWFLSA-N	363.477	2.495	10	10	FECE	
Cc1cc(CO)oc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	282960684	FRGCJKYQDHUZPF-UHFFFAOYSA-N	358.438	2.219	10	10	FECE	
Cc1ccc(CN2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c(O)c1Br	2380733461	ONCWSVGSAVMACA-QWRGUYRKSA-N	362.289	2.471	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H](CO)c1cccnc1	806846382	MMWJMCVDZUKGDW-GOSISDBHSA-N	352.438	2.033	10	10	FECE	
Oc1cc(F)c(Cl)cc1CNc1cnn(CCN2CCOCC2)c1	293663937	PTFUHPHHWBPEPP-UHFFFAOYSA-N	354.813	2.326	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)Cc1cc(C)on1	297821376	LQPNKYORFBHVGU-UHFFFAOYSA-N	358.442	2.056	10	10	FECE	
Cn1nccc1-c1ccccc1/C=C1/SC(N2CCOCC2)=NC1=O	814187327	GRYSWYNMHQJSIN-FOWTUZBSSA-N	354.435	2.390	10	10	FECE	
CO[C@H]1CCCC[C@@H]1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	815378588	CLMDYCUWZMQSMU-ROUUACIJSA-N	362.470	2.459	10	10	FECE	
C[C@H]1CN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)[C@H]1C	815163917	SKIVGJLPQKMNFU-JJXSEGSLSA-N	363.477	2.396	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CCc2nc[nH]c2C1	811864512	BXESPGJHPFFNIO-OAHLLOKOSA-N	371.510	2.320	10	10	FECE	
Cc1cc(C(=O)N2CC[C@](O)(C(=O)O)C2)c(C)n1-c1ccc(Cl)cc1	910531679	TYLRPTKKKKSOCG-GOSISDBHSA-N	362.813	2.409	10	10	FECE	
CC[C@H]1[C@@H](CO)CCN1C(=O)NC1CCN(c2ccc(OC)cc2)CC1	838190789	LIKCVSWWEDLSPU-BEFAXECRSA-N	361.486	2.466	10	10	FECE	
Oc1ccc(Br)cc1CNC1CCC(N2CCNCC2)CC1	841087060	ITQBCPUIQROVII-UHFFFAOYSA-N	368.319	2.461	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C1CC1)[C@H]1CCCCO1	848933457	AZHUAORZXVDHKQ-RTBURBONSA-N	373.497	2.141	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)c1	847406562	LRQPBSQSCKMOSL-KBXIAJHMSA-N	365.474	2.259	10	10	FECE	
C[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(N(C)C)cc1	849388592	VGMFPZQLRCADKH-LLVKDONJSA-N	350.400	2.095	10	10	FECE	
O=C(C[C@@H]1CCCO1)NCc1cc(NC(=O)C[C@@H]2CCCO2)ccc1O	923124892	ULJLNKHQRVXWQG-HOTGVXAUSA-N	362.426	2.085	10	10	FECE	
C[C@@H]1CCCN(c2ccc(CNC(=O)N(CCN)CCO)cc2Cl)C1	841895849	GQTSUNHSSNPZLY-CQSZACIVSA-N	368.909	2.039	10	10	FECE	
CCC[C@H](C)N1C[C@@H](C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1=O	855229396	JPJMFRMJQOWWSG-YESZJQIVSA-N	373.497	2.427	10	10	FECE	
CC[C@H](NC[C@@H](O)CS(C)(=O)=O)c1ccc(Cl)c(Cl)c1O	927023028	GIHQJWASIVKMHV-KCJUWKMLSA-N	356.271	2.145	10	10	FECE	
CN(Cc1cc(O)n2ncc(C(=O)O)c2n1)C[C@@H]1CCc2ccccc21	851708940	BHHZNXQTAGWDCH-ZDUSSCGKSA-N	352.394	2.295	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC)cc3O)C2)cc1	852451760	PGVHFAYGWMBLIG-HNNXBMFYSA-N	371.437	2.488	10	10	FECE	
CN1CCN(c2ccc(CNC[C@@H]3c4ccccc4C(=O)N3C)cc2)CC1	858282958	AOOCNXAPRDIWLB-OAQYLSRUSA-N	364.493	2.355	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCCC[C@H]3C(N)=O)C2)cc1	854300015	OEGLPZWNJSDFGI-BMGDILEWSA-N	374.485	2.007	10	10	FECE	
CCO[C@@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(C)C	858669408	MMFWOUQEJNLHRK-SJLPKXTDSA-N	361.486	2.066	10	10	FECE	
Oc1ccc(F)cc1CN1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1	853249595	RREWJELPUMYDME-CQSZACIVSA-N	359.449	2.044	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2	762268546	JZZDSSVQPXHNSK-GJZGRUSLSA-N	355.390	2.331	10	10	FECE	
COCc1nc([C@H]2COCCN2Cc2cc(F)c(N(C)C)cc2F)no1	862303412	RJSSXHJEIIVKIW-OAHLLOKOSA-N	368.384	2.134	10	10	FECE	
COCCO[C@H]1COCC[C@@H]1NCc1cc(C)cc(Br)c1O	776812541	KAQXQSMHCNWGKK-GJZGRUSLSA-N	374.275	2.373	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)[C@@]34C[C@@H](N)C[C@@H]3C4)cc2F)C[C@@H](C)O1	870869524	XJRTYMZVTRIYNB-IJPBYFGZSA-N	361.461	2.183	10	10	FECE	
CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(N4CCN(C)CC4)cc3)[C@@H]2C1	775739734	RBHAMJVCXOGQSO-NJYVYQBISA-N	359.514	2.207	10	10	FECE	
O=C(Nc1cccc(C(=O)N2CCC[C@H](CO)C2)c1)c1cccc(O)c1O	1137979796	GCVINEVDJCEJJS-ZDUSSCGKSA-N	370.405	2.195	10	10	FECE	
Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc(O)c3O)C2)n1	1141906054	YSHIWAFQVJVMSO-CYBMUJFWSA-N	355.394	2.292	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1coc(Sc2ncccn2)n1	1154027609	XDXSYRONSOOLME-JTQLQIEISA-N	372.406	2.388	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCC[C@H]3N(C)C)C2)cc1	1328413285	OSBYCPICADVHRI-ZYSHUDEJSA-N	360.502	2.446	10	10	FECE	
Cc1ccccc1[C@@]1(F)CCN(C(=O)C(=O)NCCc2ccc(N)cc2)C1	1261383107	DGLPLRAVDJCIJJ-OAQYLSRUSA-N	369.440	2.333	10	10	FECE	
C[C@H](O)CN(c1nnc(-c2sccc2O)n1C[C@@H]1CCOC1)C1CC1	1349323011	ASKRMWMHBLSDOQ-RYUDHWBXSA-N	364.471	2.098	10	10	FECE	
Cc1cc(Cn2c(-c3sccc3O)nnc2N2CCCOCC2)no1	1346918975	BRCDHSIKZLNZJM-UHFFFAOYSA-N	361.427	2.284	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@H]2CCOC2)n1CC1(C)COC1	1298364304	YEJZFUXACGLRQX-HNNXBMFYSA-N	358.442	2.161	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2c(O)ncnc2c1	1629932060	ZYGKGQBLNUELQS-UHFFFAOYSA-N	350.378	2.441	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)[C@@](C)(O)Cc2ccccc2)N(C)C)cc1	1637005033	ZTTOOIMXRVWEOW-IRLDBZIGSA-N	369.509	2.465	10	10	FECE	
C[C@H](NC(=O)CCn1nc(O)c2ccccc2c1=O)c1ccccc1O	1643742319	YTQIZGQONCFLNW-LBPRGKRZSA-N	353.378	2.075	10	10	FECE	
CO[C@H](C(=O)N1CCC[C@H](CN=[N+]=[N-])C1)C1CN(C(=O)OC(C)(C)C)C1	2124532255	JHPBDWOZGWMXTD-OCCSQVGLSA-N	367.450	2.417	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2124539866	ABOUVMKCAWVSBI-DCGLDWPTSA-N	365.434	2.171	10	10	FECE	
COc1ccc(N2C[C@H](NC(=O)NCc3c(O)cccc3F)CC2=O)cc1	1683743184	PGYYWNLBWRLEAW-GFCCVEGCSA-N	373.384	2.145	10	10	FECE	
CC[C@@H](C)[C@@H](CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1)OC	1681299096	WRYMWYQVDZGZTN-VQIMIIECSA-N	362.518	2.299	10	10	FECE	
CCc1nc2sc([C@H](c3cc(C)ccc3O)N3CCNCC3)c(O)n2n1	1857925679	WTIHCJKINAOIKP-HNNXBMFYSA-N	373.482	2.067	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1	1968793195	VVSMMBFZFSFMIH-ZDUSSCGKSA-N	364.442	2.284	10	10	FECE	
COc1cccc(O)c1CNC[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1	2136607372	KZNMWXDNNYPWPA-LJQANCHMSA-N	366.458	2.252	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@](C)(CNCc2cccc(O)c2O)C1	2026838979	BQUPACAYYULIJJ-SFHVURJKSA-N	352.431	2.213	10	10	FECE	
CCN(CCN(C)S(=O)(=O)Cc1ccc(N)cc1)C(=O)OC(C)(C)C	2044650779	QWFCWINBZDGCCI-UHFFFAOYSA-N	371.503	2.287	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060619237	KOLQMQUFFNFCJP-XQQFMLRXSA-N	353.423	2.170	10	10	FECE	
C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)c1cc(O)ccc1O	2063342524	VYDYKXQTLRXLMB-PEYYIBSZSA-N	352.431	2.119	10	10	FECE	
CC(C)(C)OC(=O)NCC1CN(CCCC(=O)Nc2ccc(N)cc2)C1	2106769714	ZPFTVLVJZAOCSD-UHFFFAOYSA-N	362.474	2.444	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CN(CC(=O)Nc3ccc(N)cc3)C[C@@H]2C1	2106759363	GJWARHISTABOPE-ZIAGYGMSSA-N	360.458	2.006	10	10	FECE	
O=C(O)[C@@H]1C[C@@H](O)CCN1Cc1cc(Cl)cc(Br)c1O	2201090417	JNAOIHAUIWEQGB-ONGXEEELSA-N	364.623	2.218	10	10	FECE	
CN1CCc2cc([C@H](O)CN3CC[C@@H](NC(=O)OC(C)(C)C)C3)ccc21	2112978768	AHHTVQYYCHBMEK-SJLPKXTDSA-N	361.486	2.311	10	10	FECE	
COC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])C1	2218742629	RKDASPJGLZVTKS-LZUBYRBGSA-N	353.423	2.406	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2310284064	KFTMAXNZHSRFAA-UPJWGTAASA-N	353.423	2.048	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C[C@H](O)C1(C)C	2333612916	FGKJTQKYPBJQLT-XSLLRJJBSA-N	367.450	2.388	10	10	FECE	
O=C(O)CN1C(=O)/C(=C/c2cccn2-c2ccc(O)cc2)SC1=S	1161098	QHOOWJJSBZNLET-JYRVWZFOSA-N	360.416	2.469	10	10	FECE	
COc1ccc(N2CCOCC2)cc1NS(=O)(=O)c1ccc(F)cc1	41365210	JKNDOTYFKFIAJG-UHFFFAOYSA-N	366.414	2.472	10	10	FECE	
COC(=O)CCCNC(=O)CN1CCCc2cc(OC(F)F)ccc21	55026348	IFEOSGHVOUXUJP-UHFFFAOYSA-N	356.369	2.110	10	10	FECE	
CN1C[C@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)CCC1=O	162993494	XOVIDFKIBGCBBI-OAHLLOKOSA-N	357.410	2.318	10	10	FECE	
CCOC(=O)c1cn(C)nc1NC(=O)NCc1ccc(N(C)C)c(F)c1	184016173	CRXWRWOJMVAWKO-UHFFFAOYSA-N	363.393	2.124	10	10	FECE	
CCc1n[nH]c([C@@H]2CN(Cc3cc(Cl)cc(OC)c3O)CCO2)n1	184670720	RCZRBEZSKWBFPH-ZDUSSCGKSA-N	352.822	2.308	10	10	FECE	
Nc1ccc(CS(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cc1	301135914	LJJFKKOPRCBJPV-UHFFFAOYSA-N	359.495	2.353	10	10	FECE	
O=C(NCc1ccccc1O)c1cc([N+](=O)[O-])ncc1Br	314474423	AWCVHSKHYGVGFH-UHFFFAOYSA-N	352.144	2.388	10	10	FECE	
COc1ccc(O)c([C@H](C)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1	702794673	HZJUGUUAEKDIAG-OGHNNQOOSA-N	366.458	2.279	10	10	FECE	
CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(N4CCN(C)CC4)cc3)[C@H]2C1	775739728	RBHAMJVCXOGQSO-HKBOAZHASA-N	359.514	2.207	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)N[C@@H]1CCN(C2CC2)C1	805183095	CBCGVEIPWGYEIY-GFCCVEGCSA-N	354.248	2.191	10	10	FECE	
Cc1cc(NC(=O)C(=O)NCc2cc(Br)ccc2O)sn1	807385331	IPJPRYZIKMMVOQ-UHFFFAOYSA-N	370.228	2.175	10	10	FECE	
C[C@@H](Cc1ccco1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	822936356	AIHLMBURZSGYTA-RDJZCZTQSA-N	369.465	2.476	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)Nc3nnc(OC)s3)C2)cc1	824298050	AMOGEOSPCVCOSU-NSHDSACASA-N	363.443	2.203	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CCOCC34CCCCC4)nc12	832175023	HFIAGQJMYAXYJD-UHFFFAOYSA-N	374.441	2.147	10	10	FECE	
COc1ccc(N2CCN(c3ncc(C(=O)O)cc3[N+](=O)[O-])CC2)cc1	844206481	CTSKBFOIWYPSLK-UHFFFAOYSA-N	358.354	2.023	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3C[C@H]4CC[C@H]3[C@H](CO)C4)C2)cc1	852387672	TZCISYNSQOZPSZ-CLWJZODNSA-N	373.497	2.324	10	10	FECE	
CCOCCNC(=O)COC(=O)Cc1cc(C)n(-c2ccccc2)c1C	853933347	AZSAGVYCAGBNSN-UHFFFAOYSA-N	358.438	2.333	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3C[C@H](C)C(O)[C@@H](C)C3)C2)cc1	854186928	BMJQZGCRVWVOIU-HRCADAONSA-N	361.486	2.180	10	10	FECE	
COc1cccc(CNC(=O)NCc2cnc(C(F)(F)F)nc2)c1O	854289857	YRPKQTQNPPDWNZ-UHFFFAOYSA-N	356.304	2.209	10	10	FECE	
Cc1ccc(C(=O)NC[C@@H](O)[C@H]2CCCO2)cc1-n1c(C)cc(C=O)c1C	862655955	XNXAAJNCWJKTGP-WOJBJXKFSA-N	370.449	2.485	10	10	FECE	
CN1CCC2(CC1)CCN(c1cc3c(cc1[N+](=O)[O-])OCC(=O)N3)CC2	866054809	KPFFXYCYQVGOBP-UHFFFAOYSA-N	360.414	2.238	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(N2CCCCC2)ncn1	867301562	ACFIWCZCPLQELD-CYBMUJFWSA-N	356.426	2.239	10	10	FECE	
COC(=O)c1c(CN2CCC[C@@H](CC(N)=O)C2)c2cc(F)ccc2n1C	894077047	VAHYZRYBAJBCHT-LBPRGKRZSA-N	361.417	2.191	10	10	FECE	
COCc1ncc2c(n1)CCN(Cc1ccc(N3CCOCC3)cc1)C2	895416015	VNLIWLORPXMAOI-UHFFFAOYSA-N	354.454	2.018	10	10	FECE	
Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3c(C)nn(C)c3C)C2=O)cc1C	1084051801	IHOTVIKUGZYTIB-OQLLNIDSSA-N	367.409	2.233	10	10	FECE	
O=C(NCc1c(O)cccc1F)c1cc2ncc(Br)cn2n1	1178413051	LULBOOZLOKIZFH-UHFFFAOYSA-N	365.162	2.267	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCOC2(CCN(C)CC2)C1	1261453841	QNKDAWWMMVXESB-UHFFFAOYSA-N	360.502	2.067	10	10	FECE	
COc1ccc(O)c(CNC(=O)NCCc2cn3c(C)cccc3n2)c1	1326037998	DLBZVAIYEAKEGA-UHFFFAOYSA-N	354.410	2.399	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C2CC2)nn1C	1328105060	JJENLDIBSPMJEN-UHFFFAOYSA-N	356.426	2.380	10	10	FECE	
C[C@@H](NC(=O)Cn1nnnc1-c1ccccc1)c1ccc(N(C)C)cc1	1435952897	CPPPKMTXPKSCNL-CQSZACIVSA-N	350.426	2.284	10	10	FECE	
CC(=O)N1C[C@H](C(=O)NCc2cc(Cl)ccc2O)Oc2ccccc21	1452947152	PYCGMXMMVNWIHF-QGZVFWFLSA-N	360.797	2.476	10	10	FECE	
CC(C)n1ncc2cc(/C=C/C(=O)NCc3ccc(O)cc3O)c(=O)[nH]c21	1469159794	NSEJOVGPUUDSRH-GQCTYLIASA-N	368.393	2.046	10	10	FECE	
NC(=O)COc1cccc2c1CCCN2C(=O)/C=C/c1cncc(F)c1	1522330127	RXLHZXBRDCRKFV-VOTSOKGWSA-N	355.369	2.077	10	10	FECE	
Cc1oc(C=O)cc1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	1543377225	CVIDRLJLFALHPV-OAHLLOKOSA-N	369.421	2.032	10	10	FECE	
CS(=O)(=O)CC1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCC1	1570368645	QVUVRXFMKCTMAZ-UHFFFAOYSA-N	369.464	2.257	10	10	FECE	
CNC(=O)N[C@H]1CCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1	1611253195	HWRVLWMFTGGVKO-KRWDZBQOSA-N	354.454	2.167	10	10	FECE	
CN(C[C@@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1)C(=O)OC(C)(C)C	1620517735	ZQTHQRNELONZEX-AWEZNQCLSA-N	364.442	2.498	10	10	FECE	
CCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2c(O)cccc2F)c1	1646029547	ZRFQBTUCBUQFNK-UHFFFAOYSA-N	366.414	2.068	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1CC1(C(N)=O)CCCC1	1709038626	LMUNGXOJUZQMAP-UHFFFAOYSA-N	357.458	2.228	10	10	FECE	
C[C@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccccc1O	1877550014	WEFMBYTZYNXZRM-WOSRLPQWSA-N	364.442	2.187	10	10	FECE	
CO[C@]1(CNC(=O)OC(C)(C)C)C[C@H](C(=O)NCc2ccccc2O)C1	1966107787	DUAXEJJYRHVHDM-DHFPXDALSA-N	364.442	2.328	10	10	FECE	
COc1cccc(O)c1CNC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C	1971625987	XAUNSNSTFLJDEG-CQSZACIVSA-N	365.474	2.042	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])CO1	2060610372	HEVRUBPMKLBTKL-AGIUHOORSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2060615262	MOHBVYNKWOGTFB-AAEUAGOBSA-N	353.423	2.218	10	10	FECE	
CO[C@H]1C[C@@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060615744	RWTPECYGXDWXKT-AGIUHOORSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2060639793	LVCOSKOTLCRWCR-YNEHKIRRSA-N	353.423	2.218	10	10	FECE	
C[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)c1cc(O)ccc1O	2069357789	RTLQFNRIFOJVET-WPGHFRTFSA-N	352.431	2.119	10	10	FECE	
COc1ccc(N(C)C[C@]2(O)COCCN(C(=O)OC(C)(C)C)C2)cc1	2100539984	AWZXHVHOVCWLOO-LJQANCHMSA-N	366.458	2.130	10	10	FECE	
C[C@@H]1CN([C@H](C)C(=O)Nc2ccc(N)cc2)C[C@@H]1NC(=O)OC(C)(C)C	2106662449	PAQJNGCJIPLKSU-IOASZLSFSA-N	362.474	2.441	10	10	FECE	
C[C@@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)COc1ccc(N)cc1	2106731773	IVVRBVKGLHRBEA-ZDUSSCGKSA-N	363.458	2.361	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNCc2cc(F)cc(F)c2O)C[C@H]1O	2116187933	JFLYDJLEQDAKDN-COLVAYQJSA-N	372.412	2.424	10	10	FECE	
CC(C)(C)OC(=O)NCc1ncc(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)cn1	2124504989	GFJBIWLWDXUIRN-LLVKDONJSA-N	361.406	2.274	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2124509480	NPABPXSFJUNTHW-MGPQQGTHSA-N	367.450	2.296	10	10	FECE	
C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1CCC(=O)Nc1ccc(N)cc1	2162954463	YQNNYAGWDQTEHL-RISCZKNCSA-N	372.391	2.129	10	10	FECE	
CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)[C@@H]2CC[C@@H]21)c1ccc(N)cc1	2168384215	IOKKZJGCJUWTLH-DLBZAZTESA-N	374.485	2.315	10	10	FECE	
CN1CCc2cc(CN[C@@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]34)ccc21	2178141614	BMXUNGIFTJZLNX-YQVWRLOYSA-N	373.497	2.403	10	10	FECE	
CN(C)c1ccc([C@@H](CN)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1	2194844755	DGNGWJGSGRVMMR-CZUORRHYSA-N	372.435	2.143	10	10	FECE	
COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1O	2294199295	OXPUWLGQWWZOBN-UHFFFAOYSA-N	372.377	2.371	10	10	FECE	
COc1ccccc1C=C1C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O	2296125545	GPWIRYNJWOERIT-UHFFFAOYSA-N	354.337	2.496	10	10	FECE	
COc1ccc(N/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1	104804549	APUMJPMIBLFJHG-PTNGSMBKSA-N	353.403	2.439	10	10	FECE	
CC[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CCN1C[C@@H](C)O	120705627	VCWIZOIQUVYJIY-RISCZKNCSA-N	357.838	2.231	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC(c2cnc[nH]2)CC1	374210477	VBQXTDDWTWQGJR-UHFFFAOYSA-N	355.486	2.314	10	10	FECE	
Cc1ccc(CN(C)C[C@@H]2CCS(=O)(=O)C2)c(O)c1Br	2380715434	ZPEFZDJPAANPBR-NSHDSACASA-N	362.289	2.330	10	10	FECE	
Oc1ccc(Br)cc1CNCc1cn(Cc2cccnc2)nn1	809713618	UPGSRGVRANCIJE-UHFFFAOYSA-N	374.242	2.479	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Nc3ncn(C(C)(C)C)n3)C2)cc1	822543768	LNNQVKMZEJSWGO-ZDUSSCGKSA-N	358.446	2.442	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)NC[C@@H]3C[C@H]3C3CC3)CC2)cc1	836259353	HECLMVXFDZDSFS-PXNSSMCTSA-N	372.513	2.163	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCCC[C@@H]2C(=O)N2CCOCC2)cc1	835027248	JBCQLQLPGQELOQ-RRFGBZISSA-N	357.498	2.479	10	10	FECE	
Cc1cc(C(=O)CN2CCC[C@@H](N)C2)c(C)n1-c1ccc2c(c1)OCO2	843345473	NJCQKAICFMCIRR-OAHLLOKOSA-N	355.438	2.429	10	10	FECE	
CCN1C[C@@H](N[C@@H](C)c2cc(Br)cc(OC)c2O)CC1=O	848553376	KXCKJSLKNSSPKC-ONGXEEELSA-N	357.248	2.435	10	10	FECE	
C[C@H](Cc1cccc(F)c1)N(C)C(=O)C(=O)NCCc1ccc(N)cc1	842237553	FHBOUBZNANFTPW-CQSZACIVSA-N	357.429	2.156	10	10	FECE	
Cn1ncc(I)c1CNCc1ccc2c(c1)CCO2	865867974	JYHJTQGDXQKHKI-UHFFFAOYSA-N	369.206	2.249	10	10	FECE	
COc1cccc(CNC(=O)N[C@H](CCN(C)C)c2cccnc2)c1O	925903204	RCQUSNWRAVUDDJ-MRXNPFEDSA-N	358.442	2.288	10	10	FECE	
CO[C@H](CNC(=O)NCc1cc(Br)ccc1O)[C@@H]1CCOC1	852436698	MDWGAAVCMREGJC-QMTHXVAHSA-N	373.247	2.005	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H](CCO)CC3)C2)cc1	854296611	FCQBBEHITLJTPG-IRXDYDNUSA-N	361.486	2.468	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2C[C@@H]3C[C@]3(c3ccccc3)C2)c1	927307418	NYZVOFAZTNVRJD-IFXJQAMLSA-N	372.446	2.177	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCO[C@H](CC(F)(F)F)C3)cc2N1	853979195	NLDWBHUTESJWHB-MRVPVSSYSA-N	361.276	2.083	10	10	FECE	
CCN(CC)c1ccc(CN[C@@H]2CCN(c3ccc4nncn4n3)C2)cc1	858244836	IYPWUQFCORGKKE-QGZVFWFLSA-N	365.485	2.339	10	10	FECE	
CCOc1cccc(CNC[C@@H]2CN(Cc3ccncc3)CCO2)c1O	858306990	XVBOFKBSWSEPTR-GOSISDBHSA-N	357.454	2.177	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)Cn3cccn3)C2)cc1	851992504	MOGOHQRXYMZABA-HOTGVXAUSA-N	357.458	2.106	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CNC[C@H]3CCCC34CC4)CC2)cc1	863588330	KQZQVKFAMQOGQY-UYAOXDASSA-N	373.541	2.348	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)C(=O)NCCCSc2nccs2)CCS1	930196886	BDKHTDACUMDJAD-QWRGUYRKSA-N	359.542	2.142	10	10	FECE	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCCc1nnnn1C	865348662	YJVRUBQCCAWWKV-UHFFFAOYSA-N	372.454	2.200	10	10	FECE	
O=S1(=O)CCC(CCNCc2cc(Br)ccc2O)CC1	768652175	UKENTBQBIYDYTR-UHFFFAOYSA-N	362.289	2.459	10	10	FECE	
O=C1NC2(CCC2)C(=O)N1Cc1ccc(N2CCN(CC3CC3)CC2)cc1	761927110	DTQGXGHVVMMIQH-UHFFFAOYSA-N	368.481	2.193	10	10	FECE	
COCCN1CC[C@@H](N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1	784547120	ZUUDRENVEOEFLU-ZWKOTPCHSA-N	367.921	2.320	10	10	FECE	
C[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)CN1CCOCC1	896500954	JHDJZGCIVDZMBE-NSHDSACASA-N	350.440	2.011	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)c3cncc4nc[nH]c34)C2)cc1	898006895	GSDYNUZHOGSVCK-ZDUSSCGKSA-N	351.410	2.223	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc2c(nc1O)CCCC2=O	1157103239	YHDJBPQQRSRXJI-UHFFFAOYSA-N	361.394	2.428	10	10	FECE	
COc1cccc([C@@H](NC(=O)Cc2ccc(O)c(O)c2)c2nccn2C)c1	1168599430	VKCZPAFWHQTYID-LJQANCHMSA-N	367.405	2.288	10	10	FECE	
Nc1ccc(CS(=O)(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1	705901488	RXJLZYISPSYSMX-OALUTQOASA-N	371.506	2.162	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)N[C@]2(C)CC(C)(C)OC2=O)cc1	1251626441	WQFKBSIYYIMATR-LJQANCHMSA-N	363.458	2.257	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NC2C[C@H]3[C@H](C2)C3(F)F)cc1	1334016552	OCJDZFZFLUCSRE-HOTGVXAUSA-N	365.424	2.309	10	10	FECE	
NS(=O)(=O)CCCCCCC(=O)NCc1c(O)ccc2ccccc12	1456311976	VXELZWXEBJIDCX-UHFFFAOYSA-N	364.467	2.401	10	10	FECE	
Cc1cc(CCNC(=O)N[C@@H](CO)c2ncc[nH]2)c(C)n1-c1ccccc1	1470968525	AKIDDUGFXHDFBI-SFHVURJKSA-N	367.453	2.393	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](CO)CC1OCCO1	1471652337	VSGLIROSBZBBIC-ZDUSSCGKSA-N	350.440	2.009	10	10	FECE	
COc1ccc(O)c([C@@H](C)N=c2[nH]ccnc2I)c1	2121641084	BLYDKVMXLRNAHB-MRVPVSSYSA-N	371.178	2.390	10	10	FECE	
CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCc1c(O)cccc1O	1558533252	ALQSZJSGIYIPIN-LBPRGKRZSA-N	352.456	2.052	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)[C@@H](C)c3ccccn3)CC2)cc1	1631442526	BARYABJRITWBAC-KRWDZBQOSA-N	368.481	2.132	10	10	FECE	
NC(=O)C1CCN(c2cccc(NC(=O)c3cccc(F)c3N)c2)CC1	1634081601	IQSSNWXOYAJAMO-UHFFFAOYSA-N	356.401	2.362	10	10	FECE	
NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(F)c(O)c3)c2)CC1	1565846995	QJDAKYCPOROJKR-UHFFFAOYSA-N	357.385	2.485	10	10	FECE	
Cc1ccc(O)c(CNCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1	1857854743	UNMWEYIEBAGVMJ-UHFFFAOYSA-N	373.478	2.468	10	10	FECE	
O=C(O)[C@H]1CSCCN1Cc1cc(Br)cc(F)c1O	2136338111	JEBAZNODDCTUOI-SNVBAGLBSA-N	350.209	2.296	10	10	FECE	
CN(CC(=O)NCC(F)(F)F)Cc1cccc(Br)c1O	1972605091	OZEZWZZXGHDHAJ-UHFFFAOYSA-N	355.154	2.265	10	10	FECE	
C[C@@H](N)c1ccc(N2CC[C@@H](CS(C)(=O)=O)C2)c(Br)c1	2143668211	PPBJEEJMAVVTDU-GHMZBOCLSA-N	361.305	2.340	10	10	FECE	
C[C@@H](O)c1ccc(N2CC(C)(CS(C)(=O)=O)C2)c(Br)c1	2173195230	NBKSCCWISLGDSB-SNVBAGLBSA-N	362.289	2.373	10	10	FECE	
C[C@H](C[S@@](C)(=O)=NC(=O)c1cccc(O)c1O)NC(=O)OC(C)(C)C	2054418644	VHUMZTMHQTUZCJ-REFGNXHDSA-N	372.443	2.249	10	10	FECE	
COc1ccc(O)c(CN[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)c1	2058679294	HFXAPZSULOVMNY-GOEBONIOSA-N	352.431	2.125	10	10	FECE	
CO[C@@H](CCNC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2060611582	VWZBIQBDIPUFQF-STQMWFEESA-N	355.439	2.465	10	10	FECE	
C[C@H]1[C@H](NC(=O)C(F)(F)F)[C@H](C)CCN1CCOc1ccc(N)cc1	2106753442	IUYSTIRAUSYVRC-TYNCELHUSA-N	359.392	2.425	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(F)c3)CC2)cc1	9858118	XCHAMTJJAANRPR-UHFFFAOYSA-N	357.385	2.122	10	10	FECE	
O=C(Cc1cccc(O)c1)NCc1ccc(N2CCC(CO)CC2)cc1	171260476	PRRNOCDSIGMWJM-UHFFFAOYSA-N	354.450	2.460	10	10	FECE	
CN(C)c1ncc(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)cn1	126050200	JUEUUALJKMZBES-VMPITWQZSA-N	353.426	2.031	10	10	FECE	
COc1cc(Br)cc(CN2CCC[C@@H]2C(=O)N(C)C)c1O	122604153	CKRAWBWLWJVWLW-GFCCVEGCSA-N	357.248	2.216	10	10	FECE	
Cc1ccc2nc(C(=O)O)c(/N=N\c3ccc(S(N)(=O)=O)cc3)n2c1	71590165	IYLJQZUIFKDVAC-HNENSFHCSA-N	359.367	2.404	10	10	FECE	
COC[C@@H](C)N(C)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	193395424	QNAYLNHZVFFKKL-CYBMUJFWSA-N	366.417	2.367	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(O)c3C)cc2)CC1	190236535	WPCYENWKPCCVKY-UHFFFAOYSA-N	367.449	2.299	10	10	FECE	
CC[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CCN1C[C@H](C)O	253005498	DJYCGCYMMQRXBD-HKUYNNGSSA-N	374.529	2.273	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cc3noc([C@H]4CC4(C)C)n3)CC2)cc1	278221530	ZUHJSEKLCYCYDQ-MRXNPFEDSA-N	370.453	2.483	10	10	FECE	
COc1cc(O)c(CN2CCOC[C@@H]2c2c(C)nn(C)c2C)cc1OC	371444011	VEYOFGFHLZEDHB-OAHLLOKOSA-N	361.442	2.333	10	10	FECE	
CCn1nccc1CCN(CC(=O)OC)Cc1cc(Cl)ccc1O	284477170	SXMMYAMVXXPDGM-UHFFFAOYSA-N	351.834	2.480	10	10	FECE	
COCCN(CCO)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2	388664859	PHGYPCAUQFNSKW-UHFFFAOYSA-N	365.474	2.007	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@H]3CC[C@H](OC)C3)cc2F)CC1	826719059	DBMDRWFVHOAXCX-IRXDYDNUSA-N	363.477	2.399	10	10	FECE	
COC(=O)c1cnc(SCC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)s1	829684082	GXBZLXOCBJRCOG-VIFPVBQESA-N	366.468	2.250	10	10	FECE	
C[C@@H](NC(=O)c1cn(CC2CC2)nn1)c1ccc(N2CCOCC2)cc1	825421299	QQYNNRXVRZIJFU-CQSZACIVSA-N	355.442	2.016	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O	588585973	WAJKSBWJEMIVBF-FAOGRTBUSA-N	370.380	2.167	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCN(CC(=O)N3CCCCC3)CC2)cc1	835026341	VHQSSAGYIFYEHY-VOTSOKGWSA-N	370.541	2.396	10	10	FECE	
C[C@H](NC[C@@H]1CS(=O)(=O)c2ccccc2O1)c1cc(F)ccc1O	842885174	WKHWAXLHMRQBPQ-WCQYABFASA-N	351.399	2.417	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)N1C(=O)N[C@@H](c2ccn(C)n2)C1=O	842264349	IIMREKRGSTUBHP-DYVFJYSZSA-N	355.442	2.019	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC(c3ccco3)CC2)c1	855291370	HHRVWDSZSRCCFE-UHFFFAOYSA-N	364.423	2.377	10	10	FECE	
COCc1ccc([C@@H]2COCCN2C(=O)/C=C/c2ccc(O)c(O)c2)o1	928524517	YCMGRUFSFCJVHR-MIOHMZDASA-N	359.378	2.451	10	10	FECE	
O[C@@H](CNCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1ccccn1	853104767	XHUYULHTERDKGY-QFIPXVFZSA-N	366.509	2.437	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cn4nccc4nc3C)C2)cc1	855223109	DZOSLEXQRNHKQW-AWEZNQCLSA-N	351.410	2.055	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CCCOC3CCOCC3)C2)cc1	869232282	ZSZHMLHSTPVQNN-INIZCTEOSA-N	362.470	2.366	10	10	FECE	
CC(=O)c1cccc(NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1	865936374	KCOPMUGZWUSMOZ-UHFFFAOYSA-N	359.451	2.131	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)NCC(F)(F)CO)CCCC1	1138103542	AFUGEDHOAOQXCO-UHFFFAOYSA-N	352.381	2.273	10	10	FECE	
COc1cncc(S(=O)(=O)NCc2cc(Br)ccc2O)c1	796191196	QDRDNSIIROSQIS-UHFFFAOYSA-N	373.228	2.037	10	10	FECE	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NCc3nnc(O)n3C)c2C)c1	1143604275	YJTIQVOYGSARQY-UHFFFAOYSA-N	353.426	2.475	10	10	FECE	
O=C(C(=O)N1Cc2cccc(O)c2C1)N1CCC2(CC1)C(F)(F)C2(F)F	1332054722	RTPWZCIACKZBCZ-UHFFFAOYSA-N	372.318	2.127	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H]4COC(=O)[C@H]4C3)ccc21	1438194509	ZWCRYFYYNSGUSX-RDJZCZTQSA-N	356.422	2.150	10	10	FECE	
O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1Cc2cccnc2C1	1517400300	XWXXNFNMAZSMJJ-LBPRGKRZSA-N	360.797	2.269	10	10	FECE	
Cc1nn(-c2ccccn2)c(C)c1CC(=O)NCCc1ccc(O)c(O)c1	1294908529	FTIGSDVHDXURKB-UHFFFAOYSA-N	366.421	2.197	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)COc1ccc(C(N)=O)cc1	1525106525	ITIHAGZWTJYFDZ-UHFFFAOYSA-N	367.449	2.423	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCCC(=O)NCc2ccccc2)cc1	1464554596	HHQLTNLNUNONSC-UHFFFAOYSA-N	353.382	2.285	10	10	FECE	
Cc1nnc(N2CCC(CO)CC2)n1Cc1ccc2c(c1)CCCN2C	1707884327	FDSBAWWBOLRYPL-UHFFFAOYSA-N	355.486	2.226	10	10	FECE	
CCN(CC)C(=O)N1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1	1543893252	RBBHOZAVXZFSOO-UHFFFAOYSA-N	360.418	2.069	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1cc(Br)c2nccn2c1	1558175140	FDJUWMOBYWZXOP-UHFFFAOYSA-N	362.183	2.438	10	10	FECE	
COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)/C=C/c1ccc(O)c(O)c1	1634854250	VYUVEURQIMQJGN-FUVBFXSKSA-N	359.353	2.151	10	10	FECE	
CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H](c1ccccc1)c1nc[nH]n1	1637574696	KJHRDEIWEVCMJK-LNENJAERSA-N	350.378	2.477	10	10	FECE	
COC(=O)c1sc(NC(=O)/C(=C\C2=S=CC=C2)NC(C)=O)cc1C	1642546891	NQBFPGQVXPLGPQ-XYOKQWHBSA-N	364.448	2.079	10	10	FECE	
COC(=O)c1c(CC(=O)NCc2c(O)cccc2F)[nH]c(C(C)=O)c1C	1646029506	ZBGNTTZOTPDPLQ-UHFFFAOYSA-N	362.357	2.016	10	10	FECE	
CC(C)OCCN1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C	1689340293	LCKZYKPETNBFLT-CJNGLKHVSA-N	361.446	2.467	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@H](c2nncn2C2CC2)C1	1772911341	SACOIFLBZJWUNU-SMGNDMQFSA-N	354.410	2.444	10	10	FECE	
COc1cc(Br)cc(CN2C[C@@H](C(N)=O)CC[C@H]2C)c1O	159533873	PUTMESBZBLWACS-ZJUUUORDSA-N	357.248	2.249	10	10	FECE	
C[C@@H](N)c1ccc(N2CC[C@@H](CS(C)(=O)=O)C2)cc1Br	2143667430	GGBHBQSXUDNFQS-GHMZBOCLSA-N	361.305	2.340	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N(C)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12	2163019075	BAEQNXNLEMPFBT-KCXAZCMYSA-N	374.485	2.393	10	10	FECE	
CC(C)(C)OC(=O)N1CC([C@H]2CCN(CC(=O)Nc3ccc(N)cc3)C2)C1	2163011950	DEHRSAALAWSNIR-AWEZNQCLSA-N	374.485	2.396	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@H]1NCc1cccc(O)c1O	387917505	BCBGQGOIQNZXKZ-PWXKEOIMSA-N	364.442	2.258	10	10	FECE	
C[C@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C)c1ccc(O)cc1O	394426010	RHRCTRQOACBQAY-UONOGXRCSA-N	365.474	2.300	10	10	FECE	
CC(C)(C)OC(=O)NC1(CC(=O)C(=O)C[C@H]2C[C@H](N)C2)CCSCC1	2049785533	BRAGOLZSXRGEJP-JOCQHMNTSA-N	370.515	2.433	10	10	FECE	
C[C@H](C[S@](C)(=O)=NC(=O)c1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2054418621	VEBAMUKDAODXKE-JUTIIYIPSA-N	372.443	2.249	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(O)c(O)c2)C(C)(C)C1	2054416139	CZVCPMULFMTUKY-AWEZNQCLSA-N	350.415	2.473	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2060609283	UBFAXYCFDIFBRR-BLLLJJGKSA-N	353.423	2.050	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](C(=O)NCCCN=[N+]=[N-])C[C@@H]21	2079201311	NNMOLFHNNQLWJU-FRRDWIJNSA-N	353.423	2.218	10	10	FECE	
CN[C@@H](c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)c1ccccc1O	2090037463	NBICPSPCGPSYRI-MRXNPFEDSA-N	359.430	2.084	10	10	FECE	
COCC[C@H](CNCc1c(O)cccc1OC)NC(=O)OC(C)(C)C	2218565087	MAOLWDPSTAWMNQ-CYBMUJFWSA-N	354.447	2.420	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2218738508	PQYZCAAHIOQGKY-YVECIDJPSA-N	353.423	2.358	10	10	FECE	
O=C(O)[C@@H]1CC[C@H](O)CN1Cc1cc(Cl)cc(Br)c1O	2279185764	HSSAPCOVTAVJNH-ONGXEEELSA-N	364.623	2.218	10	10	FECE	
CCCNC(C)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1CC(=O)OC	2313681615	JGKRRJAUGTWREI-UHFFFAOYSA-N	360.370	2.134	10	10	FECE	
CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NN1CCOCC1	2313681861	PEAYNPPBNSXIAL-UHFFFAOYSA-N	357.439	2.130	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN(C)Cc3ccc(F)cc3)nc12	51532631	WPKPNAYTHIGWJV-UHFFFAOYSA-N	358.373	2.383	10	10	FECE	
CC(C)N1CCO[C@H](CN2CCN(Cc3cc4c(cc3O)CCC4)CC2)C1	117325513	HMBOQIDDNWZNDK-OAQYLSRUSA-N	373.541	2.108	10	10	FECE	
CN1CCN(C(=O)CC2CCN(Cc3c(O)cccc3Cl)CC2)CC1	120001530	BORSXQKYLVQBCM-UHFFFAOYSA-N	365.905	2.422	10	10	FECE	
CCN(CC)c1ccc(/C=C\c2nc(O)[nH]c(=O)c2[N+](=O)[O-])c(OC)c1	33458613	DRJCBQPLFWXNME-CLFYSBASSA-N	360.370	2.409	10	10	FECE	
CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(N3CCOCC3)cc2)C1	190157756	KDICTWLDCFKXPE-QZTJIDSGSA-N	358.442	2.177	10	10	FECE	
CC(C)OC(=O)[C@H](C)CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1	255902699	VMUWECRKRPVRSA-CXOKCQFOSA-N	360.454	2.240	10	10	FECE	
CCc1cc(CN2CCO[C@@H](CNC(=O)NC)C2)c(O)c(C(C)(C)C)c1	530103682	LRFJWZPCYUCOQS-INIZCTEOSA-N	363.502	2.382	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)COc3ccc(N)cc3)C[C@H]21	2132357324	QFWGZZQHOHLULT-CZUORRHYSA-N	361.442	2.115	10	10	FECE	
COC(=O)[C@@H]1CCN(CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)C1	827434474	FYHIHHCDISOEPI-CQSZACIVSA-N	359.401	2.306	10	10	FECE	
COc1cccc(CN[C@@H]2COC3(C2)CN(C(=O)OC(C)(C)C)C3)c1O	827065124	HZHPGKVOHGNJFF-AWEZNQCLSA-N	364.442	2.269	10	10	FECE	
O=S1(=O)C[C@@H](CNCc2cc(Cl)ccc2O)Oc2ccccc21	842722211	OAPSPNFERFKMOT-CYBMUJFWSA-N	353.827	2.370	10	10	FECE	
CCO[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@H]1CNC(=O)OC(C)(C)C	846658818	MAAIECQYUSUJKD-DGCLKSJQSA-N	370.471	2.456	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCCN1CCCC1=O	840238885	SLBYAJJJFGQXIY-MRXNPFEDSA-N	360.502	2.304	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CCCN(c3cnn(C)c3)C2)c1	756613081	NTESEHITVDLJMW-ZFWWWQNUSA-N	358.442	2.232	10	10	FECE	
CC1(C)[C@H]2NCCC[C@H]2[C@@H]1NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	925484859	JAZTUPWWQAJVPG-RNQOJCNYSA-N	370.541	2.255	10	10	FECE	
O=C(NCc1c(O)ccc2c1CCCC2)c1cn([C@@H]2CCCNCC2)nn1	852884799	OOCZXONJRRVFTB-OAHLLOKOSA-N	369.469	2.107	10	10	FECE	
C[C@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@@H](C)[C@@H]1O	853435712	NENQCRNWXOBGMP-HWWDLCQESA-N	363.527	2.398	10	10	FECE	
COc1ccc(CNC(=O)N[C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)c(O)c1	869023775	MWOHLLGBAPJDIB-BETUJISGSA-N	350.415	2.320	10	10	FECE	
COC(=O)[C@]1(OC)CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1	862739091	GATPXOAWZNBXBI-FQEVSTJZSA-N	356.422	2.498	10	10	FECE	
CO[C@H](C)CCNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	768722689	YJIHRXPOHFLUAE-QGZVFWFLSA-N	374.529	2.443	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCC[C@H](F)C3)CC2)cc1	1118155249	NFUOJAMXHGHHPR-SJORKVTESA-N	363.477	2.462	10	10	FECE	
COC(=O)c1c(CNC[C@H]2CCOC[C@H]2OC)c2cc(F)ccc2n1C	894887364	DRBKXEOURBZQOW-SJKOYZFVSA-N	364.417	2.245	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)NC3(c4nn[nH]n4)CCC3)c2C)cc1	1153871286	DFTJIBQHMUVGNJ-UHFFFAOYSA-N	366.425	2.425	10	10	FECE	
Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCc1c(O)cccc1O	1178905424	NDHVHUOSDOTPEB-UHFFFAOYSA-N	365.389	2.399	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)c1ncc([N+](=O)[O-])cc1C(N)=O	1184711132	PTENUCOAUQICIY-UHFFFAOYSA-N	355.398	2.325	10	10	FECE	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@@]1(CO)COCC2(CCC2)N1C	1348111019	QRJOETAFBJPJLA-WHSLLNHNSA-N	360.498	2.454	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4C[C@H](C3)C4O)ccc(N)c2C1	2116301803	RWBPHEJVHXNUFD-NCNPBXTDSA-N	359.470	2.379	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H](C)CN1CCOCC1	1727507646	PVRMBBVTWOLYNX-MRXNPFEDSA-N	373.501	2.151	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)Cn1ncc(Br)c1C	1636063090	OKGJSNLLSWQYOJ-UHFFFAOYSA-N	373.247	2.462	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3ccc(C4CC4)nc3O)cc2)CC1	1633252967	VOZLBSZXIPMDAJ-UHFFFAOYSA-N	366.465	2.346	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1cn2ccc(Br)cc2n1	1651225369	HBPLULCDONOZMI-UHFFFAOYSA-N	362.183	2.438	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1[C@H]2CC[C@H]1N(CC(=O)Nc1ccc(N)cc1)C2	2127634784	BZFPBDDQJGQMMB-MJEQTWJJSA-N	360.458	2.195	10	10	FECE	
COC(=O)c1c(NC(=O)[C@@H]2C[C@H](O)CN2)sc(C)c1-c1ccccc1	1866042407	YWWHRXGQTIWPBK-STQMWFEESA-N	360.435	2.171	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(CC(=O)C(=O)C[C@H]2C[C@H](N)C2)CCSC1	2003169425	KKVXKCRCDBJAAH-PSTGCABASA-N	356.488	2.043	10	10	FECE	
C[C@H]1[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)CCN1C(=O)OC(C)(C)C	2044252699	HIAISFAOCILZGG-WFASDCNBSA-N	369.487	2.086	10	10	FECE	
Cc1cccc(O)c1CN[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO	2052717415	RGTOIGWXGYAALG-GDBMZVCRSA-N	350.459	2.408	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C(=O)NCC2(CN=[N+]=[N-])CC2)C1	2073948549	BIKLHGOBLDRWNX-NWDGAFQWSA-N	353.423	2.265	10	10	FECE	
CO[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(C)c1O	2084068618	QOLWLGARWVKFQG-GXTWGEPZSA-N	352.431	2.245	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)[C@@H](O)C1(NC(=O)OC(C)(C)C)CC1	2106860733	UXIUKMGGLWJFTG-IAGOWNOFSA-N	361.486	2.358	10	10	FECE	
COC(=O)[C@@H](CCN[C@@H](C)c1cc(O)ccc1O)NC(=O)OC(C)(C)C	2088543155	PFEZQAVMUXTVBZ-SMDDNHRTSA-N	368.430	2.205	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](NC(=O)c2ccc(O)c(O)c2)C1	2219135333	QXENRBHBJZLPTN-NWDGAFQWSA-N	354.378	2.175	10	10	FECE	
CCCn1cnnc1COC(=O)C=Cc1ccc(N2CCOCC2)cc1	2302141863	GFUAYYJSGWSOOZ-UHFFFAOYSA-N	356.426	2.281	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@]1(CNC(=O)OC(C)(C)C)CCCOC1	2315992464	MOHQNYCQBTWWRJ-INIZCTEOSA-N	355.439	2.467	10	10	FECE	
CN(C[C@](C)(NCc1ccc2c(c1)CCO2)C(=O)O)C(=O)OC(C)(C)C	2351450973	QPCGHIBBFXIEJD-IBGZPJMESA-N	364.442	2.421	10	10	FECE	
Cc1cc(C(=O)N2C[C@H](C)[C@@H](N3CCOCC3)C2)c(C)n1-c1ccccn1	173806542	PBJJFDWGMKNUJP-KXBFYZLASA-N	368.481	2.282	10	10	FECE	
CN1C(=O)CC[C@H](C(=O)NCCc2ccc(O)c(O)c2)[C@@H]1c1ccccc1	179093790	ZBSXEYKHNCQYEN-JXFKEZNVSA-N	368.433	2.366	10	10	FECE	
COc1ccc(N2CCC(N[C@H]3CCC[C@H]3S(C)(=O)=O)CC2)cc1	182764216	CZIRWLDLLQIFPE-ZWKOTPCHSA-N	352.500	2.219	10	10	FECE	
Cc1noc([C@@H](C)NC(=O)NCc2cc(Br)ccc2O)n1	805187191	ZTXAPFISQFNEQG-SSDOTTSWSA-N	355.192	2.407	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3CCO[C@@H](C(F)F)C3)CC2)cc1	802091503	PKGDEDBUPJJTIK-MRXNPFEDSA-N	369.412	2.340	10	10	FECE	
COc1cc(C)c(NC(=O)C(=O)N(C)Cc2ccccc2O)cc1OC	298951404	IPUJGRHWMXWSFE-UHFFFAOYSA-N	358.394	2.315	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C(C)(C)C1	2132406378	HQFNESYQVTZYSV-CYBMUJFWSA-N	366.414	2.179	10	10	FECE	
CC(C)(CNC(=O)NCc1ccc(N2CCCC2)cc1)[C@@]1(O)CCOC1	825770009	GKOZRMKJXTVVRJ-HXUWFJFHSA-N	361.486	2.264	10	10	FECE	
COc1ccc(N2CCCN(CN3Cc4cccnc4C3=O)CC2)cc1	839968176	FFDCVKMYCSYSOC-UHFFFAOYSA-N	352.438	2.216	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2nnc(O)n2C)cc1F	917611787	YWBLOJCPYWMCOB-NSHDSACASA-N	364.425	2.066	10	10	FECE	
Nc1ccc(NC(=O)C(=O)NCCN2CCc3c(Cl)cccc3C2)cc1	841115508	NPEVOPZYCULCHX-UHFFFAOYSA-N	372.856	2.035	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)[C@@H]3Cc4ccccc43)CC2)cc1	742056753	BPGPRTUKDUVDMF-OAQYLSRUSA-N	365.477	2.273	10	10	FECE	
COc1ccccc1N1CC[C@@H](NC(=O)NCCc2ccc(N)cc2)C1	841857376	XFMAXJTVELDRSB-QGZVFWFLSA-N	354.454	2.398	10	10	FECE	
COc1ccc(N2CCN(C(=O)COC(=O)[C@@H]3CCC[C@@H]4C[C@H]43)CC2)cc1	849860151	SXNJIAHPPVEQEB-ATZDWAIDSA-N	372.465	2.323	10	10	FECE	
NCCc1ccccc1C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1	846672226	DQKJCZOTKQIPJW-UHFFFAOYSA-N	366.465	2.142	10	10	FECE	
COC(=O)/C=C\c1ccc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)o1	855225709	LQEJQYWUOOBCCE-GDAGCXPBSA-N	370.405	2.483	10	10	FECE	
COCc1nc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n(C)n1	853798871	JEFGGNUBFCIAPK-UHFFFAOYSA-N	357.458	2.224	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CNC3(COC)CCCCC3)nc12	852771994	FIUHGPXZHDXBEE-UHFFFAOYSA-N	362.430	2.051	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H](C)N(C4CC4)C3)C2)cc1	852195838	LCLWUNZPKNTNEA-OWCLPIDISA-N	358.486	2.198	10	10	FECE	
COc1ccc([C@@H]2CCNC[C@@H]2NC(=O)NCCc2ccc(N)cc2)cc1	851662155	AVAJEUVCEMSHCC-PMACEKPBSA-N	368.481	2.265	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3C[C@H](O)C34CCC4)C2)cc1	854187252	JQGQWEFTWBCXDV-OLMNPRSZSA-N	359.470	2.124	10	10	FECE	
COc1cccc(Nc2ccc(NC[C@@H](O)CN3CCN(C)CC3)cc2)c1	863571414	YAMWXKYHAWCWHZ-HXUWFJFHSA-N	370.497	2.459	10	10	FECE	
Nc1ccc(NC(=O)NCC2(O)CCN(Cc3ccccc3)CC2)cc1	1876152284	CYVBRCKRWSQOCS-UHFFFAOYSA-N	354.454	2.417	10	10	FECE	
Cc1cc(C(=O)NC[C@@H]2CN3CCCN2CC3)c(C)n1-c1ccc(F)cc1	773526983	BHWNYBSOFKNXTR-LJQANCHMSA-N	370.472	2.353	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(C(=O)NC2CC2)c1	784463755	VIQSPKYDDDABSU-GFCCVEGCSA-N	354.406	2.351	10	10	FECE	
COc1ccc(N2CCCN(C(=O)Nc3cn(C)nc3OC)CC2)cc1	789327895	XIZBNJGZQBPFFU-UHFFFAOYSA-N	359.430	2.182	10	10	FECE	
COc1cc(CN[C@H]2C(=O)NCC23CCOCC3)c(O)c(C(C)(C)C)c1	895764767	IVHMNFJYQBUWOV-KRWDZBQOSA-N	362.470	2.083	10	10	FECE	
Cc1nc2c(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)ccnc2[nH]1	797801959	BATAJTDBKVKYFK-UHFFFAOYSA-N	365.437	2.375	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N3CC(=O)N(C)[C@@H](C)C3)cc2)CC1	799923283	HCOHVNUZQRQKGF-INIZCTEOSA-N	358.486	2.295	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@@H](O)c1cnc[nH]1	1155090775	HPOFYEJPPBJNAO-GOSISDBHSA-N	352.394	2.093	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1	1302993048	JASOAAMNIYJAEV-WKILWMFISA-N	374.462	2.212	10	10	FECE	
COCCN1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C(C)(C)C1	1452763907	IIZLZMGBZSRDFM-UHFFFAOYSA-N	364.467	2.495	10	10	FECE	
C[C@@H](NC(=O)c1cc(S(N)(=O)=O)oc1Cl)c1ccc(N(C)C)cc1	1296648470	LKCTYFPESUXMJU-SECBINFHSA-N	371.846	2.137	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H]3CSC[C@H]3C)CC2)c(OC)c1	1478612492	UXDDZYUGOYMRER-HIFRSBDPSA-N	365.499	2.287	10	10	FECE	
O=C(Nc1nnc2ccc(Br)cn12)c1c(F)ccc(O)c1O	1558983619	WXTZFRJTGXLZFJ-UHFFFAOYSA-N	367.134	2.294	10	10	FECE	
NC(=O)[C@H]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)O1	1559138108	YHDPFOJQVILSTJ-RHSMWYFYSA-N	369.377	2.271	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1Cc1nnc2n1CCCCC2	1492782065	WGYRPTOQPAWKKI-UHFFFAOYSA-N	367.457	2.295	10	10	FECE	
CCc1nc(C(=O)NCc2ccc(O)cc2O)nn1-c1ccccc1F	1643104209	QFPFNFLNCSKFKM-UHFFFAOYSA-N	356.357	2.310	10	10	FECE	
C[C@@H](NC(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1O	1648890035	XDEJPJKGASURSU-NEPJUHHUSA-N	363.414	2.239	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCN[C@@H](c3ccc(O)cc3)C2)cc1	1641820328	LLTBRCGSLYFHEQ-MRXNPFEDSA-N	353.382	2.341	10	10	FECE	
COC(=O)[C@@H](C)N1C(=O)/C(=C\c2cc(OC)ccc2OC)SC1=S	6098107	HXPMDJWREVGHAM-TVNQGELYSA-N	367.448	2.467	10	10	FECE	
CO[C@H](CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@H]1CCOC1	1674312155	PGAMGNCBOBXJAQ-PKOBYXMFSA-N	361.486	2.480	10	10	FECE	
CN1CCc2cc([C@H](N)[C@]3(O)CCN(C(=O)OC(C)(C)C)[C@@H]4C[C@@H]43)ccc21	2177678655	LPQVBEGHUATCIG-DKXUYOFUSA-N	373.497	2.439	10	10	FECE	
CC(C)(CCNC(=O)OC(C)(C)C)NC(=O)COc1ccc(N)cc1	2044204817	RDWRHXDMMJYDPA-UHFFFAOYSA-N	351.447	2.457	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2C[C@@H]2[C@@H]1CNC(=O)OC(C)(C)C	2198973573	AINDTOTUNWFOCW-OQUILHJVSA-N	374.485	2.441	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)Nc1ccc(N)cc1	2058676972	RLCMILQTZAOZHW-KBPBESRZSA-N	350.419	2.025	10	10	FECE	
C[C@@H](CCNC(=O)c1cc(O)c(O)c(O)c1)N(C)C(=O)OC(C)(C)C	2068618366	QCICUTFCLXZVCP-JTQLQIEISA-N	354.403	2.179	10	10	FECE	
COc1ccc(C=C2C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1O	2297327132	GIMMTJWPPNPPEQ-UHFFFAOYSA-N	370.336	2.202	10	10	FECE	
C[C@@H](NC(=O)[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O	2311010319	ONDOGZCGDHEMHD-BNOWGMLFSA-N	350.415	2.109	10	10	FECE	
C[C@H]1CCCN(S(=O)(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1	65277560	AGOPJQYIBINPKA-HOTGVXAUSA-N	367.515	2.151	10	10	FECE	
NC(=O)c1coc(CNC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c1	189432814	FDRCUHZDPXQFOP-UHFFFAOYSA-N	374.352	2.084	10	10	FECE	
CCCn1cc(CN2CCCN(C(=O)c3cccc(O)c3O)CC2)cn1	193026134	PCYUWAMHQSFCNH-UHFFFAOYSA-N	358.442	2.052	10	10	FECE	
O=C(N[C@H]1CC[C@H](Oc2ncc(Cl)cn2)CC1)c1cc(O)nc(O)c1	238820680	COPOTJISKHOABD-HAQNSBGRSA-N	364.789	2.056	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN(C(C)=O)c3ccccc3)CC2)cc1	242627318	COBHZKPWTDGVSA-UHFFFAOYSA-N	367.449	2.397	10	10	FECE	
c1cc(N2CCOCC2)ccc1CN1CCC(c2nnc3n2CCC3)CC1	369410568	XRWXQNWIKZPXTK-UHFFFAOYSA-N	367.497	2.441	10	10	FECE	
Cc1cc(COCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)on1	800865789	UUVZJEZLEBYCRL-HNNXBMFYSA-N	359.426	2.214	10	10	FECE	
O=C(CNC(=O)NCc1cc(Cl)cc(Cl)c1O)NCC(F)(F)F	804973619	XGASXQXVUBTSRP-UHFFFAOYSA-N	374.146	2.177	10	10	FECE	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1CCO[C@H]1C1CC1	909855156	DBHNBRWEVDSPRX-KDOFPFPSSA-N	366.408	2.233	10	10	FECE	
CN(C)c1ccc(CNC(=O)N[C@H]2C[C@@H]3OC(C)(C)O[C@@H]3C2)cc1F	915367261	YEURQLOCZXBTFO-DVSIDAKKSA-N	351.422	2.373	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNCc3cc4n(n3)CCCC4)cc2)C1	848529337	SJPCIIKKVKJRFA-QGZVFWFLSA-N	367.497	2.211	10	10	FECE	
Cc1cc(Cl)cc(CN2CCC(N3C[C@@H](C(=O)O)CC3=O)CC2)c1O	844933150	CMZBSKFZTVGVSG-ZDUSSCGKSA-N	366.845	2.252	10	10	FECE	
O=C(NCc1c(O)cccc1F)N[C@@H]1CCCN(C(=O)N2CCCC2)C1	922434287	WILLNAHUMQXREM-CYBMUJFWSA-N	364.421	2.011	10	10	FECE	
Cc1cc(CC(=O)N2CC(CN3CCOCC3)C2)c(C)n1-c1ccccc1	854590218	QWACOBPXKPVFSR-UHFFFAOYSA-N	367.493	2.427	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3c(C)nc4ccnn4c3C)C2)cc1	855233697	KSHHPTZKLDGWQC-OAHLLOKOSA-N	365.437	2.363	10	10	FECE	
CCc1ncc(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)o1	852372918	HXOFBNJOCLVDBA-UHFFFAOYSA-N	358.442	2.198	10	10	FECE	
C[C@@]1(Br)C[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1	858724129	KFSYWEJQSDOIJJ-GDBMZVCRSA-N	353.260	2.313	10	10	FECE	
C[C@@H](N[C@@H]1CCN(C2CCC2)C1=O)c1ccc(N2CCOCC2)c(F)c1	858602518	AUBPHOYYRZOAMA-RDTXWAMCSA-N	361.461	2.466	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1	869996517	FZOXKVIQHPTUQM-OALUTQOASA-N	371.462	2.280	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCn4cc(C)nc4C3)C2)cc1	862158413	GTEXHYXXJRHBJO-HZPDHXFCSA-N	354.454	2.158	10	10	FECE	
CN(C)c1ccc(CNC[C@]23COCCN2C(=O)OC3)c(C(F)(F)F)c1	865769813	DPPVXBVMVJUAGX-MRXNPFEDSA-N	373.375	2.082	10	10	FECE	
C[C@@H](CO)COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	766663206	SQUAOVBSMRSYBL-JTQLQIEISA-N	369.329	2.155	10	10	FECE	
COc1cc(CNCC2(S(=O)(=O)N(C)C)CC2)c(O)c(C(C)(C)C)c1	886319638	KBOMZDATWINDAA-UHFFFAOYSA-N	370.515	2.212	10	10	FECE	
COCCN(Cc1ccnn1C)C(=O)NCc1ccc(N2CC=CC2)cc1	787263963	PEUYJJVMIFVSAF-UHFFFAOYSA-N	369.469	2.155	10	10	FECE	
C[C@@H](NC(=O)[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O	1877573045	FXSRLVSITXSIFI-BFUOFWGJSA-N	364.442	2.331	10	10	FECE	
Cc1cccc(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1	788153089	IMBVIFSJWWVMFH-UHFFFAOYSA-N	366.465	2.263	10	10	FECE	
CCNC(=O)C[C@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1	1881482250	GRRQHNXUJVBUDZ-MRXNPFEDSA-N	364.490	2.001	10	10	FECE	
CCS(=O)(=O)N(C)c1ccc(NC(=O)c2cccc(O)c2O)cc1	1147765877	YJNJAQWBQWKHSB-UHFFFAOYSA-N	350.396	2.136	10	10	FECE	
CN(C)c1ccc([C@H](CN)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)cc1	1881662163	WRJXVINFEABPRV-KSZLIROESA-N	360.502	2.446	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)CCC(C)=O	1338287032	INQHYWZEQUOMAV-AWEZNQCLSA-N	365.426	2.084	10	10	FECE	
CCC(F)(F)CNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	1331511530	ZOPHZHJPDIOUMT-UHFFFAOYSA-N	370.444	2.162	10	10	FECE	
CCOc1ccc(N2C[C@H](C(=O)NCc3cccc(O)c3O)CC2=O)cc1	1347531496	YTCKEMGFCLPWRX-CQSZACIVSA-N	370.405	2.166	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3C[C@H](CO)[C@@H](CCO)C3)c2C)cc1	1348197448	AVHHJYFCVFCEAZ-DLBZAZTESA-N	372.465	2.166	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H](Nc2ncccn2)C1	1452262037	RNMYUGCGTSECJS-LLVKDONJSA-N	356.407	2.429	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNCc2ccc3c(c2)CCO3)C[C@H]1O	2116202043	HNWBOYOCWDIJKZ-USXIJHARSA-N	362.470	2.375	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCc2cnc(N3CCOCC3)s2)cc1	1297166305	AKWFZIWBLPOTSD-UHFFFAOYSA-N	374.426	2.072	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2Cc3cccnc3C2)N(C)C)cc1	1520647813	WZYNZEHRHUIQOK-YLJYHZDGSA-N	352.482	2.282	10	10	FECE	
C#CCN1CCN(c2nnc(C)n2Cc2ccc(N(CC)CC)cc2)CC1	1705634884	LFMDUZQOONUJIS-UHFFFAOYSA-N	366.513	2.236	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)OC[C@@H]2C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2124536369	QUIFJJSGPXXWFV-MQYQWHSLSA-N	365.434	2.170	10	10	FECE	
Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=N[C@H]1CCc2cccc(O)c21	2126731937	YJSWFEAUNDZCTG-LBPRGKRZSA-N	359.430	2.067	10	10	FECE	
C[C@@H](NC(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1)c1ccccc1O	1685572693	ZFYHCHLCSMDZHN-VXGBXAGGSA-N	351.403	2.303	10	10	FECE	
O=C(N[C@@H]1CCc2ncnn2C1)N(Cc1ccco1)Cc1ccccc1O	161363448	NPCBDWNBCMWJJU-OAHLLOKOSA-N	367.409	2.304	10	10	FECE	
C[C@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1n1ccnc1	156543235	BBWRLTIYLFTLSH-LPHOPBHVSA-N	355.486	2.148	10	10	FECE	
Cc1cc(N=Nc2ccccc2)c(NC[C@H](O)[C@@H](O)[C@@H](O)CO)cc1C	253982908	NARUXRZZSJCXFJ-GBESFXJTSA-N	359.426	2.206	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)c1nc(=NC(=O)Nc2ccc(N)cc2)[nH][nH]1	2130120133	ZOTSGPJTWRRYFS-VIFPVBQESA-N	361.406	2.039	10	10	FECE	
CCOC(=O)c1sc(NC(=O)CNCc2cc(C)ccc2O)nc1C	1857876702	NSXQBBLMLKNJCW-UHFFFAOYSA-N	363.439	2.371	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccc(N)cc1)[C@H](O)C(C)(C)C	2136279888	KBMYIIWIZLIJBD-CABCVRRESA-N	365.474	2.185	10	10	FECE	
COc1cc(N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)ccc1CN	2139699685	ZAJNZWRUNHPZRS-PZJWPPBQSA-N	353.466	2.244	10	10	FECE	
CN(Cc1cscn1)c1cc2c(cc1Br)[C@H](N)C(=O)N2	118712247	VBFWQLHCYRDOPG-LBPRGKRZSA-N	353.245	2.494	10	10	FECE	
O=C(O)[C@H]1[C@H]2[C@@H]1OCCN2Cc1cc(Cl)cc(Br)c1O	2149274423	AQTUJUSTDXDUSK-JBLDHEPKSA-N	362.607	2.092	10	10	FECE	
CCCN(C[C@H](O)CN1C(=O)c2ccccc2C1=O)c1ccc(N)cc1	1994842516	OORIOCUTXYETEE-INIZCTEOSA-N	353.422	2.142	10	10	FECE	
Oc1cccc(Cl)c1CN=c1[nH]ccnc1I	2008698026	PADXCCLMEZTWCC-UHFFFAOYSA-N	361.570	2.474	10	10	FECE	
Nc1ccc(CCC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1	312018013	KMLSQZSRTVAXHP-FQEVSTJZSA-N	353.466	2.219	10	10	FECE	
C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)CCOc1ccc(N)cc1	2162981310	QUAFNRDAAREYJT-SMDDNHRTSA-N	373.375	2.096	10	10	FECE	
C[C@@H]1COC[C@@H](C(=O)N2CCC(N=[N+]=[N-])CC2)N1C(=O)OC(C)(C)C	2060621169	KQOLLNGDGXAJNI-YPMHNXCESA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CC[C@H](N=[N+]=[N-])C2)OCC1(C)C	2060636434	XXPHTGVFFXUKTQ-RYUDHWBXSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)Nc2ccc(N)cc2)CC1	2106694826	KBMJUJQSMPLUIY-UHFFFAOYSA-N	364.446	2.152	10	10	FECE	
COc1ccc(N2C[C@@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c(OC)c1	2219646161	YJKGIKPROHTZIF-OLZOCXBDSA-N	352.431	2.168	10	10	FECE	
CSc1ncc(CNC(=O)[C@@H](N)[C@H](C)OCc2ccccc2)s1	2243789309	CYFYXCATOZHTNB-FZMZJTMJSA-N	351.497	2.414	10	10	FECE	
C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@@H]1CCCN1C(=O)OC(C)(C)C	2271392740	FWPSVWPPIRVBGF-JQWIXIFHSA-N	366.414	2.321	10	10	FECE	
Cc1cccc2c1NC(=O)C2=C1SC(=S)N(CCCC(=O)O)C1=O	2296650718	HNFFUHYLXZQFRG-UHFFFAOYSA-N	362.432	2.383	10	10	FECE	
COc1ccc(CN2C(=O)NC(=O)C(=Cc3ccc(F)cc3)C2=O)cc1	2296925662	ULEAHZRFUXGMDE-UHFFFAOYSA-N	354.337	2.496	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])O1	2312333852	CTEHUBHYIQHUHT-FVCCEPFGSA-N	353.423	2.406	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21	2315989900	VNHOMJZIYIITED-YNEHKIRRSA-N	353.423	2.027	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N[C@H]3CCC[C@H]3N=[N+]=[N-])[C@@H]2C1	2333612870	CYPNQJJYNSGZPQ-YHQUGGNUSA-N	365.434	2.216	10	10	FECE	
CCC(C)(C)NC(=O)CN(CC(=O)OC)Cc1cc(Cl)ccc1O	109779840	NQXXCLBZFPWANW-UHFFFAOYSA-N	356.850	2.325	10	10	FECE	
CC(C)N1[C@H]2CC[C@H]1CN(c1cc3c(cc1[N+](=O)[O-])OCC(=O)N3)CC2	301689640	MZKRYCIESJJAOA-STQMWFEESA-N	360.414	2.377	10	10	FECE	
NCc1ccc(N2CCN(c3nncs3)CC2)c(Br)c1	2362026196	ZUBUULZXWOIUNI-UHFFFAOYSA-N	354.277	2.086	10	10	FECE	
Cc1ccc(C(=O)O)cc1-n1c(C)cc(CN2CC[C@@](N)(C(=O)O)C2)c1C	67841325	GMXZNFPJRGSKME-FQEVSTJZSA-N	371.437	2.089	10	10	FECE	
COc1ccc(CN2CCN(Cc3cn4ccccc4n3)CC2)c(O)c1	121907946	WMRWNALNXCBEIN-UHFFFAOYSA-N	352.438	2.366	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CCc2cc(O)c(O)cc2C1	2366905976	JSXVVVAJXBRESX-HALDLXJZSA-N	374.437	2.095	10	10	FECE	
COC[C@@H]1CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C[C@H](C)O1	276021438	NHGTWIMABROVBU-COWJPUMTSA-N	350.371	2.021	10	10	FECE	
CN(C1CCN(Cc2cc(Cl)c(F)cc2O)CC1)S(C)(=O)=O	295442720	UPJFNLZRCKULCB-UHFFFAOYSA-N	350.843	2.041	10	10	FECE	
C[S@@](=O)CC1CN(c2ccc(C=CC(=O)O)cc2Br)C1	2166652698	QPPGFTLHGICZGG-HXUWFJFHSA-N	358.257	2.362	10	10	FECE	
Cn1c(C(=O)NCc2cc(Br)ccc2O)ccc1[N+](=O)[O-]	804735872	HHMJCLNDINFJBC-UHFFFAOYSA-N	354.160	2.331	10	10	FECE	
COc1ccc(N2CCN(C(=O)C[C@@H](O)Cc3ccccc3)CC2)cc1F	813475855	JFEBUPQJGFIXOK-SFHVURJKSA-N	372.440	2.477	10	10	FECE	
CO[C@H](CS(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CCOCC1	827473650	KTJUZHDTNJFJLH-KBXCAEBGSA-N	370.515	2.175	10	10	FECE	
COCCc1cc(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)n(C)n1	822005744	PHJZXYUFENUVAR-HNNXBMFYSA-N	373.457	2.018	10	10	FECE	
Cc1[nH]c(-c2ccncc2)nc(=O)c1CCC(=O)NCc1ccccc1O	725895796	QESUCXVMGNMZJD-UHFFFAOYSA-N	364.405	2.095	10	10	FECE	
Oc1ccccc1CN(Cc1cnnn1[C@H]1CCCNC1)C[C@H]1CCCO1	903905639	KOMUOPZMNWXGKX-PKOBYXMFSA-N	371.485	2.089	10	10	FECE	
CC1=CC([S@](=N)(=O)O)=S=C1C(=O)Nc1ccc(-c2ncon2)cc1	588894801	POHYZFUUQPLMGV-UHFFFAOYSA-N	364.408	2.190	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](O)C[C@H]1[C@H]1CCCOC1	838479201	OKMYZVFIHSCLKD-UHOSZYNNSA-N	361.486	2.132	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H]3CCOC3(C)C)CC2)cc1F	836552839	SETMUSXOQJFOGO-INIZCTEOSA-N	351.422	2.233	10	10	FECE	
COc1ccc(CNC(=O)N[C@H](CCN(C)C)c2cccnc2)c(O)c1	925910757	ASAZVAYFUJCNJD-QGZVFWFLSA-N	358.442	2.288	10	10	FECE	
CCOP(=O)(OCC)[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1	851714720	USDQFPUCOPOUTP-KRWDZBQOSA-N	372.402	2.402	10	10	FECE	
C[C@@H]1O[C@H](C)[C@@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@H]1C	858154623	NHZZOKUNAJEMQG-FLTUCWPJSA-N	365.449	2.273	10	10	FECE	
COc1ccc(N2CC[C@H](Nc3cnc(N4CCCC4=O)cn3)C2)cc1	853761765	WJAYLYCGMBKJCY-AWEZNQCLSA-N	353.426	2.303	10	10	FECE	
CN(CCOCCN(C)C(=O)c1cc(O)cs1)C(=O)OC(C)(C)C	862894947	CIZQCEAVKAXADD-UHFFFAOYSA-N	358.460	2.409	10	10	FECE	
Cc1cc(O)c(CNC[C@]2(CO)COCC3(CCC3)N2C)cc1Cl	862464060	RLMAVYIMWVIFEB-SFHVURJKSA-N	354.878	2.059	10	10	FECE	
Cc1cc(C(F)(F)F)c(=O)n(Cc2ccc(N3CCOCC3)cc2)n1	877886004	WJGJMVUJNFGAGW-UHFFFAOYSA-N	353.344	2.455	10	10	FECE	
CCOC(=O)c1cccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1	775289561	WCXNKSLRNDMFCZ-UHFFFAOYSA-N	366.351	2.278	10	10	FECE	
COC(=O)[C@H]1CCN1C(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	1134372014	UUILTONEHSLOQF-LJQANCHMSA-N	369.465	2.182	10	10	FECE	
CN1CCN(CCCCNC(=O)c2cc3cc(O)c(O)cc3s2)CC1	895709655	AECLVSQOPRTVKK-UHFFFAOYSA-N	363.483	2.070	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CC[C@@H](C(F)(F)F)[C@@H]3C)nc12	791585200	SKSDOELBJFFTFK-JOYOIKCWSA-N	372.347	2.384	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)c2ncc3ccccn23)N(C)C)cc1	1134686749	UYLWQGRPDUQXMQ-SFHVURJKSA-N	351.454	2.433	10	10	FECE	
C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCN1C(=O)OC(C)(C)C	1148086866	VGAHFADCEMBBGI-LBPRGKRZSA-N	350.415	2.108	10	10	FECE	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)NCc1ccccc1O)C1CCCCC1	1445969253	HDMYMAKMVBXZRT-KRWDZBQOSA-N	370.453	2.039	10	10	FECE	
C[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO)c1c(O)cccc1O	2116264419	FEYMWKAHHKXBPN-IHRRRGAJSA-N	366.458	2.366	10	10	FECE	
CNc1ccc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)nc1	1468816278	CITAKVIDVBPGBS-UHFFFAOYSA-N	362.380	2.168	10	10	FECE	
Cc1cc(C(=O)NCc2nc(CO)n[nH]2)c(C)n1-c1cccc(Cl)c1	1557593617	HQERZQXGZIUEJI-UHFFFAOYSA-N	359.817	2.288	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(O)cc1O	1638356698	LZXXINJULDKXQU-UONOGXRCSA-N	350.415	2.407	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(C)nc(C)c1	1567306094	CMJJNXSKVCANPI-HNNXBMFYSA-N	358.394	2.014	10	10	FECE	
C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F)c1ccccc1O	1642824541	ZVPFSGODGOBCCF-LLVKDONJSA-N	366.414	2.273	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2C=C[C@H]1CC2	1640259885	ICBTVPFBZVMPIN-CLROSIBMSA-N	364.438	2.496	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)c2cnc3ccccn23)N(C)C)cc1	1648478196	UELLYWHKJYUQGZ-KRWDZBQOSA-N	351.454	2.433	10	10	FECE	
CCOC(=O)CN1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)SC1=S	6076270	RLJSSSWMUOEMAC-XYOKQWHBSA-N	365.432	2.238	10	10	FECE	
COc1ccccc1N(C)C(=O)C1=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1	2136284130	CDICSPMZPBMPHR-DZGCQCFKSA-N	362.426	2.242	10	10	FECE	
N[C@H]1C(=O)Nc2cc(N3CC(C(F)(F)F)C3)c(Br)cc21	2152305694	AEJUMSYJOKEBMU-SNVBAGLBSA-N	350.138	2.400	10	10	FECE	
C[C@@H]1N[C@@H](c2cc(Br)cc(Br)c2O)NC1=O	309770839	KKGPKBNLZIXCCY-AJAUBTJJSA-N	350.010	2.024	10	10	FECE	
Oc1ccc(CNC[C@@]23CN(Cc4ccccc4)C[C@H]2CCO3)c(O)c1O	2175201192	FEWYTKZABCTCEE-DYESRHJHSA-N	370.449	2.184	10	10	FECE	
Cc1cc(O)n2ncc(C(=O)Nc3ccccc3CN3CCCC3=O)c2n1	2087900815	ZUTPMDFBMMTJIA-UHFFFAOYSA-N	365.393	2.118	10	10	FECE	
C[C@@]1(CNCc2c(O)cccc2Br)CCCS(=O)(=O)C1	2194279403	JVKCDCKATPQRHP-AWEZNQCLSA-N	362.289	2.459	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2060621030	IZLVLYNXMTZQAG-YNEHKIRRSA-N	353.423	2.218	10	10	FECE	
C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)c1cc(O)ccc1O	2063342526	VYDYKXQTLRXLMB-SGIREYDYSA-N	352.431	2.119	10	10	FECE	
Cc1cccc(N)c1N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1S(C)(=O)=O	2072517406	JTCWKUJMCVDRIF-KGLIPLIRSA-N	369.487	2.022	10	10	FECE	
C[C@@H]([C@@H](C)N(C)c1ccc(CO)c(Br)c1)S(C)(=O)=O	2114228869	SLRJSDOVDXWMHU-ZJUUUORDSA-N	350.278	2.199	10	10	FECE	
COC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])C1	2218742633	RKDASPJGLZVTKS-SLMGRZLQSA-N	353.423	2.406	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2OCC[C@@]2(C(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2278990557	WOKBJOBDXGUHSF-OGHNNQOOSA-N	365.434	2.314	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)N[C@H]3CCC[C@H]3N=[N+]=[N-])CO[C@H]1C2	2334200681	UPPSFSUWGGUPDF-KOPCRSHDSA-N	365.434	2.406	10	10	FECE	
CC(C)(C)n1cc(CN2CCN(Cc3cc4c(cc3O)OCO4)CC2)cn1	113924740	QIRKDTQWDVFWQG-UHFFFAOYSA-N	372.469	2.390	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N[C@@H](C)c1cc(O)ccc1O	305881182	AZEBMDQUWSVBIV-PJODQICGSA-N	352.431	2.383	10	10	FECE	
COc1cccc(C(=O)N2CCN(Cc3ccc(OC)cc3O)CC2)c1	179424874	NSAGGVLXJXAMPO-UHFFFAOYSA-N	356.422	2.367	10	10	FECE	
CN1CCN(C(=O)CC2CCN(Cc3cccc(Cl)c3O)CC2)CC1	180074055	OEDBGYRIAWQLML-UHFFFAOYSA-N	365.905	2.422	10	10	FECE	
COc1ccc(O)c([C@H](C)NCC(=O)NCCN2CCc3ccccc32)c1	182433229	NOMAORKEUGOVQP-HNNXBMFYSA-N	369.465	2.230	10	10	FECE	
CCOCCOCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	134261785	LEBBTPGZZBHOLC-MRXNPFEDSA-N	370.877	2.179	10	10	FECE	
CCCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(N(C)C)cc1	40980465	MGHHSNLDXXTPJZ-INIZCTEOSA-N	356.430	2.371	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccn(C)n2)C1	435635990	IHRYDIUKXCDDDH-UHFFFAOYSA-N	351.454	2.780	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)NC3CCCC3)CC2)cc1	240790419	AYKLTFOEBRNYTC-RTBURBONSA-N	371.481	2.039	10	10	FECE	
CCOC(=O)C1=S=C(NC(=O)c2ccc(-c3ncon3)cc2)C=C1C	609323934	KKTIIXBVNANWEK-UHFFFAOYSA-N	357.391	2.025	10	10	FECE	
CC(=O)C(=O)COC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1	808496802	IDQXKILFNRIOSH-UHFFFAOYSA-N	364.357	2.009	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2cc(O)c(O)c(O)c2)C1	2132393024	OZBKRWYYXCMRQG-LLVKDONJSA-N	366.414	2.180	10	10	FECE	
CN(C[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1)C(=O)OC(C)(C)C	2132404463	RZJBVNOWUYHHJS-LLVKDONJSA-N	366.414	2.132	10	10	FECE	
O=C1OCCN1C[C@H]1CCN(Cc2cc(Br)ccc2O)C1	824451148	JZKWMRRPOFPVCU-NSHDSACASA-N	355.232	2.429	10	10	FECE	
O=C(CN1CCN(C2CC2)C1=O)NCc1ccc(N2CCCCC2)cc1	824262457	YPHXYEBTBCDEBP-UHFFFAOYSA-N	356.470	2.193	10	10	FECE	
COc1cccc(CN[C@H]2COC3(C2)CN(C(=O)OC(C)(C)C)C3)c1O	827065127	HZHPGKVOHGNJFF-CQSZACIVSA-N	364.442	2.269	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cccc(-n4cncn4)c3)CC2)cc1	734416664	ANMPJQATZSIZLU-UHFFFAOYSA-N	363.421	2.238	10	10	FECE	
COc1cc(O)c(CN2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)cc1OC	905700052	DGJWBUMCHZIRJR-SCLBCKFNSA-N	350.415	2.120	10	10	FECE	
Cc1cc(O)c(CNC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c(Cl)c1	840902712	SJVOHUGFLDDGEQ-APPDUMDISA-N	351.834	2.164	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	858662827	JBCJEQGKLAAGBM-DCXXXQMHSA-N	372.465	2.210	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN3CCC[C@@H](C)CC3)CC2)cc1	754010948	ADEOBELKCUMIRG-QUCCMNQESA-N	361.530	2.300	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)[C@@H]2COC(=O)N2)c1C	859910455	CVNIXPKUDWDTRA-HNNXBMFYSA-N	356.378	2.237	10	10	FECE	
CO[C@H](CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)[C@@H]1CCOC1	852384978	JOSIYCBVQQVQLS-SZVBFZGTSA-N	363.502	2.343	10	10	FECE	
CCO[C@H](CS(=O)(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C1CC1	859216980	IHLHPNITUTYISH-CRAIPNDOSA-N	368.499	2.008	10	10	FECE	
C[C@H]1CCn2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)nc2C1	864983960	BGVCZDKXATVFOF-HNNXBMFYSA-N	354.454	2.232	10	10	FECE	
O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CC2(CCOCC2)CO1	869041548	ZUHFLAOOPXOXAF-AWEZNQCLSA-N	354.834	2.431	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2cccn(C3CC3)c2=O)cc1	869143040	VCKBEIMNFMNWTH-UHFFFAOYSA-N	355.438	2.400	10	10	FECE	
COc1cc(N2CCN(Cc3cc(F)c(N(C)C)cc3F)CC2)ncn1	862325432	BLVUSCOFZRXGRN-UHFFFAOYSA-N	363.412	2.152	10	10	FECE	
Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2Cc3cccc(O)c3C2)c1	871198496	JYQGJIUVPJFUQM-UHFFFAOYSA-N	374.462	2.220	10	10	FECE	
Cc1ccc(/C=C\C(=O)N2CCc3ccc(S(=O)(=O)N(C)C)cc32)cn1	777861890	HPEPCXZQIIJWPG-TWGQIWQCSA-N	371.462	2.243	10	10	FECE	
COC(=O)c1c(CN(C)Cc2nnc3n2CCC3)c2cc(F)ccc2n1C	893916111	DKCMOANQUWUICH-UHFFFAOYSA-N	371.416	2.274	10	10	FECE	
C[C@@H]1[C@@H](NC(=O)NCc2ccccc2O)CC(=O)N1Cc1ccccc1	798396271	WYHPQQAEQFPTGR-PBHICJAKSA-N	353.422	2.381	10	10	FECE	
CCOCc1cc(CNC[C@@H]2CCCCN2S(C)(=O)=O)ccc1OC	796513982	SDCNVHXVIRKQQZ-KRWDZBQOSA-N	370.515	2.135	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CC2)n1C[C@@H]1CC[C@H](CO)O1	1503486674	AEAANDOUQJIIOU-JKSUJKDBSA-N	358.442	2.037	10	10	FECE	
COc1ccc(CNC[C@H]2C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C2)c(O)c1	2116205914	OPXIFLOKOIIRPN-YLQAJVPDSA-N	366.458	2.155	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cccn2c(O)nnc12	1463815348	YVULIDGIPUMYLE-UHFFFAOYSA-N	351.410	2.307	10	10	FECE	
COc1ccc(CN2CCCN(C(=O)Cc3ccc(O)c(O)c3)CC2)cc1	1540648764	YJOCTVSKCKGKMW-UHFFFAOYSA-N	370.449	2.383	10	10	FECE	
CN(C)CCSc1nc(CC(=O)NCc2ccc(O)cc2O)cs1	1630306774	MSRQPRMYCYVKAJ-UHFFFAOYSA-N	367.496	2.067	10	10	FECE	
CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)NCc1cc(O)ccc1O	1651222853	QRBCBEWYUKHTCV-GOSISDBHSA-N	371.437	2.238	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC(N=[N+]=[N-])C2)[C@@H]2CCO[C@H]2C1(C)C	2124511156	BRNZCSUBQRHNMR-QFSBIZTOSA-N	365.434	2.216	10	10	FECE	
COc1ccc(CNCCN(C)C(=O)[C@@H]2C[C@H]2c2cncn2C)cc1C	1664195745	SRYXUGZUPDMLPV-IAGOWNOFSA-N	356.470	2.089	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC(F)(F)[C@H](CO)C2)c([N+](=O)[O-])c1	1773581548	QGUPFGVLZHRQKI-FHMRSRPSSA-N	356.325	2.235	10	10	FECE	
C[C@H](NC(=O)Cc1ccc(N)cc1)c1ccc(S(C)(=O)=O)c(F)c1	160754257	IEZAYSTXLFLFQD-NSHDSACASA-N	350.415	2.231	10	10	FECE	
CCCCC(=O)N1CC[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1	1858356827	XSSAKHHWPOGKLV-KRWDZBQOSA-N	373.497	2.383	10	10	FECE	
Nc1ccc(CCC(=O)Nc2ncc(I)cn2)cc1	2133324837	DDFYSBLSVWVKEJ-UHFFFAOYSA-N	368.178	2.235	10	10	FECE	
CN(C[C@@H](O)COc1ccc(N)cc1)[C@H]1CCN(Cc2ccccc2)C1	311495404	VOWMAGOOFHJBJG-VQTJNVASSA-N	355.482	2.215	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2cccc(F)c2O)[C@H](CO)C1	2052711403	IZOWEQHTIYIPNV-ZFWWWQNUSA-N	354.422	2.239	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@]1(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CCOC1	2060632993	ILHRGMHIPKKUNC-LRDDRELGSA-N	353.423	2.171	10	10	FECE	
CC(C)[C@H](CNC(=O)c1cc(O)c(O)c(O)c1)NC(=O)OC(C)(C)C	2068618165	OADDXWHOOGNRKH-NSHDSACASA-N	354.403	2.083	10	10	FECE	
CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(C(=O)CCOc1ccc(N)cc1)C2	2106693914	FWWZSWVSFNVNAI-YJYMSZOUSA-N	361.442	2.163	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])C1	2225795329	MWHSQDSFZOREPB-AHIWAGSCSA-N	367.450	2.486	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(CNCc2ccc(O)cc2O)C1	2229487931	XLGYFEQYZOZPNF-KUHUBIRLSA-N	364.442	2.213	10	10	FECE	
CSc1ncc(CNC(=O)[C@H](N)[C@@H](C)OCc2ccccc2)s1	2243789308	CYFYXCATOZHTNB-BXUZGUMPSA-N	351.497	2.414	10	10	FECE	
C[C@@H](C(=O)O)N1C(=O)C(=C2C(=O)Nc3ccc(Cl)cc32)SC1=S	2293228368	ONARRIPYRFUDRI-YFKPBYRVSA-N	368.823	2.337	10	10	FECE	
Cc1ccc(C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1	2296725962	CMEHPBNSDKSYTO-GFCCVEGCSA-N	353.490	2.383	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N1CC[C@H](N2CCCC2)C1	2297505681	ILTWSWXWRUWDGB-FQEVSTJZSA-N	355.482	2.233	10	10	FECE	
CCc1cc(N2CCC(NC(=O)C=Cc3ccc(O)c(O)c3)CC2)ncn1	2308001698	HJXCFDKWTAHQLH-UHFFFAOYSA-N	368.437	2.249	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H](CNC(=O)OC(C)(C)C)[C@H]1CCOC1	2315986947	KZYJFNXXAUFZDN-STQMWFEESA-N	355.439	2.323	10	10	FECE	
COC(=O)c1ccc(=O)n(CN(C)Cc2ccc(N3CCCCC3)cc2)n1	172606857	KHUFSFFCHRUHRP-UHFFFAOYSA-N	370.453	2.110	10	10	FECE	
CN(C)C(=O)CCCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O	175325579	XSTXOXJAOSZGML-UHFFFAOYSA-N	364.401	2.060	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@@H]1Cc2ccccc2[C@H]1O	178561529	HLIANXLMBBLRGR-PTEZDTNWSA-N	364.445	2.311	10	10	FECE	
C[C@H](NCCCCCS(C)(=O)=O)c1ccc(N2CCOCC2)cc1	186874295	ILZDGQYJVPJYPE-INIZCTEOSA-N	354.516	2.389	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N2CCN(C)c3ccc(F)cc32)c1	81073848	VHEFFDSVKGCGTO-ZZXKWVIFSA-N	354.385	2.077	10	10	FECE	
CC(=O)C(=O)COC(=O)Cn1c(-c2scnc2C)nc2ccccc21	808523375	GDPQSTZXCREZAT-UHFFFAOYSA-N	357.391	2.170	10	10	FECE	
CCO[C@@H]1COCC[C@H]1NC(=O)NCc1cc(Br)ccc1O	805281295	WJUOUNQUGDETAN-TZMCWYRMSA-N	373.247	2.148	10	10	FECE	
CON1CCC(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1	819974179	JDAMEYGGRCPILQ-UHFFFAOYSA-N	361.486	2.145	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3csc(C(=O)O)n3)C2)cc1	909851116	LYQBPSXXTRBQQY-LLVKDONJSA-N	361.423	2.106	10	10	FECE	
CCn1cnc(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)c1	831561677	RWGXHVSUBWCQNW-UHFFFAOYSA-N	367.497	2.365	10	10	FECE	
Cc1cc(C(=O)CN2CCC(=O)N(C)CC2)c(C)n1-c1ccc(Cl)cn1	852578889	VAWNZANBXLLZSW-UHFFFAOYSA-N	374.872	2.489	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3C[C@@H](C)Cc4c[nH]nc43)CC2)cc1	857844211	GEVGVIAWUJDTQD-KSSFIOAISA-N	354.454	2.433	10	10	FECE	
C[C@H](NC(=O)NC[C@]1(O)C[C@H]2C=C[C@H]1C2)c1ccc(N2CCOCC2)cc1	853487575	RCLAUHGRWOLEFO-ROWPZFDLSA-N	371.481	2.211	10	10	FECE	
CCC[C@@]1(CO)CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	854297276	LOEVHFRLMGWJRB-OXJNMPFZSA-N	361.486	2.468	10	10	FECE	
C[C@@H](NC(=O)N1CCC(c2nc(O)n[nH]2)CC1)c1ccc(N(C)C)cc1	922053113	CCLUPILAUMPSKG-GFCCVEGCSA-N	358.446	2.227	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C3=NN(CC(C)C)C(=O)CC3)C2)cc1	855227859	QMNDHTCRHJOIKQ-HNNXBMFYSA-N	372.469	2.025	10	10	FECE	
CN1CCN(c2ccc(CNC[C@]34OCCC[C@H]3C4(F)F)cc2)CC1	850378612	LKNRZJWDJGYDFR-MSOLQXFVSA-N	351.441	2.342	10	10	FECE	
C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1=O	750655673	BLIVYOPUMBJYFJ-OGWOLHLISA-N	370.497	2.436	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)c1nccc(-c2ccnn2C)n1	865418373	IYGNZGQBRARROM-UHFFFAOYSA-N	364.453	2.350	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CC[C@@H]1C[C@H](C(=O)OC)CO1	874232273	SZIGAWFINYEEBH-FUHWJXTLSA-N	362.470	2.459	10	10	FECE	
CON(C)C(=O)C1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1	897809762	XAXGYHPULYLOAD-UHFFFAOYSA-N	364.423	2.185	10	10	FECE	
O=C(CC[C@H]1CC[C@@H](C2OCCO2)O1)NCc1cc(Cl)ccc1O	898276879	GOWPJLMJZHCUPV-HIFRSBDPSA-N	355.818	2.363	10	10	FECE	
O=C(c1cncc2nc[nH]c12)N(Cc1ccccc1O)C[C@@H]1CCCO1	896269155	DVLPYQHZXDZGKB-AWEZNQCLSA-N	352.394	2.485	10	10	FECE	
C/C=C\C[C@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)O	797714857	MFVQEAXEVXDGSO-UIRUKZSUSA-N	361.442	2.303	10	10	FECE	
CN1C(=O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)Cc2ccccc21	1146964504	UQEQCRGBEJOWBT-CQSZACIVSA-N	351.366	2.167	10	10	FECE	
CC(C)(C)NCC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	1324732416	OPXXDSGJOWLGDM-UHFFFAOYSA-N	358.530	2.223	10	10	FECE	
Cc1ccc(C(=O)OC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c(O)c1O	1330173397	SCIGOOIKJGVRJB-LBPRGKRZSA-N	367.398	2.199	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@H]2COC[C@]2(C)C1	1333414125	NLWKJEZUKSRVPO-JXFKEZNVSA-N	360.454	2.016	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@]2(C)CCC(=O)NC2)n1CC1CC1	1345137497	UTKVJIFJBIJNKO-HXUWFJFHSA-N	369.469	2.198	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](CC)CC(F)F	1348038565	OKWPGBKHMIGABU-NEPJUHHUSA-N	359.369	2.370	10	10	FECE	
Cc1cc(CC(=O)N2CCC(O)(C(=O)O)CC2)c(C)n1-c1ccccc1	1354030492	DMIKPMJEFDBBJT-UHFFFAOYSA-N	356.422	2.075	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1=CS(=O)(=O)CCC1	1451673975	VSEQGNQQDZNYAK-CQSZACIVSA-N	350.484	2.201	10	10	FECE	
COC(=O)c1cc(C2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)no1	1471421638	DXKZTHQHJBKXDD-HYXAFXHYSA-N	372.377	2.292	10	10	FECE	
Cc1cccc([C@H]2C(=O)NCCN2C(=O)/C=C\c2ccc(O)c(O)c2)c1	1557637802	DOIQXAXEZUUOCD-QJSCKGPTSA-N	352.390	2.119	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccnc2c1CC(=O)N2	1624630034	IZOOIYUCXNFJPG-UHFFFAOYSA-N	350.422	2.449	10	10	FECE	
NS(=O)(=O)c1ccc(NCc2cccc(Cl)c2O)c([N+](=O)[O-])c1	1559300141	CTXXOWAHPVCZTN-UHFFFAOYSA-N	357.775	2.213	10	10	FECE	
O=C(c1cnc2c[nH]nc2c1)N(Cc1ccccc1O)C[C@H]1CCCO1	1566686582	OGPFPDVOMSOCHE-OAHLLOKOSA-N	352.394	2.485	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1cncc(I)c1	1644754388	VFRUPRAFJHFBGS-UHFFFAOYSA-N	370.146	2.027	10	10	FECE	
Cc1sc2ncn(CC(=O)NCc3c(O)cccc3F)c(=O)c2c1C	1596911042	CSBMLWGHKHTSMU-UHFFFAOYSA-N	361.398	2.236	10	10	FECE	
C[C@H](COCC1CC1)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1682488661	IOHYDLFEBQBWFE-DNVCBOLYSA-N	362.518	2.470	10	10	FECE	
COC[C@H]1CN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)C[C@H](C)O1	1697885974	MAHJZNPJBVRHRX-HNAYVOBHSA-N	373.501	2.249	10	10	FECE	
C[C@@H](NC(=O)NCC1(CCO)CCC1)c1ccc(N2CCOCC2)cc1	151061002	RIYSFUBESAQFNY-MRXNPFEDSA-N	361.486	2.436	10	10	FECE	
Cc1cccc(CNC(=O)[C@]2(C)COC[C@@H]2NC(=O)OC(C)(C)C)c1O	2139743146	ZOJLPYCUDLIAOD-IFXJQAMLSA-N	364.442	2.247	10	10	FECE	
CN(CC(=O)NCC(F)(F)F)Cc1ccc(Br)cc1O	1972604644	GRANOHRYOIAYAL-UHFFFAOYSA-N	355.154	2.265	10	10	FECE	
Nc1ccc(CC(=O)N[C@@H]2CC[C@H]2NC(=O)OCc2ccccc2)cc1	1977680349	PTGIWLSJRYZQDI-QZTJIDSGSA-N	353.422	2.385	10	10	FECE	
CN(c1cc(Br)c(CN)cc1F)[C@H]1CS(=O)(=O)C1(C)C	2153846072	QQMDJBOTNAPMBB-LBPRGKRZSA-N	365.268	2.059	10	10	FECE	
C[C@H](N[C@H]1COCCN(C(=O)OC(C)(C)C)C1)c1ccc(O)cc1O	2034723341	PGDPZZBRVVGJGB-QWHCGFSZSA-N	352.431	2.384	10	10	FECE	
CCN(CC(=O)NC)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2	311420003	CNYQVQHGNZHLMG-UHFFFAOYSA-N	362.474	2.134	10	10	FECE	
CC1(C)C[C@@H](S(C)(=O)=O)CN1c1ccc(CO)cc1Br	2179921282	ZFAGIZSFFLLAQL-LLVKDONJSA-N	362.289	2.343	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](O)(CNCc2ccc(F)c(F)c2O)C1	897695920	VRKQKNGXZJEXBD-KRWDZBQOSA-N	358.385	2.132	10	10	FECE	
CN(Cc1ccccc1)C[C@@H](NC(=O)N(C)Cc1ccccc1O)C(=O)O	2192604888	NJAJBZPNEUCBJL-QGZVFWFLSA-N	371.437	2.119	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)COc2ccc(N)cc2)[C@@H]2CC[C@H]21	2112100961	IMMWGKBTDQWBLY-HZPDHXFCSA-N	361.442	2.258	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNCc2ccc3c(c2)CCO3)C1	2098262025	XKGNFTOWEVMJOZ-KRWDZBQOSA-N	361.486	2.262	10	10	FECE	
CO[C@H]1C[C@H](C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2218738499	PQYZCAAHIOQGKY-UMSGYPCISA-N	353.423	2.358	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2225794130	CROYMELEZWAOMA-KOFHJDLBSA-N	365.434	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](NC(=O)COc2ccc(N)cc2)C1	2226267501	SZGPDESSPOJTQN-TZMCWYRMSA-N	367.421	2.111	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1	2260803710	MGWJBRLVAJWRBS-AGIUHOORSA-N	353.423	2.170	10	10	FECE	
Cc1ccc(C=C2SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)o1	2296883485	VZFAYPHWWGJKCN-SECBINFHSA-N	355.393	2.107	10	10	FECE	
CCOc1ccc(N2C(=O)NC(=O)C(=CNc3cccc(O)c3)C2=O)cc1	2297315450	GNUFDIOCCWSHFC-UHFFFAOYSA-N	367.361	2.370	10	10	FECE	
COCCN(CCOC)C(=O)C(=O)N(c1ccccc1)c1ccc(N)cc1	170388764	SOOLTRNGQWKGDB-UHFFFAOYSA-N	371.437	2.055	10	10	FECE	
O=C(c1cc(O)nc(O)c1)N1CC[C@H](Oc2ccc3ccccc3n2)C1	238901611	RNYNWRHLEBMRTN-AWEZNQCLSA-N	351.362	2.335	10	10	FECE	
CCN(C)c1ccc([C@H](C)NCCNS(=O)(=O)c2cccnc2)cc1	90584826	WUXNFZSEEQZOKW-HNNXBMFYSA-N	362.499	2.167	10	10	FECE	
COc1ccc(N2CCN(C(=O)CNCc3ccccc3F)CC2)cc1	243030721	HZXGULBPUZYHHL-UHFFFAOYSA-N	357.429	2.273	10	10	FECE	
CCOCCCS(=O)(=O)NCc1ccc(C)c(Br)c1O	2380735894	ZUCCEQWXVRREFK-UHFFFAOYSA-N	366.277	2.309	10	10	FECE	
CCOC(=O)[C@H](CCOC)NC(=O)c1cc(C)n(-c2ccccn2)c1C	281145139	AKSRPKLMXKDZOR-INIZCTEOSA-N	359.426	2.187	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3cc4c([nH]3)CCOC4)C2)cc1	819587280	LAXZHSNUWSTEHL-CQSZACIVSA-N	355.438	2.352	10	10	FECE	
NC(=O)CN1C(=O)/C(=C\c2csc(-c3ccccc3)n2)SC1=S	727175346	AHGBNZAQKQGMFU-IZZDOVSWSA-N	361.473	2.497	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H](Cc1cncs1)C(=O)O	908848164	ZDQKILORBPZGJD-INIZCTEOSA-N	374.466	2.238	10	10	FECE	
COc1cc(Cl)cc(CN2CCC(N3[C@H]4CC[C@H]3CNC4)CC2)c1O	903978753	WMQIQVXTSJSFCH-IRXDYDNUSA-N	365.905	2.455	10	10	FECE	
C[C@]1(C(=O)NCc2ccc(N3CCCCC3)cc2)CCCS1(=O)=O	906435004	SZSQNMFKNJJFMC-GOSISDBHSA-N	350.484	2.260	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)CN2CCC[C@](O)(CO)C2)c1C	839147004	ARTKYVJMPRRMHW-OAQYLSRUSA-N	356.466	2.404	10	10	FECE	
Fc1cc(CN2CCC(Cn3cnnc3)CC2)ccc1N1CCOCC1	846055717	JMTNFNBCQVXENV-UHFFFAOYSA-N	359.449	2.166	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)cc1F	844963250	IVJDEVLLGBBJIU-POUGUFFASA-N	353.463	2.087	10	10	FECE	
CC(C)CN1CCO[C@@H](CNC(=O)CSc2ncc(Cl)s2)C1	849998207	LEYAHJBHIANBBG-NSHDSACASA-N	363.936	2.362	10	10	FECE	
CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)/C(C)=C\c1cccnc1)CC2	847523000	IQONFXCNNDMZDY-KAMYIIQDSA-N	371.462	2.372	10	10	FECE	
Cn1ncc(C2CCC2)c1CN1C(=O)CN(Cc2ccccc2O)C1=O	849365095	ICVYOJVDXMYQQM-UHFFFAOYSA-N	354.410	2.358	10	10	FECE	
CC(C)n1ncc2cc(/C=C/C(=O)N3CCOc4ccncc43)c(=O)[nH]c21	750139055	VQTOYXADQGVZAO-ONEGZZNKSA-N	365.393	2.139	10	10	FECE	
CO[C@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@@H]1CCOC1	854276221	KWRGVVVMRMNJEI-VQIMIIECSA-N	361.486	2.478	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@]3(c4ccccc4)CCNC3)C2)cc1	851639362	DNXMYXBJNNKFHD-XMSQKQJNSA-N	365.477	2.321	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[C@H](C)S(=O)(=O)C2)cc1	853456392	IQKMINPFYMKPCQ-HOCLYGCPSA-N	367.515	2.298	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[C@@H]4C[C@H]43)cc2F)C[C@@H](C)O1	761091353	MFGJUSOVJLFACK-NPNMTCQASA-N	361.461	2.150	10	10	FECE	
CN1CCCc2cc(CNC(=O)C(=O)NCC(C)(C)C(F)(F)F)ccc21	1117136637	NBNPOROHRMACBY-UHFFFAOYSA-N	371.403	2.390	10	10	FECE	
C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1Cc2cccc(O)c2C1	871203921	VIIDWWZYEWCZAA-LBPRGKRZSA-N	363.410	2.484	10	10	FECE	
COC(=O)[C@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1ccn(C)n1	787806146	AORJOQWHVBPESZ-GOSISDBHSA-N	366.421	2.472	10	10	FECE	
Cn1cnc(/C=C/C(=O)N2CCCn3ncc(NC(=O)OC(C)(C)C)c32)c1	1133882295	XXRONGPNWNIWNB-VOTSOKGWSA-N	372.429	2.414	10	10	FECE	
O=C1Nc2cc(N3C[C@@H]4CN(Cc5ccccc5)C[C@@H]4C3)c(F)cc2[C@@H]1O	705879005	QEUSIHRJCSCNCL-MDOVXXIYSA-N	367.424	2.379	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3C4CCC3(CO)CC4)CC2)cc1	1262190589	SSHLTICSSLLXRX-UHFFFAOYSA-N	359.470	2.363	10	10	FECE	
CCn1cccc1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	1352830273	PWZPWJZVDLTLGK-UHFFFAOYSA-N	354.454	2.140	10	10	FECE	
Cc1cccc(N2C[C@@H](C(=O)NCc3cccc(O)c3O)CC2=O)c1C	1521852033	ROOHVVUJYYGPBN-HNNXBMFYSA-N	354.406	2.384	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cccc(F)c3N)CC2)c(OC)c1	1470859128	WDCGVDCTDKTGJL-UHFFFAOYSA-N	359.401	2.388	10	10	FECE	
O=C1Cc2c(C(=O)N3CCCCc4ccc([N+](=O)[O-])cc43)ccnc2N1	1585125829	SCDPTRSIXPDZCZ-UHFFFAOYSA-N	352.350	2.468	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])C[C@H]2OCC[C@@H]21	2124503012	GFUNHQIYNZQKEU-XDQVBPFNSA-N	365.434	2.455	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC/C=C/CNC(=O)[C@@]23CCC[C@@H]2C3)cc1	1759725730	IECAMOSGFWYBHV-YSTPKUKMSA-N	369.425	2.441	10	10	FECE	
COc1ccc(C(C)=O)cc1NC(=O)CN1C(=O)[C@@H](C)SC1=S	11635506	XJABYXPQMZXBSZ-SECBINFHSA-N	352.437	2.085	10	10	FECE	
COc1cc(/C=C2/SC(=S)N(CCCNC(C)=O)C2=O)ccc1O	1858594343	VQPLREKITCGRSV-NTEUORMPSA-N	366.464	2.128	10	10	FECE	
CCC1=NN(C)C(=O)/C1=C/c1ccc(OCCN2CCOCC2)c(OC)c1	1865665368	PMDILWHYZJXXQS-DTQAZKPQSA-N	373.453	2.028	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)cc1	1116975643	AXTAPRJJQZEEHU-MSOLQXFVSA-N	355.413	2.180	10	10	FECE	
CCN[C@H](C)c1ccc(N2CCS(=O)(=O)CC2)cc1Br	233637691	UEQVTMHHINORAQ-LLVKDONJSA-N	361.305	2.354	10	10	FECE	
COCC[S@](=O)CCNCc1cc(Cl)cc(Br)c1O	2142037185	JIRITRBWTVBKFP-LJQANCHMSA-N	370.696	2.293	10	10	FECE	
C[C@@H]1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1NC(=O)OC(C)(C)C	2054411991	BKKCJAFRRNCAJY-YPMHNXCESA-N	350.415	2.473	10	10	FECE	
COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2060613727	UVPJSWQZUCUWQC-RYUDHWBXSA-N	357.411	2.149	10	10	FECE	
COc1ccc(CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)cc1C	2063348888	RRHHBPZUDSQGKF-JKSUJKDBSA-N	350.459	2.464	10	10	FECE	
CC(C)[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(O)c(O)c(O)c1	2068617088	GMJHVSUSRGURMX-NSHDSACASA-N	354.403	2.083	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(COCCN2C(=O)Nc2ccc(N)cc2)C1	2111329829	GMUNNOCOZJSGIN-UHFFFAOYSA-N	362.430	2.122	10	10	FECE	
CSc1ncc(CNS(=O)(=O)c2cc(C)c(CO)s2)s1	2284540522	CHCCSYXHPXEQQD-UHFFFAOYSA-N	350.512	2.206	10	10	FECE	
CC1(C)[C@H](NC(=O)C=Cc2ccc(N3CCOCC3)cc2)[C@@H]2CCO[C@H]21	2297632297	ZXSHCYQVBYYEDL-DFQSSKMNSA-N	356.466	2.466	10	10	FECE	
CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NN1CCN(C)CC1	2313681435	DUIYDUUBQFIMBK-UHFFFAOYSA-N	370.482	2.045	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2312334427	VYWWOSWCOCPJTJ-RNJOBUHISA-N	353.423	2.216	10	10	FECE	
CN(C)c1ccc(CNc2nc(-c3ccco3)nn2S(C)(=O)=O)cc1	8614975	SCHGAQCAKCAUEJ-UHFFFAOYSA-N	361.427	2.024	10	10	FECE	
C[C@H](NCCCN1CCOC1=O)c1ccc(N2CCOCC2)c(F)c1	178592629	NUQDKMAGQVEOHL-AWEZNQCLSA-N	351.422	2.155	10	10	FECE	
CC(=O)N[C@@H]1CCCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1	76919166	WVUXJWUZVDYEQP-MRXNPFEDSA-N	368.433	2.429	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[C@@H]1C(=O)OC	75417050	GZXYQKBWMZTMRJ-RYUDHWBXSA-N	356.216	2.312	10	10	FECE	
NC(=O)c1ccccc1CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	190927788	UTPDNWUIRPJJTN-KRWDZBQOSA-N	368.433	2.241	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)c3cnccc3N(C)C)C2)cc1	819587615	FUZRHSAOXRDJPD-HNNXBMFYSA-N	354.454	2.413	10	10	FECE	
CC[C@H](NC(=O)NC1CCN(c2ccc(OC)cc2)CC1)[C@H](O)C(F)F	838191057	PYJPGJRMWGLNTF-HOTGVXAUSA-N	371.428	2.368	10	10	FECE	
CCOC(=O)[C@H]1[C@H]2CN(C(=O)NCc3ccc(N4CC=CC4)cc3)CC[C@H]21	919909764	YFHJWIXQZCVOBO-CEXWTWQISA-N	369.465	2.403	10	10	FECE	
CN(C)CCNC(=O)C1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1	835028877	UOMFZCHXGUYMHT-AATRIKPKSA-N	358.530	2.156	10	10	FECE	
CN1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742803986	RUMLQPSLGYXNSJ-XJKSGUPXSA-N	353.413	2.467	10	10	FECE	
COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2C)c([N+](=O)[O-])c1	743259512	BTXOMLBDOBZZJV-UHFFFAOYSA-N	366.351	2.196	10	10	FECE	
Cc1cc(C(=O)NC[C@@]2(C(=O)O)CCCOC2)c(C)n1-c1ccccn1	910305134	GDIBYQRVMCQFNP-IBGZPJMESA-N	357.410	2.100	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCNC[C@@H]1c1cccnc1	841823689	GSCIJRMOZWPQNT-LJQANCHMSA-N	353.470	2.312	10	10	FECE	
O=C(NCc1c(O)cccc1F)NC[C@H]1CN(Cc2ccccc2)CCO1	913873564	NFWJTZNAWOHIQT-INIZCTEOSA-N	373.428	2.232	10	10	FECE	
Cc1cc(CCNC(=O)NCC[C@@]2(O)CCOC2)c(C)n1-c1ccccc1	844867532	KHKGBUZYRVHXKA-OAQYLSRUSA-N	371.481	2.477	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3[C@H]4CCCC[C@H]43)cc2)C1	746147249	MMANSWCNNNISOX-YSHGAJCASA-N	355.482	2.441	10	10	FECE	
C[C@H](NC(=O)N[C@H]1CCC[C@H](CO)C1)c1ccc(N2CCOCC2)cc1	840271855	PWIAWCMOACSCCJ-BQFCYCMXSA-N	361.486	2.435	10	10	FECE	
CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)NCc1c(O)cccc1F	921451801	WDZIXGSZAMBUHV-AWEZNQCLSA-N	371.405	2.348	10	10	FECE	
C[C@]1(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCCCO1	923337610	RKVMWYAECUHNGO-HXUWFJFHSA-N	361.486	2.406	10	10	FECE	
C[C@]1(C2CC2)CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CCO1	852003717	APMHVIWOKJNRIA-HXUWFJFHSA-N	359.470	2.234	10	10	FECE	
O=C(COC(=O)/C=C/c1ccc(O)c(O)c1)Nc1ccc2c(c1)OCO2	759596440	VHXXNAXUBUYQRH-QHHAFSJGSA-N	357.318	2.022	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3c(C)cccc3F)C2)cc1	850536740	JMZONSNQYZWDHP-AWEZNQCLSA-N	371.412	2.476	10	10	FECE	
OC1CCN(c2ccc(CNC[C@H](O)Cc3ccc(F)cc3)cc2)CC1	853121507	FYPWQYNFOVBYNJ-OAQYLSRUSA-N	358.457	2.480	10	10	FECE	
COCc1cncc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	765363014	OHZVPBKFZJOTRO-UHFFFAOYSA-N	355.438	2.337	10	10	FECE	
C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)C(=O)NCCc1ccc(N)cc1	1117981307	URJOEEFUDBRQTI-SMDDNHRTSA-N	357.376	2.117	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cnn4c(C)cc(C)nc34)C2)cc1	1118777576	KJCFBQGFSANRIX-HNNXBMFYSA-N	365.437	2.363	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCN(CC(C)(C)O)CC2)c1	781908565	KNAKXPNBLQAHPH-UHFFFAOYSA-N	357.292	2.352	10	10	FECE	
Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)CCC2	785425144	WYWADKCDMQYGKB-INIZCTEOSA-N	372.494	2.328	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ncccc1F	1137818076	UTHUIPQCWDELEZ-UHFFFAOYSA-N	352.749	2.395	10	10	FECE	
CN(CC1CN(C(=O)OCc2ccccc2)C1)C(=O)c1cccc(O)c1O	1963348456	VXOSMAGNRFAUIF-UHFFFAOYSA-N	370.405	2.438	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NC[C@@H]1C[C@@H]1C	1321887254	WQPHBTMVIMXVKN-QWRGUYRKSA-N	369.259	2.275	10	10	FECE	
COC[C@@H](F)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1O	1518754647	XWTIXNJICWWRNQ-AWEZNQCLSA-N	372.404	2.062	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCCN1CCCO	1513792887	CKZUNAIQWNNUET-QGZVFWFLSA-N	373.501	2.029	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3ncc(Cl)s3)cc2)CC1	1455229228	YLYHOWWCOGEQAT-UHFFFAOYSA-N	350.875	2.478	10	10	FECE	
O=C(Nc1ccc(-c2nc3ccncc3[nH]2)cc1)C1=S=C([N+](=O)[O-])C=C1	1463330864	AWTKDCPESRPMQI-UHFFFAOYSA-N	365.374	2.445	10	10	FECE	
CN(C)CCn1nccc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1	1624630224	LYUYLTPDJOPWCN-UHFFFAOYSA-N	355.486	2.317	10	10	FECE	
Cc1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1O	1557970141	WTYGBEVIMLNWNH-TXEJJXNPSA-N	350.415	2.439	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)NCc3cc(O)nc(O)n3)c2C)cc1	1639041200	JKXIETBQKMXACF-UHFFFAOYSA-N	368.393	2.234	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)[C@]3(OC)CCSC3)CC2)cc1	1566563000	SDPSHMOVDARPNX-SFHVURJKSA-N	350.484	2.256	10	10	FECE	
CCc1nnc(N(C)[C@H](C)CC(N)=O)n1Cc1ccc(N(CC)CC)cc1	1498593595	RZISDNVZDXFSDO-OAHLLOKOSA-N	372.517	2.435	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)c3ccnc(CO)c3)cc2F)C[C@@H](C)O1	1630554897	HZNGGYYKUOAKKV-OKILXGFUSA-N	373.428	2.257	10	10	FECE	
Cc1cc(CNC(=O)c2cnn3c(=O)cc[nH]c23)c(C)n1-c1ccccc1	1642459288	HXMDJQGJVWXKGP-UHFFFAOYSA-N	361.405	2.360	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(C)C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2124531504	DOKYLBJHAVTTLV-PBFPGSCMSA-N	367.450	2.465	10	10	FECE	
CCOc1ncc(/C=C/C(=O)N(CCC(=O)OC)c2ccccc2)cn1	1866396278	GGINLILNWIYVSB-MDZDMXLPSA-N	355.394	2.485	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)=C[C@H]1O	2131475713	KAPFQSVDORYNHI-IACUBPJLSA-N	365.434	2.120	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)N3CCC[C@H]3CN=[N+]=[N-])O2)C1	2140447376	VLSGEYCEKBCYDV-QWHCGFSZSA-N	365.434	2.456	10	10	FECE	
C[C@@](NC(=O)OCc1ccccc1)(C(=O)O)C1(c2cc(O)nc(O)c2)CC1	1952432228	WBJCOTLTKKHXCJ-GOSISDBHSA-N	372.377	2.294	10	10	FECE	
CN(Cc1ccc(N)cc1)S(=O)(=O)c1cncc(Br)c1	44242767	VNQQMSZMPNRKFY-UHFFFAOYSA-N	356.245	2.247	10	10	FECE	
COc1cc(Cl)cc(CN[C@H](CO)CNC(=O)OC(C)(C)C)c1O	2011426606	PVJKZCYCJHYSMA-LBPRGKRZSA-N	360.838	2.029	10	10	FECE	
C[C@H](CCS(C)(=O)=O)N(C)c1cc(Br)c(CN)cc1F	2160735973	LVJZQGHWPHHQTB-SECBINFHSA-N	367.284	2.306	10	10	FECE	
O=S1(=O)C[C@H]2C[C@@H](NCc3c(O)cccc3Br)C[C@H]2C1	2161130391	XSDNUPLFGHOAEM-JGPRNRPPSA-N	360.273	2.068	10	10	FECE	
C[C@@H](c1c(O)cccc1F)n1ncc(CN)c1I	2070410430	AXYKONBDGFHBHK-ZETCQYMHSA-N	361.158	2.400	10	10	FECE	
O=C(NC[C@]12CN(Cc3ccccc3)C[C@@H]1CCO2)c1ccc(O)c(O)c1	2175199481	RQXDVLPZIRZLKE-UWJYYQICSA-N	368.433	2.119	10	10	FECE	
CC(C)(C)OC(=O)N1CCS(=O)(=NC(=O)Cc2ccc(N)cc2)CC1	2044619707	FOCMQGKDBHMBCC-UHFFFAOYSA-N	367.471	2.057	10	10	FECE	
O=C(c1cccc(O)c1O)N1CC[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1	2185523096	UJULPSQREFZUCA-IEBWSBKVSA-N	368.433	2.213	10	10	FECE	
CN(C(=O)COc1ccc(N)cc1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1	2106771461	IYPYVWIJAYIBQI-INIZCTEOSA-N	363.458	2.409	10	10	FECE	
CC(C)(C)OC(=O)NCCN(CC(=O)Nc1ccc(N)cc1)CC1CC1	2106734189	MJBPJYCUOISXOT-UHFFFAOYSA-N	362.474	2.444	10	10	FECE	
Nc1ccc(O)c(CN2CC[C@@](CNC(=O)C(F)(F)F)(C3CC3)C2)c1	2106745515	QYUCOTNCDWFDCY-INIZCTEOSA-N	357.376	2.255	10	10	FECE	
CN1CCCc2cc([C@H](N)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)ccc21	2106948399	PXJJFXJJFNXPSA-FXAWDEMLSA-N	361.486	2.441	10	10	FECE	
Cc1cccc(CNCCn2cc(CNC(=O)OC(C)(C)C)nn2)c1O	2271507585	DMIPCCQPQOBWBV-UHFFFAOYSA-N	361.446	2.107	10	10	FECE	
CC(C)(C)OC(=O)N1CCOCC[C@@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2257618249	BMYFBIZSKLGDPH-GFCCVEGCSA-N	353.423	2.219	10	10	FECE	
Nc1ccc(OCCC(=O)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)cc1	2286111824	ATXRBCLABZTNOM-ZDUSSCGKSA-N	373.375	2.097	10	10	FECE	
COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1O	2297315703	UETLSICTJXXLAW-UHFFFAOYSA-N	368.345	2.076	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N[C@@H]1c2ccccc2C[C@@H]1O	2302056998	BKDMPDSOKPOMHE-RBBKRZOGSA-N	364.445	2.311	10	10	FECE	
Cc1ccc([C@H](CNC(=O)C=Cc2ccc(O)c(O)c2)N2CCOCC2)o1	2307981921	DNSFRTMGJVXDTI-INIZCTEOSA-N	372.421	2.202	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2312334268	QNQGXNYMDXQPAA-XQHKEYJVSA-N	353.423	2.264	10	10	FECE	
C[C@H](NC(=O)CNC(=O)C1CCCC1)c1ccc(N2CCOCC2)cc1	109189946	WNBOFBQKVZVGRB-HNNXBMFYSA-N	359.470	2.007	10	10	FECE	
O=c1n(CCN(Cc2ccco2)Cc2ccccc2O)nc2ccccn12	109761279	UMKOAUOFKPUUEF-UHFFFAOYSA-N	364.405	2.497	10	10	FECE	
O=c1[nH]c2ccc(S(=O)(=O)Nc3nc(-c4cccnc4)cs3)cc2[nH]1	175849970	DIUXCGORSJHMDB-UHFFFAOYSA-N	373.419	2.176	10	10	FECE	
Cc1cc(O)cc(=O)n1[C@H](C)C(=O)NCc1c(O)ccc2c1CCCC2	178293702	VEXQZQOMWDPSCJ-CYBMUJFWSA-N	356.422	2.324	10	10	FECE	
COc1ccc(O)c([C@@H](C)NCCS(=O)(=O)c2cccc(C#N)c2)c1	182358072	IIRVFIKHLAJEGU-CYBMUJFWSA-N	360.435	2.397	10	10	FECE	
CN(C[C@H]1CCCO1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	77002701	VERDXZLURFBEDQ-MRXNPFEDSA-N	365.449	2.107	10	10	FECE	
CC(C)CN1C(=O)/C(=C/N[C@@H](C)c2ccc(F)cc2F)C(=O)NC1=S	255437753	XWFRCMLKPIJHFA-JLATVTFTSA-N	367.421	2.399	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C\[C@H]1CCCO1	819463564	TXSROTFLFNFZMC-BRLPQQTGSA-N	353.802	2.282	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CN1CCN(C2CC2)C1=O	822898214	KFYBSFUVLCEHKU-UHFFFAOYSA-N	358.486	2.390	10	10	FECE	
COc1cc(Br)cc(CNC[C@@H]2CCCCN2CCO)c1O	824583663	OEIMLZHVOIUYQF-AWEZNQCLSA-N	373.291	2.100	10	10	FECE	
COC(=O)[C@@H]1CN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)CCO1	826003731	VALXKOMZLMISTK-SFHVURJKSA-N	356.422	2.037	10	10	FECE	
Cc1cc(CC(=O)N[C@H]2CCCS(=O)(=O)C2)c(C)n1-c1ccccc1	827305117	MQKMWPBVWMSDEH-KRWDZBQOSA-N	360.479	2.330	10	10	FECE	
C[C@H](NC(=O)c1ccn2nccc2n1)c1ccc(N2CCOCC2)cc1	900387007	NZYHGGOQFAINTG-AWEZNQCLSA-N	351.410	2.057	10	10	FECE	
C[C@H]1C[C@H](S(=O)(=O)NCc2cc(Br)ccc2O)CCO1	831521478	ALDVBVDJWNMWNE-JOYOIKCWSA-N	364.261	2.142	10	10	FECE	
Cc1cc(O)c(CNc2cnn(CCN3CCOCC3)c2)c(Cl)c1	840906829	IWOJZDKFOJFPCJ-UHFFFAOYSA-N	350.850	2.495	10	10	FECE	
COC[C@@](C)(O)CCNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	840381957	MEEOABMZYYMFBY-KXBFYZLASA-N	351.491	2.079	10	10	FECE	
COc1cc(Br)cc([C@H](C)NCCCS(C)(=O)=O)c1O	848523636	AJSMNAXTRZTYMO-VIFPVBQESA-N	366.277	2.249	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)NC2CC(CC(N)=O)C2)CCCC1	928054924	BQQCDODSIREORU-UHFFFAOYSA-N	369.465	2.299	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cn4c(n3)CC[C@H](C)C4)CC2)cc1	857901009	IUOHKHMBVRNQJK-HNNXBMFYSA-N	354.454	2.436	10	10	FECE	
CN(C)c1ccc(CNC(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)cc1	856831423	GFIIAYVUDSPGDP-GOSISDBHSA-N	373.478	2.222	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H](O)Cc3cccc(OC)c3)C2)cc1	855224179	FLWOFXDGXSCOBN-OXQOHEQNSA-N	370.449	2.002	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(C)c(C)cn3)cc2)CC1	935569042	KAFVRGLJSOQECZ-UHFFFAOYSA-N	366.465	2.297	10	10	FECE	
CNC(=O)[C@@H]1CCN(C(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)C1	862016641	RZLXZWKHWMNKMI-QGZVFWFLSA-N	367.449	2.423	10	10	FECE	
COCC(=O)N1CCc2cc(NC(=O)NCc3c(O)cccc3F)ccc21	930980505	NZYRAGFBLXOKFR-UHFFFAOYSA-N	373.384	2.389	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCCc1ncnn1C	862085316	LBADUQKFQFLSJS-UHFFFAOYSA-N	365.437	2.398	10	10	FECE	
COc1cc(CN2CN(CCN(C)C)C(=O)[C@H]2C)c(O)c(C(C)(C)C)c1	1118576947	FBCPBODECKVHBO-CQSZACIVSA-N	363.502	2.250	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCO[C@H](COC(C)C)C2)c([N+](=O)[O-])c1	770229673	WGQPQAAEVIIKJY-PKYBCLHXSA-N	364.398	2.411	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H]3C[C@H]3C3CC3)cc2)CC1	879688071	SKSHOAHWKCGEGN-ICSRJNTNSA-N	355.482	2.408	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3ccc(C)c(O)c3)CC2)cc1	779502077	CIFYSWTWWABLIB-UHFFFAOYSA-N	369.465	2.261	10	10	FECE	
CCc1nc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)no1	775390140	FAPZDLFNRJGJOK-ZDUSSCGKSA-N	364.833	2.385	10	10	FECE	
CC(C)[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)N1CCOCC1	895577534	MQJZELWDEYVYMV-ZDUSSCGKSA-N	364.467	2.399	10	10	FECE	
COC(=O)[C@@H](NCc1cc(Br)cc(C)c1O)c1ccn(C)n1	787438624	RJQUZALDYXEEKM-ZDUSSCGKSA-N	368.231	2.201	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCCCc2cccc(F)c2)cc1	785425856	SLSUZXBBKGWKBK-UHFFFAOYSA-N	357.429	2.257	10	10	FECE	
CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)Cc1ccc(O)c(O)c1)C2	1167518985	ZBKWIWYPUUMRAK-UHFFFAOYSA-N	362.426	2.156	10	10	FECE	
CC(C)[C@H](C(=O)NCc1c(O)cccc1O)S(=O)(=O)C1CCCCC1	1178911030	JNBPEHJIDAAHFK-QGZVFWFLSA-N	369.483	2.486	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](NCc2ccc3c(c2)CCO3)C1	2116264759	GWADJECDFRMLER-IRXDYDNUSA-N	362.470	2.329	10	10	FECE	
Cc1ccc(-c2nnn(CC(=O)NCc3ccc4cccnc4c3O)n2)cc1	1469250972	VOAMDGXDWBXFNR-UHFFFAOYSA-N	374.404	2.219	10	10	FECE	
NC(=O)[C@@H](Cc1ccccc1)NC1CCN(c2ccc3c(c2)OCO3)CC1	1615701636	CMBSNLVIJXYEMP-GOSISDBHSA-N	367.449	2.070	10	10	FECE	
Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)NCc1ccc(O)cc1O	1626837846	GPZYUJMBMKRFOU-UHFFFAOYSA-N	354.410	2.164	10	10	FECE	
CNC(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	1634434578	DVRZKDVVJHMSKE-HNAYVOBHSA-N	368.481	2.470	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1CSC(c2ccccc2O)=N1	1630334794	HJRMRWPUSSPVMZ-CYBMUJFWSA-N	358.419	2.024	10	10	FECE	
C[C@@H](NC(=O)c1cnc2c[nH]nc2c1)c1ccc(N2CCOCC2)cc1	1631363675	YARSDVIFZHCJAC-CYBMUJFWSA-N	351.410	2.286	10	10	FECE	
COc1ccc(N2CCN(CC(=O)NC(C3CC3)C3CC3)CC2)c(OC)c1	1644225602	RHYYDOFBIOYAHI-UHFFFAOYSA-N	373.497	2.131	10	10	FECE	
CC[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CCN1CC(F)F	153407093	RPDYUMSPTOHNDH-MRXNPFEDSA-N	368.472	2.030	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(C2CCC2)nn1C	155374547	JBIVQANNNQMJFX-UHFFFAOYSA-N	369.469	2.351	10	10	FECE	
COc1ccccc1-n1c(C)cc(C(=O)N2CCN(C(C)=O)CC2)c1C	1873811104	VGPNFKJOEJZQSQ-UHFFFAOYSA-N	355.438	2.407	10	10	FECE	
CCOC(=O)c1cc(C)sc1NC(=O)c1nnn(-c2ccc(N)cc2)n1	1857879174	XDBWZTVKFUCIBE-UHFFFAOYSA-N	372.410	2.043	10	10	FECE	
CCN[C@H](c1ccccc1O)[C@]1(O)CCOC[C@H]1NC(=O)OC(C)(C)C	1922427262	XPZXJBASILLREZ-MDZRGWNJSA-N	366.458	2.088	10	10	FECE	
Nc1ccc(-n2ccc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)n2)cc1	312272849	IOJLVVPILGEZGZ-SFHVURJKSA-N	361.449	2.459	10	10	FECE	
C[C@H]1[C@@H](C)S(=O)(=O)CCN1c1ccc([C@@H](C)N)cc1Br	2170277515	PLJYPANFTBKRBU-OUAUKWLOSA-N	361.305	2.481	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CCC[C@H](C(N)=O)C3)ccc(N)c2C1	380153583	XTKPBEBPZMJUOA-ZDUSSCGKSA-N	374.485	2.264	10	10	FECE	
C[C@@H]1CN(c2cc3c(cc2N)OCC(=O)N3)CCN1Cc1ccccc1	396356622	ISNNQTFHBXLQFT-CQSZACIVSA-N	352.438	2.310	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC(CC(=O)C(=O)C[C@H]3C[C@H](N)C3)C2)C1	2049782814	NICSBOPFVSIOQP-MQMHXKEQSA-N	350.459	2.289	10	10	FECE	
CN1CCc2cc([C@H](CN)N3C[C@H]4C[C@@]4(NC(=O)OC(C)(C)C)C3)ccc21	2194828530	BHWFQFVUJDVPHN-PLMTUMEDSA-N	372.513	2.278	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]1C(=O)NCCc1ccc(O)c(O)c1	2060369096	NOIIINFMEBDYCH-IAQYHMDHSA-N	350.415	2.012	10	10	FECE	
CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2060638814	BEHBZEJRZUNNPV-VXGBXAGGSA-N	355.439	2.342	10	10	FECE	
C[C@@H]1COC[C@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])N1C(=O)OC(C)(C)C	2060620445	AKSVWDDBPABUFE-JHJVBQTASA-N	353.423	2.312	10	10	FECE	
C[C@@H](CCS(C)(=O)=O)N(C)Cc1c(O)cccc1Br	2104456852	UJIFMCNYCYNZAJ-JTQLQIEISA-N	350.278	2.410	10	10	FECE	
CN(C)c1ccc([C@H](O)Cn2cc(CNC(=O)OC(C)(C)C)nn2)cc1	2106790643	KJDSVDMSKVHKCB-MRXNPFEDSA-N	361.446	2.102	10	10	FECE	
COC[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(Cc2cc(N)ccc2O)C1	2273809780	KJSGUUGXUQYQDX-CJNGLKHVSA-N	365.474	2.336	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)NC[C@@H](c1ccccc1)N1CCOCC1	2307987469	HUGAYVPZXHSMSN-SFHVURJKSA-N	368.433	2.301	10	10	FECE	
C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C(=O)N1CCCCC1	176034302	VVARATNXPSPGBT-CQSZACIVSA-N	359.470	2.471	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H](C)c3cn(C)nc3C)CC2)cc1	69339505	JWBDTZIBTBECGE-AWEZNQCLSA-N	357.458	2.330	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NCc1cc(F)ccc1O	380867091	ZGGOPDJYMZLZBU-DRPJVOAASA-N	352.406	2.302	10	10	FECE	
COc1ccc(N2CCN(c3ccnc(C(=O)NC4CC4)c3)CC2)cc1	253440321	RGNQXRUFWCYBCO-UHFFFAOYSA-N	352.438	2.309	10	10	FECE	
C[C@@H](NC(=O)N=c1cc[nH]cc1N(C)C)c1ccc(N2CCOCC2)cc1	801924460	VMIXWJDFRPIPFN-OAHLLOKOSA-N	369.469	2.289	10	10	FECE	
O=c1cc(/C=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)nc2nc[nH]n12	806570655	GQXJAOWLJWBSLO-GQCTYLIASA-N	366.381	2.487	10	10	FECE	
CNC(=O)[C@@H]1CCN(CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)C1	817282493	FQEUIPBLPCHEHH-CQSZACIVSA-N	374.872	2.393	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1	2132410618	OHAPPZQKXHJDSK-LLVKDONJSA-N	366.414	2.180	10	10	FECE	
CN(C[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1)C(=O)OC(C)(C)C	2132404464	RZJBVNOWUYHHJS-NSHDSACASA-N	366.414	2.132	10	10	FECE	
CN(c1ccc(CNC[C@H](O)CN2CCOCC2)cc1)C1CCCCC1	818981521	VTTHZXXJKXROAV-NRFANRHFSA-N	361.530	2.238	10	10	FECE	
CC(C)C[C@@H](CO)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	823542056	BMCACOCYLSSTPB-SFHVURJKSA-N	363.502	2.196	10	10	FECE	
COc1cc(-c2noc(CN[C@H](C)c3ccc(N(C)C)cc3)n2)ncn1	828958658	BGGQDVWHVMDUDQ-GFCCVEGCSA-N	354.414	2.452	10	10	FECE	
O=C1Cc2c(C(=O)NCc3ccc(N4CCCCC4)cc3)ccnc2N1	824261711	JCEBVDNTTIMKOR-UHFFFAOYSA-N	350.422	2.497	10	10	FECE	
O=C(NCc1nc(C2CC2)n[nH]1)NCc1cc(Br)ccc1O	838644885	MAPAOOKESILRKN-UHFFFAOYSA-N	366.219	2.150	10	10	FECE	
Cc1cc(C(=O)CN2CCC[C@@](O)(CO)C2)c(C)n1-c1cccc(F)c1	839148685	LXNKLLLEGOAFDA-FQEVSTJZSA-N	360.429	2.235	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cncc(C(C)=O)c1	911308257	GJJYZPMZDMSNJK-UHFFFAOYSA-N	356.378	2.195	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3cc(C)n(C)c3C)CC2)cc1	742926855	CMZLTIXDMZLIQM-UHFFFAOYSA-N	370.497	2.203	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)NC1([C@@H]2CCCCO2)CC1	914335735	RAGVEJHJBAPUIM-SFHVURJKSA-N	359.470	2.424	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCc1ccc([C@H](C)N)cc1	842152693	HYFMOIOKHTWRGQ-HNNXBMFYSA-N	368.481	2.013	10	10	FECE	
CN(C)c1ccc(CNC(=O)CCc2ccc(S(C)(=O)=O)cc2)cc1	929402003	ABDZPJPRTRKOHL-UHFFFAOYSA-N	360.479	2.405	10	10	FECE	
CCOC[C@@H]1CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CCO1	858762493	ISFCQOXBSZGPOR-VSKVDJIOSA-N	350.371	2.023	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cnn4ccc(C)nc34)C2)cc1	855230950	QXWKINXLHNAXFN-AWEZNQCLSA-N	351.410	2.055	10	10	FECE	
COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1	850073187	XNGDCPYNSZLLSR-DAXOMENPSA-N	350.434	2.074	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CNC[C@@H]3CC[C@H]4C[C@H]4C3)CC2)cc1	863562815	LSCCKVBRDUTERF-RCLSDMTESA-N	373.541	2.204	10	10	FECE	
C[C@@H]1C[C@H]1c1noc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)n1	865909099	XFJXDPBGRBZHSB-CXAGYDPISA-N	370.453	2.332	10	10	FECE	
C[C@H](NC(=O)Cn1c(O)nc2ccccc2c1=O)c1ccc(N(C)C)cc1	773019785	QOURLSVMWJGDIJ-ZDUSSCGKSA-N	366.421	2.046	10	10	FECE	
CC(=O)c1cc(F)cc(Cn2cc(C[C@@H](N)Cc3ccccc3)nn2)c1O	880996655	ZCFGQIRJYRPTAO-KRWDZBQOSA-N	368.412	2.486	10	10	FECE	
CS[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H]1N(C)C	897238005	SZNFMXOUCNJAOX-BONVTDFDSA-N	352.481	2.430	10	10	FECE	
COC(=O)c1[nH]c(CNCc2ccc(N3CCN(C)CC3)cc2)cc1C	895608086	WYBOIQWAWFZNKB-UHFFFAOYSA-N	356.470	2.151	10	10	FECE	
CCN(CC)c1ccc(CN2CCC(O)(COCCO)CC2)cc1F	895827759	PMTZHTRPWOLHOC-UHFFFAOYSA-N	354.466	2.008	10	10	FECE	
COc1ccc(C(=O)NCc2cccc(O)c2O)nc1Br	1637046768	XXOHKFUBFZSGNM-UHFFFAOYSA-N	353.172	2.194	10	10	FECE	
Cn1cc(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)nc1CNC(=O)OC(C)(C)C	2124538400	JHYOZWUDLSQMLJ-LLVKDONJSA-N	363.422	2.360	10	10	FECE	
COC(=O)[C@H](CNC(=O)Cc1ccc(O)c(O)c1)Cc1cccc(C)c1	1585543999	AZOXHNYIAKJTHD-INIZCTEOSA-N	357.406	2.097	10	10	FECE	
CO[C@@H](CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1)C1CCCC1	1684308138	NQGOIWYUQIJMOQ-FQEVSTJZSA-N	374.529	2.443	10	10	FECE	
C[C@H](N=c1nc(CCNC(=O)OC(C)(C)C)[nH]n1C)c1ccccc1O	2126768144	OYNAAHKDQDCMDN-LBPRGKRZSA-N	361.446	2.183	10	10	FECE	
OC[C@@H]1CCCN1c1cc(NCCCSc2nccs2)ncn1	156411278	IGBLBTWYMCHZGW-LBPRGKRZSA-N	351.501	2.489	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(CN=[N+]=[N-])CC1)C1(O)CCC1	2131457975	QMKNAIRKPXTXJZ-CYBMUJFWSA-N	367.450	2.344	10	10	FECE	
COC(=O)C=Cc1ccc(N2CC[C@H](C)[S@@](=O)CC2)c([N+](=O)[O-])c1	2054096828	MXAPSEHZAQSUQD-MCFWBGNESA-N	352.412	2.128	10	10	FECE	
CN(C(=O)CN1C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1)c1ccc(N)cc1	2188890952	RFQGBVGSOSIHMG-WMLDXEAASA-N	374.485	2.173	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)Nc2ccc(N)cc2)C1	2044247262	HEEZZUTZIOTAAT-AWEZNQCLSA-N	350.419	2.026	10	10	FECE	
C[C@@H](O)CN(CCNC(=O)Nc1ccc(N)cc1)C(=O)OC(C)(C)C	2044245707	MECGMIOMTRNLQB-GFCCVEGCSA-N	352.435	2.008	10	10	FECE	
CO[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N(C)CCCN=[N+]=[N-]	2063955374	ZVTDAVHPQYRBRZ-OLZOCXBDSA-N	355.439	2.417	10	10	FECE	
CN(Cc1cc(N)ccc1O)C1(CNC(=O)OC(C)(C)C)CCOCC1	2106678022	LVTDKFQWZIYLFL-UHFFFAOYSA-N	365.474	2.480	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCCNc3ccccc32)=C[C@@H]1O	2200988612	OWUGLMPNBGCAQO-WBVHZDCISA-N	373.453	2.420	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)C=Cc1ccc(C(N)=O)cc1	2297772182	BRAWYDHOBQJAOU-UHFFFAOYSA-N	351.406	2.290	10	10	FECE	
CCC[C@@]1(C)C(=O)NCCN1C(=O)C=Cc1ccc(N2CCOCC2)cc1	2310806716	GDAAOXXLMSUSDE-NRFANRHFSA-N	371.481	2.054	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-]	2312333812	BGTKFRMIPRVGOW-VOAKCMCISA-N	353.423	2.094	10	10	FECE	
O=C(NCC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccccn1	173666666	NMERZRFIHCMUIT-UHFFFAOYSA-N	365.389	2.339	10	10	FECE	
Oc1c([C@H]2CNCCN2)cc(Br)c(F)c1Br	309501167	NLQUTJSSYICSAV-SSDOTTSWSA-N	354.017	2.290	10	10	FECE	
CO[C@H](C)[C@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	188870567	BEYBRJSCLSHACV-QWHCGFSZSA-N	353.438	2.009	10	10	FECE	
Cc1cc(C(=O)N2CCN(C[C@@H](C)O)CC2)c(C)n1-c1ccc(F)cc1	186839434	GANYTHNHPNEHCY-OAHLLOKOSA-N	359.445	2.372	10	10	FECE	
O=C1C[C@@H](c2ccccc2)N(C(=O)/C=C/c2ccc(O)c(O)c2)CCN1	180673090	RWPYJGYUEMSFHL-DYLHUKMJSA-N	352.390	2.201	10	10	FECE	
C[C@H](NCC1CN(S(C)(=O)=O)C1)c1ccc(N2CCCCC2)c(F)c1	187824405	MVYOJRPTUWRVCO-AWEZNQCLSA-N	369.506	2.358	10	10	FECE	
C[C@@H](O)CN1CCN(Cc2ccc(OCc3ccccc3)cc2O)CC1	188735159	WMUDQTFZBVMBOZ-QGZVFWFLSA-N	356.466	2.470	10	10	FECE	
CO[C@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1	187996202	CEEJKWSERYWCOP-MJGOQNOKSA-N	361.486	2.262	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(C(=O)N2CCc3cc(O)c(O)cc3C2)C1	2366902492	IABLOMVXPDRPII-VBKZILBWSA-N	374.437	2.240	10	10	FECE	
C[C@H](O)CNc1ccc(NC[C@H](C)O)c2c1C(=O)c1ccccc1C2=O	147293598	UHETYMRNMJBOCJ-RYUDHWBXSA-N	354.406	2.047	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CCCC2)CC[C@H]1COc1nnc(=N)[nH]n1	2226135610	DLBKCRFNHGKFSP-LBPRGKRZSA-N	364.450	2.018	10	10	FECE	
CCCCNC(=O)c1cnc(N2CCN(c3ccc(OC)cc3)CC2)cn1	242874884	GIJRBKANBLGYTQ-UHFFFAOYSA-N	369.469	2.342	10	10	FECE	
COc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)c1O	363492641	GFMXIDDDNABEPO-HNNXBMFYSA-N	374.462	2.312	10	10	FECE	
Cc1noc(CCCNC(=O)NCc2cc(Br)ccc2O)n1	805054401	KFBJMKCPLYRZIZ-UHFFFAOYSA-N	369.219	2.278	10	10	FECE	
CC1(NC(=O)OC(C)(C)C)CN(C(=O)c2ccn(-c3ccc(N)cc3)n2)C1	2165759995	VAZRTOBNRGGNRF-UHFFFAOYSA-N	371.441	2.194	10	10	FECE	
C[C@H](NC(=O)C(=O)NCCCSc1nccs1)c1cscn1	828240333	YMKRQCBPEZSZQE-VIFPVBQESA-N	356.498	2.075	10	10	FECE	
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCCN(c2ccc(OC)cc2)CC1	906352944	MBCMPZVIIYDTAS-ZWKOTPCHSA-N	360.454	2.323	10	10	FECE	
Cn1cnc(CCNC(=O)NCc2ccc(N3CCSCC3)cc2)c1	837650767	AOEDOHKKLYOEOV-UHFFFAOYSA-N	359.499	2.015	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCN(Cc2cccc(O)c2)CC1	588405120	ITFKVELBDSSTHU-ALCCZGGFSA-N	354.406	2.161	10	10	FECE	
COc1ccccc1[C@@H](O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	912709175	BWXGMQJKVMSTKQ-HXUWFJFHSA-N	370.449	2.006	10	10	FECE	
O=C([C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F)N1Cc2cccc(O)c2C1	913726398	OBHOXAXEUQRNLY-NVXWUHKLSA-N	367.323	2.045	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@H](N)[C@@H]3C)cc2F)C[C@@H](C)O1	841712374	OLALVCCMPSRVJP-LOUJCGABSA-N	364.465	2.070	10	10	FECE	
O=C(O)c1cnn2c(O)cc(CN3CCC[C@H]3Cc3cccc(F)c3)nc12	846241714	MJNQZTZJZHHUOQ-HNNXBMFYSA-N	370.384	2.479	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H]3CCCN4CCCC[C@H]34)cc2)C1	924729023	MBSZGFHWXRSUDQ-HLAWJBBLSA-N	370.541	2.495	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@](O)(C4CC4)C3)C2)cc1	854295756	BGBNYLXSXGGKJR-OXJNMPFZSA-N	359.470	2.220	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc(S(C)(=O)=O)cc3)C2)cc1	855230784	YBRDOZPPXQVPFE-OAHLLOKOSA-N	374.462	2.107	10	10	FECE	
COc1cccc([C@H](C)NC[C@@H]2CN(Cc3ccncc3)CCO2)c1O	858564859	WUBKMQLVPGFMOB-DOTOQJQBSA-N	357.454	2.347	10	10	FECE	
COc1ccc(N2CCC(NC(=O)NCCO[C@@H]3CC3(F)F)CC2)cc1	852529576	IDCKLZSIMQMABO-MRXNPFEDSA-N	369.412	2.387	10	10	FECE	
CN1C(=O)C(=Cc2cccc(F)c2OCC(F)(F)F)C(=O)N(C)C1=O	863177586	RKZUPAHXNLKNQH-UHFFFAOYSA-N	360.263	2.201	10	10	FECE	
CN(CC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)C1CCC1	863902014	ZQRCDURECIVCTC-UHFFFAOYSA-N	370.541	2.319	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1nc(-c2ccncc2)no1	773763404	VFOIREWIECYOSX-LBPRGKRZSA-N	368.393	2.223	10	10	FECE	
C[C@@H]1CO[C@H](C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1	888290039	WIXWCGHRVOZUBP-FLTUCWPJSA-N	350.434	2.481	10	10	FECE	
COCC[C@@H]1CCCCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1	785434356	STERHXWVMCTAMD-KRWDZBQOSA-N	361.486	2.034	10	10	FECE	
COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(O)c(OC)c1	797819269	CMHBQFPCTVSZIC-UHFFFAOYSA-N	355.343	2.127	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3C[C@@H]4CC[C@H]3N4)cc2F)C[C@H](C)O1	1341658179	FXAVAQAIATVEGC-VLGRORTASA-N	361.461	2.196	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC(Cc2cccs2)C1	1329340973	BSSKLYHBLNWVLH-UHFFFAOYSA-N	371.506	2.474	10	10	FECE	
Cc1ccccc1[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CCO1	1335573861	SHATWQFVWGBAET-IBGZPJMESA-N	366.417	2.143	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@]3([C@H]4CCCCO4)CCCO3)CC2)cc1	1356446967	QTFHJVFRFFVKEA-TZIWHRDSSA-N	374.481	2.462	10	10	FECE	
Cc1ccc(-n2nnc(CC(=O)NCc3cc(O)ccc3O)c2C)cc1	1471661565	SVWYODMRLLICLD-UHFFFAOYSA-N	352.394	2.154	10	10	FECE	
Cn1c(=O)n(CCC(=O)NCc2cccc(Cl)c2O)c2ccccc21	1637227082	MQIUSUGXSMAOGH-UHFFFAOYSA-N	359.813	2.406	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)Cn3nc(C)oc3=O)c2C)c1	1648611443	BXRSAWIIAXMDGR-UHFFFAOYSA-N	354.410	2.177	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(C(=O)N3CCC[C@@H]3CN=[N+]=[N-])(CO1)C2	2124533963	QRUZJCJPUUMQML-AXOLYNHLSA-N	365.434	2.362	10	10	FECE	
CC[C@H]1CN(c2nnc(C)n2Cc2ccc(N3CCOCC3)cc2)CCO1	1763475980	FQZUEGDDNMWZOJ-IBGZPJMESA-N	371.485	2.087	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)N2CCC(CN=[N+]=[N-])CC2)C1	2126934618	VOWFYOBUYXMWAK-QGZVFWFLSA-N	367.450	2.297	10	10	FECE	
CCN1CCN([C@@H](C)CN[C@H](C)c2ccc(N3CCC(O)CC3)cc2)CC1	155566418	LUWULBWVYQQGDK-RBUKOAKNSA-N	374.573	2.324	10	10	FECE	
C[C@H](NC(=O)[C@H]1COCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O	827959570	BBGBHUCZMGIKPZ-UONOGXRCSA-N	364.442	2.453	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)cc1F	1117133384	CHWVDMNETVIDLY-RDJZCZTQSA-N	373.403	2.319	10	10	FECE	
CN1CCc2cc([C@@H](N)c3cnn(C)c3CNC(=O)OC(C)(C)C)ccc21	2163144543	NHHNRKCXWKDQQZ-GOSISDBHSA-N	371.485	2.485	10	10	FECE	
COc1cc2c(cc1C=C1SC(=S)N(CC(=O)O)C1=O)O[C@H](C)C2	2053589607	OFPYJUNKNVXQIC-MRVPVSSYSA-N	365.432	2.304	10	10	FECE	
CS(=O)(=O)c1cnn(Cc2ccc(Br)cc2O)c1Cl	2070246133	UEUMDNIDOFVTEA-UHFFFAOYSA-N	365.636	2.456	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2060636787	BOYJJUPXQAUMQF-QWHCGFSZSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])CC1	2063390757	GNANQNGGZIXPFE-GFCCVEGCSA-N	353.423	2.050	10	10	FECE	
O=C(NC[C@]12CC[C@H]1CN(Cc1ccccc1)C2)c1cc(O)c(O)c(O)c1	2201252490	YNOVWYBUPSIAHY-KKSFZXQISA-N	368.433	2.445	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(F)cc2O)CC1	2084169101	VLKQFJWZQNQCCB-UHFFFAOYSA-N	354.422	2.383	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)COc1ccc(N)cc1)C1CC1	2106240393	YABHDXCNLSQNFG-LJQANCHMSA-N	363.458	2.457	10	10	FECE	
CCCCN(CCO)c1cc2c(cc1Br)[C@H](NC)C(=O)N2	118712001	VTWGMWUADMUQEP-AWEZNQCLSA-N	356.264	2.261	10	10	FECE	
CCOc1ccc(O)c(CN[C@@H]2CCCN(c3cc(C)nn3C)C2=O)c1	173849778	RVCIYXBRXYRPHE-MRXNPFEDSA-N	358.442	2.118	10	10	FECE	
CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc(N(C)C)c(F)c1	87252913	CYUBEHVKSRNIPD-AWEZNQCLSA-N	360.437	2.380	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)NC1CCN(C2CC2)CC1	255046130	CNEJYLPPOBAMNZ-BAQGIRSFSA-N	355.482	2.279	10	10	FECE	
CC[C@@H](NCCN1CCN(c2ccc(OC)cc2)CC1)c1nccn1C	271651299	BGJGMJYVFMWSGD-LJQANCHMSA-N	357.502	2.292	10	10	FECE	
CC(=O)C(=O)COC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	808543737	ZRQHMSHSAPYBHB-UHFFFAOYSA-N	356.422	2.109	10	10	FECE	
CCN(C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1)C1CC(C)(C)C1	817510433	JYSMPOSQMMYGKF-UHFFFAOYSA-N	373.497	2.177	10	10	FECE	
C[C@@H](CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)n1cccc1	729525203	GUAMYHFSPBJMKY-FUHWJXTLSA-N	368.481	2.457	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1onc2c1CCCC2	822687665	FFUCNIOELNCIIE-UHFFFAOYSA-N	359.401	2.459	10	10	FECE	
C[C@H]1[C@H](NC(=O)c2c(F)ccc(O)c2O)CC(=O)N1Cc1ccccc1	831210317	GYERSQSBCSPKEI-SMDDNHRTSA-N	358.369	2.156	10	10	FECE	
C[C@H](NC(=O)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(N2CCOCC2)cc1	914401037	ZVXIGMDHTABQRM-BOLBYERCSA-N	371.481	2.475	10	10	FECE	
Cc1cc(O)c(CN2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c(Cl)c1	840946635	DASVZFGMALVSSD-APPDUMDISA-N	351.834	2.307	10	10	FECE	
Cn1nccc1[C@@H]1COCCN1Cc1cccc(Br)c1O	846116905	YEPGVYGHSUARRG-AWEZNQCLSA-N	352.232	2.462	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3ccc(C)c(F)c3)C2)cc1	850536562	LDIBXOCMDZDBHW-OAHLLOKOSA-N	371.412	2.476	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)NCC3CCC(O)CC3)C2)cc1	854188227	YYQFTQJSLHWVGT-PQUAAJSLSA-N	361.486	2.372	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1	750663355	SJAOEFBGVPHYOD-YXJHDRRASA-N	358.486	2.293	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N(C)c2ccc(OC)cc2OC)c1	752448828	QYKVKMPZLPKJMC-YVMONPNESA-N	355.394	2.135	10	10	FECE	
O=[N+]([O-])c1cc(CN2CCN3CCOC[C@@H]3C2)ccc1N1CCCCC1	757930158	JFEOVMWGEKBDDW-KRWDZBQOSA-N	360.458	2.102	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)[C@@H]1CCc2nc[nH]c2C1	854442101	HAAIDXMBICUQGU-SECBINFHSA-N	350.216	2.299	10	10	FECE	
OC[C@@H]1CCC2(CCOCC2)CN1Cc1ccc(N2CCOCC2)cc1	931168636	NCAJVWQBFGAASC-FQEVSTJZSA-N	360.498	2.277	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H]2Cc3cncn3C2)cc1	861891942	OLNBEKDRIVLPOX-GOSISDBHSA-N	362.433	2.387	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)Cn3ccc(C(F)F)n3)C2)cc1	862034736	AVNDBOOSGFJSJY-CYBMUJFWSA-N	364.396	2.472	10	10	FECE	
COc1ccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1OC	775286564	XIXQMQVRENYPKP-UHFFFAOYSA-N	354.340	2.118	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)N3CC(C)=C[C@H](C)C3)CC2)cc1	797439857	HQBIDLCOHOEXOC-KRWDZBQOSA-N	372.513	2.425	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC(OC)(C(F)(F)F)C3)C2)cc1	1312995107	SFUXQKBJFJKEOE-LBPRGKRZSA-N	373.375	2.247	10	10	FECE	
COc1cc(Br)cc(CNCC2(C(=O)O)CCOCC2)c1O	1326991061	MZXGJDCAYHTSTR-UHFFFAOYSA-N	374.231	2.134	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CC2)n1C[C@]1(O)CCSC1	1517145812	CMOCSNBBRWQKDC-GOSISDBHSA-N	360.483	2.366	10	10	FECE	
C[C@@H](C(=O)NCc1ccc2cccnc2c1O)n1nnc(-c2ccccc2)n1	1451959321	XALAVYIUSOAUQU-ZDUSSCGKSA-N	374.404	2.471	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)CCCC1	1534765056	BTQKPKCEIAOUIZ-OKILXGFUSA-N	369.465	2.251	10	10	FECE	
CCOCc1nnc(N(C)Cc2ccccc2O)n1C[C@H](C1CC1)N(C)C	1548086002	UXATWBZERSIAQJ-QGZVFWFLSA-N	373.501	2.497	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1cn2c(Br)cnc2s1	1557085344	JMFPLMMTIVJUMZ-UHFFFAOYSA-N	368.212	2.500	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CCS(=O)(=O)C1CCCC1	1627026712	UKZCFVAWYWTIJU-UHFFFAOYSA-N	360.472	2.242	10	10	FECE	
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(O)cccc1O	1639292934	WFZDITOVEQQBIJ-GFCCVEGCSA-N	370.471	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C2(CC2)C1	1648785386	VXMDUCSTCOTHTM-OAHLLOKOSA-N	362.426	2.156	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)CN1CC(NC(=O)OC(C)(C)C)C1	2124174017	CAKMCKSJPHWUCO-ZDUSSCGKSA-N	363.458	2.121	10	10	FECE	
CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2124518163	UWNLPIDSKYVFCG-ZIAGYGMSSA-N	368.482	2.380	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCOC1	1747750702	XIMUIJPCJJCUOK-GOEBONIOSA-N	358.442	2.161	10	10	FECE	
CNc1ncccc1C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O	1597572030	JCLLCKYVHRVDFY-UHFFFAOYSA-N	363.801	2.298	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)N[C@@H](CO)C2CCCC2)N(C)C)cc1	1687806626	IYCVNBYDVMDCKT-RBUKOAKNSA-N	362.518	2.206	10	10	FECE	
C[C@H](NCc1ccc2c(c1)CCCO2)C1(O)CN(C(=O)OC(C)(C)C)C1	1918712582	WWLFKWBPNFUFKI-AWEZNQCLSA-N	362.470	2.472	10	10	FECE	
COc1ccc([C@@H](C)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(O)c1	1918994659	VBEXMOVCSMJUMY-YJYMSZOUSA-N	366.458	2.423	10	10	FECE	
CCS(=O)(=O)C[C@@H](C)N(C)c1ccc(CNC)c(Br)c1	2170562944	UWAUDIFORIRWLG-LLVKDONJSA-N	363.321	2.428	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@@H](N=[N+]=[N-])C1)[C@@H]1CCCO1	2060638255	UWCHCSNTXBDUSE-AGIUHOORSA-N	353.423	2.360	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CCO1	2106694642	FGQGEVAURBKZCY-DOMZBBRYSA-N	364.446	2.415	10	10	FECE	
COc1ccc(CN[C@@]23CO[C@@H](C2)[C@@H](NC(=O)OC(C)(C)C)C3)c(O)c1	2266452519	QUZYSFNGXMFEDQ-URLQWDBASA-N	364.442	2.315	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C=Cc1ccc(NS(C)(=O)=O)cc1	2301491144	ZEBQFFGAHRSHIP-UHFFFAOYSA-N	360.435	2.436	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NCc3ccc(O)c(O)c3O)[C@H]1C2	2308465273	DLWIQZPNBIVTRD-RAIGVLPGSA-N	350.415	2.291	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CCO[C@H]2C[C@@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2331228179	LMFIWXZDCXJHOD-MJBXVCDLSA-N	365.434	2.455	10	10	FECE	
O=C(NN1C(=O)/C(=C\c2ccc[nH]2)SC1=S)c1ccccc1[N+](=O)[O-]	27231252	HOOZALVNXIVCHI-XYOKQWHBSA-N	374.403	2.469	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC(n3cncn3)CC2)c([N+](=O)[O-])c1	301101638	KJPWTAHYQZCARE-HWKANZROSA-N	357.370	2.214	10	10	FECE	
Cc1ccc(N2C[C@@H](C(=O)NCCc3ccc(O)c(O)c3)CC2=O)cc1	98074669	LGUGIHKPQTVQNW-HNNXBMFYSA-N	354.406	2.118	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1nc(COC)cs1	807005575	CHEMYWRCVTWPIQ-UHFFFAOYSA-N	363.439	2.372	10	10	FECE	
C[C@H](NC(=O)[C@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)c1ccccc1O	913764010	YFPABVAXLFRCED-DVOMOZLQSA-N	366.458	2.433	10	10	FECE	
C[C@@H](NC(=O)N[C@@](C)(CCF)C(=O)O)c1ccc(N2CCOCC2)cc1	849236226	DKOAPAIVBZDNHJ-ACJLOTCBSA-N	367.421	2.086	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCCc3c(cnn3C)C2)c([N+](=O)[O-])c1	840358151	HPEOTYVGVQDZPH-VURMDHGXSA-N	356.382	2.467	10	10	FECE	
Cc1cc(O)c(CN2CCN([C@@H]3CCNC(=O)CC3)CC2)c(Cl)c1	840951872	KUKGXMKORNPAHD-AWEZNQCLSA-N	351.878	2.140	10	10	FECE	
CCc1ccncc1NC(=O)C(=O)NCCCSc1nccs1	845902492	DMIPVIWLMOTFPR-UHFFFAOYSA-N	350.469	2.338	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CCNC(=O)c3ccsc3)C2)cc1	855229505	OLWCCFHDLRYRAO-HNNXBMFYSA-N	373.478	2.272	10	10	FECE	
Cc1cc(CC(=O)NC[C@@](C)(O)CCN(C)C)c(C)n1-c1ccccc1	857184196	YDLDVLPUTUTGSG-NRFANRHFSA-N	357.498	2.456	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CNC(=O)Nc3ccccc3)C2)cc1	855228575	DCWCIQZBZSTOOK-INIZCTEOSA-N	368.437	2.212	10	10	FECE	
CCN(Cc1ccccc1)S(=O)(=O)Nc1ccc(O)c(C(=O)O)c1	765093829	CXDYJDQJJZWCFH-UHFFFAOYSA-N	350.396	2.269	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccnn1[C@H](C)C1CC1	760222928	GLCAUQMGKSAKFV-CQSZACIVSA-N	369.469	2.483	10	10	FECE	
C[C@H](NCc1ccc(CN2C(=O)CNC2=O)cc1)c1cc(F)ccc1O	866521758	NZJFVVIYANVZDG-LBPRGKRZSA-N	357.385	2.434	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNc3ccc([C@@H](C)O)cn3)cc2)CC1	865715417	RNZIZJJREQWJIB-OAHLLOKOSA-N	354.454	2.416	10	10	FECE	
Cc1ccc(-n2c(C)cc(C(=O)CN3CC[C@H](NC(N)=O)C3)c2C)cc1F	762925643	LNQUXQVHEIFSKK-HNNXBMFYSA-N	372.444	2.467	10	10	FECE	
C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc2cc(O)c(O)cc2s1	897421501	GVEFWYYUZMWGPG-LBPRGKRZSA-N	363.483	2.068	10	10	FECE	
COC(=O)[C@@H](C)N(C)CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C	796497937	HNAZXFWVWYWWLO-CQSZACIVSA-N	372.421	2.499	10	10	FECE	
C[C@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccc(F)cc1O	702763072	LWICEPZIKYKSOO-HWWQOWPSSA-N	354.422	2.410	10	10	FECE	
COC(=O)C1(O)CN(C(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)C1	1175340050	AGTTWXBDSUVDRF-UHFFFAOYSA-N	362.813	2.107	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCCC(F)(F)C2)cc1F	1345506332	OCTWIKHWDLSVHY-LBPRGKRZSA-N	357.376	2.202	10	10	FECE	
Cc1cc(C(=O)N2C[C@@H](CO)[C@@H](CCO)C2)c(C)n1-c1ccc(F)cc1	1353357067	MRNRRNKBMVPWRM-HOTGVXAUSA-N	360.429	2.296	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCc1ccc(CN2CCCC2=O)cc1	1625268109	UUJLLWWQJDTFIU-UHFFFAOYSA-N	354.406	2.079	10	10	FECE	
COc1ccc(N2CCCN(C(=O)NC[C@@H]3CCCCN3C)CC2)cc1	1638829610	SYMGPEVDYJYITO-SFHVURJKSA-N	360.502	2.401	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@H](O)Cc1cccc(C(F)(F)F)c1	1651225802	YUKNANAALJIFTD-OAHLLOKOSA-N	355.312	2.336	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2COCC[C@@]2(C(=O)N2CC[C@H](N=[N+]=[N-])C2)C1	2124518429	XTVRFHACTQAJEV-IIYDPXPESA-N	365.434	2.171	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](C(=O)NCCCCN=[N+]=[N-])[C@H]1CCOC1	1964945542	ZGYYUJDZKHXWBE-QWHCGFSZSA-N	355.439	2.371	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCOC[C@@H]1C[C@H](O)c1ccco1	1772911363	QWGYGBAYFQTZHO-SCDWMNTPSA-N	359.378	2.055	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CNCCN1CC2(COC2)C1	1965904197	MNKFBPBOEFHIGX-UHFFFAOYSA-N	361.667	2.230	10	10	FECE	
CCc1noc(C)c1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C	160404375	HHXDLDJCQJJVPB-UHFFFAOYSA-N	356.426	2.183	10	10	FECE	
CCN(CC)CCN(C(=O)Cc1ccc(N)cc1)C(=O)c1ccc(N)cc1	1866324305	TUZIASGTNUGITG-UHFFFAOYSA-N	368.481	2.404	10	10	FECE	
C[C@@H](N[C@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1)c1ccc(O)cc1O	1918666903	BDMUTYKACHZDMQ-VXGBXAGGSA-N	352.431	2.119	10	10	FECE	
CN(CCS(C)(=O)=O)c1ccc(CNC2CC2)c(Br)c1	234267547	AXTAWXGNVXXHFS-UHFFFAOYSA-N	361.305	2.182	10	10	FECE	
CC(C)(C)OC(=O)Nc1[nH]ncc1CNCc1cc2c(cc1O)OCO2	311307076	UWTBZJQRUCTCLU-UHFFFAOYSA-N	362.386	2.481	10	10	FECE	
CC(C)(C)OC(=O)NC1(C(=O)NCc2ccccc2O)CCOCC1	827286952	DWEROSUJYRJSCQ-UHFFFAOYSA-N	350.415	2.082	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2CN(c3cc4c(cc3N)OCC(=O)N4)C[C@@H]21	2188886676	AFZKIHNPWURBSQ-ABAIWWIYSA-N	374.441	2.045	10	10	FECE	
CCCN(CCNS(=O)(=O)Cc1ccc(N)cc1)C(=O)OC(C)(C)C	2044245225	GCXYWHHEVHVKTB-UHFFFAOYSA-N	371.503	2.335	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NC(=O)Cc2ccc(N)cc2)C1	2044644434	OXTZEAPVDVMCGA-DLUDVSRJSA-N	367.471	2.103	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C1CC1)C(F)(F)C(=O)C(=O)C[C@H]1C[C@H](N)C1	2049782456	IXFQZEZHQBVMSK-GAFUQQFSSA-N	360.401	2.191	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2060615463	OMEKQWSPDDPEBG-XQQFMLRXSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc(N)cc2)C[C@H]1CCO	2106698939	FXBMHJBQBMOFBN-OAHLLOKOSA-N	364.446	2.104	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@@](C)(O)C3CN(C(=O)OC(C)(C)C)C3)ccc21	2106844030	OLQUDMFVQOJDKZ-XLIONFOSSA-N	361.486	2.297	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-]	2218738518	PRBCVUUSQUBAAH-ZDEQEGDKSA-N	353.423	2.264	10	10	FECE	
CC(C)(C)OC(=O)NCCCC[C@H](NCc1ccc(O)cc1O)C(=O)O	2274065447	DFKFHSLPDCXXLN-AWEZNQCLSA-N	368.430	2.336	10	10	FECE	
CCOc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OC(C)=O	2297578175	WJGGHXCBCXIJOR-UHFFFAOYSA-N	366.373	2.472	10	10	FECE	
CNC(=O)c1cncc(C=CC(=O)N2CCCc3c2cccc3[N+](=O)[O-])c1	2303769343	KYYPAWFNDRWKIR-UHFFFAOYSA-N	366.377	2.342	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C[C@@H]2OCC[C@@H]21	2331228102	IDFTWZSDDAKGLN-XUXIUFHCSA-N	365.434	2.312	10	10	FECE	
COC[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	103381680	RCVUGPFLHJSTQM-GFCCVEGCSA-N	360.376	2.441	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCN2CCC[C@@H]2C1	171902118	HJKDLHBYRNPWOC-GOSISDBHSA-N	360.527	2.229	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCc3cccc(CO)c3)CC2)cc1	171711217	VOLVHPDPDFBMIE-UHFFFAOYSA-N	355.438	2.219	10	10	FECE	
COc1ccc(O)c(CNC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)c1	114543408	FDXLKCNSQBGOLV-MRXNPFEDSA-N	374.462	2.312	10	10	FECE	
C[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCCO1	80010422	KTMAOIQGOLLWAG-HNAYVOBHSA-N	361.486	2.262	10	10	FECE	
CCc1ccc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1F	134613363	WVGFNAKEBWENJN-NSHDSACASA-N	360.385	2.485	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3C[C@H](O)C[C@@H]3[C@@H]3CCCOC3)ccc21	838032000	UPZQUWPMFQPFAM-QWFCFKBJSA-N	373.497	2.140	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1CCN1C1CCOCC1	919919209	WZSSJNVKUVXEHS-FQEVSTJZSA-N	370.497	2.115	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC[C@H]2CS(=O)(=O)c3ccccc3O2)c1	842883747	NOSNZGHEJTVILN-OCCSQVGLSA-N	363.435	2.286	10	10	FECE	
COc1cnc(F)c(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1	847556865	KOOWPIZEUPVLQR-UHFFFAOYSA-N	363.364	2.339	10	10	FECE	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(C(=O)O)on2)cc1	911116322	ZWOFEMVQMPPYOY-HNNXBMFYSA-N	373.409	2.260	10	10	FECE	
Cc1cc(C(=O)CN2CCC(N)CC2)c(C)n1-c1ccc2c(c1)OCO2	843344890	FPUXRNITBWVRMB-UHFFFAOYSA-N	355.438	2.429	10	10	FECE	
Cc1cc(C(=O)CN2CC[C@@H](CO)C2)c(C)n1-c1ccc2c(c1)OCO2	746462873	QSMFSQIDBCUVOP-OAHLLOKOSA-N	356.422	2.320	10	10	FECE	
NCC(F)(F)CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	846673739	DTVXZDVRLNDTBW-NSHDSACASA-N	363.355	2.357	10	10	FECE	
Cc1cc(Cl)cc(CN2CCC[C@H](CNC(=O)[C@@H]3CCCN3)C2)c1O	843058504	UTJZIDYWUIJIMZ-PBHICJAKSA-N	365.905	2.434	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)N1C(=O)N[C@H](c2ccnn2C)C1=O	843309352	OROUQJMBBMVHRY-SUMWQHHRSA-N	355.442	2.019	10	10	FECE	
CO[C@H]1C[C@@H](CNC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1	858530585	JCQBHNGQEHXMEH-XBXGTLAGSA-N	369.412	2.026	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Cc3cnn4ccccc34)C2)cc1	855226445	SBHRFCKDIOOCDG-INIZCTEOSA-N	350.422	2.281	10	10	FECE	
CCOC(=O)CCC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	768544665	QLOHKJDLDLBTGL-UHFFFAOYSA-N	373.497	2.178	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@@]1(CCO)CCOC1	860108606	FFRKTTKTNWLKNX-OAQYLSRUSA-N	370.449	2.426	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC[C@]1(O)CCOC1	862128601	HOLKICKSIDZTAY-FQEVSTJZSA-N	356.422	2.178	10	10	FECE	
CCOC(=O)[C@]1(C)CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CCO1	871225616	VUHGWSBPTGNWIF-FQEVSTJZSA-N	371.437	2.283	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)NCC1([C@H]2CCCCO2)CCC1	1332000083	BIMFWCPOGXKWLE-QGZVFWFLSA-N	360.454	2.206	10	10	FECE	
CCOC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	1269587977	MXKKEVVSGAPUCE-IUODEOHRSA-N	351.472	2.461	10	10	FECE	
CCc1nsc(N2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC2)n1	1465528383	QMIFLUPDWSOIKZ-UHFFFAOYSA-N	373.442	2.225	10	10	FECE	
CCCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1O	1547253017	LEYAPBCVOYCZFN-UHFFFAOYSA-N	368.441	2.141	10	10	FECE	
COC(=O)c1cccc(N)c1N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC	2122552697	PSOIJVKXZCDJNX-UONOGXRCSA-N	365.430	2.102	10	10	FECE	
COC(=O)N1CCC(Cn2c(C)nnc2N(C)Cc2ccccc2O)CC1	1729785639	WWYLAHTVLMDZDE-UHFFFAOYSA-N	373.457	2.407	10	10	FECE	
CCC(CC)(CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1)OC	1682807542	UQIPWENOQWQZDG-UHFFFAOYSA-N	362.518	2.443	10	10	FECE	
C[C@H](NC1CCN(CCN(C)C)CC1)c1ccc(N2CCC(O)CC2)cc1	150948907	BFJNHTMTZRTFMG-SFHVURJKSA-N	374.573	2.324	10	10	FECE	
COc1cc(CN2CCN(C3C[C@@H]4CC[C@H](C3)N4C)CC2)c(O)cc1C	160498503	AEUKBVMKYAAORT-DFNIBXOVSA-N	359.514	2.452	10	10	FECE	
CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2ccc(OC)cc2)CC1	301072290	COFZCGGTOOAMCE-UHFFFAOYSA-N	370.409	2.290	10	10	FECE	
[N-]=[N+]=NC[C@@H]1CCCCN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1	1912147927	MTNMBZBIYMZDTN-UONOGXRCSA-N	357.414	2.056	10	10	FECE	
CO[C@H](C(=O)N(C)Cc1ccccc1O)C1CN(C(=O)OC(C)(C)C)C1	1968865158	IUOJZWJDSKKFIA-INIZCTEOSA-N	364.442	2.233	10	10	FECE	
Cc1ncn(CCCc2ccc(N)cc2)c(=O)c1I	122734724	WURBUOZDTHNYPL-UHFFFAOYSA-N	369.206	2.371	10	10	FECE	
C[C@](CC(=O)O)(NC(=O)OCc1ccccc1)c1c(O)cc(O)cc1O	1951864922	ZQLAXPJDJVYOIT-GOSISDBHSA-N	361.350	2.420	10	10	FECE	
CN1CCO[C@@H]2CN(Cc3cc(Cl)cc(Br)c3O)C[C@@H]21	2154048398	GHXDUCGGCGFRFG-QWHCGFSZSA-N	361.667	2.323	10	10	FECE	
C[C@H]1CCN(c2cc3c(cc2N)NC(=O)CC3)C[C@@H]1NC(=O)C(F)(F)F	2163117804	FCWBMXKLVJHUQK-ZANVPECISA-N	370.375	2.047	10	10	FECE	
O=S(=O)(CCC(F)(F)CO)Nc1cc(Cl)c(O)c(Cl)c1	2178721923	FOJFPIGRFNYTGL-UHFFFAOYSA-N	350.170	2.458	10	10	FECE	
CCN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)Cc1ccc(N)cc1	2044640327	NGUQMXADVSNNOB-UHFFFAOYSA-N	369.487	2.040	10	10	FECE	
Cc1cccc(O)c1CN[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO	2052717416	RGTOIGWXGYAALG-GOEBONIOSA-N	350.459	2.408	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N[C@H](C)c1ccc(O)cc1O	2058681593	XOQUCCDDLJDPRR-DJSGYFEHSA-N	352.431	2.383	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H](O)C(C)(C)NC(=O)OC(C)(C)C	2060496145	SJCHPUFWSBYDHJ-CQSZACIVSA-N	352.431	2.015	10	10	FECE	
CC(C)(C)OC(=O)NCCOCCC(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2060634815	DPZDAAGHMZSORN-ZDUSSCGKSA-N	355.439	2.467	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](CC(=O)NCCCN=[N+]=[N-])OCC12CC2	2065370637	GZCVVSFXVICCHK-LBPRGKRZSA-N	353.423	2.362	10	10	FECE	
CCCN(CCNC(=O)OC(C)(C)C)C[C@@H](O)COc1ccc(N)cc1	2106747387	JCCACELSBNNUBZ-MRXNPFEDSA-N	367.490	2.245	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1	2106853102	MWCPDFAILJMMBY-XLIONFOSSA-N	361.486	2.311	10	10	FECE	
COC(=O)[C@@H](CCNCc1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C	2088543840	VOEVMAMFTKWJGJ-MRXNPFEDSA-N	365.474	2.299	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H](Nc1c(N)cccc1C(N)=O)C2	2108837836	NHFGMQDHBWOANI-SLEUVZQESA-N	360.458	2.425	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H](O)CN1C(=O)OC(C)(C)C	2264614725	UQIHSYHZDITBET-HUUCEWRRSA-N	364.442	2.111	10	10	FECE	
CSc1ncc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cn1	2297345590	KGPYBXICJRCAHH-UHFFFAOYSA-N	354.391	2.173	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccnn1C	2315987494	USQYEGLLJGESTN-LBPRGKRZSA-N	351.411	2.145	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@]2(C(=O)N3CC[C@@H](CN=[N+]=[N-])C3)CO[C@H]1C2	2334183640	LIBDRZBDSNDHMJ-NEULZYRMSA-N	365.434	2.218	10	10	FECE	
CN(C[C@@](C)(NCc1ccc2c(c1)CCO2)C(=O)O)C(=O)OC(C)(C)C	2351450974	QPCGHIBBFXIEJD-LJQANCHMSA-N	364.442	2.421	10	10	FECE	
CN(CCc1ccc(F)cc1)C(=O)c1cc(NS(C)(=O)=O)ccc1O	55372839	DTUSWUBIPJECFH-UHFFFAOYSA-N	366.414	2.218	10	10	FECE	
C[C@@H]1CC[C@@H](C)N1CCN1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1	154529554	ZTOGSUMDTHAIHE-HZPDHXFCSA-N	362.474	2.291	10	10	FECE	
CNC(=O)Cn1cc(NC(=O)CSc2ncc(C(C)(C)C)s2)cn1	164100144	UTGXPTDVKMSFSP-UHFFFAOYSA-N	367.500	2.114	10	10	FECE	
Cc1ccc(-n2c(C)cc(/C=C\C(=O)N[C@H]3CCC(=O)NC3=O)c2C)cc1	255107805	OYYZMUKSKAMIPU-TWVNLXSWSA-N	365.433	2.337	10	10	FECE	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H](O)c2ccccn2)cc1	279149487	FCAJFOUWKVOTDT-ICSRJNTNSA-N	369.465	2.389	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N2CCO[C@H](c3cccs3)C2)cc1	283395402	HKKHJASXGJSUGG-INIZCTEOSA-N	373.478	2.030	10	10	FECE	
CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@@]2(CCOC2)O1	365413961	YLUUMKVSTRSDMH-DNVCBOLYSA-N	365.449	2.371	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)NCc3ccccc3O)cn2)C[C@H](C)O1	748461554	ZUODYEOHGCBEDH-GJZGRUSLSA-N	370.453	2.400	10	10	FECE	
CCOC(=O)[C@H]1NC(=O)N(CCc2cc(C)n(-c3ccccc3)c2C)C1=O	760972348	TZSWIXVQUSASEA-KRWDZBQOSA-N	369.421	2.120	10	10	FECE	
O=S1(=O)CCN(Cc2ccc(N3CCOCC3)cc2)[C@@H]2CCCC[C@H]21	769415366	YZGBXQXEYMKNKH-RTBURBONSA-N	364.511	2.065	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(C(=O)N2CCCCC2)CC1	779472943	AGSKCRXDOGDIHV-ALCCZGGFSA-N	358.438	2.362	10	10	FECE	
Cc1ccc(F)c(NC(=S)NCc2ncccc2S(C)(=O)=O)c1	782426966	FHIHEDNFGDBHLX-UHFFFAOYSA-N	353.444	2.419	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@H](OC(F)F)C1	802021452	UMZWJWOCGFXPPF-HNNXBMFYSA-N	355.385	2.046	10	10	FECE	
Cc1cc(Cl)cc(CN2CCN([C@H]3CCNC(=O)CC3)CC2)c1O	825147641	JOFCGYMBDKXUMS-MRXNPFEDSA-N	351.878	2.140	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)NCc2ccccc2O)N(C(=O)OC(C)(C)C)C1	827288302	UDEVZSAQCJEDMY-ZIAGYGMSSA-N	350.415	2.033	10	10	FECE	
CO[C@H](CS(=O)(=O)NCc1cc(Br)ccc1O)C(C)C	827611880	GXHHXBFMBVAQBI-CYBMUJFWSA-N	366.277	2.245	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NOC(C)(C)CO)C1	836805805	MVHHGMFPEUPIEG-UHFFFAOYSA-N	359.470	2.227	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)cc1	842469859	NLMYLMLYPTWYFK-SZMVWBNQSA-N	359.470	2.087	10	10	FECE	
COC[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)C1CCOCC1	852468907	VJSNOQNPRXSZLA-MRXNPFEDSA-N	353.438	2.133	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCC(N3CC[C@H](O)C3)CC2)cc1	853457934	ZUARYMYIEAWSFS-FQEVSTJZSA-N	374.529	2.273	10	10	FECE	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cccnn1	861332454	BFCFLDDGUCHQBD-UHFFFAOYSA-N	356.426	2.479	10	10	FECE	
CO[C@@H]1CCn2cc(C(=O)NCc3ccc4c(c3)CCCN4C)nc2C1	865055039	XROCGCRKBFRRKB-MRXNPFEDSA-N	354.454	2.157	10	10	FECE	
CN(C)c1ccc(CNCc2ccc(CN3C(=O)CNC3=O)cc2)cc1F	865773065	DSKHMMBFYRWDHM-UHFFFAOYSA-N	370.428	2.233	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)CCOC(C)(C)C)C2)cc1	867496889	JZCNZIKMPOKIPA-CQSZACIVSA-N	356.488	2.008	10	10	FECE	
COC(=O)c1c(CN[C@H]2CCc3n[nH]cc3C2)c2cc(F)ccc2n1C	894285207	RZLLEJYGVFOMIC-ZDUSSCGKSA-N	356.401	2.474	10	10	FECE	
COc1cc(C)cc(CN2CCN(C(=O)c3cc(C)[nH]n3)C[C@H]2C)c1O	894968548	BEQIHTYYWLYCAU-CQSZACIVSA-N	358.442	2.087	10	10	FECE	
COCCOc1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)cn1	1141752480	LUNUTXWXJINGTE-UHFFFAOYSA-N	357.370	2.199	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cccc2[nH]ncc12	1142689638	ANDJSXUBXVVMHJ-UHFFFAOYSA-N	353.378	2.474	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCc2ccc(N3CCNC3=O)cc2)cc1	1175969793	QVAJNLGVMCLXCH-UHFFFAOYSA-N	366.381	2.309	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCC(O)(CN3CCCCC3)CC2)cc1	1180511162	ZEMQNYMDVTZHRZ-UHFFFAOYSA-N	373.457	2.302	10	10	FECE	
COC(=O)c1cc(OCc2cc(=O)n3cc(C)ccc3n2)ccc1N(C)C	1189968615	VLPFXVIVANFAHL-UHFFFAOYSA-N	367.405	2.435	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1c(C)cccc1F	1255148236	IBESRJKGHVRTBD-AWEZNQCLSA-N	361.369	2.450	10	10	FECE	
NC(=O)CSc1ccccc1C(=O)NCc1ccc2cccnc2c1O	1299721909	VJRYQMNDRHAGMA-UHFFFAOYSA-N	367.430	2.448	10	10	FECE	
Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1Cc2cccc(O)c2C1	1302785818	ACFRMFFYDWBIHZ-UHFFFAOYSA-N	360.435	2.107	10	10	FECE	
CS(=O)(=O)NC[C@H]1CCC[C@H]1NCc1ccc(N2CCCC2)cc1	1325185171	PIVUTGYGCQJZBC-SJLPKXTDSA-N	351.516	2.094	10	10	FECE	
O=S(=O)(CCNCc1ccc(N2CCCC2)cc1)CC(F)(F)F	1327256467	ZDMDXQVWYLQLEY-UHFFFAOYSA-N	350.406	2.354	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)[C@@H](OCC)[C@@H]3CCOC3)CC2)cc1	1329379431	RMJDBXFJWOHRKQ-APWZRJJASA-N	362.470	2.176	10	10	FECE	
O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)C(=O)N(Cc1ccco1)Cc1ccccc1O	1332068640	SVASZMSURVUGPS-MUJYYYPQSA-N	354.406	2.429	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2ccc(O)c(O)c2)C1	1445899408	DRGCIIYPOSFFGQ-XEKQOVJPSA-N	362.426	2.407	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)N[C@@]23C[C@@H]2COC3(C)C)N(C)C)cc1	1479535806	YXCFGOMRBHVLIU-SYNHAJSKSA-N	360.502	2.222	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@@H]1CCCN1c1ncnc2ccccc12	1558174160	GLAHTUWFVIZDGR-KRWDZBQOSA-N	364.405	2.326	10	10	FECE	
Cc1ccc(N2C[C@@H](C(=O)NCc3cc(O)ccc3O)CC2=O)cc1C	1593873617	UGSKCVYYBPPDNY-HNNXBMFYSA-N	354.406	2.384	10	10	FECE	
O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N1CCOC1	1627910344	ANNQWCCDUIGFHA-UKTHLTGXSA-N	366.439	2.233	10	10	FECE	
CN1CCCc2cc(CNC(=O)c3cc([C@@H]4CCCN4C)[nH]n3)ccc21	1631322280	GISDMLZTKLSCTD-IBGZPJMESA-N	353.470	2.489	10	10	FECE	
CSCc1n[nH]c(CNC(=O)NCc2c(O)ccc3c2CCCC3)n1	1685331508	XPCCUATTXCVISN-UHFFFAOYSA-N	361.471	2.252	10	10	FECE	
CNc1cc(C(=O)N2CCN(C=O)CC2)c(Nc2ccccc2)c(F)c1N	1858179847	NIIGUETXJUYAPL-UHFFFAOYSA-N	371.416	2.107	10	10	FECE	
CSc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)O)[C@H](C)O)C2=O)cc1	1858592563	SNEZCPNJAFZUSH-PGNPSOMDSA-N	369.489	2.444	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cc3nc4ccccc4[nH]3)CC2)cc1	1873831420	KOUYFBZQHPGKBB-UHFFFAOYSA-N	350.422	2.463	10	10	FECE	
CCN[C@H](c1ccccc1O)[C@@]1(O)CCOC[C@H]1NC(=O)OC(C)(C)C	1922427261	XPZXJBASILLREZ-GPMSIDNRSA-N	366.458	2.088	10	10	FECE	
COc1ccc(O)c(CNC[C@H]2CO[C@@H](CNC(=O)OC(C)(C)C)C2)c1	1967886636	BGATUTNAZQQXEW-XJKSGUPXSA-N	366.458	2.420	10	10	FECE	
O=C(N[C@H]1CCN(C(=O)OCc2ccccc2)C1)c1ccc(O)c(O)c1	1982317583	RNZBBRKREZHWGO-HNNXBMFYSA-N	356.378	2.239	10	10	FECE	
C[C@H](N[C@H]1COCC[C@H]1NC(=O)OC(C)(C)C)c1c(O)cccc1O	2031533582	VNVKQKBWPOXYLX-XQQFMLRXSA-N	352.431	2.431	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CC[C@@](C(=O)C(=O)C[C@H]3C[C@H](N)C3)(C2)C1	2051273578	IVJAFWZQJQOBGS-WFTHSTBKSA-N	350.459	2.289	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060636665	ALQKFMMRGRTBHY-FRRDWIJNSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(CCC(=O)N2CC[C@H](N=[N+]=[N-])C2)CCOC1	2060640902	ADVZLCHVHWTGGS-BLLLJJGKSA-N	353.423	2.362	10	10	FECE	
CN(C(=O)[C@](C)(NC(=O)OC(C)(C)C)C(C)(C)O)c1ccc(N)cc1	2080853057	TUFITLPIXSAREU-SFHVURJKSA-N	351.447	2.286	10	10	FECE	
COc1cccc(O)c1CN[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)OC(C)(C)C	2104431679	HHCFRBXUNWDMJM-QYHDQYMBSA-N	364.442	2.171	10	10	FECE	
CN(C(=O)[C@@H]1CC[C@@H](C(=O)O)N1Cc1ccccc1)c1ccc(N)cc1	2106307024	HNONAORIIGTUIL-ROUUACIJSA-N	353.422	2.349	10	10	FECE	
CCN(CC(=O)N(C)c1ccc(N)cc1)C1CN(C(=O)OC(C)(C)C)C1	2106667133	SYQLGUXTPPYDJG-UHFFFAOYSA-N	362.474	2.173	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)CCOc2ccc(N)cc2)[C@H]2C[C@@H]21	2106703477	QACPXIDNXCWDSB-HOTGVXAUSA-N	361.442	2.258	10	10	FECE	
COc1cc(N)c(N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1OC	2106837108	VSTSMVXYVUBUPR-JTQLQIEISA-N	361.364	2.181	10	10	FECE	
CN1CCc2cc([C@H](N)[C@@]3(O)CCCN(C(=O)OC(C)(C)C)C3)ccc21	2106849800	AZZNGHZWUPQYAY-FXAWDEMLSA-N	361.486	2.441	10	10	FECE	
CCCOc1cc(N2CCN(C(=O)OC(C)(C)C)C[C@@H](O)C2)ccc1N	2106874842	WMYBUBXNSUCYIY-HNNXBMFYSA-N	365.474	2.476	10	10	FECE	
CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CCC[C@H]2CN=[N+]=[N-])CC1	2124536591	SAJVLWRYEOWBHS-AWEZNQCLSA-N	366.466	2.277	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2124539869	ABOUVMKCAWVSBI-IIYDPXPESA-N	365.434	2.171	10	10	FECE	
COc1cc(N(Cc2ccccc2)CC2(O)CNC2)cc(OC)c1OC	2125493094	IGCABNUVSCAUAF-UHFFFAOYSA-N	358.438	2.053	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)OCC12CC2	2127546096	WWHISYQNIUJRNH-CHWSQXEVSA-N	365.434	2.456	10	10	FECE	
COc1cc(N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)ccc1CO	2139690381	YREPOIYOZLYVDU-NRFANRHFSA-N	356.466	2.261	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1CN(C(=O)c1ccc(O)c(O)c1)C2	2226533200	XFWVFFJLKFLNEC-KWCYVHTRSA-N	362.426	2.473	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)NCCCCN=[N+]=[N-])[C@@H](O)C(F)(F)F	2254150382	KTJAAMVQWWIFRC-RKDXNWHRSA-N	369.344	2.010	10	10	FECE	
Nc1cc2c(cc1N1CCC[C@H](NC(=O)C(F)(F)F)CC1)CCC(=O)N2	2286105575	QMJPKDKAOVAMFK-NSHDSACASA-N	370.375	2.191	10	10	FECE	
Cc1cc(C=CC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c(C)n1-c1ccccc1	2299172373	FTWCOYVVXMEDFU-MOPGFXCFSA-N	367.449	2.256	10	10	FECE	
O=C(C=Cc1cncc(O)c1)NCc1ccc(N2CCOCC2)c(F)c1	2308021980	KSAFBYYWFUHADF-UHFFFAOYSA-N	357.385	2.093	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C(=O)O)[C@@H]1c1cc(O)c(O)c(O)c1	2308895713	BKSFEQHYOHTPEF-SIXIKZCJSA-N	351.355	2.186	10	10	FECE	
COc1ccc(CC(=O)N2CCN(c3ccc4c(c3)CC(=O)N4)CC2)cc1	62093581	DTCQIXSSYOYLEH-UHFFFAOYSA-N	365.433	2.081	10	10	FECE	
Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cccc(C(=O)O)c3)C2=O)cc1	103254338	HKWBSNIFOIASSE-XNTDXEJSSA-N	365.345	2.272	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)CN3C[C@@H](C)O[C@@H](C(N)=O)C3)c2C)c1	122231308	VYVZZEGWIAMTAK-FOIQADDNSA-N	369.465	2.160	10	10	FECE	
C[C@H](O)CNc1ccc(NC[C@@H](C)O)c2c1C(=O)c1ccccc1C2=O	147293189	UHETYMRNMJBOCJ-TXEJJXNPSA-N	354.406	2.047	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N2C[C@H](C)C(=O)Nc3ccccc32)c1	173091249	ICDBXLDHZHCSCS-GWJCSSMESA-N	364.405	2.076	10	10	FECE	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O	188328833	YBBIZLZAZYARGU-QGZVFWFLSA-N	371.412	2.474	10	10	FECE	
COc1ccc(N2CCN(C(=O)NC[C@@H]3CCCO3)CC2)cc1Cl	242991748	HUJMYSDUPFNGSL-AWEZNQCLSA-N	353.850	2.359	10	10	FECE	
CC(=O)N(C(=S)NCCNC(=O)OC(C)(C)C)c1ccc(N)cc1	243853016	RGFMJYLRFOZVSC-UHFFFAOYSA-N	352.460	2.021	10	10	FECE	
O=C1NC(=O)[C@@H]2[C@@H]1ON(Cc1ccccc1)[C@@H]2c1cc(Cl)ccc1O	253616040	WXHIDBWCCWACDE-XHSDSOJGSA-N	358.781	2.175	10	10	FECE	
COC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(O)cc2C)s1	276175015	DISNLDUMQMNFPM-UHFFFAOYSA-N	370.452	2.461	10	10	FECE	
COc1cc(N2CCN(C[C@@H](O)C(C)(C)C)CC2)cc(OC)c1OC	289987274	QZSMRSNOPLXOHC-QGZVFWFLSA-N	352.475	2.241	10	10	FECE	
COCCC1(C)CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	291241150	LGPHKLXOZVKBNO-UHFFFAOYSA-N	365.449	2.230	10	10	FECE	
CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H]1NCc1ccc(O)c(O)c1	302118994	SVZLOJCKUHDFLH-DAXOMENPSA-N	352.431	2.258	10	10	FECE	
CN1CC(=O)N(C[C@H]2CCN(c3ccc(OC(F)(F)F)cc3)C2)C1=O	360013066	FACLTICCHJWERD-NSHDSACASA-N	357.332	2.306	10	10	FECE	
C[C@@H](NC[C@]1(CO)COCC2(CCC2)N1C)c1cc(Cl)ccc1O	527957078	RSLSQSJXQFIKNJ-ACJLOTCBSA-N	354.878	2.312	10	10	FECE	
CN(CCOc1ccc(N)cc1)C[C@]1(O)CCN(Cc2ccccc2)C1	711789366	WUGUZEZWWPNDBZ-OAQYLSRUSA-N	355.482	2.216	10	10	FECE	
Cc1cc(CCNC(=O)NCC2(O)CCOCC2)c(C)n1-c1ccccc1	729045690	WKTPBWWRGLJNCK-UHFFFAOYSA-N	371.481	2.477	10	10	FECE	
Cn1cnc([N+](=O)[O-])c1NCc1ccc(N2CCN(CC3CC3)CC2)cc1	768528796	YQCCGMSANOSXRH-UHFFFAOYSA-N	370.457	2.472	10	10	FECE	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NCCc3nnnn3C)c2C)c1	772875559	FOYLZRNSKQRKTL-UHFFFAOYSA-N	352.442	2.207	10	10	FECE	
COC(=O)N1CCC[C@H]([C@@H](C)NCc2cc(OC)c(OC)cc2O)C1	775998619	GZIGKLJQFNCUKG-OLZOCXBDSA-N	352.431	2.366	10	10	FECE	
CC[C@@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(=O)O	780599525	MGMFAQSYYAKDCT-BXUZGUMPSA-N	371.384	2.419	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnn(C)c1C1CC1	784027761	LCCVKCNKNZPKAU-UHFFFAOYSA-N	356.426	2.380	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cnn(CC(F)(F)F)c1	786816006	ABQJPOQPROYRAD-UHFFFAOYSA-N	368.359	2.212	10	10	FECE	
Cc1cc(Cl)cc(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1O	802659013	VOXIZSPWNZCQLV-UHFFFAOYSA-N	358.891	2.354	10	10	FECE	
COCCOC[C@@H](C)NC(=O)NCc1cc(Br)ccc1O	805189008	MGBRBVOCOPTZMJ-SNVBAGLBSA-N	361.236	2.005	10	10	FECE	
CCN1CCN(c2ccc(CN[C@@H]3CCC(=O)NC3(C)C)cc2F)CC1	813861531	VIASPYNEYRADFB-GOSISDBHSA-N	362.493	2.114	10	10	FECE	
COC(=O)c1cc(C(=O)NCc2cc(Br)ccc2O)c[nH]1	816653776	HFSWNEDMVJMEQX-UHFFFAOYSA-N	353.172	2.199	10	10	FECE	
C[C@@H](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCO1	822687882	HKNVSAXCBAYECT-KBXCAEBGSA-N	350.434	2.484	10	10	FECE	
COc1ncc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1Cl	826922998	KDGIRUFIFQYTLU-UHFFFAOYSA-N	355.847	2.288	10	10	FECE	
Cc1cc(C(=O)CN2C[C@H](C(N)=O)CC[C@@H]2C)c(C)n1-c1ccc(F)cn1	827680337	QATCETQLUJNMQP-SWLSCSKDSA-N	372.444	2.397	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3C[C@@H]4COC[C@@H]4O3)ccc21	831296108	NYRZBWJLABGUPV-UWVAXJGDSA-N	372.465	2.438	10	10	FECE	
CC(C)(C)c1cc(COC(=O)c2cc(NS(C)(=O)=O)ccc2O)no1	837466992	YFYPMZJPQHJZGI-UHFFFAOYSA-N	368.411	2.406	10	10	FECE	
CN(Cc1cc[nH]n1)C(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	839213137	UTODHZZTCVVNFY-UHFFFAOYSA-N	370.453	2.435	10	10	FECE	
COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1	839580620	SBRVEKUPWWIPOY-BHYGNILZSA-N	360.454	2.290	10	10	FECE	
Nc1ccc(CCNC(=O)NC2CCN(C(=O)c3ccccc3)CC2)cc1	841667941	MPXHQHPJOJAYQH-UHFFFAOYSA-N	366.465	2.415	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CNCCC2(F)F)cc1F	841798709	MCSRDCUTQVJLIT-OAHLLOKOSA-N	358.408	2.468	10	10	FECE	
COc1ccc(N(C)CCN(C)S(=O)(=O)CCC[C@@H]2CCOC2)cc1	845987724	MKGMSHDUITVYJR-MRXNPFEDSA-N	370.515	2.210	10	10	FECE	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CO[C@H](C2CC2)C1	863532773	SBWSHTCYTARLRI-ZFWWWQNUSA-N	350.802	2.377	10	10	FECE	
CC(C)C[C@@]1(C(=O)NCc2cccc(Br)c2O)CCNC1=O	867830900	LAAFAGBWYWFKAX-INIZCTEOSA-N	369.259	2.323	10	10	FECE	
CC[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCCOC1	872036057	RSEXSTIAYHGYBP-IEBWSBKVSA-N	366.527	2.216	10	10	FECE	
OC1CCN(c2ccc(CNC[C@@H](O)Cc3ccccc3F)cc2)CC1	886236337	DYJFJVLQWXLIOH-FQEVSTJZSA-N	358.457	2.480	10	10	FECE	
CN(Cc1ccns1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1	897485436	GKUVCMONGLISTD-UHFFFAOYSA-N	358.467	2.018	10	10	FECE	
C[C@H](N[C@H]1CNOC1)c1cc(Br)cc(Br)c1O	925869337	JSFAZAIMDCLKOQ-XPUUQOCRSA-N	366.053	2.471	10	10	FECE	
C[C@H](NC(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)O)c1ccc(N(C)C)cc1	929046985	XECJMQMIPWORNS-GRDNDAEWSA-N	363.458	2.383	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCCN(C(=O)c2ccccc2)C1	1142834666	BJZOYYTYUHJGCP-INIZCTEOSA-N	354.406	2.061	10	10	FECE	
COC(=O)Cc1c(C(=O)NCc2cc(O)ccc2O)[nH]c2ccccc12	1176754337	BDIJDDXPEFHJKD-UHFFFAOYSA-N	354.362	2.225	10	10	FECE	
CS(=O)(=O)c1ccccc1CNC(=O)NCc1cccc(Cl)c1O	1230123348	HYGIOGYXBISVOD-UHFFFAOYSA-N	368.842	2.449	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2	1325679630	LXJYDFMQVHCZSD-XYJFISCASA-N	373.522	2.161	10	10	FECE	
CO[C@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1	1326499409	RAHGMMCQCQTPOB-HKUYNNGSSA-N	373.497	2.223	10	10	FECE	
CC(C)n1ncc2cc(/C=C/C(=O)NCc3c(O)cccc3F)c(=O)[nH]c21	1456083067	COJCGZQPZFYSBH-VOTSOKGWSA-N	370.384	2.480	10	10	FECE	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H]2C[C@H]2C(N)=O)cc1	1465006453	OKAPOPGWCTYDGK-MOPGFXCFSA-N	367.449	2.416	10	10	FECE	
N=c1nn[nH]n1-c1cccc(C(=O)Nc2cccc(N3CCCCC3)c2)c1	1583412371	DECZXWMHKUXZBW-UHFFFAOYSA-N	363.425	2.317	10	10	FECE	
Nc1cccnc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	1631425761	NWKDRNHANHDBHG-CQSZACIVSA-N	360.845	2.417	10	10	FECE	
CCC[C@H](O)[C@H](CO)NC(=O)NCCc1cc(C)n(-c2ccccc2)c1C	1637410727	RQRWQSODLNLNQI-PMACEKPBSA-N	373.497	2.458	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(Cc2cccnc2)n1CC(C)(C)O	1729420216	JWARVEPCTXBMQM-UHFFFAOYSA-N	367.453	2.377	10	10	FECE	
CN(C)CCOCCn1c(C2CCC2)nnc1N(C)Cc1ccccc1O	1768520124	HABQPJWDRQBLLS-UHFFFAOYSA-N	373.501	2.466	10	10	FECE	
C[C@H](NC(=O)[C@H]1C[C@@H](O)CN(C(=O)OC(C)(C)C)C1)c1ccccc1O	1877573903	QEMGEXRHFRJLJL-MELADBBJSA-N	364.442	2.187	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](CO)C1	1879536379	FAKSFDZFFHRJQA-XVDXERDNSA-N	364.442	2.016	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(Cc2cc(F)ccc2O)C1	1962852629	NQYIJWHJEIOPJI-KRWDZBQOSA-N	354.378	2.085	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@H](Cc1cncs1)NC(=O)OC(C)(C)C	2010388938	JBNXPKMTOAKCKS-NSHDSACASA-N	354.436	2.348	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@H]2[C@H]1[C@@H]2NCc1ccc(O)c(O)c1O	2033595132	DTONFXZVNBQJNZ-BNOWGMLFSA-N	350.415	2.291	10	10	FECE	
CN(CC[S@@](C)(=O)=NC(=O)c1cccc(O)c1O)C(=O)OC(C)(C)C	2054417601	NMSCUSZYAUUXSV-RUZDIDTESA-N	372.443	2.203	10	10	FECE	
Cc1c(I)nc[nH]c1=NCCc1ccc(N)cc1	2057388304	CKESVAHFFJMRFK-UHFFFAOYSA-N	354.195	2.048	10	10	FECE	
C[C@@H]1COC[C@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)N1C(=O)OC(C)(C)C	2060618873	FLXVSNKPHWTVQZ-JHJVBQTASA-N	353.423	2.312	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@@H]1C[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1	2079199927	JLBWSFNENMPOEF-XQQFMLRXSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC12CC(NC(=O)COc1ccc(N)cc1)C2	2106257593	LTSDQNRKXQFKJW-SHBDPFAUSA-N	361.442	2.210	10	10	FECE	
Cc1ccc(O)c([C@H](C)N=c2nc(CCNC(=O)OC(C)(C)C)[nH][nH]2)c1	2126784242	SXOWGKKHFOWTEY-LBPRGKRZSA-N	361.446	2.481	10	10	FECE	
CN[C@H](C)c1ccc(N2CC(CS(C)(=O)=O)C2)cc1Br	2159436093	XIBGHKDFOLOCKD-SNVBAGLBSA-N	361.305	2.210	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N(C)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12	2163019074	BAEQNXNLEMPFBT-DAXOMENPSA-N	374.485	2.393	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(C)OC[C@H]1CC(=O)N1CC(N=[N+]=[N-])C1	2217942388	KSXXSIZNGIZXKZ-GFCCVEGCSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])CO1	2218737054	DOKHNVPSMTZDND-WUHRBBMRSA-N	353.423	2.264	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@]12C[C@](NC(=O)OC(C)(C)C)(CO1)C2	2265975607	GLWPLQKZEAAMKF-WGSAOQKQSA-N	362.426	2.177	10	10	FECE	
CCN1CCN(C(=O)C=Cc2cncc(C(=O)NC)c2)c2ccccc21	2297523781	XYEXMMMXVJZYMZ-UHFFFAOYSA-N	350.422	2.328	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(NCc3ccc(F)cc3O)CO[C@H]1C2	2312836093	LVRZPDJWOJDQNS-QIIPPGSGSA-N	352.406	2.446	10	10	FECE	
COc1ccc(N2CCN(CCn3cnc4ccccc4c3=O)CC2)cc1	172241978	BABXKWRIERELBX-UHFFFAOYSA-N	364.449	2.227	10	10	FECE	
Cc1ccc(NC(=O)CCNC(=O)NCc2ccc(N(C)C)c(F)c2)nc1	102010499	FHFGEFVEZHSGRP-UHFFFAOYSA-N	373.432	2.423	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N[C@@H]3CCC(=O)N(C)C3)cc2)CC1	126165659	ZEUKHGMSAOBBLJ-QGZVFWFLSA-N	358.486	2.343	10	10	FECE	
Cc1cc(C(=O)N2CCC[C@@H]2CN2CCOCC2)c(C)n1-c1ccccn1	80908470	AWXJMAMEBBUTBS-GOSISDBHSA-N	368.481	2.426	10	10	FECE	
Cc1ccc(C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)c(O)c1O	190595310	PDLALLVZXRMNKO-MRXNPFEDSA-N	355.438	2.395	10	10	FECE	
Cc1ccc(CN(C)S(=O)(=O)c2ncc[nH]2)c(O)c1Br	2380721689	MDLUXOLZJCLDPA-UHFFFAOYSA-N	360.233	2.007	10	10	FECE	
C[C@@H](NC(=O)N1CCO[C@@H](C(F)F)C1)c1ccc(N2CCOCC2)cc1	801001671	NRCKMPMXKNPBDN-CZUORRHYSA-N	369.412	2.260	10	10	FECE	
COc1ccc(O)c(CNC(=O)NC/C=C\CNC(=O)OC(C)(C)C)c1	812044204	WMJUTRHDMITXGZ-WAYWQWQTSA-N	365.430	2.281	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)c1ccc(CN2CCOCC2)o1	911261179	BSOTZQXGQRUZPX-UHFFFAOYSA-N	367.405	2.296	10	10	FECE	
COC[C@@H]1C[C@@H](O)CN1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	844963799	ORBOAODEZVTGEN-RBUKOAKNSA-N	361.486	2.214	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCC[C@H](N(C)C)C3)C2)cc1	852223796	SCCYMRDACQQFFO-BQFCYCMXSA-N	360.502	2.446	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cccc(O)c2O)CC[C@H]1F	856329613	AKFCSMKXQDKBDR-VXGBXAGGSA-N	354.378	2.175	10	10	FECE	
C[C@@H](N[C@@H](CO)c1ccnn1C)c1cc(Br)c(F)cc1O	858434803	PZVDPIIYRDDCCR-PELKAZGASA-N	358.211	2.412	10	10	FECE	
CCOc1ccc(O)c(CN2CCN(c3ccc(F)cc3C(N)=O)CC2)c1	857067532	NMTCBUXSSYFQQI-UHFFFAOYSA-N	373.428	2.351	10	10	FECE	
CC(=O)N1CCO[C@H](C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1	930912670	BVZQGBDSICJYFZ-FQEVSTJZSA-N	373.497	2.319	10	10	FECE	
CC(=O)N1c2ccc(S(=O)(=O)N3Cc4cccc(O)c4C3)cc2C[C@H]1C	867689998	QGEKDEYHXHKRDJ-GFCCVEGCSA-N	372.446	2.394	10	10	FECE	
CCOC(=O)N1CCC[C@@H](C(=O)NCc2ccc3cccnc3c2O)C1	862028596	DYVSZSCUDIHOPS-OAHLLOKOSA-N	357.410	2.425	10	10	FECE	
COCCN1CC[C@@H](N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1	784547113	ZUUDRENVEOEFLU-QZTJIDSGSA-N	367.921	2.320	10	10	FECE	
CC(C)(CNC(=O)c1cc2cc(O)c(O)cc2s1)N1CCOCC1	895414885	PVLPABTXPGGPHZ-UHFFFAOYSA-N	350.440	2.153	10	10	FECE	
COc1cc(C)cc(CN2CCc3nnc(-c4cnn(C)c4)cc3C2)c1O	895373404	JLLGVVDQHXLWPY-UHFFFAOYSA-N	365.437	2.458	10	10	FECE	
COC(=O)[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(O)c1	792180767	NYEMQAKSNMNTRS-LJQANCHMSA-N	374.412	2.372	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)Nc2nc(C(F)(F)F)cs2)cc1	792950654	ZFGPNHFOVOINTO-UHFFFAOYSA-N	372.372	2.483	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3nc(C)n4cnccc34)CC2)cc1	1084179697	OTTGJECPMIUYOV-UHFFFAOYSA-N	351.410	2.009	10	10	FECE	
Cc1cc(F)ccc1-n1cc(O)c(C(=O)NCc2c(O)cccc2O)n1	1156881153	RMUPQQXVKGEGRV-UHFFFAOYSA-N	357.341	2.367	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2c(O)cccc2O)C1	1304053940	WWYDPQSZAHGMAK-DJJJIMSYSA-N	362.426	2.361	10	10	FECE	
CN1CCC2(CC1)CN(C(=O)NCc1ccc(N3CC=CC3)cc1)CCO2	1332090824	RPVYFKOYSCDWRN-UHFFFAOYSA-N	370.497	2.069	10	10	FECE	
CN(C)c1ccc(CNC(=O)[C@H]2OCC[C@H]2NC(=O)OC(C)(C)C)cc1	1353503554	KOLITRXVIDYBKL-CVEARBPZSA-N	363.458	2.051	10	10	FECE	
CSc1ncc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cn1	1182573	UGKVBYBYYXUFEW-LFYBBSHMSA-N	358.354	2.004	10	10	FECE	
CC(C)[C@@H](C(=O)NCc1c(O)cccc1O)N1Cc2ccccc2C1=O	1558535273	DTQHQVCJUZKHAC-SFHVURJKSA-N	354.406	2.395	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21	1569094230	ZIQUXZYRUYTCJB-ZUZCIYMTSA-N	367.448	2.104	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(F)CCCCC1	1638030869	RRWSGWWSCFEDBL-ZDUSSCGKSA-N	353.390	2.361	10	10	FECE	
O=C1C[C@](C(=O)NCc2ccc3cccnc3c2O)(c2ccccc2)CN1	1638573449	YCEVIFQIQSDMQS-OAQYLSRUSA-N	361.401	2.015	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)[C@@H]3CCCN3C3CCCC3)cc2)CC1	1644526840	ZSGUOURDXRKUNG-NRFANRHFSA-N	370.541	2.462	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]1(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CCCOC1	2124510579	YFQJMRADZRNBGQ-GUYCJALGSA-N	367.450	2.467	10	10	FECE	
C[C@H]1CCCc2ncc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)n21	1598277635	UONUVGASYXIIEK-INIZCTEOSA-N	367.497	2.462	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H]3CS[C@@H](C)C3)CC2)c(OC)c1	1673624069	DNNIGWCWWGCOPI-UONOGXRCSA-N	365.499	2.429	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(C(N)=O)nc2)cc1F	163921649	PXCLYWWEDGOXSO-UHFFFAOYSA-N	359.405	2.488	10	10	FECE	
CCN(CC)CCNC(=O)c1ccc(NN=NC[C@H](C)NC(C)=O)cc1	1860488765	JNQRGYYOVCXQMO-AWEZNQCLSA-N	362.478	2.062	10	10	FECE	
CN(C)Cc1cc([C@]2(C(=O)O)C[C@H]2NC(=O)OC(C)(C)C)ccc1O	1952905959	HYOKBUUBNRHGKF-RDTXWAMCSA-N	350.415	2.073	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NCc1cc(F)cc(F)c1O	2031532227	JDPUBIZKPHAFIT-KGLIPLIRSA-N	358.385	2.442	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NCc1ccc(F)c(F)c1O	700733670	WOBCVRFCBWNDCL-DVUFPGTOSA-N	370.396	2.441	10	10	FECE	
Nc1ccc(CCN2CCO[C@]3(CCCN(C(=O)C(F)(F)F)C3)C2)cc1	2163045408	PCXVSFMJHCCMOT-QGZVFWFLSA-N	371.403	2.067	10	10	FECE	
Nc1ccc(CC(=O)NC[C@]23CN(Cc4ccccc4)C[C@H]2CCO3)cc1	2175196723	DLYSBECFHBCAQR-KNQAVFIVSA-N	365.477	2.219	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(COCC(=O)N2CC(N=[N+]=[N-])C2)CC1	2060640450	VGRQBUPGQRSYID-UHFFFAOYSA-N	353.423	2.171	10	10	FECE	
COC[C@]1(C)C[C@@H](NC(=O)OC(C)(C)C)CN1Cc1cc(N)ccc1O	2338819643	OINCTWCJDDZEIQ-BEFAXECRSA-N	365.474	2.479	10	10	FECE	
COc1cccc(CNC(=O)C2CCN(C(=O)c3ccoc3)CC2)c1O	105651781	JXVPEHHUECVMNT-UHFFFAOYSA-N	358.394	2.162	10	10	FECE	
COC(=O)c1coc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1	184136742	GCMIQWVDTXFRCV-UHFFFAOYSA-N	358.394	2.427	10	10	FECE	
Cc1cc(C(=O)NS(=O)(=O)Cc2ccon2)c(C)n1-c1ccccc1	177695863	OFPHHXPHPVLZSG-UHFFFAOYSA-N	359.407	2.342	10	10	FECE	
CC(C)CC(=O)N[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C(C)C	185388085	WWCMOPRFBXAPQN-UGSOOPFHSA-N	350.459	2.332	10	10	FECE	
COc1ccc(N2CCC(NS(=O)(=O)CCC(C)(C)OC)CC2)cc1	195366196	OADAWLIIHUFPBT-UHFFFAOYSA-N	370.515	2.399	10	10	FECE	
O=C1NCCN(Cc2ccc(N3CCOCC3)cc2)[C@@H]1c1ccccc1	92675418	RTSLDBGFKMXZSV-HXUWFJFHSA-N	351.450	2.196	10	10	FECE	
COc1ccc(O)c(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)c1	364573219	BHDOGFMGAJEBLO-INIZCTEOSA-N	370.405	2.027	10	10	FECE	
O[C@H]1[C@@H](CNCc2ccc(N3CCOCC3)cc2)CCC12CCOCC2	374685516	DVBBPOQPVPAZKL-QUCCMNQESA-N	360.498	2.181	10	10	FECE	
COc1ccc(N2CCC(NS(=O)(=O)C[C@@H](OC)C3CC3)CC2)cc1	827091474	XSGVWKWCZNQTIV-GOSISDBHSA-N	368.499	2.008	10	10	FECE	
Cc1cc(CC(=O)N[C@@H](CO)c2cnn(C)c2)c(C)n1-c1ccccc1	831300988	YONQVFRRHIBBOF-IBGZPJMESA-N	352.438	2.220	10	10	FECE	
CNC(=O)[C@H](CNC(=O)Nc1ccc(N)cc1)Cc1ccc(OC)c(F)c1	843043206	KEKAEFLQKIFXKH-ZDUSSCGKSA-N	374.416	2.143	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCCN3CCCC[C@@H]3C)C2)cc1	849225432	URUDXSHVKZBCOY-DLBZAZTESA-N	360.502	2.448	10	10	FECE	
COc1cccc([C@@H](C)Nc2ccc3c(c2)CN(CC(N)=O)CC3)c1O	846169064	XSXPYZARUIYUIE-CYBMUJFWSA-N	355.438	2.417	10	10	FECE	
CN1CC[C@@H](NC(=O)C(=O)Nc2ccc(N)cc2)[C@@H]1c1ccc(F)c(F)c1	841077020	WSNGSFWWFWNQRC-SJORKVTESA-N	374.391	2.047	10	10	FECE	
COC(=O)[C@@H]1CC[C@H](C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)O1	858206415	LQORSOBOGKJCLD-MOPGFXCFSA-N	370.449	2.473	10	10	FECE	
Cc1cc(CCNC(=O)N2C[C@H]3C(=O)OC[C@H]3C2)c(C)n1-c1ccccc1	859042869	XQMPUWPAGWOREJ-IEBWSBKVSA-N	367.449	2.451	10	10	FECE	
COCCOCCN(CCO)C(=O)c1ccc(-n2c(C)ccc2C)cc1	862681338	KFJIPNDBZCUSNH-UHFFFAOYSA-N	360.454	2.192	10	10	FECE	
C[C@H](NC(=O)C(=O)Nc1ccc2nccn2c1)c1ccc(N(C)C)cc1	773850213	XFVICCXNNRZPCG-ZDUSSCGKSA-N	351.410	2.216	10	10	FECE	
COC(=O)c1ncoc1CCC(=O)Nc1c(Cl)ccc2nonc12	1128603294	FYUWQJGUTQEIHE-UHFFFAOYSA-N	350.718	2.222	10	10	FECE	
C[C@H](NC(=O)C(=O)NCC[C@@H]1CC(C)(C)CO1)c1ccc(N(C)C)cc1	897865689	MAJGIBMIHTWHIV-WMLDXEAASA-N	361.486	2.251	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C[C@@H](O)C1(C)C	1879106971	NBYWCUCMPWOETP-QFSBIZTOSA-N	367.450	2.342	10	10	FECE	
C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N(C)CCCO	799365143	RLUHOEDEIZYNKS-ZDUSSCGKSA-N	366.417	2.103	10	10	FECE	
CCOc1ccc(CNCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c(O)c1	1320071595	QBAMUIJMMKZXBL-HXUWFJFHSA-N	369.421	2.135	10	10	FECE	
CC(C)(C)[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CCO1	1349790405	OCEHCFPRPZVKGR-OAHLLOKOSA-N	370.471	2.041	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)cc1	1352214722	DQXPJPZVMAXFCE-UHFFFAOYSA-N	366.381	2.172	10	10	FECE	
Cc1cc(CC(=O)N2CC(O)(c3nccn3C)C2)c(C)n1-c1ccccc1	1350266883	MTORPWQJJZZRES-UHFFFAOYSA-N	364.449	2.100	10	10	FECE	
Cc1ncccc1/C=C/C(=O)N(C)c1ccc(S(=O)(=O)N(C)C)cc1	1524841114	VDOYZVMMJPMDSN-KPKJPENVSA-N	359.451	2.317	10	10	FECE	
O=C(NCCNc1ccc(C(F)(F)F)cn1)c1c(F)ccc(O)c1O	1610123046	NDDFAMWPHFNBDK-UHFFFAOYSA-N	359.279	2.493	10	10	FECE	
CN(CC(=O)Nc1c(-c2ccccn2)nc2ccccn12)[C@@H]1CCC[C@H]1O	1625656614	CQPSBYQELWDILU-HZPDHXFCSA-N	365.437	2.180	10	10	FECE	
CCCCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(N=NC(N)=O)cc1	1629043001	OLJYMEWLFNMNGX-ZDUSSCGKSA-N	363.443	2.280	10	10	FECE	
CCOC(=O)[C@]1(C)CN(Cc2cc(Cl)cc(C(C)=O)c2O)CCO1	1648086573	CWCQOKNDOUTDIN-KRWDZBQOSA-N	355.818	2.402	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CCC[C@H](N=[N+]=[N-])C3)[C@@H]2C1	2124534642	IXMUZEPKDDXUHU-XUXIUFHCSA-N	365.434	2.170	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C1	2124532038	IFZMFJRFVBYVTG-CXAGYDPISA-N	367.450	2.440	10	10	FECE	
CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N3CC[C@@H](N=[N+]=[N-])C3)c2C1	2124505872	QCCQLHMUTSEQPQ-LLVKDONJSA-N	361.406	2.159	10	10	FECE	
Cc1ccc(N2C[C@H](C(=O)NCc3cc(O)ccc3O)CC2=O)cc1C	1593873618	UGSKCVYYBPPDNY-OAHLLOKOSA-N	354.406	2.384	10	10	FECE	
CN1C(=O)C[C@H](C(=O)NCCc2ccc(O)c(O)c2)[C@@H]1c1cccc(F)c1	1860327647	OKDNCAJJEFHASS-KXBFYZLASA-N	372.396	2.115	10	10	FECE	
C[C@H](NCc1cc(Br)ccc1O)C1CCS(=O)(=O)CC1	809713166	KMHORZIYQFZPKQ-JTQLQIEISA-N	362.289	2.458	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)[C@H](CNCc2cc(F)ccc2O)C1	2036980254	UTSXIJOYUAMVOW-OAHLLOKOSA-N	353.438	2.172	10	10	FECE	
Nc1ccc(CCC(=O)NC[C@]2(O)CCCN(Cc3ccccc3)C2)cc1	2157522735	LJTCWZKREZGNFQ-JOCHJYFZSA-N	367.493	2.345	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CN[C@@]12CC[C@@H](C1)[C@H](O)[C@H]2O	2176917856	QWJPKDAYFZSLOV-DRGUQFHNSA-N	362.651	2.172	10	10	FECE	
O=C(N[C@@H]1[C@H]2C[C@H]1N(C(=O)c1cccc(O)c1O)C2)OCc1ccccc1	846429781	QNAZTOPEWRBGSV-YSVLISHTSA-N	368.389	2.237	10	10	FECE	
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)C(=O)C[C@H]3C[C@H](N)C3)C2)C1	2049783019	PXFSNHPGICWYEG-ZKFUKYGUSA-N	350.459	2.289	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NCc2cc(F)ccc2O)C1	2052718029	VGWWBYOSKBFDIN-DOMZBBRYSA-N	354.422	2.239	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	2060369097	NOIIINFMEBDYCH-NHYWBVRUSA-N	350.415	2.012	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@@H]1CN=[N+]=[N-])[C@H]1CCOC1	2060621518	OLFSFOJNOKCKKD-YNEHKIRRSA-N	353.423	2.218	10	10	FECE	
CO[C@H]1C[C@@H](C(=O)N2CCC(N=[N+]=[N-])CC2)N(C(=O)OC(C)(C)C)C1	2060615316	NCQZXRIEEHTZPB-STQMWFEESA-N	353.423	2.312	10	10	FECE	
COc1ccc(O)c(CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2CO)c1	2116268513	VLJJJXPPBQVKSZ-CJNGLKHVSA-N	366.458	2.108	10	10	FECE	
CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)c1ccc2c(c1)OCCCO2	2271687413	GDJOZCXZEYLHND-UHFFFAOYSA-N	364.442	2.266	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CO1	2264798437	IAJFXSSARWIGKN-MJBXVCDLSA-N	367.450	2.465	10	10	FECE	
CC1=NN(c2nn[nH]n2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	2296441567	JICSPTLUWOCIQH-UHFFFAOYSA-N	365.309	2.174	10	10	FECE	
Cc1nc2n(n1)CCC[C@@H]2NC(=O)C=Cc1ccc(N2CCOCC2)cc1	2297820550	XMSXNBJZLADNGZ-SFHVURJKSA-N	367.453	2.088	10	10	FECE	
COc1ccc(N(C)[C@](CF)(CNC(=O)OC(C)(C)C)C(=O)O)cc1	2324321229	BTQWCERLIZWDNE-QGZVFWFLSA-N	356.394	2.449	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3CCC[C@@H](n4cncn4)C3)ccc21	174447787	QFGHZCRHFHGVJX-QGZVFWFLSA-N	354.458	2.207	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C=C[C@H](C(=O)N2CCc3cc(O)c(O)cc3C2)C1	2366906526	RNQMIKVRNACOLI-DZGCQCFKSA-N	374.437	2.452	10	10	FECE	
Nc1ncncc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	192358387	JABNSAXKZDNSDE-NSHDSACASA-N	363.368	2.059	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	246700439	BYINJGLBRKAOTF-IPMKNSEASA-N	373.497	2.478	10	10	FECE	
CC(C)[C@H](O)CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	265866191	MYTQYVWZDSOYOC-QWQRMKEZSA-N	367.465	2.255	10	10	FECE	
CCN1CC[C@@H](NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1=O	801749596	PBIUYXBDHSVVPI-GOSISDBHSA-N	358.486	2.343	10	10	FECE	
COc1ccc(N2CCCN(C(=O)c3cc4c(cn3)OCCO4)CC2)cc1	819143229	XRJBABVIJIRBBV-UHFFFAOYSA-N	369.421	2.214	10	10	FECE	
CO[C@@H]1CCCC[C@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	815073864	CDXHIPPTAUMLPO-BHIYHBOVSA-N	373.497	2.210	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@@H](c2ccccn2)C1	839220325	HIJNNVHESWFGCY-QGZVFWFLSA-N	366.465	2.122	10	10	FECE	
COC(=O)[C@@H]1CSCCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1	839930544	SNPOXUMWIZCTRF-HNNXBMFYSA-N	373.478	2.467	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)N1C(=O)N[C@@H](c2ccnn2C)C1=O	843309351	OROUQJMBBMVHRY-GUYCJALGSA-N	355.442	2.019	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3C[C@H]4[C@H](C3)C4(F)F)C2)cc1	845267601	HKAUYBOUILTLTK-KCXAZCMYSA-N	351.397	2.428	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)c3cccc(C(C)=O)c3)C2)cc1	849415917	HURJSHPGWGXXAB-INIZCTEOSA-N	374.462	2.455	10	10	FECE	
CN(C)[C@H]1C[C@@H](CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1	847408709	YSJIXMHWGHXKEU-BPQIPLTHSA-N	361.486	2.423	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC(=O)NCc1ccco1	840246064	VMEHMZYVFIACLR-OAHLLOKOSA-N	372.469	2.201	10	10	FECE	
N=C(NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)NC1CCCCC1	849070477	OWSXPBQRMBFWAI-INIZCTEOSA-N	357.502	2.335	10	10	FECE	
Cc1cc(O)c(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)c(Cl)c1	840909123	AHZYZXQZRNLSNN-CQSZACIVSA-N	352.862	2.425	10	10	FECE	
C[C@H](NC[C@@H](O)c1ccnn1C)c1cc(Br)c(F)cc1O	927137967	YQIJMAIBBNTRIM-RMLUDKJBSA-N	358.211	2.412	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)N1Cc2cccc(O)c2C1	926117338	YBZPAMDBDQZKAX-INWMFGNUSA-N	359.426	2.425	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C)CC3CCN(C)CC3)C2)cc1	852454022	NWYFHMYLQSJBRL-KRWDZBQOSA-N	360.502	2.257	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](CO)[C@@H]2CCC[C@H](OC)C2)c1	850502901	SQDVTGYHOSYVJL-UICACZKSSA-N	351.443	2.396	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCCN1C(=O)C(F)(F)F	862026926	DHCBFSMFXIEGII-LBPRGKRZSA-N	367.327	2.110	10	10	FECE	
C/C=C/C[C@@H]1NC(=O)N(Cc2ccc(N3CCN(CC)CC3)c(F)c2)C1=O	761285561	ZMXLNRRBFXONIR-RCFWFJCLSA-N	374.460	2.354	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2n[nH]c3cc(F)ccc23)c1	789885973	DYOQHYURACPHHX-UHFFFAOYSA-N	364.358	2.031	10	10	FECE	
COC(=O)c1c(CN2CCO[C@@]3(CCOC3)C2)c2cc(F)ccc2n1C	894475162	LASCLDCSCRVKHA-IBGZPJMESA-N	362.401	2.095	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@@H](O)CC2(CCOCC2)C1	899235214	AFCPZYKEJZURPL-LBPRGKRZSA-N	363.435	2.316	10	10	FECE	
COC(=O)c1c(CN2CCC[C@@](CO)(OC)C2)c2cc(F)ccc2n1C	895251002	RJZVBWAXSUMZKO-LJQANCHMSA-N	364.417	2.077	10	10	FECE	
C[C@H]1Oc2ccccc2N(CC(=O)NCc2cccc(Cl)c2O)C1=O	1159033099	BHBGWXFBPPDABF-LLVKDONJSA-N	360.797	2.476	10	10	FECE	
CCN[C@@H](C)c1ccc(N2CCS(=O)(=O)CC2)c(Br)c1	61695448	AKSMMPQWRVYROP-NSHDSACASA-N	361.305	2.354	10	10	FECE	
CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)CCc1ccc(N)cc1	711770939	IHXDTTKDBXBUGQ-QFIPXVFZSA-N	367.493	2.297	10	10	FECE	
CSc1ccc(N2C[C@@H](C(=O)NCc3cccc(O)c3O)CC2=O)cc1	1348047994	QVGSWJQNVMLTLG-ZDUSSCGKSA-N	372.446	2.489	10	10	FECE	
CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1CCn1cncn1	1509139042	SDWFHQGUFAIOHG-UHFFFAOYSA-N	355.446	2.110	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-n2ccnc2)ccc1O	1611430653	FIYUMNFAXFHBMS-LBPRGKRZSA-N	353.378	2.350	10	10	FECE	
CCN1C[C@H](CN(C)C(=O)Cc2ccc(O)c(O)c2)Oc2ccccc21	1623538830	QUQCBGBISVSICI-HNNXBMFYSA-N	356.422	2.386	10	10	FECE	
CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)c3ccc(N=NC(N)=O)cc3)[C@H]2C1	1556883028	IBUSQONNMBSTKR-BPUTZDHNSA-N	357.414	2.226	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H](O)c3ccccc3OC)CC2)cc1	1631277380	QPSSLPMNUDZMAT-IBGZPJMESA-N	356.422	2.086	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(C=O)cn1C	1637247217	IQPPLHNGZKIBFX-UHFFFAOYSA-N	364.785	2.012	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)[C@H](O)c1cccc([N+](=O)[O-])c1	1643285021	QJMSKHGTUPLZQV-QGZVFWFLSA-N	353.334	2.198	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1cn(-c2cccc(Cl)c2F)nn1	1645362778	CFWPFJFLJLJULM-UHFFFAOYSA-N	362.748	2.401	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN[C@@H]3CC=CC[C@H]3C)CC2)cc1	1655849886	HQXMTAUMDQBXNV-YFVAEKQCSA-N	359.514	2.122	10	10	FECE	
Cn1nccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2124517140	YJWMSCWDVYRWCJ-WCQYABFASA-N	363.422	2.287	10	10	FECE	
CO[C@H]1CN(c2nnc(C)n2CCCSc2nccs2)C[C@H]1OC	1770294100	SWMFHGLAIKUXSO-BETUJISGSA-N	369.516	2.075	10	10	FECE	
Cc1ccc(OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cn1	160737733	YFBHWVPSYOMHLN-UHFFFAOYSA-N	359.401	2.061	10	10	FECE	
Nc1ccc(OCCN2CCC(NC(=O)Cc3ccccc3)CC2)cc1	586048797	LIFKWIUSOPAMEM-UHFFFAOYSA-N	353.466	2.471	10	10	FECE	
CC(C)(C)OC(=O)NCC1(C(=O)N2CCCC[C@@H](CN=[N+]=[N-])C2)COC1	2131492410	MMQQWEYRPVSVOH-ZDUSSCGKSA-N	367.450	2.467	10	10	FECE	
O=C(O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1c1cc(O)c(O)c(O)c1	1906097269	PVYGTFNEEJNWRL-UONOGXRCSA-N	373.361	2.240	10	10	FECE	
COc1ccc(O)c([C@H](C)NCC2(CO)CN(C(=O)OC(C)(C)C)C2)c1	2137077974	OEFRPRDZLOBEDS-ZDUSSCGKSA-N	366.458	2.281	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](NCc2ccc(O)c(O)c2O)C2(CC2)C1	2033046834	QHUHYGHLOPYQFS-CYBMUJFWSA-N	350.415	2.293	10	10	FECE	
C[C@H](N[C@H]1COC[C@H]1CNC(=O)OC(C)(C)C)c1c(O)cccc1O	2036600088	RXXKLLNKVFNCNO-XQQFMLRXSA-N	352.431	2.288	10	10	FECE	
C[C@@H](N)c1ccc(N2CCS(=O)(=O)[C@H](C)[C@H]2C)c(Br)c1	2170277412	PLJYPANFTBKRBU-GMTAPVOTSA-N	361.305	2.481	10	10	FECE	
CN(C[C@H]1CN(Cc2cc(N)ccc2O)CCO1)C(=O)OC(C)(C)C	2044603910	ATKWACPITOEYJR-HNNXBMFYSA-N	351.447	2.042	10	10	FECE	
COc1cccc(CN[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)c1O	2058676309	MPLOTHYTPZGPIV-DZGCQCFKSA-N	352.431	2.125	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]1(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)CCCOC1	2060615653	QPIFWQYSCOFPKC-WBMJQRKESA-N	353.423	2.219	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](CO)(NCc2cc(F)cc(F)c2O)C1	2070032431	ZFTOKBDOWBMDGG-QGZVFWFLSA-N	358.385	2.132	10	10	FECE	
C[C@H](NS(=O)(=O)N1CC(OCc2ccccc2)C1)c1ccccc1O	2072486482	NBALUROQKFLPRT-AWEZNQCLSA-N	362.451	2.189	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@@H]2CN1CCC(=O)Nc1ccc(N)cc1	2198983903	VLLYWAZZQFVFBY-XOKHGSTOSA-N	374.485	2.442	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CC[C@H](N)c3ccccc32)=C[C@@H]1O	2201006744	PVSGOQGGVMZZRT-UXLLHSPISA-N	373.453	2.007	10	10	FECE	
CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1Nc1c(N)cccc1C(=O)O	2108866182	RXALADSJTXHDJF-GZBFAFLISA-N	365.430	2.450	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1CNC(=O)CCOc1ccc(N)cc1	2271980399	MJJHJJBICUNBJG-CZUORRHYSA-N	363.458	2.457	10	10	FECE	
Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc3c(c2)OCO3)C1=O	2296740348	YBKMZHQHBYBMJF-UHFFFAOYSA-N	350.330	2.390	10	10	FECE	
O=C1N=C(N2CCN(CCO)CC2)SC1=Cc1cccc2ccccc12	2297471836	BHJLGXNSQRAQAF-UHFFFAOYSA-N	367.474	2.420	10	10	FECE	
CCN1C(=O)/C(=C\c2ccc(OS(C)(=O)=O)c(OC)c2)SC1=S	102445373	ANRKGYDFSHCCAF-XYOKQWHBSA-N	373.477	2.255	10	10	FECE	
O=C(NN1C(=O)/C(=C\c2ccc[nH]2)SC1=S)c1cccc([N+](=O)[O-])c1	27231258	IYTSRYFUTQTFTN-XYOKQWHBSA-N	374.403	2.469	10	10	FECE	
Cc1cc(C(=O)Cn2nc3cnccn3c2=O)c(C)n1-c1ccc(F)cc1	181687099	BCLHNJQQWCBUOB-UHFFFAOYSA-N	365.368	2.321	10	10	FECE	
CN1/C(=C2\SC(=S)N(CC(=O)O)C2=O)N(C)c2cc(Cl)ccc21	44712524	OFJGGNFWLYDYSG-VAWYXSNFSA-N	369.855	2.340	10	10	FECE	
Cc1cc(C(=O)Cn2nnn(C3CC3)c2=O)c(C)n1-c1cccc(F)c1	809977318	VFEPPIUTIBROJQ-UHFFFAOYSA-N	355.373	2.204	10	10	FECE	
CCOCCS(=O)(=O)N(C)Cc1ccc(C)c(Br)c1O	2381127733	JURWGEZHWAZUAD-UHFFFAOYSA-N	366.277	2.261	10	10	FECE	
COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1Cc1cc(Cl)c(F)cc1O	293662602	PRHINPVUCFUPQZ-RNCFNFMXSA-N	359.781	2.111	10	10	FECE	
CN(C(=O)CN1C[C@H]2C[C@H]1CN2Cc1ccccc1)c1ccc(N)cc1	394240454	OOSQDDZFWSIAKP-UXHICEINSA-N	350.466	2.190	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(O)c2)C1	2132414375	WMNUHDWMWWDLDD-UHFFFAOYSA-N	364.398	2.029	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCC4(CCC(O)CC4)CC3)cc2N1	828358821	VCQHZDYNWCFPEL-UHFFFAOYSA-N	361.398	2.447	10	10	FECE	
CCOC(=O)C(F)(F)[C@H](N)c1cc(C(=O)O)cc(Br)c1O	725274799	FZOPCZPVZPRSRY-SECBINFHSA-N	368.130	2.051	10	10	FECE	
O=S1(=O)CCN(Cc2ccc(Br)cc2O)[C@@H]2CCC[C@@H]21	826100733	SWWCPVAXHPCGJG-OCCSQVGLSA-N	360.273	2.306	10	10	FECE	
NC1CCC(OCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1	829002820	FPZCXLIRYAFNDY-DAWZGUTISA-N	362.470	2.186	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(C2CCNCC2)no1	662753270	REBBATYAHBEFFS-UHFFFAOYSA-N	356.426	2.247	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1	834594370	RXMKLYYQPXHCAE-YESZJQIVSA-N	373.522	2.161	10	10	FECE	
COc1ccc(N2CC[C@@H](N3C(=O)N[C@@H](Cc4ccccc4)C3=O)C2)cc1	849357113	JQNFNEDBOHVIDR-MJGOQNOKSA-N	365.433	2.437	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Nc3cc(C(N)=O)ccc3F)C2)cc1	854300936	DPIDTVMHCYYAKL-CYBMUJFWSA-N	372.400	2.334	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@H](c4noc(C)n4)C3)C2)cc1	923185842	QDKAFMNZKGHOAN-HUUCEWRRSA-N	371.441	2.164	10	10	FECE	
Cc1cc(CCNC(=O)N[C@@H]2CC(=O)N(C)C2)c(C)n1-c1ccccc1	750633737	CYEGBIOSFPDHLZ-QGZVFWFLSA-N	354.454	2.167	10	10	FECE	
COC[C@@H](CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)OC	854293943	YUZOHRBPXYDFDX-IAGOWNOFSA-N	366.458	2.134	10	10	FECE	
COc1ccc(N2CC[C@H](CNS(=O)(=O)[C@@H]3COC(C)(C)C3)C2)cc1	859196132	LVSHATIDBGYGLN-PBHICJAKSA-N	368.499	2.008	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCO[C@H](CC(N)=O)C2)c1	863487451	UTZNUPIEGAHOTE-MRXNPFEDSA-N	355.438	2.119	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CNC[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cc1	863562818	LSCCKVBRDUTERF-WERVVEIQSA-N	373.541	2.204	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](NC(=O)c2ccccn2)C(C)C)c1	761973546	RHKVWTXMGUPZMP-SCLBCKFNSA-N	371.437	2.428	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H](OCCN2CCCCC2)C1	779484398	CRZUUCROSUGLAI-WVRJYTFGSA-N	360.454	2.214	10	10	FECE	
CN(C)CCOc1ccc(/C=C/C(=O)NCc2cccc(O)c2O)cc1	1123977448	HFFWGEUSAPMHNK-DHZHZOJOSA-N	356.422	2.368	10	10	FECE	
CCOC(=O)c1c[nH]nc1[C@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	1149326312	OQYJOWWROOVFGD-AGLBCWCQSA-N	371.393	2.027	10	10	FECE	
Nc1ccc(OCC(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1	705976958	UZYDUPITSZECAV-QZTJIDSGSA-N	351.450	2.238	10	10	FECE	
O=C(C(=O)N(CCC(F)(F)F)CC1CC1)N1Cc2cccc(O)c2C1	1329412919	NOQPWTRSEYCQJS-UHFFFAOYSA-N	356.344	2.425	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@]1(C)CC1(F)F	1330333777	PDIKINXYAPCHDJ-KRWDZBQOSA-N	353.413	2.263	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1F	1262147037	LQJXDMYYEVODSD-FUHWJXTLSA-N	356.397	2.492	10	10	FECE	
COC(=O)c1ccn(CCCC(=O)NCCCSc2nccs2)n1	1443487092	FLMQHCPZWJPIPJ-UHFFFAOYSA-N	368.484	2.205	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	1539467873	GWEHMYVFGRCKLT-UHFFFAOYSA-N	370.409	2.015	10	10	FECE	
COc1ccc(N2CCN(C(=O)C3SCCS3)CC2)c(OC)c1	1534586610	FULNICCPTZYVQZ-UHFFFAOYSA-N	354.497	2.159	10	10	FECE	
COc1ccc(N2C[C@@H]3CCO[C@]3(CNC(=O)OC(C)(C)C)C2)c(N)c1	2118555422	KMYLUYKIRUGOMX-ORAYPTAESA-N	363.458	2.397	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CNC(=O)CCc3ccc(N)cc3)[C@H]2C1	2119083269	HIADYQJHGSCCTG-BJWYYQGGSA-N	359.470	2.431	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)[C@H]1COc2ccc(O)cc2O1	1557122955	LSGNTYICLKJGEB-MRXNPFEDSA-N	352.346	2.102	10	10	FECE	
O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NCc1cc(O)ccc1O	1644752583	LJTHFAHHNMKHMX-UHFFFAOYSA-N	367.405	2.131	10	10	FECE	
CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(F)cc2)N(C)C)cc1	5098867	ZFELMEUJTRQIRS-GOSISDBHSA-N	365.474	2.473	10	10	FECE	
Cc1c(C(=O)NCc2ccc(N(C)C)cc2)sc2ncn(C)c(=O)c12	18215388	SQZHZRFFLWJEDE-UHFFFAOYSA-N	356.451	2.299	10	10	FECE	
Nc1ccc(O)c(CN2CC[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)c1	2129060195	PLFWBUCYIOUPRV-PZJWPPBQSA-N	353.466	2.450	10	10	FECE	
COC(=O)C1(NCc2ccc(OC)c(C)c2)CN(C(=O)OC(C)(C)C)C1	1913939752	INPYQXYKLIHRIG-UHFFFAOYSA-N	364.442	2.256	10	10	FECE	
CN(Cc1ccccc1)C1CN(C(=O)c2ccn(-c3ccc(N)cc3)n2)C1	1914189830	DACINTPPXTUBQC-UHFFFAOYSA-N	361.449	2.411	10	10	FECE	
C[C@@](Cc1cc(O)c(O)c(O)c1)(NC(=O)OCc1ccccc1)C(=O)O	1951730401	BUUPCWWPRQHAJI-SFHVURJKSA-N	361.350	2.116	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(C(=O)O)(c2ccc(O)c(O)c2O)CC1	1952146648	UDNXNVQKHNTGPM-UHFFFAOYSA-N	353.371	2.157	10	10	FECE	
CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1cccc(O)c1O	1971249200	BDEXCKWICAJNGL-GFCCVEGCSA-N	350.415	2.427	10	10	FECE	
C[C@@H]([C@@H](C)N(C)Cc1c(O)cccc1Br)S(C)(=O)=O	2114228344	OSOABGSOANNOTC-ZJUUUORDSA-N	350.278	2.408	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@H]2C(=O)C(=O)C[C@H]1C[C@H](N)C1	2049787265	WIZFQMSEOSZNIE-KYFQHEKYSA-N	350.459	2.191	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1	2060635634	NPUDERJYMROKGK-GFCCVEGCSA-N	353.423	2.171	10	10	FECE	
O=C(Nc1ncccc1I)c1cccc(O)c1O	2082436356	MGWHVTIDLYMYSX-UHFFFAOYSA-N	356.119	2.350	10	10	FECE	
CN(C(=O)CN1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(N)cc1	2106651318	NFOIPYCMVBWLEB-OAHLLOKOSA-N	362.474	2.221	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2225794569	GZSKHAOKXKJHQY-PFHKOEEOSA-N	365.434	2.360	10	10	FECE	
CC(C)(C)OC(=O)N(CCCO)CCC(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2319870381	NZXRXEFTMFHYPZ-ZDUSSCGKSA-N	355.439	2.155	10	10	FECE	
O=C(Cc1ccccc1F)N1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1	170914054	ZCAQBXWEJBCFAN-UHFFFAOYSA-N	373.384	2.326	10	10	FECE	
C[C@H](NC(=O)Cn1nnc2ccccc21)c1ccc(N2CCOCC2)cc1	68512681	IYKLYMBNERJSNT-HNNXBMFYSA-N	365.437	2.145	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCN(C[C@H]3CCCCN3C)CC2)c1O	79432754	MOUGFOWPLXFLOA-GOSISDBHSA-N	363.477	2.336	10	10	FECE	
CCc1cc(O)ccc1NS(=O)(=O)c1cnn(C2CCOCC2)c1	189424104	NADAUSAPJGNNAX-UHFFFAOYSA-N	351.428	2.303	10	10	FECE	
NS(=O)(=O)CCCCCCNCc1c(O)cccc1Br	2364237898	MXDSJYYKEVMJEU-UHFFFAOYSA-N	365.293	2.093	10	10	FECE	
COc1cc(Br)cc(CN2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)c1O	249586150	OIZPQXOHXPYESI-LZMUYIQZSA-N	354.244	2.364	10	10	FECE	
O=C(/C=C/[C@H]1CCCO1)NCc1cc(F)c(N2CCOCC2)c(F)c1	819565400	XULHHFWFSGILCI-RDFMZFSFSA-N	352.381	2.153	10	10	FECE	
CO[C@H](CS(=O)(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C1CC1	827695110	QDOJUWATZMJISN-RDTXWAMCSA-N	354.516	2.336	10	10	FECE	
CCc1ncc(CNC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)o1	836634583	WGOMTFRUKZZRRU-UHFFFAOYSA-N	362.405	2.417	10	10	FECE	
C[C@H]1CN(Cc2cc(O)n3ncc(C(=O)O)c3n2)CCc2ccccc21	846292250	YZGSGKBYZDVXJA-LBPRGKRZSA-N	352.394	2.295	10	10	FECE	
C[C@@H]1CN(Cc2cc(O)n3ncc(C(=O)O)c3n2)CCc2ccccc21	846292249	YZGSGKBYZDVXJA-GFCCVEGCSA-N	352.394	2.295	10	10	FECE	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CCCCCO1	845252907	HIMQXKVLCFSOHG-UHFFFAOYSA-N	355.385	2.429	10	10	FECE	
O=S1(=O)C[C@@H](CNCc2ccc3c(c2)CCCO3)Oc2ccccc21	922207912	LGGBQLCBABNXFM-MRXNPFEDSA-N	359.447	2.336	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)[C@@H]1COC(C)(C)C1	859191737	CTJBSLBDHFZTKU-PBHICJAKSA-N	354.516	2.479	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)c3cn(C)nc3C)C2)cc1	852051079	GSFUDBRRNNAEAG-UKRRQHHQSA-N	357.458	2.376	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@]3(c4ccccc4)CCNC3)C2)cc1	851639359	DNXMYXBJNNKFHD-AVRDEDQJSA-N	365.477	2.321	10	10	FECE	
Cc1ncc(Cl)c(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)n1	856211486	RVSUAGDZHHUANM-UHFFFAOYSA-N	360.845	2.330	10	10	FECE	
COC(=O)/C(C)=C/CNC(=O)NCc1cccc(Br)c1O	925019710	RQIUZQDDNHYQGG-RMKNXTFCSA-N	357.204	2.073	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)C(=O)OC(C)C)C2)cc1	852456620	ZQSNOKUUXNIONF-CABCVRRESA-N	363.458	2.161	10	10	FECE	
Cc1cncn1CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	858626072	NHZCGDBCNZQDAZ-GJZGRUSLSA-N	360.433	2.261	10	10	FECE	
Cc1cc(CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1	854294357	BHGSYWZZJQRFKK-GOSISDBHSA-N	360.479	2.282	10	10	FECE	
CCOC(=O)c1cn(C)nc1NC(=O)N[C@@H](C)c1cc(OC)ccc1O	752804223	MCXULDSNHUVLEK-JTQLQIEISA-N	362.386	2.194	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCCCC(=O)OC(C)C)C2)cc1	852451556	NEEFLUJSNFFCOA-HNNXBMFYSA-N	363.458	2.305	10	10	FECE	
CCn1nc(C)c(CC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1C	855225230	IYHHLNMEHDDWLG-MRXNPFEDSA-N	356.470	2.466	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3COC(=O)N3)c2C)c1	859911143	OBDRIHZROFDTNJ-INIZCTEOSA-N	356.378	2.237	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)/C=C\COC3CCOCC3)C2)cc1	869228968	QLKCAWZBCSXXFB-RXYHWBRQSA-N	360.454	2.142	10	10	FECE	
O=[S@@]1[C@H]2CC[C@H]1CN(Cc1ccc(N3CCOCC3)c(F)c1)CC2	862528457	ZNSBQJWCAJCQOI-CCHLGUQTSA-N	352.475	2.148	10	10	FECE	
CC[C@@H](Cn1cncn1)NCc1ccc(N2CCN(CC)CC2)c(F)c1	788596294	YOFIKMPYSBTNAN-KRWDZBQOSA-N	360.481	2.128	10	10	FECE	
Cc1cc(CCNC(=O)N2C[C@@H](C)O[C@@H](CO)C2)c(C)n1-c1ccccc1	786689971	PXDHMQYOVUAUML-OXQOHEQNSA-N	371.481	2.428	10	10	FECE	
CC(C)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(F)(F)F	787699835	HVUDBBZTKMDDJA-NSHDSACASA-N	354.350	2.080	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC[C@@H]1CC1(F)F	1331097504	IJXASAWCWBYFAP-CQSZACIVSA-N	353.413	2.263	10	10	FECE	
Cc1cc(CNC(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)c(C)n1-c1ccccc1	1254079270	JCIKDNKSZUSRTG-RHNCMZPLSA-N	354.454	2.499	10	10	FECE	
COc1ccc(COCC(=O)NCc2ccc3c(c2)CCCN3C)cn1	1261840676	QJOJMFILPHTMNH-UHFFFAOYSA-N	355.438	2.306	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3Cc4cccnc4C3)CC2)c(OC)c1	1350029206	WRPUWAFYPXZEEK-MRXNPFEDSA-N	367.449	2.162	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CC(=O)NCc1cccc(O)c1O)C1CC1	1455314116	FEXIRHNEBOOWRL-CYBMUJFWSA-N	350.415	2.407	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])cc(C)n3)C2)cc1	1538745934	HQEGFVVHNQAFIJ-CYBMUJFWSA-N	356.382	2.316	10	10	FECE	
C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)[C@@H]1C[C@H]1C1CC1	1533748556	LHPWCOXGVBAUGN-WKPIXPDZSA-N	357.414	2.130	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CNCc3cc4c(cc3O)OCO4)[C@H]2C1	2119081742	FKMWNUAWROPWEF-BTTYYORXSA-N	362.426	2.323	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)NCc2c(O)cccc2F)C1	1596913462	ZJTHDEOSXQUKBT-KRWDZBQOSA-N	356.369	2.497	10	10	FECE	
COc1cccc(CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)c1O	1595800351	VHFFOCBTOJNIDU-UHFFFAOYSA-N	351.746	2.475	10	10	FECE	
COc1cc(O)c(CN2CCN(Cc3cnc(C)s3)CC2)cc1OC	160171572	LREWAFUOEHMSRF-UHFFFAOYSA-N	363.483	2.492	10	10	FECE	
C[C@@H](NCc1ccc(Br)cc1O)[C@H]1CCCS(=O)(=O)C1	2146112301	LPEMQQPGEMRKLP-PWSUYJOCSA-N	362.289	2.458	10	10	FECE	
O=S(=O)(Nc1ccc(O)cc1)c1ccc(CO)cc1Br	2157796452	XHSMDUQBJKQQJI-UHFFFAOYSA-N	358.213	2.448	10	10	FECE	
C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccc(O)cc1O	2052720672	LRBMVEYTBXVWDW-HZUKXOBISA-N	352.431	2.119	10	10	FECE	
CO[C@]1(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)CCCN(C(=O)OC(C)(C)C)C1	2060614106	YIKQALZYKSSPMQ-MLGOLLRUSA-N	353.423	2.314	10	10	FECE	
C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1CC(=O)N(C)c1ccc(N)cc1	2106682814	XTKCJTVADIJXFP-ZFWWWQNUSA-N	362.474	2.219	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@H]4C(CO)[C@@H]4C3)ccc(N)c2C1	2090730084	LNBSQDABDZACPH-ZIAGYGMSSA-N	359.470	2.237	10	10	FECE	
O=C(c1ccc(O)c(O)c1)N1CC[C@H]2COC[C@@H](C1)N2Cc1ccccc1	2204526107	OYDZOQDAUQNIOE-ZWKOTPCHSA-N	368.433	2.213	10	10	FECE	
CC(C)(C)OC(=O)NCCCCc1ccc(Nc2nnc(=N)[nH]n2)cc1	2226137859	HFZIXOHYJXKWSV-UHFFFAOYSA-N	359.434	2.270	10	10	FECE	
CN1CC[C@@H]2[C@H](CCCN2C(=O)C=Cc2ccc(N3CCOCC3)cc2)C1	2301553470	SYFRBVSCXOUCRD-TZIWHRDSSA-N	369.509	2.479	10	10	FECE	
COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1O	2313559013	PCJUOGUJBLAUJQ-UHFFFAOYSA-N	372.377	2.371	10	10	FECE	
C[C@H]1COC[C@@H](C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])N1C(=O)OC(C)(C)C	2312333837	CEPBDWTVNYCBCK-RNJOBUHISA-N	353.423	2.358	10	10	FECE	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/Nc1ccc2c(c1)OCO2	100412334	WGJBDYQYPTVKBH-MDWZMJQESA-N	369.308	2.133	10	10	FECE	
Cc1cc(C(=O)N2C[C@H](CO)[C@@H](CCO)C2)c(C)n1-c1ccc(F)cc1	1353357069	MRNRRNKBMVPWRM-JKSUJKDBSA-N	360.429	2.296	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](C)c3cccnc3)cc2)CC1	188119326	JSXDAZMHWUXXFS-MRXNPFEDSA-N	366.465	2.170	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H]3CCO[C@H](C4CC4)C3)CC2)cc1	130104057	ZAMNUNDRVDGGBZ-LPHOPBHVSA-N	359.470	2.484	10	10	FECE	
C[C@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1n1ccnc1	246881327	BBWRLTIYLFTLSH-QFBILLFUSA-N	355.486	2.148	10	10	FECE	
COc1ccc(O)c(CN2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c1	377917808	MROIOLXZXNAAJH-GOEBONIOSA-N	368.433	2.410	10	10	FECE	
Cc1ccc(CN(C)C(=O)[C@H](N)CC(F)F)c(O)c1Br	2381129718	OBHOSJJQGJHMES-SECBINFHSA-N	351.191	2.404	10	10	FECE	
NC(=O)c1coc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)c1	807151475	CVHVDQFCEHSHNO-UHFFFAOYSA-N	358.181	2.390	10	10	FECE	
C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2cc(O)c(O)c(O)c2)C1	2132404079	OZLBMVJADOMICB-JQWIXIFHSA-N	366.414	2.179	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cncc(Cl)c3)cc2)C1	825373922	XWSFKJHLGHXOOW-AWEZNQCLSA-N	372.856	2.367	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3[C@H]4CC[C@H]3[C@H](CO)C4)C2)cc1	824688120	WEOVXAZKZGYSQV-YEWFCNIMSA-N	359.470	2.076	10	10	FECE	
CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC/C=C\c1ccc(N(C)C)cc1)C2	835054854	ZQEICCNATAWBTF-HEQLHIRUSA-N	370.541	2.439	10	10	FECE	
C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C(C)(C)C	846741667	BXCXMNGTBMYMIS-OAHLLOKOSA-N	361.486	2.032	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCCO[C@H]3CC3(F)F)CC2)cc1F	852529358	GYEZSZREYIGWIZ-HNNXBMFYSA-N	373.375	2.090	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3C[C@@H](O)C34CCC4)C2)cc1	854187253	JQGQWEFTWBCXDV-ZTFGCOKTSA-N	359.470	2.124	10	10	FECE	
CCn1cnc2c1CCN(C(=O)N[C@@H]1CCN(c3ccc(OC)cc3)C1)C2	923186409	IZXQVYNVUNEYHY-OAHLLOKOSA-N	369.469	2.258	10	10	FECE	
COCCC1CN(C(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1	850684492	DBSAFVPUXIWJSZ-UHFFFAOYSA-N	373.497	2.130	10	10	FECE	
Cc1ccc(C(=O)NCCOCCCNC(=O)OC(C)(C)C)c(O)c1O	863036171	XREZMMUCPAOZAK-UHFFFAOYSA-N	368.430	2.067	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1cn(C[C@@H]2CCOC2)nn1	865604470	WRPKVZABOJVBTB-SJORKVTESA-N	357.502	2.410	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@H]1C[C@@]12CCOC2	763550657	PHQMHBUICBDUSY-IFMALSPDSA-N	369.509	2.261	10	10	FECE	
CCCn1nccc1NC(=O)COc1ccc(N(C)C)c(C(=O)OC)c1	865396437	TZEJUFWHEPHRSP-UHFFFAOYSA-N	360.414	2.163	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1	761983473	RXWLGFKTWWUGNP-KMSCOEIWSA-N	355.394	2.046	10	10	FECE	
CN(C)c1ccc(CNCC(=O)N2CCN(c3ccccc3)CC2)cc1	71122533	DNFOVWRLEHVPKP-UHFFFAOYSA-N	352.482	2.191	10	10	FECE	
COc1cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)n(C)n1	881253684	PVLUSGAQSOENKL-UHFFFAOYSA-N	361.471	2.304	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2ccns2)cc1	897488647	IKZOAPHYYKITCD-UHFFFAOYSA-N	360.483	2.264	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN3CC(C)=C[C@@H](C)C3)CC2)cc1	797526583	VKUUIASBTOUMML-XLIONFOSSA-N	359.514	2.076	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1COC(C)(C)CN1Cc1cc(N)ccc1O	1880801794	SHCAWYXGMWWRDX-OAHLLOKOSA-N	365.474	2.479	10	10	FECE	
COC[C@@H](C)Cn1c(C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1	1300954968	AEIYDABFBNBUDC-INIZCTEOSA-N	373.501	2.342	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1CCCN1CCCCC1=O	1304795063	WSTDUKYGCCGKPJ-UHFFFAOYSA-N	357.458	2.331	10	10	FECE	
CS(C)(=O)=Nc1ccc(C(=O)Nc2nc(C3=S=CC=C3)n[nH]2)cc1	1160559985	RPUIDEATAIVZOT-UHFFFAOYSA-N	361.452	2.042	10	10	FECE	
COC(=O)N1CC(NC(=O)NCc2cc(C)n(-c3ccccc3)c2C)C1	1312544779	ZCQWUBUQLOTDDF-UHFFFAOYSA-N	356.426	2.344	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H](C)c2ccncc2)cc1	1349059383	ZXKPINFOUSQAKX-INIZCTEOSA-N	368.481	2.464	10	10	FECE	
COc1ccc(CNC(=O)NCc2ccnc(-c3ccccn3)n2)c(O)c1	1565273255	SFEAFNHJLLYPKG-UHFFFAOYSA-N	365.393	2.252	10	10	FECE	
O=C(NCc1cccc(O)c1O)c1cccc(CNc2ccncn2)c1	1593738940	CERAFFOPYAFMAS-UHFFFAOYSA-N	350.378	2.430	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1cnn2c(-c3cccnc3)ccnc12	1597574459	LWFYXRGTDPPTSL-UHFFFAOYSA-N	361.361	2.133	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](CC(=O)NCc2ccccc2O)C1	1964891795	XSIHIUNRHQHORT-HUUCEWRRSA-N	364.442	2.471	10	10	FECE	
CC(C)c1nnc(N(C)Cc2ccccc2O)n1CCNC(=O)C1CC1	1691667950	HBSIWTDMJWWXQZ-UHFFFAOYSA-N	357.458	2.270	10	10	FECE	
COc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccc(N)cc2)N(C)C)cc1	1860082703	RNKHVLHEIHOFJE-KUHUBIRLSA-N	357.454	2.464	10	10	FECE	
Nc1ccc(OCCN2CCC(NC(=O)COc3ccccc3)CC2)cc1	586048088	DAXUNUIJAOPHRQ-UHFFFAOYSA-N	369.465	2.307	10	10	FECE	
CC(C)(C)OC(=O)NCC12COC(C(=O)N3CCC[C@@H]3CN=[N+]=[N-])(C1)C2	2142245486	DWVYLQKDQQUNPT-AXOLYNHLSA-N	365.434	2.362	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CC(C)(C)c1ccc(O)c(O)c1O)C(=O)O	1952438074	SGIHZFRXHGUPII-SNVBAGLBSA-N	355.387	2.449	10	10	FECE	
C[C@H](N[C@@H]1COCC[C@H]1NC(=O)OC(C)(C)C)c1cc(O)ccc1O	2031531516	CBZINESWEDFOIO-NILFDRSVSA-N	352.431	2.431	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N2CCC(N=[N+]=[N-])CC2)C1	2060635875	QEZMRSPCTJVZEI-UHFFFAOYSA-N	353.423	2.314	10	10	FECE	
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2060635925	QTPYFLJZJBVUHY-XQQFMLRXSA-N	353.423	2.170	10	10	FECE	
CN(C(=O)CN1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)c1ccc(N)cc1	2188879577	SWFGHELNUUZMHP-PBHICJAKSA-N	374.485	2.173	10	10	FECE	
C[C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)Cc2ccc(N)cc2)C1	2106735362	YGLAPMGPGHENSY-RISCZKNCSA-N	357.376	2.117	10	10	FECE	
CC(C)(C)OC(=O)NCCCN(CCO)C(=O)Nc1ccc(N)cc1	2255087852	ZUNNVYOJPGSFNP-UHFFFAOYSA-N	352.435	2.010	10	10	FECE	
COC(=O)[C@H](C)N1C(=O)C(=Cc2ccc(O)c(OC)c2)SC1=S	2293308587	AOJUWBUNWWSWIV-QMMMGPOBSA-N	353.421	2.164	10	10	FECE	
O=S(=O)(Nc1ccc(O)c(C(F)(F)F)c1)C1CC2(C1)OCCO2	2295336457	WLMWBGASRWWEPM-UHFFFAOYSA-N	353.318	2.058	10	10	FECE	
CN(C(=O)CN1C[C@@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1)c1ccc(N)cc1	2288269257	ZVYCTOBJFCVLEH-XOBRGWDASA-N	374.485	2.078	10	10	FECE	
C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C=Cc1ccc(N2CCOCC2)cc1	2297636518	PAIFARKDSXDWPD-FXAWDEMLSA-N	357.498	2.335	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N1CCN(C(=O)c2ccccc2)CC1	2307982195	SHFSGZSNQXYGSQ-UHFFFAOYSA-N	352.390	2.096	10	10	FECE	
Cc1cc(C=C2SC(=S)N([C@H](C(=O)O)[C@H](C)O)C2=O)ccc1F	2323823378	BGQCMIOJYAXTMR-UFBFGSQYSA-N	355.412	2.169	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@H]1C(=O)N1CCc2cc(O)c(O)cc2C1	2341194670	WYAUTLDXVRWNHM-KGLIPLIRSA-N	362.426	2.286	10	10	FECE	
COc1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccc(OC)cc3)C2=O)cc1	6008960	YAPPSZGVIMWSKO-BOPFTXTBSA-N	366.373	2.366	10	10	FECE	
CCN1CCN(c2ccc(C(=O)NCc3cccc(OC)c3O)cc2)CC1	175928665	LMSSQRMIYAJIFE-UHFFFAOYSA-N	369.465	2.473	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ncncc1Cl	176547227	YWPVAMREOTUDDD-UHFFFAOYSA-N	364.808	2.160	10	10	FECE	
O=C1Cc2cc(N3CCN(C(=O)c4ccc(F)c(F)c4)CC3)ccc2N1	62093615	IHOLTNRJYLNBLS-UHFFFAOYSA-N	357.360	2.422	10	10	FECE	
COc1ccc(CNCCN(C[C@H](C)O)C(=O)OC(C)(C)C)c(O)c1	305886710	LKQDBLLZQMJTCR-ZDUSSCGKSA-N	354.447	2.108	10	10	FECE	
CCn1nccc1N1CCC[C@@H](N[C@H](C)c2cc(OC)ccc2O)C1=O	188578748	XTXIKZVGKLKZKK-CZUORRHYSA-N	358.442	2.463	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCN(c4ccccc4)CC3)cc2N1	197408209	FQSUSXODUWZGPK-UHFFFAOYSA-N	354.366	2.252	10	10	FECE	
COc1cc(CNC(=O)/C=C\c2ccc(N3CCOCC3)cc2)ccn1	254969365	CPLYYQPMAGUIQM-DAXSKMNVSA-N	353.422	2.256	10	10	FECE	
COC[C@@H](CNC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2)OC	444363818	KLESIRLUHAXKCW-MRXNPFEDSA-N	373.497	2.185	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)c3cccn(C)c3=O)cc2F)C[C@@H](C)O1	264113821	PIJSONCZSKMXJQ-OKILXGFUSA-N	373.428	2.068	10	10	FECE	
CC(C)C(=O)N1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1	265958689	WOLLJMBVLNLJBZ-UHFFFAOYSA-N	356.470	2.073	10	10	FECE	
COCC(=O)N1CCc2c(NC(=O)c3ccc(C)c(O)c3O)cccc21	368217806	AMAXTJHVFUEGJC-UHFFFAOYSA-N	356.378	2.194	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CNC2CCN(c3cc(C)n[nH]3)CC2)c1O	278133779	CPLMAIZOLUZHQB-UHFFFAOYSA-N	361.402	2.099	10	10	FECE	
CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)NCc1ccc(N2CC=CC2)cc1	285649689	ZQIXAUHKANFSLN-FUHWJXTLSA-N	361.486	2.020	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)N[C@@H](C)C(F)(F)F)CC2)cc1	287137312	HFMMXKRDHSGHNB-ZDUSSCGKSA-N	374.407	2.067	10	10	FECE	
Cc1nn(C)c(C)c1OCC(=O)NCc1cc(Br)ccc1O	804734626	TYFVMYYHPOOXRN-UHFFFAOYSA-N	368.231	2.200	10	10	FECE	
CS(=O)(=O)N1CC[C@H](CN(Cc2ccco2)Cc2ccccc2O)C1	801522977	HXWCDPYNNJSBKZ-OAHLLOKOSA-N	364.467	2.269	10	10	FECE	
CC(=O)N1CCC[C@H](C(=O)NCc2cc(Br)ccc2O)C1	804734149	XHWQVNMWAJFWQP-NSHDSACASA-N	355.232	2.029	10	10	FECE	
CC1(C)CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1	2132403359	JDBLINPNACPMOL-KRWDZBQOSA-N	356.422	2.444	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCN(c3ncccn3)C2)c1	728948541	CSUIUXGVMMQPAJ-KBPBESRZSA-N	371.441	2.220	10	10	FECE	
C[C@H](C(=O)N1CCCC1)N1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1	835028642	NVQQXDCNJLJGOZ-OVKVCFKUSA-N	370.541	2.394	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@H](OC(F)F)C1	839275376	OTOOHGGGOAKZAH-AWEZNQCLSA-N	370.396	2.361	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCO[C@]2(CCOC2)C1	840482351	WSDVGTOIZVXVKI-OXJNMPFZSA-N	361.486	2.193	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cn2c(n1)CC[C@@H](C)C2	857958343	IBEBXMXKQBRDAC-CQSZACIVSA-N	371.437	2.377	10	10	FECE	
CNC(=O)NC[C@H]1CN(Cc2ccc(N3CCCCC3)c(C)c2)CCO1	859490131	XXDDHNBEAYABFJ-SFHVURJKSA-N	360.502	2.115	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)[C@H]1CC[C@H](C(F)(F)F)NC1=O	862028690	HUUZTMKAUZIFRG-VXGBXAGGSA-N	367.327	2.014	10	10	FECE	
CSCC[C@H](NC(=O)c1ccco1)C(=O)N1Cc2cccc(O)c2C1	871200149	ZERNWMAGUVCUPJ-AWEZNQCLSA-N	360.435	2.379	10	10	FECE	
COC(=O)C(=O)[C@H](C)OC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C	778281909	BYIXRMQMHIRWOO-ZDUSSCGKSA-N	359.378	2.390	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3C[C@@H]4CCC[C@]4(CO)C3)C2)cc1	875679717	QDYYLOVOQKJXBW-XGHQBKJUSA-N	373.497	2.326	10	10	FECE	
Fc1cc(CNC2CSC2)ccc1N1CCN(c2ncccn2)CC1	780872152	HPAJCOKZTNGOBR-UHFFFAOYSA-N	359.474	2.147	10	10	FECE	
O=C(C1CC1)[C@H]1CN(Cc2cc(Br)cc(F)c2O)CCO1	894682950	HEPVOTUTXOHFBU-CYBMUJFWSA-N	358.207	2.474	10	10	FECE	
COC(=O)c1c(CNCCOC[C@@H]2CCOC2)c2cc(F)ccc2n1C	894226198	ODQKMTPPLOXCAG-CYBMUJFWSA-N	364.417	2.247	10	10	FECE	
COC(=O)c1c(CNCCC2(O)CCOCC2)c2cc(F)ccc2n1C	894740305	AELUWOUFGUNIHM-UHFFFAOYSA-N	364.417	2.125	10	10	FECE	
COC(=O)C[C@@H]1CN(Cc2cc(C)cc(Br)c2O)CCO1	781914013	VZTBFUALYFIWQT-GFCCVEGCSA-N	358.232	2.227	10	10	FECE	
CS(=O)(=O)C[C@@H]1CCCCN1C(=O)c1cc2cc(O)c(O)cc2s1	897906471	WMGYBKHXYGCQGV-NSHDSACASA-N	369.464	2.352	10	10	FECE	
COC(C[C@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1)OC	1881483253	OLJAVGLXJLKDLF-MRXNPFEDSA-N	367.490	2.484	10	10	FECE	
COc1cc(N2CCN(c3ccncc3OC)CC2)c([N+](=O)[O-])cc1OC	795288308	RLPWMJDAWAAVEK-UHFFFAOYSA-N	374.397	2.342	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC[C@@H](O)COc2ccc(F)cc2)cc1	1150146917	PBUUUGKQYCEWAJ-CQSZACIVSA-N	360.345	2.158	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)CN2CSCCSC2)cc1	1164596626	ADDAWHDQLXGFBG-UHFFFAOYSA-N	369.556	2.287	10	10	FECE	
O=C(NCCc1ccsc1)C(=O)NCc1ccc(N2CC=CC2)cc1	1322892512	VDOBAALCLBOUDQ-UHFFFAOYSA-N	355.463	2.099	10	10	FECE	
Nc1ccc(O)c(CN2CC[C@]3(CN(Cc4ccccc4)CCO3)C2)c1	717522372	KKUVLMYRKWHKEI-OAQYLSRUSA-N	353.466	2.451	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3ccc([N+](=O)[O-])cc3N)C2)cc1	1469279983	IVOUWFMGGIYCGO-CYBMUJFWSA-N	370.409	2.442	10	10	FECE	
Cc1cc(CN(C)CC(=O)N2CCN(C)CC2)ccc1N1CCCCC1	1460547056	XDAHXYHUYHXCAN-UHFFFAOYSA-N	358.530	2.191	10	10	FECE	
Cc1cc(CC(=O)N[C@@H](CO)CN2CCCC2)c(C)n1-c1ccccc1	1556855295	XJZJSHSZURNPJS-LJQANCHMSA-N	355.482	2.210	10	10	FECE	
CCOCC(C)(C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1565452617	HZNPHROPIQLKTK-KRWDZBQOSA-N	350.507	2.470	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)N2CCN(C)C(C)(C)C2)N(C)C)cc1	1565452629	IGTPCRQKMWIOIT-GOSISDBHSA-N	361.534	2.091	10	10	FECE	
C[C@@H]1OCC[C@]1(O)Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1O	1763277206	ZXKCYOUAHJPLEE-XOBRGWDASA-N	372.469	2.113	10	10	FECE	
CN1CCCC[C@@H]1CNC(=O)NCc1cccc(Br)c1O	1685546610	WBUDXEQVEHYHFZ-GFCCVEGCSA-N	356.264	2.438	10	10	FECE	
COCCCN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])C(C(=O)OC)=C1C	5701183	XFVDDZLJTFNYFU-SDNWHVSQSA-N	360.366	2.304	10	10	FECE	
O=C(O)CCOc1cccc(/C=C2\SC(=S)N(CCCO)C2=O)c1	16937860	ASCFUEIULKCNKR-RAXLEYEMSA-N	367.448	2.124	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)c2ccc(O)nn2)N2CCCCC2)cc1	1866108233	GGXZUFHCTRUBRZ-GOSISDBHSA-N	369.469	2.205	10	10	FECE	
CN(C)c1ccc([C@@H](NC(=O)Cc2cscn2)c2nccn2C)cc1	1866133288	XVBXWLBZKIEXOK-QGZVFWFLSA-N	355.467	2.391	10	10	FECE	
CC=C1CN(C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1	2136240708	OXTWZOXSBLCOGV-AWEZNQCLSA-N	362.426	2.322	10	10	FECE	
CO[C@](C)([C@H](C)N)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	1952551504	WKQVAEIGVVKCSW-GEWABHDNSA-N	354.447	2.286	10	10	FECE	
C[C@H](N)c1ccc(N2C[C@@H]3CCS(=O)(=O)[C@H]3C2)c(Br)c1	2145072513	KJXCNOGDGYVDJW-CHIMOYNISA-N	359.289	2.092	10	10	FECE	
Nc1cc2c(cc1N1C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C1)OCCO2	2153994900	PCFJMDLUZHSLAY-WIYYLYMNSA-N	367.449	2.130	10	10	FECE	
CC[C@@H](N[C@@H]1[C@H]2CS(=O)(=O)C[C@H]21)c1cc(Br)ccc1O	2174639650	QCHVAYPXWNOGKT-CZXHOFHRSA-N	360.273	2.238	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NCCc2ccc(O)c(O)c2)C1	779000336	BCQCKNAZGONBKN-CQSZACIVSA-N	364.442	2.404	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1	2060640704	XVQZNHWOMUOREE-QWHCGFSZSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NCc1ccc(F)cc1O	2084176509	RBZKRGPXANERTA-LCGIIJARSA-N	352.406	2.302	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](CNCc2ccc(O)cc2O)C[C@H]2OCC[C@H]21	2090473711	RZBBXIGGFHGZAJ-YSVLISHTSA-N	364.442	2.354	10	10	FECE	
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-]	2218745171	LJSULGGJPISWFT-RVMXOQNASA-N	353.423	2.358	10	10	FECE	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(F)cc1	2294131051	WFJYQSWAJYUBHJ-UHFFFAOYSA-N	354.293	2.221	10	10	FECE	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NN1CCOCC1	2313681856	OYUHVGPWRYNUBB-UHFFFAOYSA-N	373.413	2.208	10	10	FECE	
Oc1ccc(F)cc1CN1CCN(C[C@@H](O)COc2ccccc2)CC1	180118260	LWBMVZOEKYBVQG-GOSISDBHSA-N	360.429	2.089	10	10	FECE	
CN(c1ccc(N)cc1)S(=O)(=O)c1nc(F)ccc1Br	2368248777	IZJMOQHFIDLEFH-UHFFFAOYSA-N	360.208	2.391	10	10	FECE	
CC(=O)Nc1cc(F)c(S(=O)(=O)NCCc2ccc(N)cc2)c(F)c1	193341823	AHQLXJSPBBCROD-UHFFFAOYSA-N	369.393	2.026	10	10	FECE	
CC[C@@H](C)NC(=O)c1cc(N2CCN(c3ccc(OC)cc3)CC2)ncn1	253444934	FKFVSHKILDDPJX-OAHLLOKOSA-N	369.469	2.340	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H]3CCOC[C@H]3C)CC2)cc1F	277454767	LAEUSEGYGYMCSP-CJNGLKHVSA-N	351.422	2.091	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CC[C@]4(C)[C@H](C3)C4(F)F)nc12	298234611	HZXNJGZTRZSWOC-BLLLJJGKSA-N	366.368	2.089	10	10	FECE	
C[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1cscn1	828497097	QILFDIIRZAMZQQ-ZDUSSCGKSA-N	356.451	2.013	10	10	FECE	
CN1CCC[C@@](O)(CC(=O)Nc2c(-c3ccccn3)nc3ccccn23)C1	908275406	PBPKHKALDBSLDE-HXUWFJFHSA-N	365.437	2.182	10	10	FECE	
CCS(=O)(=O)c1ccccc1CC(=O)NCc1cccc(OC)c1O	907059836	IBZXSVGULPOILR-UHFFFAOYSA-N	363.435	2.053	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1C[C@H]2COC[C@@H](C1)C2=O	839917632	FYKRJKXVAONZIU-MIGBEJBISA-N	358.482	2.350	10	10	FECE	
C[C@H]1CCCN(c2ccc(CNC(=O)N(CCN)CCO)cc2Cl)C1	841895846	GQTSUNHSSNPZLY-AWEZNQCLSA-N	368.909	2.039	10	10	FECE	
Cn1cc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)c(Cl)n1	856767370	LVSVOAPYRMPFNT-UHFFFAOYSA-N	352.841	2.464	10	10	FECE	
Cc1cc(CCNC(=O)N[C@H]2C[C@H](C(N)=O)C2)c(C)n1-c1ccccc1	858769213	AZFMMAOOXNPBNN-QAQDUYKDSA-N	354.454	2.200	10	10	FECE	
CCN(C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)[C@H]1CCN(C)C1	853487858	ZBQASRYYHNZQHA-APWZRJJASA-N	360.502	2.320	10	10	FECE	
Cc1noc([C@@H]2OCC[C@@H]2NCc2cccc(Br)c2O)n1	858327069	KSWDYCPAJXQOBY-WCQYABFASA-N	354.204	2.466	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H](C3CCC3)C2)c1	856174515	ZGJNODPIHPAALI-CYBMUJFWSA-N	352.456	2.416	10	10	FECE	
C[C@H](NC(=O)NC[C@H]1CS(=O)(=O)c2ccccc21)c1ccccc1O	868658563	ZMAVWFZRLSCOHW-STQMWFEESA-N	360.435	2.324	10	10	FECE	
Cc1cc(CNC(=S)N(C)Cc2ccc(N3CCOCC3)cc2)no1	865229184	WFGZEXLRFQSFNT-UHFFFAOYSA-N	360.483	2.326	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)CNC(=O)c2cccnc2)cc1	764630713	VQMGSZBTQBHUTQ-UHFFFAOYSA-N	354.454	2.316	10	10	FECE	
CCOC(=O)c1cc(NS(=O)(=O)C[C@H](OCC)C2CC2)ccc1O	863410815	LORCLTAMZAPEEJ-HNNXBMFYSA-N	357.428	2.126	10	10	FECE	
COC(=O)[C@H]1[C@H](CNC2CCN(c3ccc(OC)cc3)CC2)C1(F)F	894216919	WQCVUTOJYPIAGG-JKSUJKDBSA-N	354.397	2.308	10	10	FECE	
O=C1NCC2(CCOCC2)[C@@H]1NCc1cc(-c2ccccc2)ccc1O	895772935	MISWTICPSBOYPT-LJQANCHMSA-N	352.434	2.444	10	10	FECE	
COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c(O)c1	794380996	HKYTWBCILUGOLW-HNNXBMFYSA-N	354.406	2.379	10	10	FECE	
COc1cc(NS(=O)(=O)c2ccc(CCC(=O)O)cc2)ccc1O	797819994	AFPXQBGZDXOCQC-UHFFFAOYSA-N	351.380	2.219	10	10	FECE	
C[C@@H](C[C@H](C)NC(=O)OC(C)(C)C)NC(=O)Cc1ccc(O)c(O)c1	1143153358	YYJDMGIAGLFTBN-RYUDHWBXSA-N	352.431	2.448	10	10	FECE	
Cc1nnnn1-c1ccc(C(=O)NCc2cc(Cl)ccc2O)c(F)c1	1146233694	ZLWTTWBVFBHRCT-UHFFFAOYSA-N	361.764	2.399	10	10	FECE	
CCC[C@@H]1CCCN1C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1	1198431261	WHJVZBVBQIPCPU-UYAOXDASSA-N	361.530	2.443	10	10	FECE	
C[C@@H]1OCC[C@@]1(O)Cn1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C	1291325096	DXDYTUUSDTXGKQ-VBKZILBWSA-N	374.485	2.458	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)NCc1cccc(O)c1O	1455313442	AAOSHTTXLVWZCS-ZDUSSCGKSA-N	350.415	2.407	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CSc1nncn1C(C)C	1467840267	MWROIOINQNZIDJ-UHFFFAOYSA-N	355.460	2.459	10	10	FECE	
CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O	1465386413	AVDRUUKMRVMNMD-KGLIPLIRSA-N	366.443	2.277	10	10	FECE	
COc1c(C)[nH]cc(CN(C)C(=O)c2ccc(N=NC(N)=O)cc2)c1=O	1470681635	NUZDHUKEMUXWGT-UHFFFAOYSA-N	357.370	2.127	10	10	FECE	
COc1cccc([S@@](=O)CC(=O)NCc2cccc(Cl)c2O)c1	1472316714	DUTVYKLRFZXTAQ-QHCPKHFHSA-N	353.827	2.478	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CCC3(C2)OCCO3)cc1	1478316806	CGRLVOBMMRHCRO-OAHLLOKOSA-N	363.458	2.068	10	10	FECE	
CCn1cnnc1Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O	1547631343	WHZQGPGZFLABPU-UHFFFAOYSA-N	353.430	2.157	10	10	FECE	
CC(C)(C)OC(=O)NC1CC(CC(=O)NCc2ccc(O)cc2O)C1	1638355911	BPVPNSRKONJQHC-UHFFFAOYSA-N	350.415	2.407	10	10	FECE	
Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)NCc1cc(Cl)ccc1O	1644590626	HYJABCDKRIOZJQ-UHFFFAOYSA-N	372.805	2.071	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)N3CCC(CN=[N+]=[N-])CC3)[C@@H]21	2124511511	GUFUBPRRZLCNJQ-MELADBBJSA-N	365.434	2.170	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](CC(=O)NCc2ccccc2O)C1	1964891796	XSIHIUNRHQHORT-LSDHHAIUSA-N	364.442	2.471	10	10	FECE	
COC(=O)c1c(NC(=O)[C@H]2C[C@@H](O)CN2)sc(C)c1-c1ccc(C)cc1	1866042173	QWLOHZVGIPHJKL-ZIAGYGMSSA-N	374.462	2.480	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2ccccc2O)[C@H](CO)CC1	1921700959	DFGQNROGNCMRJA-HOTGVXAUSA-N	350.459	2.490	10	10	FECE	
CN[C@H](c1ccccc1O)C1(O)CC(NC(=O)OCc2ccccc2)C1	1921915247	REEIOVDOLYQASF-RVSXGSNBSA-N	356.422	2.473	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](CNCc2cccc(Cl)c2O)[C@@H](O)C1	702821626	ZFQXONUYYLIPAX-JSGCOSHPSA-N	356.850	2.363	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CN(CCC(=O)Nc3ccc(N)cc3)C[C@@H]2C1	2163047571	ISWYWZKJKBPBPL-GASCZTMLSA-N	374.485	2.396	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(CCCC(=O)Nc3ccc(N)cc3)C[C@@H]21	2164057395	URVRJSIQZOVONP-VQFNDLOPSA-N	374.485	2.442	10	10	FECE	
CN[C@@H](C)c1ccc(N2CC[C@@H](S(C)(=O)=O)C2)cc1Br	2179924452	CNFZNEDAQIJGRS-CMPLNLGQSA-N	361.305	2.353	10	10	FECE	
C[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1NC(=O)OC(C)(C)C	2054414933	QVCJMUKYMPGTQG-AAEUAGOBSA-N	350.415	2.473	10	10	FECE	
CO[C@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@@H]1NC(=O)OC(C)(C)C	2058769448	WLXDHRAHAPXVFV-KBPBESRZSA-N	350.419	2.025	10	10	FECE	
C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1ccccc1O	2060431248	WIESFADWFPLITL-HUBLWGQQSA-N	352.431	2.186	10	10	FECE	
CCO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NCc1ccccc1O	2060479516	OXIYXQJIDDTBFZ-CQSZACIVSA-N	352.431	2.328	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H](CCNCc2ccc(O)c(O)c2)C1	2060833662	NEFJDSSDMYQHGF-AWEZNQCLSA-N	352.431	2.213	10	10	FECE	
C[C@H](NCC1(CO)CN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1O	2081950158	YHTUHZGZHXFTEH-LBPRGKRZSA-N	354.422	2.411	10	10	FECE	
Nc1ccc(OCCN2C[C@H]3CC[C@H]2[C@@H](NC(=O)C(F)(F)F)C3)cc1	2106688858	XEGOPSDNXWCGNJ-CQDKDKBSSA-N	357.376	2.179	10	10	FECE	
CN1CCCc2cc([C@@H](N)CN3CC(NC(=O)OC(C)(C)C)C3)ccc21	2112998237	LGZKFCFLTUCXCZ-KRWDZBQOSA-N	360.502	2.278	10	10	FECE	
C[C@@H]1CC[C@H](S(C)(=O)=O)CN1c1ccc(CN)c(Br)c1	2279344065	OQVMUZGMLJMECB-MFKMUULPSA-N	361.305	2.310	10	10	FECE	
CC(C)(C)OC(=O)N1CCOCC[C@@H]1C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-]	2257620465	HKRKJYWFPGNKAB-YNEHKIRRSA-N	353.423	2.360	10	10	FECE	
Cc1cc(C=CC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c(C)n1-c1ccccc1	2299172374	FTWCOYVVXMEDFU-OALUTQOASA-N	367.449	2.256	10	10	FECE	
CSc1ncc(CN[C@]2(C(=O)O)CN(C(=O)OC(C)(C)C)[C@@H]2C)s1	2306501194	QGGZTIDACJHIMT-RFAUZJTJSA-N	373.500	2.417	10	10	FECE	
OC[C@@H](O)CN1CCCN(c2ccc(OCc3ccccc3)cc2)CC1	2336066971	BWDJMIXFBKDCSI-FQEVSTJZSA-N	356.466	2.131	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1C(=O)N1CCc2cc(O)c(O)cc2C1	2341194669	WYAUTLDXVRWNHM-KBPBESRZSA-N	362.426	2.286	10	10	FECE	
Nc1ccc(CS(=O)(=O)N2C[C@H]3C[C@H]2CN3Cc2ccccc2)cc1	310624197	CHHKNBZIBCIRFP-MOPGFXCFSA-N	357.479	2.057	10	10	FECE	
COc1ccc(N2C[C@H](NC(=O)OC(C)(C)C)CC[C@H]2C(=O)O)c(N)c1	2132281620	PVTHUOPWCFWBFH-ABAIWWIYSA-N	365.430	2.224	10	10	FECE	
Cc1ccc(N2CCCN(Cc3ccc(N4CCOCC4)cc3)CC2)nn1	93271796	NLRYPTTXYDEKHY-UHFFFAOYSA-N	367.497	2.334	10	10	FECE	
Cc1cc(Cl)cc(CNC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1O	373189985	KEDJEOUEWVQKRB-YVEFUNNKSA-N	351.834	2.164	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2ccn(-c3ccc(N)cc3)n2)C1	2162543316	VIRCHJCLNOSWIN-HDJSIYSDSA-N	371.441	2.240	10	10	FECE	
COC[C@@H](O)CNC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C	802225208	UHDGUMYSHHWDGI-KRWDZBQOSA-N	350.846	2.414	10	10	FECE	
CN(C(=O)CN(C)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)c1ccc(N)cc1	2163031009	ZHCIVOSDROIYHA-VQFNDLOPSA-N	374.485	2.029	10	10	FECE	
CC(C)OC[C@@H](O)CNCc1ccc(N2CCN(CC3CC3)CC2)cc1	819200481	OTOMRFHHQLBKAC-NRFANRHFSA-N	361.530	2.094	10	10	FECE	
COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C/C=C/c1ccc(N(C)C)cc1	835028323	GZGTUMICDRBVPL-UXKDMOBESA-N	372.465	2.191	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N[C@@H]3CCn4ccnc43)CC2)cc1	836515781	FNWGTEYHXKTQHN-QGZVFWFLSA-N	355.442	2.305	10	10	FECE	
Cn1nc(C2CC2)nc1CC(=O)NCc1cc(Br)ccc1O	843885707	JCGMYAUUUKLDEU-UHFFFAOYSA-N	365.231	2.020	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N2C[C@@H](C)Oc3ccc(OC)cc32)c1	742004628	GNLRMEJPCYUDJJ-LLPBQKLSSA-N	367.405	2.277	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)NCC[C@@H]3CNC(=O)C3)cc2)CC1	917523632	QFDXLFOYOHJFPT-KRWDZBQOSA-N	358.486	2.248	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCCc2n[nH]cc21	856212447	MIELGWKNCMCRAM-KRWDZBQOSA-N	354.454	2.107	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3ncccc3OC)C2)cc1	852375845	NTEMOZVRJJOPII-CQSZACIVSA-N	356.426	2.177	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3C=C[C@H]4C[C@@H]3CO4)C2)cc1	923189311	WQPNEFHBDHUQHK-RCJHGTSTSA-N	357.454	2.164	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3nc(C4CC4)no3)C2)cc1	851964614	CXIGMWADOIMPKZ-ZDUSSCGKSA-N	357.414	2.034	10	10	FECE	
COc1ccc(N2CCN(CCNC3CC(CF)(CF)C3)CC2)cc1	850428171	CYPLJRXFMYYJLL-UHFFFAOYSA-N	353.457	2.495	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H]1CCN(C2CCC2)C1=O	858542816	BZNXMTNFXHOAGZ-DNVCBOLYSA-N	372.513	2.445	10	10	FECE	
OCCOC1(CNCc2cc3c(cc2O)OCO3)CCC(F)(F)CC1	858236339	JIXFNILARKOEGV-UHFFFAOYSA-N	359.369	2.168	10	10	FECE	
CC(=O)N1CSC[C@@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn12	751307260	IFJTWOSUFQPHHX-CQSZACIVSA-N	367.434	2.256	10	10	FECE	
CNS(=O)(=O)C[C@@H]1CCCN(Cc2cc3c(cc2O)CCCC3)C1	863339693	FPRGGTVKPGOMNP-CQSZACIVSA-N	352.500	2.032	10	10	FECE	
CN1CCN(c2ccc(CN=c3c(Cl)c[nH]cc3[N+](=O)[O-])cc2)CC1	1167434272	FWBNFXBOAXTMAP-UHFFFAOYSA-N	361.833	2.429	10	10	FECE	
COC(=O)[C@@H]1CO[C@H](CCC(=O)NCc2ccc(N3CCCC3)cc2)C1	874001738	LSKYMXLUEONMIO-FUHWJXTLSA-N	360.454	2.261	10	10	FECE	
C[C@H](NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cn[nH]c1	778140327	BWGYOAOZPSQUSO-LBPRGKRZSA-N	374.400	2.474	10	10	FECE	
Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)NCc1ccccc1O	789563169	MVBITBYZABXLMB-UHFFFAOYSA-N	350.378	2.141	10	10	FECE	
CN(C)c1ccc(CN[C@@H]2C(=O)NCC23CCOCC3)c(C(F)(F)F)c1	895769188	NWYOHUCPCHYVLM-OAHLLOKOSA-N	371.403	2.156	10	10	FECE	
NC(=O)c1cc(F)ccc1N1CCN(Cc2cc(F)cc(F)c2O)CC1	895375445	BEQZVGYEWKCWCO-UHFFFAOYSA-N	365.355	2.231	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCc2nc(CN3CCCCC3)no2)cc1	1140594225	QQSPCWBMINBJOA-UHFFFAOYSA-N	371.401	2.148	10	10	FECE	
Cn1ncc(I)c1CNCc1c(O)cccc1F	896639413	DSOFDVZURDTSNR-UHFFFAOYSA-N	361.158	2.159	10	10	FECE	
COc1ccc(N2CCN(CCNC(=S)NCC3CCC3)CC2)cc1	1318190488	BGYYIVUIDBHDED-UHFFFAOYSA-N	362.543	2.081	10	10	FECE	
O=S1(=O)[C@H]2CC[C@H]1CN(c1ccc(CO)cc1Br)CC2	708846443	YWMPDPIIZPIJSQ-RYUDHWBXSA-N	360.273	2.097	10	10	FECE	
Cc1ccc(O)c(CNC(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)c1	1256012985	ADHJTHRAXHEXFW-CYBMUJFWSA-N	351.403	2.051	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@](CO)(C(C)C)C3)C2)cc1	1261662570	RENACKXHEZHIRK-UZLBHIALSA-N	361.486	2.324	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC1C[C@@H]2[C@@H](C1)C2(F)F	1350388248	WOPNBIRKNFVKQF-IAGOWNOFSA-N	365.424	2.491	10	10	FECE	
CCO[C@H]1COCC[C@@H]1CC(=O)N(C)CCN(C)c1ccc(OC)cc1	1527595999	QYDYYGMXBUMOKF-APWZRJJASA-N	364.486	2.422	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1C=CS(=O)(=O)C1	1543356663	MHYUSODCEAPTEU-INIZCTEOSA-N	350.484	2.438	10	10	FECE	
CNC(=O)NCCNC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C	1570585377	QPISXFPRKOUQBI-UHFFFAOYSA-N	362.861	2.335	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2124509547	WRNRPCKIQRPJOT-UONOGXRCSA-N	366.466	2.086	10	10	FECE	
C[C@@H]1CN(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)[C@H](C)CO1	161782467	OEKCGLOTPZFXAR-HUUCEWRRSA-N	368.499	2.491	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(=O)Nc3c(C)cccc3F)CC2)cc1	157090437	KFCDFGQETAFXKF-UHFFFAOYSA-N	371.412	2.430	10	10	FECE	
CC(C)(C)OC(=O)NCc1ncc(NC(=O)Cc2ccc(N)cc2)cn1	2134941633	HFVSXFJKWIINRD-UHFFFAOYSA-N	357.414	2.265	10	10	FECE	
C[C@H](c1ccc(O)cc1O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O	2136357127	HRSXDUIPDLMGLJ-BXUZGUMPSA-N	366.414	2.165	10	10	FECE	
CS(=O)(=O)C[C@@H]1CCCCN1c1ccc(CN)cc1Br	2151274051	JXACNKGNZNEIHA-LBPRGKRZSA-N	361.305	2.311	10	10	FECE	
CNCc1ccc(N(C)[C@@H](C)CCS(C)(=O)=O)c(Br)c1	2160755100	GLJGVXQDKLAAEQ-NSHDSACASA-N	363.321	2.428	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CN1CCO[C@]2(CCNC2)C1	717404494	GMLNJLJXRWWBLN-AWEZNQCLSA-N	361.667	2.372	10	10	FECE	
CN[C@H](CN1CC(CNC(=O)OC(C)(C)C)C1)c1ccc2c(c1)CCN2C	2169296864	HZWDIACPOUFTKL-GOSISDBHSA-N	374.529	2.396	10	10	FECE	
CC(C)(C)OC(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)NCc1ccccc1O	2180661173	DWPRLZSMWDUGNE-HNNXBMFYSA-N	372.425	2.094	10	10	FECE	
CCC1(NS(=O)(=O)Cc2ccc(N)cc2)CN(C(=O)OC(C)(C)C)C1	2044236570	DVPCRJPHPZUFPM-UHFFFAOYSA-N	369.487	2.088	10	10	FECE	
CC(C)(C)OC(=O)NCC1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CC(F)(F)C1	2049784423	LJJPZIITHOWADY-XYPYZODXSA-N	360.401	2.192	10	10	FECE	
CO[C@]1(CNC(=O)OC(C)(C)C)C[C@H](C(=O)N(C)CCCN=[N+]=[N-])C1	2060636851	CGCHXTSLLIHTRD-DRQUAOQDSA-N	355.439	2.465	10	10	FECE	
CN(Cc1ccccc1O)C1(CC(=O)O)CN(C(=O)OC(C)(C)C)C1	2072448372	LLUGZYVTNLLDTK-UHFFFAOYSA-N	350.415	2.288	10	10	FECE	
CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Nc1c(N)cccc1C(N)=O	2084783601	NTABTYXHYJYNFF-STQMWFEESA-N	366.487	2.131	10	10	FECE	
CN(CCOCCN(C)C(=O)OC(C)(C)C)C(=O)Cc1ccc(N)cc1	2106700608	CRFSFJIGZPFBER-UHFFFAOYSA-N	365.474	2.153	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])C1	2218743882	GYZKSCFJAQFJJQ-VXGBXAGGSA-N	353.423	2.360	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1	2288282601	ZXWIWGNLPCUSJR-ARGWCVDVSA-N	374.485	2.442	10	10	FECE	
CN1CCC[C@@H](CN(C)C(=O)C=Cc2ccc(N3CCOCC3)cc2)C1	2297583492	GLXNOYBSCNTHSZ-LJQANCHMSA-N	357.498	2.337	10	10	FECE	
COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1O	2313560297	PDYFLTWHDYHZRM-UHFFFAOYSA-N	372.377	2.371	10	10	FECE	
CN(Cc1cc([N+](=O)[O-])ccc1O)C[C@]1(O)CCN(Cc2ccccc2)C1	188325809	WBGSTTUDUBQBQM-HXUWFJFHSA-N	371.437	2.369	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc1	175697139	SWADYKAPLABFER-FXAWDEMLSA-N	374.529	2.395	10	10	FECE	
Cc1nccc(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1	122783728	YTDHDVPZEYEHSY-UHFFFAOYSA-N	365.481	2.247	10	10	FECE	
CN(C)c1ccncc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	183578243	KSWYVENGUKKRMW-UHFFFAOYSA-N	368.481	2.286	10	10	FECE	
CCN(CC)c1cnc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cn1	242851995	GAECRVXHQKFTCN-UHFFFAOYSA-N	369.469	2.294	10	10	FECE	
Cc1ccc(CN(C)C(=O)C(F)(F)CCN)c(O)c1Br	2381135498	RDFIMMGXZUOISA-UHFFFAOYSA-N	351.191	2.406	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O	808507967	LVEAMYIZTNNKES-SNVBAGLBSA-N	358.177	2.048	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1nccn1CC(C)C	807390179	WHKGVYKKIVKZEF-UHFFFAOYSA-N	372.469	2.300	10	10	FECE	
C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C1(S(C)(=O)=O)CC1	805789773	KOHXTIOFXVYWAJ-GFCCVEGCSA-N	366.483	2.036	10	10	FECE	
O=C(OC[C@H]1COCCO1)c1cccc2c1C(=O)c1ccccc1C2=O	837335864	VVUSSWCKIHVQQK-GFCCVEGCSA-N	352.342	2.034	10	10	FECE	
C[C@@H](C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@H]1CCCO1	909856563	OBIOQKRKHPQZHD-MLGOLLRUSA-N	354.397	2.233	10	10	FECE	
CN(C)c1ccc(/C=C/CNCC(=O)NCCN2CCCCCC2)cc1	835056650	WMGBMLQLGPWBSO-BQYQJAHWSA-N	358.530	2.348	10	10	FECE	
COc1cc2c(c(OC)c1)N(CC(=O)N1CCOC[C@@H]1C1CC1)CCC2	839656102	GZIFZNORYQIAFU-QGZVFWFLSA-N	360.454	2.094	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc4nc(CO)[nH]c4c3)C2)cc1	912293531	ZKBUENZQLGTDML-CQSZACIVSA-N	366.421	2.073	10	10	FECE	
O=C(O)[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1	852951233	PHXMDPOUAFCQCD-IUODEOHRSA-N	368.380	2.484	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCC(=O)c4cccn43)C2)cc1	855227137	WPIJPFORIQVDJW-KDOFPFPSSA-N	353.422	2.409	10	10	FECE	
CCC(F)(F)CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	858801141	AIQMILGWKPTLEH-CQSZACIVSA-N	368.428	2.233	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](CO)[C@H]2CCC[C@@H](OC)C2)c1	850502905	SQDVTGYHOSYVJL-YOKBYHGQSA-N	351.443	2.396	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3nc(C(C)(C)C)n[nH]3)C2)cc1	854146260	HSMLCYIEFHKPEH-CYBMUJFWSA-N	372.473	2.189	10	10	FECE	
COc1ccc(N2CCN(C(=O)COC(=O)C3[C@H]4CCCC[C@H]34)CC2)cc1	750914632	SLQXKGYFLVWBPJ-ROUUACIJSA-N	372.465	2.323	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3cc(OC)ccc3O)C2)cc1	853737001	XHCMCHWYMRDMDU-OAHLLOKOSA-N	371.437	2.488	10	10	FECE	
CCO[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	852519879	BFEVTDMVGAXTPM-KOMQPUFPSA-N	365.449	2.154	10	10	FECE	
COC(=O)C1=CC[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1	863519703	AEXWLGVOSFKSGG-ZDUSSCGKSA-N	364.785	2.072	10	10	FECE	
C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@@H](C)N1CCOCC1	896186361	HTYZSHJITCYIBX-GHMZBOCLSA-N	350.440	2.152	10	10	FECE	
COc1cc(C)cc(CNC[C@H]2CN(Cc3ccncc3)CCO2)c1O	895412645	ZSOXQFWBSZDTDV-SFHVURJKSA-N	357.454	2.095	10	10	FECE	
CCS(=O)(=O)C1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1	897585025	LFRSPOQGNYSQIQ-UHFFFAOYSA-N	369.464	2.352	10	10	FECE	
CN(C)c1ccc([C@H](CN)N2C[C@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)cc1	1881241156	MNPGRAVXTBMSMF-SYNHAJSKSA-N	360.502	2.351	10	10	FECE	
Cc1cc(O)cc(=O)n1CC(=O)N(C)Cc1ccc(N2CCCC2)cc1	1440712728	GXUHNQBKRBKKAX-UHFFFAOYSA-N	355.438	2.121	10	10	FECE	
CN(CCN(C)C(=O)[C@@H]1C[C@H]1C1CC1)C(=O)c1ccc(N=NC(N)=O)cc1	1704887992	NWCFMSITPBPULJ-JKSUJKDBSA-N	371.441	2.426	10	10	FECE	
Cc1c[nH]c(CC(N)=O)c1C(=O)N(C)Cc1ccc(N2CCCC2)cc1	1623549657	HHPXTDIMEDSVRW-UHFFFAOYSA-N	354.454	2.223	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C1	2124543296	PPRRXRVDXZAEPG-DYVFJYSZSA-N	367.450	2.297	10	10	FECE	
Cc1nc(COc2ccccc2C(=O)NCc2cccc(O)c2O)no1	1643809010	AMWFJHFHDNAYTM-UHFFFAOYSA-N	355.350	2.298	10	10	FECE	
Cc1ccc(-n2cnnc2SCC(=O)NCc2c(O)cccc2O)cc1	1645360768	IDNQULRDDZZBRF-UHFFFAOYSA-N	370.434	2.395	10	10	FECE	
C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)OC(C)(C)C	1586061668	TZWZQZLIJHKQQJ-YOEHRIQHSA-N	363.502	2.449	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCCC[C@H]2c2ncccn2)cc1	1654682921	MVLWLZDOHUHFDE-SFHVURJKSA-N	353.470	2.386	10	10	FECE	
O=C(Cc1csc(NC(=O)c2ccco2)n1)NCc1cc(O)ccc1O	1593869140	RVFHUSNDBIXTKJ-UHFFFAOYSA-N	373.390	2.259	10	10	FECE	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H](O)c2cnn(C)c2)cc1	1595385630	RWZUGMTXRLALAL-IBGZPJMESA-N	368.437	2.342	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)NCc1c(O)cccc1F	1684236664	HJNQGYANPDURRH-DGFSRKRXSA-N	365.405	2.338	10	10	FECE	
CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OC(C)=O	208079287	WJGGHXCBCXIJOR-LFIBNONCSA-N	366.373	2.472	10	10	FECE	
Cn1c2c(c3cc(Cl)ccc31)C[C@@H](C(=O)N1CCN(C=O)CC1)CC2	1858153677	QHMWMGRLCHXODA-ZDUSSCGKSA-N	359.857	2.237	10	10	FECE	
CN1CCN(c2ccc(C(=O)Nc3ccc(N)cc3)cc2[N+](=O)[O-])CC1	1866055836	LJQFJCKFFYLPQX-UHFFFAOYSA-N	355.398	2.181	10	10	FECE	
COc1ccc(N2CCN(C(=O)CNC(=O)[C@H](C)C3CCCC3)CC2)cc1	1868876368	FVULJCZHSUVVEB-MRXNPFEDSA-N	373.497	2.286	10	10	FECE	
CC(C)(C)OC(=O)N[C@](C)(C(=O)O)C1(c2ccc(O)c(O)c2O)CC1	1951965034	WAZHQKNBAFSCTC-MRXNPFEDSA-N	353.371	2.203	10	10	FECE	
CCOC(=O)[C@@]1(NCCN=[N+]=[N-])CN(Cc2ccccc2)[C@@]2(CCOC2)C1	2156294977	DUUBRWPDALPARH-OALUTQOASA-N	373.457	2.253	10	10	FECE	
CN1C(=O)[C@H](N)c2ccc(N(C)[C@H]3CCN(Cc4ccccc4)C3)cc21	381865200	MTVVWVQNJMPJOJ-FXAWDEMLSA-N	350.466	2.374	10	10	FECE	
Oc1ccc(CCNc2cncc(I)n2)cc1O	2054535526	IFFUAOKITGHHJY-UHFFFAOYSA-N	357.151	2.147	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)C12CCOC(CNC(=O)OC(C)(C)C)(C1)C2	2060637270	JDXJYTUVCGRYDK-UHFFFAOYSA-N	353.423	2.219	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2060639791	LVCOSKOTLCRWCR-JHJVBQTASA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)NC1CC(O)(C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C1	2064276701	KBLIFNAAPNGAMR-OPGSHWCFSA-N	353.423	2.096	10	10	FECE	
CN(Cc1ccccc1)[C@@]1(CNCc2ccc(O)c(O)c2O)CCOC1	2098950974	MTQRIZWLUZNNDV-HXUWFJFHSA-N	358.438	2.184	10	10	FECE	
C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N1CCc2cc(O)c(O)cc2C1	2341200849	JEVFVASYLPJJNX-GFCCVEGCSA-N	364.442	2.486	10	10	FECE	
CC1=NN(c2nnn[nH]2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	102653270	JICSPTLUWOCIQH-MDWZMJQESA-N	365.309	2.174	10	10	FECE	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/NCc1ccccc1F	100410245	DCRFRSUCDJTZPY-ZRDIBKRKSA-N	357.316	2.221	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCO[C@H](Cn3cccn3)C2)cc1	171903029	RGVNMEGRUIFVAS-IBGZPJMESA-N	371.485	2.340	10	10	FECE	
CC(=O)NCCNC(=O)CN(Cc1ccccc1O)[C@H](C)c1ccccc1	176689920	CKUVGQCMQLZRHJ-MRXNPFEDSA-N	369.465	2.208	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H](C)Oc3cccc(CO)c3)CC2)cc1	179176463	OHNBIYLHEWMIPJ-INIZCTEOSA-N	370.449	2.304	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)NCCn2ccc(O)nc2=O)c1C	1350419606	SVTDUDDTRXKGJF-UHFFFAOYSA-N	366.421	2.095	10	10	FECE	
CCCCc1ccc(N(C)C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)cc1	254967346	KPJKUOPPRZELBK-RAXLEYEMSA-N	355.438	2.103	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)[C@@H](C)c3cccnc3)CC2)cc1	266834464	KWGJVFYJBMQKOJ-KRWDZBQOSA-N	368.481	2.132	10	10	FECE	
COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cccc(O)c2O)cc1	376556286	MCOYRMVDCDKYLT-OAHLLOKOSA-N	356.378	2.350	10	10	FECE	
C[C@@H](OCC(=O)NCc1cccc(Br)c1O)c1nccn1C	807416289	BRXDDQNRUMBCBG-SNVBAGLBSA-N	368.231	2.282	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)Cc3ccc(O)nc3)cc2F)C[C@@H](C)O1	822689115	XRRBDRLXCCBYJU-OKILXGFUSA-N	373.428	2.399	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3CCN4CCC3CC4)C2)cc1	823733242	LUPJWNGGXBSUIN-MRXNPFEDSA-N	358.486	2.011	10	10	FECE	
Cc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCN2C)c(C)n1-c1ccccn1	820459431	RTZKAKYXSAONRL-RBUKOAKNSA-N	368.481	2.424	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(C(=O)O)nn1C	901710360	ISNKQQJWEYBGTK-UHFFFAOYSA-N	356.426	2.381	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)Cc1nn(C)c(=O)c2ccccc12	734405139	DQQHMHJCMPVKTJ-UHFFFAOYSA-N	364.449	2.167	10	10	FECE	
NC/C=C/CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	841779271	PKZIMZIRKDRQDD-OWOJBTEDSA-N	354.401	2.071	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(C2(O)CCOCC2)CC1	925635878	UNZZWCXAOIUEFD-UHFFFAOYSA-N	361.486	2.216	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cc(OC)c(O)c(OC)c3)C2)cc1	855234269	WDKKSQVMQFTNRN-AWEZNQCLSA-N	372.421	2.427	10	10	FECE	
CN(C)c1ccc(CNC[C@]2(OCCO)CCOC2)c(C(F)(F)F)c1	850358812	XBGGFRUYFZLBPC-MRXNPFEDSA-N	362.392	2.029	10	10	FECE	
CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccccc1O	1557967928	AWOYIYQDACNWPM-FZMZJTMJSA-N	366.414	2.026	10	10	FECE	
CN1CCCc2cc(CNC(=O)c3cn(C)nc3Br)ccc21	888578249	KDDSQHCEKWLJLN-UHFFFAOYSA-N	363.259	2.495	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3c4c[nH]nc4CC[C@H]3C)C2)cc1	880660621	QRGKLSRQQDWHDX-TYILLQQXSA-N	354.454	2.479	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)OCC(=O)c3cnn(C)n3)c2C)cc1	791536765	MJAHGVHKDAUOOZ-UHFFFAOYSA-N	368.393	2.271	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCN[C@H](Cc2ccc(F)cc2)C1	1301668126	PBQBCIDPSQVMBL-RLXIPRIJSA-N	356.397	2.293	10	10	FECE	
CCc1cccc(CNC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1O	702849147	SCPKXIXERRWLRK-HOTGVXAUSA-N	350.459	2.272	10	10	FECE	
Cc1cnc(CNC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)c1	1334839381	BWLPRSXWKIZKSB-OAHLLOKOSA-N	354.454	2.258	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)N(C)C)cc1	1289600968	XEXJNAOVJBMDRF-AEFFLSMTSA-N	374.529	2.119	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)c3ccc(O)nc3C)cc2F)CC1	1293086676	BXVIQSQJAXSHOO-UHFFFAOYSA-N	372.444	2.307	10	10	FECE	
Cc1nn(Cc2ccccc2)c(N)c1C(=O)NCc1cc(O)ccc1O	1455355580	DABYDXOXHWUPTP-UHFFFAOYSA-N	352.394	2.163	10	10	FECE	
Cc1ccc(NC(=O)C2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)nc1	1464299997	QPCTVVAQGXIWJT-UHFFFAOYSA-N	369.421	2.221	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2124538418	JLHPEGLMBHTUOV-UONOGXRCSA-N	367.450	2.296	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CC2)n1C[C@H]1NC(=O)CC1(C)C	1767112374	ZLFKFECHSIQJTQ-MRXNPFEDSA-N	369.469	2.412	10	10	FECE	
CC1=NN(c2ccccc2)C(=O)/C1=C(\C)Nc1ccc(S(N)(=O)=O)cc1	13532714	UTQRNKZIQZMZCJ-SFQUDFHCSA-N	370.434	2.443	10	10	FECE	
Cc1cc(/C=C/C(=O)N[C@H]2CCC(=O)NC2=O)c(C)n1-c1ccccc1	153274551	OOSDZUSIAQINQM-VMSUTVGLSA-N	351.406	2.029	10	10	FECE	
COc1cc(NC(=O)CNCc2cc(C)ccc2O)cc(OC)c1OC	1860720761	RZZFIMJRCWJEMJ-UHFFFAOYSA-N	360.410	2.455	10	10	FECE	
Nc1ccc(NC(=O)CN2C[C@@H]3C[C@H](C2)CN3Cc2ccccc2)cc1	2131207625	RVLGVVVWZZHMDI-XLIONFOSSA-N	350.466	2.414	10	10	FECE	
C[C@@H]1CN(C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)[C@@H]1C	2136256140	MXAKXMZEXZVGFQ-BZPMIXESSA-N	364.442	2.400	10	10	FECE	
O=C(O)[C@@H]1CCN(C(=O)OCc2ccccc2)[C@@H]1c1cc(O)nc(O)c1	1952993103	IZAZDBNKPBJQEB-CZUORRHYSA-N	358.350	2.277	10	10	FECE	
C[C@H]1Cn2[nH]c(=NCc3ccc(O)cc3O)cc2CN1C(=O)OC(C)(C)C	2149122111	NPIBUXVXUPOMJY-LBPRGKRZSA-N	374.441	2.468	10	10	FECE	
CC(C)(C)OC(=O)NCCN(CC1CC1)C(=O)c1ccc(O)c(O)c1	2054412330	GISDAGKFQIYYNK-UHFFFAOYSA-N	350.415	2.475	10	10	FECE	
CN1CCc2cc([C@H](CN)N3CCN(C(=O)OC(C)(C)C)[C@@H]4C[C@@H]43)ccc21	2194988409	NAPQJIURUJTNDU-OTWHNJEPSA-N	372.513	2.372	10	10	FECE	
CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NCc1ccc(O)c(O)c1O	2084779337	MOZSBVFQDLZGJG-YPMHNXCESA-N	370.471	2.244	10	10	FECE	
CC(C)(C)OC(=O)NCCO[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)C1	2112697796	SUHZASSNCBJYNZ-OAHLLOKOSA-N	364.446	2.416	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)[C@@H]1C1CC1	2253728052	IQFRHPNLMHGJMY-PCBIJLKTSA-N	350.459	2.288	10	10	FECE	
CC(C)(C)OC(=O)N1CC(N2CCC[C@H]2C(=O)NCCCCN=[N+]=[N-])C1	2271794004	CIURZVPHIQFGQU-AWEZNQCLSA-N	366.466	2.277	10	10	FECE	
CNC(=O)[C@@H]1CN(C(=O)C=Cc2cc(C)n(-c3ccccc3)c2C)CCO1	2308187268	WBBQKGPGWMSQTJ-IBGZPJMESA-N	367.449	2.081	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21	2315989897	VNHOMJZIYIITED-JHJVBQTASA-N	353.423	2.027	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1	2315987385	RWWUZSVGOKLCRV-UHFFFAOYSA-N	354.455	2.134	10	10	FECE	
CN[C@@H](c1ccccc1O)[C@@]1(O)C[C@H](OC)CN(C(=O)OC(C)(C)C)C1	2344434736	YUSFZEUBEPQLKL-IYJAJMOOSA-N	366.458	2.040	10	10	FECE	
CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CCN1CCOC	117486832	SFNXILKGVNAJOA-MRXNPFEDSA-N	366.481	2.144	10	10	FECE	
CN(Cc1ccccc1O)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O	182550217	UCJVIIINGFMAAB-INIZCTEOSA-N	354.410	2.124	10	10	FECE	
CCC(=O)NCCN1C(=O)/C(=C\c2cccc(OC)c2)SC1=S	49755190	OYMZZSUKEIUBNS-JLHYYAGUSA-N	350.465	2.423	10	10	FECE	
NC(=O)CCCCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	188894297	KLRZGHYAAXKEBW-CYBMUJFWSA-N	369.412	2.419	10	10	FECE	
Cc1ccn(-c2ccccc2NC(=O)C(=O)N(C)Cc2ccccc2O)n1	131441086	LBLKPMKUSRDGAI-UHFFFAOYSA-N	364.405	2.483	10	10	FECE	
CS(=O)(=O)N1CCN(C(=O)N(c2ccccc2)c2ccc(N)cc2)CC1	243682579	PHPPDJSGYGPGQQ-UHFFFAOYSA-N	374.466	2.104	10	10	FECE	
O=C(/C=C/c1cnccn1)NCc1ccc(N2CCC(CO)CC2)cc1	265642073	WLJARHXPNNIEOX-ZZXKWVIFSA-N	352.438	2.015	10	10	FECE	
O=C(NCCCSc1nccs1)N1C[C@H](O)C[C@@H]1[C@H]1CCCOC1	838513697	KRPGQHUEAMHATA-BFHYXJOUSA-N	371.528	2.197	10	10	FECE	
COC(=O)C1CCC(S(=O)(=O)NCc2ccc(N(C)C)cc2C)CC1	914119919	QXBGCGXZCQJGQA-UHFFFAOYSA-N	368.499	2.212	10	10	FECE	
COc1c(N)ncnc1NCc1ccc(N2CCN(CC3CC3)CC2)cc1	848674149	MMFOSEKOPVRFJI-UHFFFAOYSA-N	368.485	2.212	10	10	FECE	
Cc1cc(CS(=O)(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)no1	841569620	MJHOZZCQPPPLRT-ZDUSSCGKSA-N	351.472	2.408	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC[C@H]1CS(=O)(=O)c2ccccc2O1	843417323	AYKSSJQSDDPXTC-KRWDZBQOSA-N	360.479	2.386	10	10	FECE	
Cc1cc(C(N)=O)cc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	849387984	PBSCRNULBGMQIC-CYBMUJFWSA-N	361.467	2.199	10	10	FECE	
COc1c(C)ncnc1NCc1ccc(N2CCN(C(C)=O)CC2)cc1	848688732	MHIYNUNOLAMPPL-UHFFFAOYSA-N	355.442	2.074	10	10	FECE	
COC(=O)c1cc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c(C)o1	855226275	QXUGQNPKXQLGPQ-ZDUSSCGKSA-N	358.394	2.392	10	10	FECE	
O=S1(=O)CCN(c2ccc(CNCc3cc4cccnc4o3)cc2)CC1	850355858	LZMLEEUOCVTWNM-UHFFFAOYSA-N	371.462	2.352	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cc4c(cc3O)OCO4)C2)cc1	855227929	RUKDQULFFNKKFD-GFCCVEGCSA-N	356.378	2.138	10	10	FECE	
COC[C@@]1(C(=O)OC)CCCN1Cc1cc(Cl)cc(C(C)=O)c1O	852632697	DYIBKTGORYQTJW-QGZVFWFLSA-N	355.818	2.402	10	10	FECE	
c1cc(N2CCOCC2)ccc1CN1CCC(CO[C@@H]2CCNC2)CC1	863652216	ROSBEVGPDGWOGZ-OAQYLSRUSA-N	359.514	2.114	10	10	FECE	
COC[C@@H](C)OC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	867105632	RIFRTGHBCXPJPZ-CYBMUJFWSA-N	368.430	2.006	10	10	FECE	
CNS(=O)(=O)C[C@H]1CCCN(Cc2cc3c(cc2O)CCCC3)C1	863339692	FPRGGTVKPGOMNP-AWEZNQCLSA-N	352.500	2.032	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](CC)[C@@H]1CCCOC1	898459815	SAVZAPPGASQENW-SJORKVTESA-N	362.470	2.452	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2ccccc2O)C[C@@H](O)C1(C)C	1878976667	OWRDGXAUGDPXQD-KUHUBIRLSA-N	364.442	2.063	10	10	FECE	
COc1cc(OC)c(S(=O)(=O)Nc2ccc(O)c(OC)c2)c(OC)c1	797819537	LLGNDUYWUPRZBV-UHFFFAOYSA-N	369.395	2.227	10	10	FECE	
CC[C@H](C)NC(=O)c1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1	1141715436	MHFCDRHHFMXTQC-ZDUSSCGKSA-N	356.422	2.485	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](Nc2ncccn2)C1	1332086543	AJYTUGARYHIMJJ-MRXNPFEDSA-N	354.458	2.247	10	10	FECE	
CO[C@@H]1CC[C@@H]1N(C)c1nnc(-c2sccc2O)n1C[C@H]1CCOC1	1345434868	WGKZVQKAUUWZLL-MBNYWOFBSA-N	364.471	2.362	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCC2(CCC2)O1	1350526094	CPNKOQUDZJCINZ-INIZCTEOSA-N	360.454	2.349	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H](CO)[C@H]3CO)ccc21	1456054891	MKYRMQCUKGXZRC-FXAWDEMLSA-N	374.481	2.110	10	10	FECE	
CC(C)C[C@@H](CO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1471548160	QWYLGBZJXVHKOR-FUHWJXTLSA-N	350.507	2.062	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@H]1CCc2nnc(-c3ccccc3)n2C1	1471661928	HKVGPCHEMCGPPO-AWEZNQCLSA-N	364.405	2.235	10	10	FECE	
Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)NCc2ccccc2O)cn1	2124476518	GOGAKUDGGLQLBF-HNNXBMFYSA-N	360.414	2.008	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1ccc(I)cn1	1647291259	VWZYQIWWIFHBJJ-UHFFFAOYSA-N	370.146	2.027	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]1(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CCCOC1	2124510578	YFQJMRADZRNBGQ-DYVFJYSZSA-N	367.450	2.467	10	10	FECE	
COc1ccc(CNCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)cc1C	1665921220	DCQREIZWFPOBDG-HZPDHXFCSA-N	361.442	2.187	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CC[S@](=O)[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1	1773001524	ZTHWFEBPGAQJMJ-HAWPSDBISA-N	352.412	2.127	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cc[nH]c1[C@@H]1CCCNC1	169789191	UBLFZFPCYPCYFA-QGZVFWFLSA-N	368.481	2.248	10	10	FECE	
Cc1cnn(Cc2cc(C(=O)N3CCOc4cc(N(C)C)ccc43)no2)c1	154284370	KUSUOLPFLJMTFO-UHFFFAOYSA-N	367.409	2.333	10	10	FECE	
C[C@H](NCc1ccc(Br)cc1O)[C@@H]1CCCS(=O)(=O)C1	2146112299	LPEMQQPGEMRKLP-CMPLNLGQSA-N	362.289	2.458	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NCc1cc(F)cc(F)c1O	2036602425	MXMFALAOTWWBDL-BXUZGUMPSA-N	358.385	2.300	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2C[C@H]2[C@H]1CNC(=O)OC(C)(C)C	2198973571	AINDTOTUNWFOCW-DLTLXFJOSA-N	374.485	2.441	10	10	FECE	
C[C@@H](NC(=O)CCOc1ccc(N)cc1)[C@@H](C)NC(=O)OC(C)(C)C	2044202814	SROBDAAOKFEXMH-CHWSQXEVSA-N	351.447	2.456	10	10	FECE	
Oc1ccc(CCNc2nccnc2I)cc1O	2054549342	QSNVAFDSBMIFQU-UHFFFAOYSA-N	357.151	2.147	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@@H](N=[N+]=[N-])C2)OCC1(C)C	2060636435	XXPHTGVFFXUKTQ-VXGBXAGGSA-N	353.423	2.312	10	10	FECE	
COc1cc(N)c(N2CC[C@@H](NC(=O)C(F)(F)F)[C@@H](C)C2)cc1OC	2106843325	HSUCYCZOCASOPM-GXSJLCMTSA-N	361.364	2.179	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])C1	2218745917	OSWFTUBTKACRMK-FRRDWIJNSA-N	353.423	2.360	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CO)C2)cc1OC	2226799985	WEPXMEBXKMQOGH-UKRRQHHQSA-N	366.458	2.416	10	10	FECE	
Nc1ccc(CCC(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)cc1	2270601528	OGUUFDFPVNEJIT-CQSZACIVSA-N	357.376	2.261	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@]2(C(=O)NCc3ccccc3O)CO[C@H]1C2	2266186270	KDGDBAFFOLDUMI-RFUYNDQBSA-N	362.426	2.081	10	10	FECE	
O=C(O)[C@H](Cc1cnc[nH]1)N1C(=O)C(=Cc2ccccc2)SC1=S	2323714092	XMKOZRNKYYKZFU-LBPRGKRZSA-N	359.432	2.307	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@]12CCOC[C@@H]1CN(C(=O)OC(C)(C)C)C2	2337778203	SWJHJZMPNGKOTM-SUMWQHHRSA-N	367.450	2.419	10	10	FECE	
COc1ccc(N2C[C@@](O)(c3ccc([N+](=O)[O-])cc3)[N+]3=C2SCC3)cc1	22405075	YJXJSSRBMOIXFC-GOSISDBHSA-N	372.426	2.384	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)c1nccn2c(C3CC3)nnc12	302228932	XQGIWFCCCWDHQF-UHFFFAOYSA-N	364.453	2.475	10	10	FECE	
C[C@]1(C(=O)NCc2ccc(O)c(O)c2)CCCN1C(=O)c1ccccc1	182514027	JNMINTXRIYTJGH-HXUWFJFHSA-N	354.406	2.409	10	10	FECE	
CCOC(=O)/C=C/c1ccc(S(=O)(=O)NCCc2ccc(N)cc2)cc1	193340832	RVNNIOHCNPOPSZ-KPKJPENVSA-N	374.462	2.366	10	10	FECE	
COC(=O)Cn1ncc(NC(=O)NCc2ccc(N3CCCC3)cc2)c1C	194060213	PWFIOTZXRNQTTO-UHFFFAOYSA-N	371.441	2.286	10	10	FECE	
C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@H]1CCN(Cc2ccccc2)C1	2132349055	XRDHYYMMNFEUEF-ZFWWWQNUSA-N	356.422	2.444	10	10	FECE	
CN1CCC(CCNC(=O)/C=C\c2ccc(N3CCOCC3)cc2)CC1	255894503	WWYXUFLHEVHKMJ-DAXSKMNVSA-N	357.498	2.385	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccnc2[nH]cnc12	272259150	QBUXXTKQANXGTE-UHFFFAOYSA-N	351.410	2.067	10	10	FECE	
COc1cc(N2CCN(C(=O)c3n[nH]c(C)c3C)CC2)cc(OC)c1OC	274140938	DQIDJOSZZHEKII-UHFFFAOYSA-N	374.441	2.015	10	10	FECE	
CCOCc1nc([C@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2O)no1	291010565	WUUPPEPPEZDYEK-VIFPVBQESA-N	352.347	2.079	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2CCC(=O)N(C)C2)CCCC1	649753200	CZDUULNFNORQIB-CQSZACIVSA-N	369.465	2.266	10	10	FECE	
CN(CC1(S(C)(=O)=O)CCC1)c1ccc(CN)cc1Br	2167832995	PUPHSADHUDUCGN-UHFFFAOYSA-N	361.305	2.311	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CNCCC3=CCCC3)CC2)cc1	819190350	OLCCIGUXMVFULE-FQEVSTJZSA-N	359.514	2.268	10	10	FECE	
CC(C)(C)OC(=O)NCC[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1	2132417381	DAFGNZMAKSBXSG-NSHDSACASA-N	366.414	2.180	10	10	FECE	
COc1ccc(CNC(=O)C(=O)Nc2cc(F)cc(F)c2F)c(O)c1	815631854	UPLFLJJXLVQUEI-UHFFFAOYSA-N	354.284	2.073	10	10	FECE	
C[C@@](CCF)(NC(=O)NCc1ccc(N2CCSCC2)cc1)C(=O)O	908852593	WQZAPBRTHYQDDD-KRWDZBQOSA-N	369.462	2.242	10	10	FECE	
COC(=O)C1CC2(C1)CN(Cc1c(O)cccc1Cl)C[C@H]2C(=O)O	903694349	SQNLMBHGLJRFKB-FBWYHRDQSA-N	353.802	2.131	10	10	FECE	
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	911277959	YWLHHSBGSBGKIA-FHLIZLRMSA-N	360.454	2.227	10	10	FECE	
Cc1cc(O)c(CNCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c(Cl)c1	840903809	BMVLROKYFOCGPA-SYWGBEHUSA-N	360.841	2.251	10	10	FECE	
CN1CCN(c2ccc(CN3CCCC[C@@H]3[C@H]3C[C@@H](N)CCO3)cc2)CC1	844910444	IIYCCOVAADVUMS-KSEOMHKRSA-N	372.557	2.299	10	10	FECE	
COC(=O)[C@H](CNC(=O)NCc1cc(OC)ccc1O)Cc1ccccc1	918745293	JHSRKEZLIZHNNE-INIZCTEOSA-N	372.421	2.232	10	10	FECE	
COc1ccc(N2CC[C@@H](N3C(=O)N[C@@H](CC(F)(F)F)C3=O)C2)cc1	849358558	YGZLWENXLXOZNG-YPMHNXCESA-N	357.332	2.147	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@]3(OC)CCSC3)C2)cc1	923187647	ZGKUJSBYVGRIEO-RDTXWAMCSA-N	365.499	2.095	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)NC[C@@H]3COCCN3C)cc2)CC1	858204262	APOXDTQCHZWQMZ-LJQANCHMSA-N	360.502	2.053	10	10	FECE	
O=C1NCC2(CCN(C(=O)c3cc(O)cs3)CC2)Oc2ccccc21	928110175	CYBFNWHRVIDTIT-UHFFFAOYSA-N	358.419	2.251	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](CO)c3ccccc3)C2)cc1	854298946	CEYNJNFLRGQPEJ-ZWKOTPCHSA-N	369.465	2.349	10	10	FECE	
C[C@@H]1C(=O)Nc2ccccc2CN1CC(=O)NCc1ccc(N(C)C)cc1	857920215	AAVSGFVJVJSBAS-OAHLLOKOSA-N	366.465	2.212	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@@H]1CCc2cc(N)ccc21)c1ccc(N(C)C)cc1	851687200	ZMNDFDMCFCVGPO-ORAYPTAESA-N	366.465	2.316	10	10	FECE	
C[C@@H]1O[C@H](C)[C@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@H]1C	858154626	NHZZOKUNAJEMQG-UYAYXHRUSA-N	365.449	2.273	10	10	FECE	
COc1cnc(F)c(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c1	861761030	VBBWTTTUORBGBS-UHFFFAOYSA-N	373.384	2.069	10	10	FECE	
COc1cccc(-c2nc(C(=O)NCCc3ccc(O)c(O)c3)no2)c1	767775829	WCZFJVYUOMPIRY-UHFFFAOYSA-N	355.350	2.129	10	10	FECE	
COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nonc12	765027031	FMXAOBLIDMIMDH-UHFFFAOYSA-N	367.770	2.464	10	10	FECE	
Cc1ccc(C(=O)N2CC3(CC(=O)N3Cc3ccccc3)C2)c(O)c1O	871455733	VPVHZHOPDJPDSG-UHFFFAOYSA-N	352.390	2.033	10	10	FECE	
CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1	773086676	FVGSCANDDZKXAE-ZDUSSCGKSA-N	361.467	2.152	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NCC1(CC2CC2)CC1	1119472903	HHBRLVVWANVBEK-UHFFFAOYSA-N	353.466	2.376	10	10	FECE	
C[C@H](Cc1ccc(O)cc1)N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1	785441270	CUCGXMSBCOLDHU-OAHLLOKOSA-N	369.465	2.164	10	10	FECE	
CCOC(=O)[C@H](CCOC(C)(C)C)NC(=O)c1ccc(C)c(O)c1O	781017612	CPRPILYTZHXLGF-ZDUSSCGKSA-N	353.415	2.273	10	10	FECE	
CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NCCN2CCCCN=[N+]=[N-]	1879136455	CYESPPBCPVZELT-UHFFFAOYSA-N	366.466	2.278	10	10	FECE	
CN(C)CCC[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCO1	898991260	UJBGVYWGMSEJCS-CYBMUJFWSA-N	364.467	2.495	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1	1142357992	BBMWRGPUZAYHOT-ZIAGYGMSSA-N	364.442	2.450	10	10	FECE	
COC(=O)CCn1nc(C)c(NC(=O)/C=C\c2ccc(O)c(O)c2)c1C	1169030827	FXNAVGJZVNKSFD-ALCCZGGFSA-N	359.382	2.126	10	10	FECE	
CC(C)(C)OC(=O)NCCSCC(=O)NCCc1ccc(O)c(O)c1	1963688401	SYCLXUZYQSXMJX-UHFFFAOYSA-N	370.471	2.014	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)N1CC[C@H]2CC[C@@H](C2)C1	1332713872	ISFGXOOHTGBJSM-OLZOCXBDSA-N	353.513	2.390	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@@]2(C1)CC2(F)F	1332630257	GINSPUJQNHFBHK-SFHVURJKSA-N	365.424	2.359	10	10	FECE	
CCn1nnnc1NC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	1436244966	ZBGGRORDIKEXJC-UHFFFAOYSA-N	367.457	2.053	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@]3(C)CC(C)(C)OC3=O)C2)cc1	1519458261	XTDVOFOAJBIDPQ-BFUOFWGJSA-N	361.442	2.057	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H](C)OCC(C)C)CC2)c(OC)c1	1534588532	UITUCEYLTBZWJB-OAHLLOKOSA-N	350.459	2.414	10	10	FECE	
Cn1c(S)nnc1[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1	1464979907	MFKFGAQAMLBOMG-NSHDSACASA-N	373.442	2.286	10	10	FECE	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1nsnc1O	1546185174	KKVNDTTUJWPIDF-UHFFFAOYSA-N	370.381	2.244	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CC(=O)N(C(C)C)C1=O	1621009609	JLZFRMMIMQXEPT-CYBMUJFWSA-N	359.451	2.421	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccn(CC)c1C	1638029957	BVEHIIBLOZAWPK-HNNXBMFYSA-N	360.410	2.132	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N[C@H](CO)c1ccc(Br)cc1	1633260256	OWTMCZNNHPLILY-CYBMUJFWSA-N	366.211	2.253	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)NCCc2ccc(O)c(O)c2)CC1(C)C	2124193726	DIESECYEIBESIT-LJQANCHMSA-N	364.442	2.450	10	10	FECE	
COc1ccc(N2CCN(C(=O)NOC/C=C/Cl)CC2)c(OC)c1	1635890056	NUKFMOJWIMXEPW-ZZXKWVIFSA-N	355.822	2.220	10	10	FECE	
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1O	1642831262	VENBTKAMZPRPPL-AAEUAGOBSA-N	373.365	2.375	10	10	FECE	
CS(=O)(=O)c1ccc2[nH]c(=Nc3ccc([N+](=O)[O-])cc3O)sc2c1	1859857656	CJPBRFBRLADMIP-UHFFFAOYSA-N	365.392	2.479	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)=C[C@@H]1O	2131473389	FMXOZFKTYAETQG-MJBXVCDLSA-N	365.434	2.262	10	10	FECE	
CC(C)(C)OC(=O)NCC12COC(C(=O)N3CCC(N=[N+]=[N-])CC3)(C1)C2	2142246537	RQVAUSVPHUSCIA-UHFFFAOYSA-N	365.434	2.362	10	10	FECE	
CN(CC1(NC(=O)OC(C)(C)C)CC1)S(=O)(=O)Cc1ccc(N)cc1	2057943379	PAPZNGXLLGJDME-UHFFFAOYSA-N	369.487	2.088	10	10	FECE	
CN1CCc2cc([C@H](N)C3(O)CC(CNC(=O)OC(C)(C)C)C3)ccc21	2106849138	RJPAUIULVRSGFQ-RNHGABITSA-N	361.486	2.345	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)CC(=O)CN1C(=O)c2ccccc2C1=O	2210628822	AMEDSEGJKQRLHI-ZDUSSCGKSA-N	352.390	2.250	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@]2(C(=O)N3CC[C@H](CN=[N+]=[N-])C3)CO[C@H]1C2	2266112624	LIBDRZBDSNDHMJ-XREXNNHRSA-N	365.434	2.218	10	10	FECE	
CCOC(=O)CC1=NNC(=O)C1=CNc1ccc(Br)cc1	2294887247	PGWLIJMWDLRUCE-UHFFFAOYSA-N	352.188	2.184	10	10	FECE	
CN1CCC[C@@H]2CN(C(=O)C=Cc3ccc(N4CCOCC4)cc3)CC[C@@H]21	2300813281	MFJOLVBXBISXKJ-CTNGQTDRSA-N	369.509	2.479	10	10	FECE	
Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)C=Cc2ccc(O)c(O)c2)cn1	2307990087	XAUIWASDXVOOLD-HNNXBMFYSA-N	355.394	2.109	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@@]3(O)C[C@@H]4[C@H]3CCN4C(=O)OC(C)(C)C)ccc21	2354610048	WACONZKNFSVWQO-QTQZEZTPSA-N	373.497	2.439	10	10	FECE	
CNC(=O)c1ccc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)nn1	74741848	DIYBUAJSQFBTMM-CHWSQXEVSA-N	373.432	2.201	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N(CCO)CC(F)F	195086447	JEJSXORTWLZZBF-UHFFFAOYSA-N	359.442	2.009	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCOC3(CCOCC3)C2)c([N+](=O)[O-])c1	268930752	CBARNCRHYQUXPB-HWKANZROSA-N	362.382	2.167	10	10	FECE	
CCn1nccc1CCN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	284293958	GHFFFTXFTUUYLV-UHFFFAOYSA-N	374.485	2.294	10	10	FECE	
COC(=O)[C@@H]1[C@H]2CN(CC(=O)c3cc(C)n(-c4ccc(F)cn4)c3C)C[C@H]21	829998179	GOSQUAPLYSNDLU-MNZLEMJZSA-N	371.412	2.162	10	10	FECE	
CCOC(=O)C[C@@H](CO)NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C	820055418	YBJSEZCKRIDSMJ-HNNXBMFYSA-N	374.437	2.147	10	10	FECE	
CN1CCC2(CC1)CN(C(=O)NCc1ccc(N3CCCC3)cc1)CCO2	825769746	CRDPDUAFCDIRSG-UHFFFAOYSA-N	372.513	2.293	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F	901055236	KRXOJKRZLKAGRS-WBVHZDCISA-N	369.339	2.162	10	10	FECE	
Fc1cc(CNCc2cn3cccnc3n2)cc(F)c1N1CCOCC1	839143723	BJTANQVZNMZZFL-UHFFFAOYSA-N	359.380	2.134	10	10	FECE	
O=C(O)/C=C\c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)o1	911210348	UGYGRLGZZHAYPJ-VURMDHGXSA-N	356.378	2.144	10	10	FECE	
Cc1ccc(O[C@H]2CCN(CC(=O)NCc3ccc(N(C)C)cc3)C2)nc1	858036531	IJBICKCOLJMLCQ-IBGZPJMESA-N	368.481	2.226	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1	750663346	SJAOEFBGVPHYOD-KYJSFNMBSA-N	358.486	2.293	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cccc(-n4ccnn4)c3)C2)cc1	855234285	WIQASOGZCPGIJP-INIZCTEOSA-N	363.421	2.285	10	10	FECE	
CCC1(N2CCOCC2)CCN(Cc2cc(OC)c(OC)cc2O)CC1	862535965	ARCYBTFZPRVDPK-UHFFFAOYSA-N	364.486	2.486	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)c1cnc2c(c1)NC(=O)CN2C	860048763	CYZCQGRHYUTCOG-UHFFFAOYSA-N	354.410	2.228	10	10	FECE	
C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCOC1)c1ccccc1O	1877547832	FCUDJNNZFVAFTP-WOSRLPQWSA-N	364.442	2.499	10	10	FECE	
C[C@@H](NC(=O)C(=O)NC1CCC2(CC1)COC2)c1ccc(N(C)C)cc1	897864736	AAPVZXNOWHOSSX-CQSZACIVSA-N	359.470	2.005	10	10	FECE	
COC(=O)C1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCSCC1	1138669706	ZUIPFZWQRLLCLU-UHFFFAOYSA-N	350.400	2.018	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)C[C@H](C)n3cccc3)cc2)CC1	786659429	KRDHSXIXJSABHT-KRWDZBQOSA-N	368.481	2.424	10	10	FECE	
CCn1cc(S(=O)(=O)NCc2cc(Br)ccc2O)nc1C	796190400	HAWVWTJTLVCYGZ-UHFFFAOYSA-N	374.260	2.158	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)C(F)(F)C1CCOCC1	790490228	MKXMWBXGPIPXPE-UHFFFAOYSA-N	354.397	2.201	10	10	FECE	
Cc1ccc(NC(=O)N2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)cc1	1444007268	YDIKZBYYIAAHST-UHFFFAOYSA-N	369.421	2.325	10	10	FECE	
C[C@@H]1CCc2[nH]nc(C(=O)NCc3ccc(N4CCOCC4)cc3)c2C1	1543818151	ZETUFTGRRIGFLN-CQSZACIVSA-N	354.454	2.301	10	10	FECE	
NC(=O)C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(Cl)cc1	1629321895	POHURTNLCNPMMF-UCEWNTHNSA-N	360.797	2.497	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@@H]1CCCN1c1ncnc2sccc12	1644752528	JIKUOQJMVHJARR-AWEZNQCLSA-N	370.434	2.388	10	10	FECE	
COC1(c2nccn2C)CCN(Cc2ccc(N3CCOCC3)cc2)CC1	1648213883	HETYYSOIRYYVMQ-UHFFFAOYSA-N	370.497	2.394	10	10	FECE	
O=S1(=O)N=C(Cl)c2ccc(NCCc3ccc(O)c(O)c3)cc21	1655217112	PFVNLTOFDMTOAS-UHFFFAOYSA-N	352.799	2.440	10	10	FECE	
CC(C)(C)OC(=O)N1CCn2nc(NC(=O)c3cccc(O)c3O)cc2C1	1636215960	BMPLETWAZIAXEQ-UHFFFAOYSA-N	374.397	2.297	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](O)(C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C1	2126934379	TZGXVQPZWWJDJP-DYVFJYSZSA-N	367.450	2.440	10	10	FECE	
OC[C@@H]1CO[C@@H](CNCc2cc(Cl)cc(Br)c2O)C1	1966088393	PRSLZOXGLQEVTD-LDYMZIIASA-N	350.640	2.295	10	10	FECE	
COc1ccc(C(C)=O)cc1NC(=O)CN1C(=O)[C@H](C)SC1=S	11635507	XJABYXPQMZXBSZ-VIFPVBQESA-N	352.437	2.085	10	10	FECE	
CCOc1ccc(/C=C2/SC(=S)N(CCNC(C)=O)C2=O)cc1	1858587235	QYIWVMFWRHADHQ-GXDHUFHOSA-N	350.465	2.423	10	10	FECE	
COc1ccc(N2CCN(C(=O)CCc3nnc4ccccn34)CC2)cc1	1860389478	OMXHFORIHCQKIT-UHFFFAOYSA-N	365.437	2.019	10	10	FECE	
Cc1ccc(=O)n([C@@H](C)C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)n1	1889996036	ZJBUGTWJMYDKPE-IEZWGBDMSA-N	366.465	2.418	10	10	FECE	
Cc1cccc(CNC(=O)C[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1O	2139761177	WMVUKBKAGVXCHH-LSDHHAIUSA-N	364.442	2.247	10	10	FECE	
C[C@H](N)c1ccc(N2CCS(=O)(=O)C(C)(C)C2)cc1Br	2170280393	RNUKHRWICGGLIT-JTQLQIEISA-N	361.305	2.482	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H]2C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1	2049784822	RDDYZBHPNPWRGT-FORMXFIPSA-N	350.459	2.289	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1cccs1)C(=O)C(=O)C[C@H]1C[C@H](N)C1	2052245103	BGHAYDYWLDVOJC-YRGRVCCFSA-N	366.483	2.450	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N[C@@H](C)c1c(O)cccc1O	2058679589	JKVBAIBZKXNPMW-SLEUVZQESA-N	352.431	2.383	10	10	FECE	
C[C@@H]1COC[C@@H](C(=O)N2CCC[C@H](N=[N+]=[N-])C2)N1C(=O)OC(C)(C)C	2060618871	FLXVSNKPHWTVQZ-AGIUHOORSA-N	353.423	2.312	10	10	FECE	
CO[C@H]1C[C@H](C(=O)N2CCC(N=[N+]=[N-])CC2)N(C(=O)OC(C)(C)C)C1	2060613067	NCQZXRIEEHTZPB-QWHCGFSZSA-N	353.423	2.312	10	10	FECE	
C[C@H]1CN(C(=O)COc2ccc(N)cc2)CC[C@H]1NC(=O)OC(C)(C)C	2106769072	VIYQLVZAPJYRNX-XJKSGUPXSA-N	363.458	2.409	10	10	FECE	
Nc1ccc(CCC(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)cc1	2106236779	FXCPEYQJIDIXLV-ZDUSSCGKSA-N	357.376	2.119	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN(CC(=O)Nc1ccc(N)cc1)C2	2106769496	VQWXVHJEDURNPR-BBRMVZONSA-N	360.458	2.149	10	10	FECE	
CN[C@@H](CN1CC(CNC(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	2113003903	TWUNDHCPVLTPOD-SFHVURJKSA-N	362.518	2.470	10	10	FECE	
Cc1cccc(CNC(=O)[C@H]2CC[C@H](C(=O)O)N2Cc2ccccc2)c1O	2204611380	VGVLWDNYFUXDKU-QZTJIDSGSA-N	368.433	2.435	10	10	FECE	
COc1ccc(Br)c(CNCCCC[S@](C)=O)c1O	2227738941	XXMNFVUYOGBZEN-IBGZPJMESA-N	350.278	2.412	10	10	FECE	
CCN1CCc2cc(N(C)CC3(O)CN(C(=O)OC(C)(C)C)C3)ccc21	2271680473	UTODQNOMJDPIAR-UHFFFAOYSA-N	361.486	2.487	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@H]1N(CC(=O)Nc1ccc(N)cc1)C2	2331523957	BZFPBDDQJGQMMB-VMGRFDJRSA-N	360.458	2.195	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)c1	111646881	YVWDWYSZRMTEJL-UKRRQHHQSA-N	360.435	2.297	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC[C@@H](CNC(C)=O)C2)c([N+](=O)[O-])c1	67385084	LSOXEAYILDLBJO-VFADXPBXSA-N	361.398	2.134	10	10	FECE	
Cc1cc(C(=O)Nc2ccn(CCC(N)=O)n2)c(C)n1-c1ccccc1	117832904	NUSOZEJKACKIFW-UHFFFAOYSA-N	351.410	2.418	10	10	FECE	
COC(=O)[C@@H](Cc1ccccc1)NC(=O)CN(C)c1ccc(OC)c(F)c1	177067852	RCZFSJFTTZYIQC-QGZVFWFLSA-N	374.412	2.171	10	10	FECE	
Cc1cccn(CC(=O)NCc2ccc(N3CCSCC3)cc2)c1=O	180794656	GRQVOMOSYMLMAY-UHFFFAOYSA-N	357.479	2.026	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)NC[C@H]1CCCC[C@H]1O	77780370	JKQYZELDOBRCRD-CRAIPNDOSA-N	365.449	2.013	10	10	FECE	
COc1ccc(O)c([C@@H](C)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)c1	186327698	ZSMDWPUKXOYELA-CJNGLKHVSA-N	358.442	2.289	10	10	FECE	
COC(=O)CCCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S	40938512	HJVYARQIUWHKBL-SEYXRHQNSA-N	362.432	2.163	10	10	FECE	
COC(=O)CCN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S	98031552	PHYVBVOYMYVMRF-DHZHZOJOSA-N	352.393	2.359	10	10	FECE	
OCCn1nccc1C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1	92811203	YARBONOTTSMZGW-UHFFFAOYSA-N	370.497	2.092	10	10	FECE	
C[C@@H]1CN(Cc2cc(Br)ccc2O)C[C@H]1N1CCOCC1	245689381	BDBUCASWGVFBKW-IUODEOHRSA-N	355.276	2.307	10	10	FECE	
O=C1N[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CS1	266939351	UWAHNVALRZCADB-ZWNOBZJWSA-N	371.409	2.198	10	10	FECE	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H](O)c2ccccn2)cc1	279149490	FCAJFOUWKVOTDT-QUCCMNQESA-N	369.465	2.389	10	10	FECE	
CCC(=O)N1CSC[C@H]1C(=O)NCc1cccc(Br)c1O	277550780	OFTVSZLBGRBQMH-NSHDSACASA-N	373.272	2.082	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3ncoc3C3CC3)CC2)cc1	293173433	GQZNPPZVPHJKAO-UHFFFAOYSA-N	370.453	2.113	10	10	FECE	
O=[N+]([O-])c1cc(Br)cc([C@@H](C2CC2)N2CCNCC2)c1O	575273894	RUISTQKGKUREIP-CYBMUJFWSA-N	356.220	2.419	10	10	FECE	
C[C@@H](NCc1cc2c(cc1O)OCO2)c1cccc(NS(C)(=O)=O)c1	725849771	XJTKFEAYGXXFJZ-LLVKDONJSA-N	364.423	2.343	10	10	FECE	
O=C(c1ccn2nccc2n1)N(Cc1ccccc1O)C[C@H]1CCCO1	901174166	CSWFIRUTYUJQST-OAHLLOKOSA-N	352.394	2.256	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)NCC3(C)COC3)cc2F)C[C@@H](C)O1	732994331	XUNGVEWLRBGOBM-OKILXGFUSA-N	365.449	2.275	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C[C@]2(O)CCCN(C)C2)cc1F	900636631	KZFMURXTTDTRQV-LJQANCHMSA-N	351.466	2.135	10	10	FECE	
COc1cc(N2CCN(C(=O)NCC[C@H](C)F)CC2)cc(OC)c1OC	836482906	WQJIKFVPERAIKN-ZDUSSCGKSA-N	369.437	2.292	10	10	FECE	
CCc1cc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)no1	839634365	PNJJGPYQFYYXOQ-ZDUSSCGKSA-N	358.442	2.297	10	10	FECE	
Nc1c(C(=O)OC[C@@H]2CCOC2)ccc2c1C(=O)c1ccccc1C2=O	918848400	YKGQBVICCXRWIJ-LLVKDONJSA-N	351.358	2.238	10	10	FECE	
COCC1(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1	847291014	GGYNXZZBSLKMDQ-UHFFFAOYSA-N	365.449	2.013	10	10	FECE	
Cc1ccc(OC[C@@H](O)CNCc2ccc(N3CCC(O)CC3)cc2)cc1	853122405	QDEPSTZCNWFJOP-NRFANRHFSA-N	370.493	2.486	10	10	FECE	
Cc1ccc(C(=O)N2CC3(CNC(=O)O3)C2)cc1-n1c(C)cc(C=O)c1C	862019554	APLIZBZVICRFHM-UHFFFAOYSA-N	367.405	2.149	10	10	FECE	
CC[S@](C)(=O)=NS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	866559345	FUIHKKJRBYWRQK-QFIPXVFZSA-N	359.517	2.080	10	10	FECE	
Cc1ccc(C(=O)NC[C@@H](O)[C@@H]2CCCO2)cc1-n1c(C)cc(C=O)c1C	862655953	XNXAAJNCWJKTGP-UXHICEINSA-N	370.449	2.485	10	10	FECE	
CCOC(=O)c1cccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)O)c1	776434919	QNIGVUVPFRJNEK-UHFFFAOYSA-N	365.363	2.068	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@@H]1c1ccccc1	1118005220	DLAPGDUYGUTQKX-IKGGRYGDSA-N	369.417	2.492	10	10	FECE	
COc1cccc(CNC(=O)C(=O)Nc2cc(C)n([C@H](C)C3CC3)n2)c1O	784713431	DVBAUEPLLIREFV-GFCCVEGCSA-N	372.425	2.132	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cc3ccc([S@@](C)=O)cc3)CC2)cc1	797789338	FPPZTRPHDRMVQW-AREMUKBSSA-N	372.490	2.324	10	10	FECE	
COC(=O)[C@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(O)c1	792181944	WPDVTBARKVVQNV-LJQANCHMSA-N	356.422	2.233	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CO1	1304391052	SJDHXYKPAKDNBG-LBPRGKRZSA-N	363.374	2.130	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2c(C)nn(C)c2C)cc1	1319467918	KLGJZGWXLRWKHA-UHFFFAOYSA-N	371.485	2.480	10	10	FECE	
COc1ccc(CN[C@@H](C)CN(C)C(=O)[C@@H]2C[C@H]2c2cncn2C)cc1C	1277937222	BMNUTXJBESMRRA-CGTJXYLNSA-N	370.497	2.477	10	10	FECE	
NC(=O)N[C@H](CC(=O)NCc1ccc2cccnc2c1O)c1cccs1	1299721390	JBRNMCWFENRIKL-CYBMUJFWSA-N	370.434	2.418	10	10	FECE	
Cc1cc(Cn2nnc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)c2C)no1	1537679964	PEJWFHZFSWGDED-CYBMUJFWSA-N	368.441	2.488	10	10	FECE	
CN[C@H](c1ccc(N(C)C)cc1)c1nn(C)cc1I	2121159969	ARGBUMFJTAGMSG-CYBMUJFWSA-N	370.238	2.400	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NC[C@@](O)(c1ccccc1)C(F)(F)F	1618658720	RQJWSSFJNNMXLW-MRXNPFEDSA-N	355.312	2.207	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc2nc[nH]c12	1544677136	QLPFRLCKZWIMLD-UHFFFAOYSA-N	354.385	2.469	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCN1CSCCSC1	1556158231	VLIHHKXEMMQYNO-LBPRGKRZSA-N	356.513	2.232	10	10	FECE	
CCS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(O)cc2O)cc1	1557084696	KRUNUTSKFZRRDB-UHFFFAOYSA-N	363.435	2.140	10	10	FECE	
CC(C)CC[C@H](CO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1565452606	HQXMEYBHCYALGE-MJGOQNOKSA-N	364.534	2.452	10	10	FECE	
C[C@@H](NCC(=O)NC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1O	1644183522	OLVLYMNNLLORHN-LLVKDONJSA-N	357.366	2.120	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2124509481	NPABPXSFJUNTHW-MJBXVCDLSA-N	367.450	2.296	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(=O)N2CCC(CN=[N+]=[N-])CC2)CO1	2124505088	HJOMQMBYVRFLTP-UONOGXRCSA-N	367.450	2.465	10	10	FECE	
O=C(NCc1cc(O)ccc1O)C1CCN(C(=O)c2ccccc2)CC1	1651222827	QGIWJXHXMLXHHJ-UHFFFAOYSA-N	354.406	2.266	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCCN(C(=O)c2ccsc2)CC1	1596964590	PKWIPOWJNQJXFH-UHFFFAOYSA-N	360.435	2.077	10	10	FECE	
COC(=O)c1nc(CNC(=O)N2Cc3cccc(O)c3C2)ccc1Cl	1682594963	HZCBKAXGNIJLJM-UHFFFAOYSA-N	361.785	2.453	10	10	FECE	
CN[C@@H]1C(=O)Nc2cc(N3CCC[C@](C)(O)C3)c(Br)cc21	163266344	RMCPBWOULWYMOG-ZFWWWQNUSA-N	354.248	2.013	10	10	FECE	
C[C@@H](c1ccccc1)N1C[C@H](C(=O)NCCc2ccc(O)c(O)c2)CC1=O	157821457	CYUZBAIRNXLOGN-WMLDXEAASA-N	368.433	2.366	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1NC(=O)CCOc1ccc(N)cc1	2128653271	VMPBVYNZZXNNFF-BBRMVZONSA-N	363.458	2.457	10	10	FECE	
COc1cccc(O)c1CNC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C	1971625986	XAUNSNSTFLJDEG-AWEZNQCLSA-N	365.474	2.042	10	10	FECE	
C[C@@H](NCc1cc(Br)cc(F)c1O)[C@@H]1CCS(=O)(=O)C1	2146102825	IVBFGTOMCVHUDZ-RKDXNWHRSA-N	366.252	2.207	10	10	FECE	
COc1cc(Cl)cc(CNC[C@H](O)CNC(=O)OC(C)(C)C)c1O	2011422295	IBEMJFZXTFQWLT-LBPRGKRZSA-N	360.838	2.029	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H](CNCc2cccc(O)c2O)C1	2040715459	AFBVUEOZBGFLSR-CYBMUJFWSA-N	352.431	2.071	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1	2163047084	DQSHFHHVLCDUPN-SOUVJXGZSA-N	374.485	2.395	10	10	FECE	
CO[C@@H](C)[C@H](CC(=O)NCc1ccccc1O)NC(=O)OC(C)(C)C	2060048433	LTDVUOOUVHAQFC-JSGCOSHPSA-N	352.431	2.327	10	10	FECE	
C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	2069845697	RUMZKZSPCUEFIX-IINYFYTJSA-N	356.394	2.008	10	10	FECE	
CN[C@H](c1ccccc1O)[C@@H](O)C1(NC(=O)OC(C)(C)C)CCOCC1	2341444286	AMIOMEWMOILTMB-HZPDHXFCSA-N	366.458	2.088	10	10	FECE	
COc1ccc(N2CCN([C@@H]3C(=O)c4ccccc4N3C(C)=O)CC2)cc1	20579829	NFMHUMQHRGPLCH-NRFANRHFSA-N	365.433	2.393	10	10	FECE	
Cc1ccc2[nH]c(=O)c(/C=C3/SC(=S)N(CC(=O)O)C3=O)cc2c1	38160436	OIWFAZSHCOALDX-WUXMJOGZSA-N	360.416	2.122	10	10	FECE	
COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cccc(OC)c1O	33932028	CRCKWLVYOOEKTK-GWQWUEFDSA-N	373.405	2.252	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)NCC1(CCO)CCC1	133624119	PYZKNZXTQZYYRA-UHFFFAOYSA-N	365.449	2.014	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)[C@@]23[C@@H]4[C@H]5C(=O)[C@H]2[C@@H]2[C@@H]5C[C@@H]4[C@@H]23)cc1	800433374	RKFFWXOYNNAQGD-RAOPKFBCSA-N	350.462	2.476	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N[C@H]2CCC(=O)N(C)C2)CCCC1	649753199	CZDUULNFNORQIB-AWEZNQCLSA-N	369.465	2.266	10	10	FECE	
COc1cc(N2CCN(c3ncnc(C)c3OC)CC2)cc(OC)c1OC	848679569	SKGSOLDGZCSOBE-UHFFFAOYSA-N	374.441	2.146	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccnn2C2CCCC2)cc1F	746794106	RLVDFJPOXYGPPT-UHFFFAOYSA-N	373.432	2.458	10	10	FECE	
Cc1ccc(CN(CC2CC2)C(=O)C(=O)NCCc2ccc(N)cc2)cn1	843265597	TYIRMVHYMITKSH-UHFFFAOYSA-N	366.465	2.070	10	10	FECE	
O=S1(=O)CC[C@]2(CN(Cc3cc(Cl)cc(Cl)c3O)CCO2)C1	843425966	LSWZIJASFURQBF-AWEZNQCLSA-N	366.266	2.089	10	10	FECE	
C[C@@H](CCO)N(C)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	845085627	HMKFKGZCTNREER-KRWDZBQOSA-N	374.529	2.131	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1cccnc1F	852293765	QOHUOXIPQMHBKR-UHFFFAOYSA-N	358.417	2.181	10	10	FECE	
NC1(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC2(CCC2)C1	852859970	GHLWNKMEXLDOMA-UHFFFAOYSA-N	361.461	2.065	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccnn2[C@@H](C)C2CC2)c1	760223211	SGAHTGPFRHPCBT-RYUDHWBXSA-N	372.425	2.384	10	10	FECE	
Cc1cc(CNC(=O)[C@H](O)Cc2cnn(C)c2)c(C)n1-c1ccccc1	863164831	WERYWTZSYCBNGC-LJQANCHMSA-N	352.438	2.047	10	10	FECE	
CCCC[C@@H](NC(=O)NCC)C(=O)N[C@@H](C)c1cc(OC)ccc1O	761972193	GZHLKKGGYRAJKD-SWLSCSKDSA-N	351.447	2.456	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)N3CC[C@H](C(C)C)C3)CC2)cc1	1117198296	JSLKJTDQBOBBGK-INIZCTEOSA-N	373.497	2.285	10	10	FECE	
COc1cccc(CNC(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)c1O	772465324	VSCROPABLLTNHR-CQSZACIVSA-N	355.394	2.326	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1csc(-c2ncccn2)n1	773767759	ODGXRYJWLLUNAT-SNVBAGLBSA-N	356.407	2.372	10	10	FECE	
CCc1cnccc1C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	776232651	SRBFTXSODZJXNN-UHFFFAOYSA-N	368.481	2.205	10	10	FECE	
CN1CCc2cc([C@H](CN)N3CCN(C(=O)OC(C)(C)C)CC3)ccc21	1880612485	BJGOQIPCFSKEIB-SFHVURJKSA-N	360.502	2.231	10	10	FECE	
C[C@H](NC(=O)c1cc(Cl)sc1S(N)(=O)=O)c1ccccc1O	1151900856	WEMZVVIJBYNJMV-ZETCQYMHSA-N	360.844	2.246	10	10	FECE	
CN1CCc2cc([C@H](N)[C@@H](O)[C@@H]3CCCN3C(=O)OC(C)(C)C)ccc21	1892266862	NYTULLNDCJGEHU-BZSNNMDCSA-N	361.486	2.439	10	10	FECE	
C[C@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccc(F)cc1O	702763078	LWICEPZIKYKSOO-OZVIIMIRSA-N	354.422	2.410	10	10	FECE	
COc1ccc(O)c([C@@H](C)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)c1	1337786319	WAUFOMPPOHBMOR-ODXCJYRJSA-N	369.421	2.306	10	10	FECE	
CCc1cc(C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)n(C)n1	1435073744	GVFCBPRIEJYNPI-UHFFFAOYSA-N	373.476	2.194	10	10	FECE	
C[C@@H](Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O)N1CCOCC1	1510028534	NSEVLHFSXOWJBG-HNNXBMFYSA-N	371.485	2.218	10	10	FECE	
NC(=O)C1CCN(/N=N/c2ccc(I)cc2)CC1	1860490980	FZCULFJWLRFOKQ-FOCLMDBBSA-N	358.183	2.487	10	10	FECE	
COC(=O)c1cc(CNC(=O)c2cc3cc(O)c(O)cc3s2)ccn1	1454220357	MGUGYUMIJAFVNE-UHFFFAOYSA-N	358.375	2.424	10	10	FECE	
CCOC(=O)[C@H]1CCCN(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1	1567776988	FWHZDHQPTLUBNX-WBVHZDCISA-N	361.486	2.205	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)C3(C)CCC(=O)CC3)cc2)CC1	1632950741	WGLLIVFAJGQCTJ-UHFFFAOYSA-N	371.481	2.121	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCc2ccccc2Cn2cncn2)cc1	1568020872	JDHXYQMFHKAENW-UHFFFAOYSA-N	363.381	2.419	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Oc2cccc3c2OCCC3)c1	1639938624	ATSJISAKVDAEFF-UHFFFAOYSA-N	363.391	2.308	10	10	FECE	
CC(C)(C)OC(=O)NCC1CCN(CC(=O)N2CC[C@H](N=[N+]=[N-])C2)CC1	2124531094	BKCUDINIZGMFJJ-AWEZNQCLSA-N	366.466	2.134	10	10	FECE	
COc1ccc(N2CCN([C@@H]3C[C@@H]4CCCC[C@@H]4NC3=O)CC2)c(OC)c1	1654564718	NLMWCKSZBCDCLA-VDZJLULYSA-N	373.497	2.273	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CCC(O)(c3ccnn3C)CC2)c1O	1654685802	PAMXMUSLGHHQLU-UHFFFAOYSA-N	363.845	2.465	10	10	FECE	
CC[C@H](C)[C@H](O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1685682077	RXHKYPAQGLQPBW-JCGIZDLHSA-N	350.507	2.062	10	10	FECE	
CNC(=O)c1cccc(CCC(=O)N2CCOc3cc(N(C)C)ccc32)c1	158874853	HKIQSNWLBHJEHR-UHFFFAOYSA-N	367.449	2.470	10	10	FECE	
COC(=O)[C@H](C)N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S	6097241	LSNZFUJBLJCVRO-LBTPYSACSA-N	352.393	2.358	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CNC(=O)c1cccnc1	159459435	YRHVYFNMUVTCFY-UHFFFAOYSA-N	366.465	2.460	10	10	FECE	
CN1CCN(c2ccc(CNCc3cc(N(C)C)ccn3)cc2F)CC1	1119678368	BNLRQGJGDFNUJU-UHFFFAOYSA-N	357.477	2.328	10	10	FECE	
COc1ccc(CNC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)cc1C	1913938706	XVPVJGINOMGJOB-UHFFFAOYSA-N	350.415	2.167	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)N3CC[C@@H](CN=[N+]=[N-])C3)O2)C1	2140444941	LTBQJTNSDVQSRH-QWHCGFSZSA-N	365.434	2.314	10	10	FECE	
COc1cc([C@@H](CNC(=O)OCc2ccccc2)C(=O)O)cc(O)c1O	1951727265	ZEDWKZRGLWSRHR-CYBMUJFWSA-N	361.350	2.201	10	10	FECE	
Nc1cc2c(cc1N1C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C1)OCCO2	2153994898	PCFJMDLUZHSLAY-NQIIRXRSSA-N	367.449	2.130	10	10	FECE	
CN[C@H](C)c1ccc(N2CC[C@H](S(C)(=O)=O)C2)cc1Br	2179924454	CNFZNEDAQIJGRS-PWSUYJOCSA-N	361.305	2.353	10	10	FECE	
C[C@H]1[C@H](C)S(=O)(=O)CCN1c1ccc([C@@H](C)N)c(Br)c1	2170273550	IHKOAJUCHQPGPL-VWYCJHECSA-N	361.305	2.481	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(CNCc2c(O)cccc2F)CC1	2042600828	CTQYKBOHOHIVBJ-UHFFFAOYSA-N	354.422	2.383	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N(C)CCN(C)C(=O)OC(C)(C)C	2044594521	RGHJMXVSSDBLSY-CYBMUJFWSA-N	350.463	2.395	10	10	FECE	
COc1ccc(N2CCO[C@H](CN(C)C(=O)OC(C)(C)C)C2)c(N)c1	2044731937	VZZZEDLTSDZAMV-CQSZACIVSA-N	351.447	2.350	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)C(=O)C[C@H]3C[C@H](N)C3)CCC[C@@H]12	2049786427	MCHOPFMANBVLMX-XXZHDZSNSA-N	350.459	2.432	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2060633049	JDRHOWSJFPTJEV-JHJVBQTASA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@H](N=[N+]=[N-])C1)[C@H](O)C(C)(C)C	2072691515	ZRXRQUAFNPAYIV-WOPDTQHZSA-N	355.439	2.198	10	10	FECE	
C[C@H]1CN(CCC(=O)Nc2ccc(N)cc2)C[C@H]1NC(=O)OC(C)(C)C	2106661272	BPOXOGPXMQCNQE-XJKSGUPXSA-N	362.474	2.442	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)[C@@H](CN(C)C)NC(=O)OC(C)(C)C	2106857438	KUPRBOBUPGRAAL-SJLPKXTDSA-N	362.518	2.394	10	10	FECE	
COc1cc(N)c(N2C[C@@H](C)C[C@H](NC(=O)C(F)(F)F)C2)cc1OC	2106843262	HJNFVICURQTAHZ-UWVGGRQHSA-N	361.364	2.179	10	10	FECE	
CN[C@H](c1ccccc1O)[C@H]1Cn2cnnc2CN1C(=O)OC(C)(C)C	2090042553	MRGGJEQHWGWVRS-CZUORRHYSA-N	359.430	2.064	10	10	FECE	
C[C@H](NCCn1cc(I)cn1)c1c(O)cccc1O	2097157416	DBCLUTGECJERHH-VIFPVBQESA-N	373.194	2.250	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)N1CC[C@H](CN=[N+]=[N-])C1)[C@@H]1CCOC1	2259889038	FPGQMLUXKCVUQG-CHWSQXEVSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4C[C@]4(CN)C3)ccc(N)c2C1	2272655019	LRNARXNISZZZKF-RBZFPXEDSA-N	358.486	2.347	10	10	FECE	
COC[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(Cc2cc(N)ccc2O)C1	2273809782	KJSGUUGXUQYQDX-XJKSGUPXSA-N	365.474	2.336	10	10	FECE	
COC(=O)CCN1C(=O)C(=Cc2ccc(OC)c(OC)c2)SC1=S	2297302713	COBGBYRZDSNXRY-UHFFFAOYSA-N	367.448	2.468	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N[C@H]1c2ccccc2C[C@@H]1O	2302271871	BKDMPDSOKPOMHE-UNMCSNQZSA-N	364.445	2.311	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N(C[C@@H]1CCCN1)C1CC1	2310457085	YFFIWQIZKZGQSD-SFHVURJKSA-N	355.482	2.279	10	10	FECE	
Cn1cc(I)c(COCCc2ccc(N)cc2)n1	2319223753	QAJFRKMUBOYHNF-UHFFFAOYSA-N	357.195	2.366	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ncnn1C	173635274	AWDSTDCFSAWCHF-UHFFFAOYSA-N	368.235	2.015	10	10	FECE	
Cc1cc(C(=O)OCCn2cnc([N+](=O)[O-])n2)c(C)n1-c1ccccc1	176671472	KGRJKAQXOKOEQG-UHFFFAOYSA-N	355.354	2.451	10	10	FECE	
O=C(c1cc(O)cs1)N1C[C@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1	1351115229	BJIAHRKNODFZQL-PELKAZGASA-N	369.386	2.035	10	10	FECE	
CC[C@H](O)CN1CCN(Cc2cc(Br)cc(OC)c2O)CC1	123487426	ROMMVTCHAREAIQ-AWEZNQCLSA-N	373.291	2.052	10	10	FECE	
COc1ccc(N2CCN(C)CC2)cc1NS(=O)(=O)c1ccccc1	74587040	MUXFVNZGSLBQFR-UHFFFAOYSA-N	361.467	2.248	10	10	FECE	
Cc1ccc([C@H](CNC(=O)c2cccc(O)c2O)N2CCOCC2)s1	193126979	UUBKHVASDLHJGV-AWEZNQCLSA-N	362.451	2.271	10	10	FECE	
CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](C)c1cc(OC)ccc1O	87250681	BRLINYJVVMTWJB-FZMZJTMJSA-N	359.430	2.450	10	10	FECE	
Cc1nn(C)c(COC(=O)COc2ccc(N)cc2)c1Br	89252940	ODVMQJCTEOCDBM-UHFFFAOYSA-N	354.204	2.195	10	10	FECE	
O=C1NCCN(Cc2ccc(N3CCOCC3)cc2)[C@H]1c1ccccc1	92675425	RTSLDBGFKMXZSV-FQEVSTJZSA-N	351.450	2.196	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC[C@H](c2ccncn2)C1	373940496	YNOVSVSWJPRBLH-SFHVURJKSA-N	367.497	2.381	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CC[C@@H](C(=O)N3CCCC3)C2)c([N+](=O)[O-])c1	286829405	XZJMNVFTQCJSQK-KEDPEKRHSA-N	373.409	2.230	10	10	FECE	
C[C@H]1CN(CC(F)(F)F)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	837032979	XQLAZTRFJINCFZ-FHMRSRPSSA-N	358.360	2.454	10	10	FECE	
C[C@@H](Cc1cnn(C)c1)NC(=O)NCc1cc(Br)ccc1O	836632563	NSWRIQDYMOBAHQ-JTQLQIEISA-N	367.247	2.319	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CC[C@H](OC)C1	831706167	BCGGBZRURHPNJF-RISCZKNCSA-N	355.818	2.362	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H]([C@]2(C)COC(=O)N2)C1	919068704	ARNFVUPWSAXMNX-UZLBHIALSA-N	374.485	2.481	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)NCC3CSC3)cc2F)CC1	917233826	UZMISWXCBPGLMC-UHFFFAOYSA-N	366.506	2.130	10	10	FECE	
COCc1cc(O)ccc1NS(=O)(=O)c1ccc(OC)c(OC)c1	840914602	CZZDNTSQIGRTIJ-UHFFFAOYSA-N	353.396	2.357	10	10	FECE	
Cc1cc(O)c(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)c(Cl)c1	840918949	ONYDCTPDRAWEEZ-MRXNPFEDSA-N	351.878	2.092	10	10	FECE	
CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2COC)o1	840914638	FUHDSXVWVOCKOL-UHFFFAOYSA-N	355.368	2.109	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC1C[C@@H]2CC[C@H](C1)S2(=O)=O	927314000	MRQIHIYVGMNDCA-ZXFUBFMLSA-N	365.499	2.002	10	10	FECE	
O=C(O)c1cc(F)c(F)cc1NS(=O)(=O)c1cc(F)cc(F)c1O	753018594	XPDFXDAWFOYFEM-UHFFFAOYSA-N	365.260	2.448	10	10	FECE	
O=C(CC1CSC1)NCc1cc(NC(=O)CC2CSC2)ccc1O	923119264	LQYJXJHQOCTKPA-UHFFFAOYSA-N	366.508	2.453	10	10	FECE	
CCO[C@H]1C[C@H](NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1	852379626	VMZUIQHGQUAGQO-HDJSIYSDSA-N	369.412	2.168	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cc(C(F)(F)F)nn3C)C2)cc1	855226247	OPKZYSJGSMKYCD-LLVKDONJSA-N	368.359	2.456	10	10	FECE	
O=C(O)[C@H](CN1CCCc2ccccc21)NCc1cc([N+](=O)[O-])ccc1O	756391091	XTMNPFFALCTDIZ-INIZCTEOSA-N	371.393	2.296	10	10	FECE	
Oc1cc(OCc2ccccc2)ccc1CN1CCN2CCOC[C@@H]2C1	757928130	NPYULDHERILIKV-IBGZPJMESA-N	354.450	2.488	10	10	FECE	
O=C1CN(Cc2ccccc2O)C(=O)N1C[C@H]1CC[C@H](C(F)(F)F)O1	925178103	RUXJZMHYKCQAFK-DGCLKSJQSA-N	358.316	2.266	10	10	FECE	
C[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@@H](C)C1O	853435709	NENQCRNWXOBGMP-HUUCEWRRSA-N	363.527	2.398	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCOc2ccc(CN)cc21	866667970	DKAIPCLWLBVOKP-UHFFFAOYSA-N	368.481	2.069	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]3[C@@H]3C[C@H]43)cc2)C1	864954900	ZNYTWQPKUNQHLQ-BRGLROSXSA-N	367.493	2.297	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3C[C@H]3C3CCOCC3)C2)cc1	868763106	ZMDQLNQVAIAPMC-AYOQOUSVSA-N	359.470	2.388	10	10	FECE	
Cc1cc(CC(=O)N[C@H]2CC[C@H](O)[C@H](O)CC2)c(C)n1-c1ccccc1	1124035111	FTBZAOMHEAMYFZ-VJDPLVQDSA-N	356.466	2.417	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](c2nccc(C(F)(F)F)n2)C1	1157594894	VFMSKYZUEVQHJO-LLVKDONJSA-N	367.327	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(C(=O)NCc2cc(O)ccc2O)CC1	1153879389	MWRRMTKBFNEDSK-UHFFFAOYSA-N	350.415	2.361	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CCC2)n1C[C@H]1CCC(=O)N1	1314753161	LJBFZDGLKBTMGY-OAHLLOKOSA-N	355.442	2.166	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)NCC2(C3(O)CCOCC3)CC2)c1	1313329629	XVDNSANHLWDQQW-CYBMUJFWSA-N	364.442	2.083	10	10	FECE	
C[C@H](NC(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1O	1171731065	XDEJPJKGASURSU-NWDGAFQWSA-N	363.414	2.239	10	10	FECE	
COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)c(O)c1	1296969109	XQUWKWNTQKDCSU-ZDUSSCGKSA-N	358.369	2.209	10	10	FECE	
Nc1nnc(CC(=O)Nc2c(-c3ccccn3)nc3ccccn23)s1	1468657481	SAWFECDOLLHJDT-UHFFFAOYSA-N	351.395	2.011	10	10	FECE	
CON(C(=O)COc1ccc(N)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1	2119475882	OHVDOHYJFORBLP-AWEZNQCLSA-N	365.430	2.047	10	10	FECE	
Cc1ccccc1C(=O)NC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1	1540812685	QBOOTLAFUBUWSP-UHFFFAOYSA-N	368.433	2.370	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C2=C(C)N(C)c3nnnn3[C@H]2C)cc1	1543179589	PGLXMKCPBJLFBQ-AWEZNQCLSA-N	369.473	2.121	10	10	FECE	
COC(=O)[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)c2ccccc2O1	1629353926	CXKSLMINKVNNOG-HNNXBMFYSA-N	368.349	2.430	10	10	FECE	
COC(=O)Cn1ncc(NC(=O)c2cc3cc(O)c(O)cc3s2)c1C	1625610644	AMFCAQDWZXXNMJ-UHFFFAOYSA-N	361.379	2.243	10	10	FECE	
CCc1ccc2c(c1)[C@@H](CCNC(=O)Cc1ccc(O)c(O)c1)C(=O)N2	1629323192	QDXKONSPXHWRBV-CQSZACIVSA-N	354.406	2.445	10	10	FECE	
CC(C)COC1CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1	1638007867	ZFLZYJPONDCPEW-UHFFFAOYSA-N	360.502	2.005	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CC(=O)N(Cc3ccccc3)C2)cc1	1631853883	SCJQJAUXJTZLEQ-UHFFFAOYSA-N	351.366	2.291	10	10	FECE	
CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1COCCO1	1741433524	BSDAJFSQKPBOEO-INIZCTEOSA-N	360.458	2.234	10	10	FECE	
COC[C@H](Cn1c(CC(C)C)nnc1N(C)Cc1ccccc1O)OC	1697763627	AGDYWSAVZKVXQW-INIZCTEOSA-N	362.474	2.480	10	10	FECE	
CN(CCN=[N+]=[N-])CC(=O)Nc1ccccc1I	1912184092	CCGUFAQAKTYNMF-UHFFFAOYSA-N	359.171	2.472	10	10	FECE	
C[C@@H](N)c1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)cc1Br	2148776035	DYHOKTXZZXTYJF-MNOVXSKESA-N	361.305	2.340	10	10	FECE	
CN[C@@H](C)c1ccc(N2C[C@H]3C[C@H]2CS3(=O)=O)cc1Br	321116309	BRLDZRFLBWYESH-ZMLRMANQSA-N	359.289	2.105	10	10	FECE	
CN(C(=O)CN1C[C@@H]2CC[C@]2(NC(=O)OC(C)(C)C)C1)c1ccc(N)cc1	2163039381	PBJDOXMUEOZWOA-XOBRGWDASA-N	374.485	2.221	10	10	FECE	
C[C@@H]1CC[C@H](CNC(=O)C(F)(F)F)N(c2cc3c(cc2N)OCCO3)C1	2163126927	LUUVGMAXEXFRAM-GHMZBOCLSA-N	373.375	2.323	10	10	FECE	
COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2060634365	YUUVBETXPXTPOV-CHWSQXEVSA-N	355.439	2.465	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)N2CCC[C@H](N=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060611346	RWTPECYGXDWXKT-XQQFMLRXSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)N1CCC[C@H](N=[N+]=[N-])C1	2060635238	JVMHTVMBKQWBTB-QWHCGFSZSA-N	353.423	2.314	10	10	FECE	
CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cccc(O)c1O	2084783114	KPIUTMXXJRWLNP-AAEUAGOBSA-N	368.455	2.179	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2312333547	PRBCVUUSQUBAAH-NDBYEHHHSA-N	353.423	2.264	10	10	FECE	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/Nc1ccc2c(c1)OCO2	100409741	JBNPEHPVQARGTN-DHZHZOJOSA-N	369.308	2.133	10	10	FECE	
COc1cccc(CNS(=O)(=O)c2ccc(C(F)(F)F)nc2)c1O	182048616	NWXQPTGBRTWPEB-UHFFFAOYSA-N	362.329	2.293	10	10	FECE	
COCCN1[C@@H](C)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H]1C	128030637	SQYNVYBRLDUYSD-ROUUACIJSA-N	372.513	2.313	10	10	FECE	
CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)/C=C\c1cccnc1)CCC2	255118045	KPWYSLWYROVWOG-YFHOEESVSA-N	371.462	2.325	10	10	FECE	
CN(c1cc2c(cc1Br)[C@H](N)C(=O)N2)[C@@H]1CCCC[C@H]1O	252915220	AMGVLRQRZOODCC-BNOWGMLFSA-N	354.248	2.141	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)[C@@H]1CCc2c[nH]nc2C1	804736667	XXZWTFMBOQKRBO-SECBINFHSA-N	350.216	2.299	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCN1C(=O)c1ccn(-c2ccc(N)cc2)n1	2162984433	AYACIAHBVJRYQP-HNNXBMFYSA-N	371.441	2.194	10	10	FECE	
C[C@H]1COCC[C@@H]1NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	838571196	KKCUAHNHYLCCOJ-LRDDRELGSA-N	369.412	2.026	10	10	FECE	
C[C@H](NC(=O)[C@@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1ccccc1O	913764015	YFPABVAXLFRCED-XEZPLFJOSA-N	366.458	2.433	10	10	FECE	
CC[C@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CCCCO1	848939182	FQNQZQPSHLWLFT-ROUUACIJSA-N	361.486	2.175	10	10	FECE	
CN1CCN(c2ccc(CNCC[C@@H](N(C)C)C(F)(F)F)cc2)CC1	922752108	LTJASWQJRLRVLY-QGZVFWFLSA-N	358.452	2.411	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3c(C)nn4cccnc34)C2)cc1	855233076	WJCHGWWNIIEBSA-CQSZACIVSA-N	351.410	2.055	10	10	FECE	
CCOCc1cc(CNC2C[C@@H]3CC[C@H](C2)S3(=O)=O)ccc1OC	922851039	IKKGWDBCKQOCKE-ALOPSCKCSA-N	353.484	2.430	10	10	FECE	
CO[C@@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@@H]1CCOC1	854276215	KWRGVVVMRMNJEI-APWZRJJASA-N	361.486	2.478	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)c1ccnn1C	867346308	YMKYIKPEOAHEMT-HNNXBMFYSA-N	371.485	2.101	10	10	FECE	
CC[C@@H]1[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCN1C	866212974	LUCFSRAZRMHHCY-FUHWJXTLSA-N	363.477	2.133	10	10	FECE	
Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	863406099	UGSARRBBIPFAMY-UHFFFAOYSA-N	354.388	2.267	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)COB2O	863871222	DVEHVRQRADLJOU-UHFFFAOYSA-N	352.243	2.021	10	10	FECE	
Cn1ncc(I)c1CN1Cc2cccc(O)c2C1	895450320	WDBWJQKRJPHHMG-UHFFFAOYSA-N	355.179	2.246	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)cc1	794613615	PBTOJJBKUNQICD-UHFFFAOYSA-N	357.366	2.271	10	10	FECE	
Cc1cc(C(=O)N2CCO[C@@H](C(=O)C3CC3)C2)c(C)n1-c1ccccn1	791254705	MGOKQELQXLHDQG-QGZVFWFLSA-N	353.422	2.309	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@H]([C@H]3CCCO3)C2)cc1	897488579	GLANIESJRHGIDV-PKOBYXMFSA-N	373.497	2.177	10	10	FECE	
COC(=O)/C=C\c1ccc(N2C[C@H](C)S(=O)[C@H](C)C2)c([N+](=O)[O-])c1	790800429	ROPAZWWFRZNDNL-IJKUHUOBSA-N	352.412	2.127	10	10	FECE	
Nc1c(C(=O)NCc2c(O)cccc2O)cc(Cl)c(F)c1[N+](=O)[O-]	1304053391	JWTOJBVLXWJZIA-UHFFFAOYSA-N	355.709	2.311	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(F)cc(F)c2O)[C@@H](CO)C1	2116266217	OLCLUPSKWIKMSH-IUODEOHRSA-N	372.412	2.378	10	10	FECE	
Cc1cc(=O)oc2cc(OCC(=O)NCc3c(O)cccc3O)ccc12	1456236689	TZOZXOIGUVGNPW-UHFFFAOYSA-N	355.346	2.208	10	10	FECE	
C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1ccc(O)c(O)c1	2118177221	ZKZLJUNFHXORTE-MRVWCRGKSA-N	362.426	2.425	10	10	FECE	
Cn1ncc(C(=O)NCc2ccc3cccnc3c2O)c1Br	1638573364	TZEJAKVKJVDYDY-UHFFFAOYSA-N	361.199	2.366	10	10	FECE	
CN1CCCc2cc(CNC(=O)c3cc([C@H]4CCCN4C)[nH]n3)ccc21	1631322281	GISDMLZTKLSCTD-LJQANCHMSA-N	353.470	2.489	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\c1ccc2c(c1)NC(=O)CO2	1638348263	QBGRZXZMYCOFNI-DJFZKKHWSA-N	368.389	2.189	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3CC[C@@H]4CCCCN43)CC2)c(OC)c1	1634886390	IFLLNUYCQGVTSQ-QFBILLFUSA-N	373.497	2.369	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3C3CC3)CC2)cc1	1738771698	DWSFFEBVKSDPHJ-LSDHHAIUSA-N	369.425	2.274	10	10	FECE	
C[C@@H](CC(N)=O)N(C)c1nnc(C2CC2)n1Cc1ccc(N(C)C)c(F)c1	1741807867	CLJJRNMLLNAZNN-LBPRGKRZSA-N	374.464	2.109	10	10	FECE	
CC[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1O	1763375335	VBQJNXKIAFACOQ-KXBFYZLASA-N	360.458	2.285	10	10	FECE	
CC[C@H]1SC(=S)N(CC(=O)Nc2ccc(OC)cc2OC)C1=O	11635659	XACNAHOMHTXJAZ-GFCCVEGCSA-N	354.453	2.281	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccnc(N3CCN(C)CC3)c2)c1	153849962	ZTISBGVOCZNCJC-CQSZACIVSA-N	370.453	2.039	10	10	FECE	
C[C@H](N=c1nc(CN(C)C(=O)OC(C)(C)C)[nH][nH]1)c1c(O)cccc1O	2128847784	PPGKVKVICIFRAB-JTQLQIEISA-N	363.418	2.178	10	10	FECE	
CCN[C@H]1C(=O)Nc2cc(N(C)[C@@H]3CCOC3)c(Br)cc21	159746653	VEBGWOBDAMALFY-YMTOWFKASA-N	354.248	2.277	10	10	FECE	
CN(Cc1cnn(Cc2ccccc2)c1)C[C@@H](O)COc1ccc(N)cc1	1915011895	IHXYRQCQHODWOX-HXUWFJFHSA-N	366.465	2.385	10	10	FECE	
CC[C@H](N[C@H]1[C@H]2CS(=O)(=O)C[C@H]21)c1cc(Br)ccc1O	2174639655	QCHVAYPXWNOGKT-OPDFLTKYSA-N	360.273	2.238	10	10	FECE	
CP1(=O)CCN(c2cc3c(cc2Br)[C@@H](N)C(=O)N3)CC1	2171998263	SEDJMOKRNHAJRB-GFCCVEGCSA-N	358.176	2.214	10	10	FECE	
CC(C)(C)OC(=O)N1CCSC[C@H](NC(=O)Cc2ccc(N)cc2)C1	2044231661	RUYYLTMIPZALNT-OAHLLOKOSA-N	365.499	2.280	10	10	FECE	
C[C@@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)CCN1C(=O)OC(C)(C)C	2044650882	RRPDOTNXFJHOKP-CYBMUJFWSA-N	369.487	2.040	10	10	FECE	
CN(Cc1nc(=NCc2cc(F)ccc2O)[nH][nH]1)C(=O)OC(C)(C)C	2065557073	HLSHWNMJAJBVLO-UHFFFAOYSA-N	351.382	2.050	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H]2CC[C@H](C(=O)O)N2Cc2ccccc2)c1O	2204611382	VGVLWDNYFUXDKU-ZWKOTPCHSA-N	368.433	2.435	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])C1	2225794131	CROYMELEZWAOMA-ZOPJHEKZSA-N	365.434	2.218	10	10	FECE	
COc1cc(C=C2SC(=S)NC2=O)ccc1CCN1CCOCC1	2295360285	OJNJEHDXOKDDTN-UHFFFAOYSA-N	364.492	2.059	10	10	FECE	
COc1ccccc1NC=C1C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O	2296740334	XBSOXRDESFHUQQ-UHFFFAOYSA-N	369.352	2.409	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2331230640	XEWHYBCPECKCPY-BFHYXJOUSA-N	367.450	2.296	10	10	FECE	
COc1cccc(CNCCN(C[C@@H](C)O)C(=O)OC(C)(C)C)c1O	302127129	XOKDINKDRHNLKR-CYBMUJFWSA-N	354.447	2.108	10	10	FECE	
Cc1cc(C(=O)N2CCNC[C@@H]2c2cnn(C)c2)c(C)n1-c1ccccn1	181365811	GHMBUIFNHPOYBF-GOSISDBHSA-N	364.453	2.009	10	10	FECE	
O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)c1cc(O)c(O)c(O)c1	1148589552	BLICYWUEHXQOJH-OAHLLOKOSA-N	356.422	2.445	10	10	FECE	
CCS(=O)(=O)c1ccc(CC(=O)NCc2ccc(N(C)C)cc2)cc1	77175148	UWPAUSCBDQSYEO-UHFFFAOYSA-N	360.479	2.405	10	10	FECE	
COc1ccc(C(=O)NCC(=O)NCc2ccc(N3CCCC3)cc2)cc1	41365445	COBWMTZIAKHOKB-UHFFFAOYSA-N	367.449	2.342	10	10	FECE	
CN(CCS(C)(=O)=O)c1ccc(/C=C/C(=O)O)cc1Br	234305060	ZTOMQUNZVABBAK-GQCTYLIASA-N	362.245	2.028	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N[C@@H]1c2ccccc2C[C@H]1O	255392870	BKDMPDSOKPOMHE-JLWLHPARSA-N	364.445	2.311	10	10	FECE	
COc1ccc(OC)c(CCNC(=O)NCc2cccc(OC)c2O)c1	266695346	FRXFRMIMEFAWPJ-UHFFFAOYSA-N	360.410	2.460	10	10	FECE	
O=C(Cc1cncnc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	368151801	JVMLSHCGCZSQQJ-MRXNPFEDSA-N	360.845	2.159	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCN1c1ncnc2ccccc12	370368883	YCEXFFGQMGCLMI-INIZCTEOSA-N	364.405	2.326	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1	283992204	JPHDHOSODPNFSS-LPHOPBHVSA-N	374.529	2.090	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)[C@@H]1CCCC12OCCO2	804738852	HBYORFRBWMFXLZ-LBPRGKRZSA-N	356.216	2.314	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)C[C@H](O)CC(C)(C)C	805725562	BGWNQXGNXJJJIF-KRWDZBQOSA-N	364.486	2.441	10	10	FECE	
C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccn1	827158027	MCVUUMKELJRHFN-MRXNPFEDSA-N	366.465	2.218	10	10	FECE	
NC1CCC(OCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1	829002818	FPZCXLIRYAFNDY-ABHNRTSZSA-N	362.470	2.186	10	10	FECE	
COc1ccc(N2CCN(CCN[C@@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)CC2)cc1	902775349	UWBNTXHVYIYMEH-VNXMGFANSA-N	371.525	2.220	10	10	FECE	
C[C@@H](C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)C1CCOCC1	837709319	RTQVTJYEXOPDQY-CYBMUJFWSA-N	368.424	2.480	10	10	FECE	
CCc1cc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)no1	740463938	WIXRLIGXQCRPFU-CQSZACIVSA-N	371.441	2.260	10	10	FECE	
C[C@H]1CN([C@H](C)CNC(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H](C)O1	847323996	MZSKYPMVBXXASM-KURKYZTESA-N	372.513	2.360	10	10	FECE	
CN(C)c1ccc(/C=C\CNC[C@H](N2CCNCC2)C(F)(F)F)cc1	841070044	IZCDSTASDCZTSN-LIMHQNJXSA-N	356.436	2.192	10	10	FECE	
C[C@H]1CN([C@@H](C)CNC(=O)NCc2ccc3c(c2)CCCN3C)C[C@@H](C)O1	847303956	WTSLJZUNEGDSGK-YESZJQIVSA-N	374.529	2.366	10	10	FECE	
Cc1cc(Cl)cc(CNCC2(N3CCOCC3)CCN(C)CC2)c1O	840955751	WNQGPZRLPRMTRZ-UHFFFAOYSA-N	367.921	2.240	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ncn(-c4ccccc4)n3)C2)cc1	853817762	MIDXKAUWHFSGPN-HNNXBMFYSA-N	363.421	2.285	10	10	FECE	
CC1(C)OC[C@@H]2C[C@]21C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	854906221	QUJWBVVWKVMPAV-ORAYPTAESA-N	366.408	2.233	10	10	FECE	
C[C@@H](NCC[C@H]1CNCCS1(=O)=O)c1ccc(N2CCCCC2)cc1	925797247	MURRHPAETAPDJY-APWZRJJASA-N	365.543	2.104	10	10	FECE	
CN1CCN(C(=O)C2=CC[C@@H](NC(=O)OC(C)(C)C)C2)c2cccnc21	859905611	IRFLCCFMEHWTSY-CQSZACIVSA-N	358.442	2.478	10	10	FECE	
O=C(CC1CCCC1)NC1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1	768450225	JEJNFIZPQCPWAJ-LJQANCHMSA-N	374.481	2.479	10	10	FECE	
Cc1cc(N)cc(NC(=O)C(=O)NCCCSc2nccs2)c1	868232700	RZMDOHVLJHVHMJ-UHFFFAOYSA-N	350.469	2.271	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H]2CSC[C@@H]2C1	867423591	JHVZKGRQOMNSAR-CVEARBPZSA-N	362.495	2.342	10	10	FECE	
CN1C[C@H]2[C@@H](NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)CC[C@H]2C1	1123704479	BXIKMHFGBLYXAS-KANFNMMFSA-N	373.497	2.423	10	10	FECE	
COC(=O)c1c(CN(C)CC(=O)N2CCCC2)c2cc(F)ccc2n1C	893913783	YKYHGWXGBCTJLZ-UHFFFAOYSA-N	361.417	2.158	10	10	FECE	
CC[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H](C)S1(=O)=O	897760512	SSVQQLNNZRMCNC-KOLCDFICSA-N	369.464	2.350	10	10	FECE	
CC(=O)c1cn(C2CN(Cc3cc(Br)ccc3O)C2)nn1	897936919	CUFZSIQJXCHHKN-UHFFFAOYSA-N	351.204	2.006	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H](CO)Cc1ccc(F)c(F)c1	791495879	VIKUZGNNZOACPN-BOTMBNHJSA-N	363.360	2.357	10	10	FECE	
CCOC(=O)[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(C)C	1304768863	QFIRAIBAUQTDET-ZWKOTPCHSA-N	363.502	2.307	10	10	FECE	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nn2ccc(O)nc2=O)c1	1168869210	NJSFQBORYFNABI-UHFFFAOYSA-N	358.785	2.394	10	10	FECE	
CNC(=O)CCCN(C)c1nnc(C)n1CCCSc1nccs1	1517565186	ZWNLSEKBFKRKKR-UHFFFAOYSA-N	368.532	2.188	10	10	FECE	
Cn1ccnc1[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(C)(C)CO	1452442077	RIFWEVKDXBVTJM-CYBMUJFWSA-N	358.402	2.072	10	10	FECE	
COC(=O)[C@@H]1CN(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)CCO1	1479101341	YGQVMHVIMDSXQT-SFHVURJKSA-N	371.437	2.178	10	10	FECE	
Cc1ccc(O)c(CNC(=O)c2nccn3c(Br)cnc23)c1	1470254748	JZBQUQSQDHUYCE-UHFFFAOYSA-N	361.199	2.436	10	10	FECE	
CN1C[C@](C)(Cn2c(C3CCC3)nnc2N(C)Cc2ccccc2O)C1=O	1711273293	WOPXVPDKQXEOGM-HXUWFJFHSA-N	369.469	2.366	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(CCCc2ccc(N)cc2)C1	2123036496	CNKPFBCNRJJWPJ-IBGZPJMESA-N	363.458	2.255	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)[C@H](C)c3ccccn3)CC2)cc1	1631442527	BARYABJRITWBAC-QGZVFWFLSA-N	368.481	2.132	10	10	FECE	
NS(=O)(=O)c1cc(C(=O)NCc2c(O)ccc3ccccc23)cs1	1652705726	NCZNCASWFWSSAK-UHFFFAOYSA-N	362.432	2.184	10	10	FECE	
COCc1c(C(=O)NCc2cccc(O)c2O)cnn1-c1ccccc1	1593739749	VDBDGXKLXDGSJI-UHFFFAOYSA-N	353.378	2.360	10	10	FECE	
CCN(C)[C@@H]1CCN(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	1683504343	QZENXEVZUKRQQV-FUHWJXTLSA-N	360.502	2.257	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](C2CN(C(=O)c3cccc(O)c3O)C2)C1	1965109291	LSLGJGKOWPTNKY-GFCCVEGCSA-N	362.426	2.427	10	10	FECE	
CC[C@@H]1SC(=S)N(CC(=O)Nc2ccccc2C(=O)OC)C1=O	11635606	JOWVNJUTRHFUOL-NSHDSACASA-N	352.437	2.051	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)NCc1ccccc1OCCO	155050256	ZOCRSKLKOYSHKT-UHFFFAOYSA-N	367.449	2.433	10	10	FECE	
COc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)cc1C	1651452863	PZNMKYKSARHOFX-HZPDHXFCSA-N	350.459	2.464	10	10	FECE	
N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N(Cc1ccccc1)CC(F)F	2034750246	XHHYRTWZHIPIPS-AWEZNQCLSA-N	350.365	2.262	10	10	FECE	
Nc1ccc(OC[C@H](O)CN2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1	705883279	YPBRREHMKWRWFP-SVFBPWRDSA-N	367.493	2.072	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060619234	KOLQMQUFFNFCJP-JHJVBQTASA-N	353.423	2.170	10	10	FECE	
COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2060634366	YUUVBETXPXTPOV-OLZOCXBDSA-N	355.439	2.465	10	10	FECE	
C[C@@H](CCS(C)(=O)=O)N(C)Cc1cccc(Br)c1O	2104456536	QFNVDHCESMAVCX-JTQLQIEISA-N	350.278	2.410	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)N(C)c1ccc(N)cc1	2106653720	GVIGJPURBCHADI-CQSZACIVSA-N	362.474	2.173	10	10	FECE	
Brc1n[nH]c(=NCc2ccc(N3CCOCC3)cc2)s1	2234297216	WPJUXFKVXFYHFA-UHFFFAOYSA-N	355.261	2.171	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1c1ccc2c(c1)OCCCO2	2226815617	UYGGBWIWEIXYES-GJZGRUSLSA-N	364.442	2.312	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](CNc2ccc(N)cc2)[C@H]1OC	2253666614	HMFAVALCFYEWPL-ARFHVFGLSA-N	351.447	2.330	10	10	FECE	
CN1CCN(C2=NC(=O)C(=Cc3c[nH]nc3-c3ccccc3)S2)CC1	2297053583	HRKSMLLVHANNDW-UHFFFAOYSA-N	353.451	2.294	10	10	FECE	
COc1ccc([C@@H](C)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)c(O)c1	2312116631	HTJYSVKVACIWRJ-KCPJHIHWSA-N	352.431	2.344	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N[C@H](C)Cn3cncn3)cc2)CC1	108443613	ICIABLOSFZMGDF-MRXNPFEDSA-N	356.474	2.402	10	10	FECE	
C[C@@H](O)CN(CCNCc1ccc(N(C)C)cc1)C(=O)OC(C)(C)C	385460901	HOMCRTOIAISEPR-OAHLLOKOSA-N	351.491	2.460	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc(C)nc(NC4CC4)n3)CC2)cc1	243763173	QCZMIWHWRYQHMO-UHFFFAOYSA-N	367.453	2.330	10	10	FECE	
C[C@H](NC[C@]1(CO)COCC2(CCC2)N1C)c1ccc(Cl)cc1O	527946474	DSSZUXGZICWNCF-UGSOOPFHSA-N	354.878	2.312	10	10	FECE	
CCN(CC)S(=O)(=O)N(C)Cc1ccc(C)c(Br)c1O	2380727181	ULKUEIGQRQBMFP-UHFFFAOYSA-N	365.293	2.482	10	10	FECE	
CCCCN(Cc1ccccc1O)Cc1nccn1S(=O)(=O)N(C)C	291609208	QXHGYWMZOXOVPS-UHFFFAOYSA-N	366.487	2.046	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)NCCC1CS(=O)(=O)C1	802301064	LVUFRUHWECUGSE-UHFFFAOYSA-N	354.472	2.139	10	10	FECE	
C[C@@H](CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)n1cccc1	729525205	GUAMYHFSPBJMKY-WMZOPIPTSA-N	368.481	2.457	10	10	FECE	
COC1CCN(c2ccc(CN3CCO[C@H](C(=O)C4CC4)C3)cc2)CC1	828928173	KWGUWGHHJKLIIJ-FQEVSTJZSA-N	358.482	2.482	10	10	FECE	
CCS(=O)(=O)C[C@@H](C)N(C)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-]	733192589	IAYANHCWVPFCIO-ZVTBTPLYSA-N	370.427	2.040	10	10	FECE	
Cc1cc(N2CC[C@@H](NC/C=C\c3ccc(N(C)C)cc3)C2=O)n(C)n1	835042502	JECADXGOIYQJRH-OOFWQKGWSA-N	353.470	2.203	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCCCCO3)cc2)C1	844906292	RPYWPCBHUQTSDT-INIZCTEOSA-N	360.458	2.015	10	10	FECE	
CCN1CCN(c2ccc(CNCc3c4c(nn3C)CCC4)cc2F)CC1	921704185	IVLOWEKEYHYDEE-UHFFFAOYSA-N	371.504	2.480	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CCC3(O)CCC3)CC2)cc1F	929824693	XXOVFRBEYRHPPR-INIZCTEOSA-N	352.450	2.012	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCC[C@H]3CCCN(C)C3)C2)cc1	852377842	FEHAOCOLNVSWDY-SJORKVTESA-N	360.502	2.305	10	10	FECE	
CCO[C@@H](CS(=O)(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C1CC1	859216985	IHLHPNITUTYISH-YJBOKZPZSA-N	368.499	2.008	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccsc3)C2)cc1	852452928	FNTWLZJKUVOVER-YOEHRIQHSA-N	361.467	2.368	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C[C@@H](C)NC(=O)C3CCCC3)C2)cc1	855229368	JJDMRDPYKMCMGW-NVXWUHKLSA-N	373.497	2.475	10	10	FECE	
COC(=O)c1ccc(O)c([C@@H](C)NCc2ccc3oc(=O)n(C)c3c2)c1	858539844	NXMIASMUARFLEG-LLVKDONJSA-N	356.378	2.475	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cn2c(n1)C[C@H](C)CC2	868965988	HJYVRXCDRPZVAW-CQSZACIVSA-N	371.437	2.377	10	10	FECE	
COc1ccc(N2CCN(Cc3cc4c(cc3O)OC[C@H]4O)CC2)cc1	768437574	ABXIKXWOJWPXGB-LJQANCHMSA-N	356.422	2.149	10	10	FECE	
COC(=O)[C@@H](C[C@H]1CCCOC1)NCc1cc(F)c(N(C)C)cc1F	862515761	BPSACWFXKJBLPD-MLGOLLRUSA-N	356.413	2.479	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCS(=O)(=O)C[C@@H](C)C2)c1	763674823	ZHFQCBRMQFXKKT-NSHDSACASA-N	362.289	2.330	10	10	FECE	
CC[C@H](O)CN(Cc1ccccc1)C(=O)C(=O)N1Cc2cccc(O)c2C1	1118945591	CWZODNKPSOYWNA-KRWDZBQOSA-N	368.433	2.034	10	10	FECE	
COC(=O)[C@@]12C[C@@H](NC(=O)NCc3c(O)ccc4c3CCCC4)C[C@@H]1C2	876133691	GDPSCLGKKVBGBQ-CKNLXJGOSA-N	358.438	2.412	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NC[C@@]2(C)CCOC3(CCC3)C2)cc1	897361572	MDBAUUWKHKTGEA-FQEVSTJZSA-N	373.497	2.224	10	10	FECE	
COC(=O)[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1cccnc1	1141135782	WZGDCYKDQCBJGG-OAHLLOKOSA-N	358.375	2.352	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1nc(O)cc(O)n1	1149285162	XTRHYUZLXYCUOT-UHFFFAOYSA-N	366.377	2.038	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C[S@@](=O)c1cccc(OC)c1	1157101561	BCCKKRAFHGGKOU-RUZDIDTESA-N	368.451	2.311	10	10	FECE	
COCCNC(=O)[C@@H](C)NCc1cc(Cl)cc(Br)c1O	708072821	JXIGFRCPQFJVEZ-MRVPVSSYSA-N	365.655	2.049	10	10	FECE	
COc1ccc(CN[C@H](C)CN(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1C	1283650643	ZAXDTXNSPZEAJX-JBFYLRDPSA-N	358.482	2.364	10	10	FECE	
COc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)ncn1	1534309532	USZDDQFZOKUANV-BETUJISGSA-N	374.416	2.168	10	10	FECE	
COC(=O)[C@@H]1CN(C(=O)/C=C\c2cncc(F)c2)c2ccc(F)cc2O1	1530901996	PCNOODQLFIAPGX-ASKPUQFJSA-N	360.316	2.340	10	10	FECE	
COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1ccccc1O	2124030664	LOFGVYHUFPDDEN-WFASDCNBSA-N	368.430	2.383	10	10	FECE	
Nc1c(Cl)cc(C(=O)NCCc2ccc(O)c(O)c2)cc1[N+](=O)[O-]	1630335057	JTHXDFYTXVUCOA-UHFFFAOYSA-N	351.746	2.214	10	10	FECE	
Cc1cc(C(=O)N[C@@H]2CN(C)NC2=O)c(C)n1-c1cccc(C(C)C)c1	1566867570	UQYLHVXRBIUJOJ-GOSISDBHSA-N	354.454	2.293	10	10	FECE	
Cc1nnnn1-c1ccc(F)c(NC(=O)CN[C@@H](C)c2ccccc2O)c1	1659815370	HIXIYNIJXWVRPP-NSHDSACASA-N	370.388	2.105	10	10	FECE	
COC(=O)[C@@H](C)N1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S	6098209	XFOBNPDFGBALJN-XAPLUZPNSA-N	352.393	2.358	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)C[C@H]3Cc4ccccc4O3)cc2)CC1	1596532695	KARXEAXPXDWKNI-HXUWFJFHSA-N	365.477	2.448	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H]3CS[C@H](C)C3)CC2)c(OC)c1	1673624070	DNNIGWCWWGCOPI-ZIAGYGMSSA-N	365.499	2.429	10	10	FECE	
CN(CC1(O)CCCC1)c1cc2c(cc1Br)[C@H](N)C(=O)N2	161730679	XBKLVMJMDRSISF-ZDUSSCGKSA-N	354.248	2.142	10	10	FECE	
C=CC(=O)NCCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	163881734	STUTXMVSKKRFRG-ZDUSSCGKSA-N	367.396	2.065	10	10	FECE	
C[C@@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1n1ccnc1	156543121	BBWRLTIYLFTLSH-APWZRJJASA-N	355.486	2.148	10	10	FECE	
O=c1ccc2c(-c3c(O)c(O)cc4oc(=O)ccc34)c(O)c(O)cc2o1	15210676	MFAPGDLENWJYSK-UHFFFAOYSA-N	354.270	2.389	10	10	FECE	biogenic,in-vitro
C[C@@H](c1cc(Br)ccc1O)N1C[C@H]2CS(=O)(=O)C[C@H]2C1	2144165946	DJYSUAITVLBEFT-GARJFASQSA-N	360.273	2.192	10	10	FECE	
CN(C)c1ccc([C@@](C)(C(=O)O)N(CCO)C(=O)OC(C)(C)C)cc1	2028428899	WFSBFCZKOJFNQE-SFHVURJKSA-N	352.431	2.282	10	10	FECE	
C[C@@]1(NCc2cc(Cl)cc(Br)c2O)CCC(=O)NC1=O	2172846966	RTANOXASEOILEN-CYBMUJFWSA-N	361.623	2.093	10	10	FECE	
C[C@@H](NC[C@@]1(NC(=O)OC(C)(C)C)CCOC1)c1c(O)cccc1O	688536399	LTUAYIIMFNWWTM-XIKOKIGWSA-N	352.431	2.432	10	10	FECE	
CN(C)c1ccc([C@H](O)c2cnn(C)c2I)cc1	2044712405	BRIVXNMOYPDVFH-LBPRGKRZSA-N	357.195	2.172	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@@H]1CN=[N+]=[N-])[C@H]1CCCO1	2060637769	OOFQLZLDJOKAPX-UPJWGTAASA-N	353.423	2.360	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1c1cc2c(cc1N)OCCO2	2106881254	RNWZXXZNQCVJAH-NXEZZACHSA-N	359.348	2.076	10	10	FECE	
CN1CCCc2cc([C@H](N)[C@H](O)C3CN(C(=O)OC(C)(C)C)C3)ccc21	2106941642	AVJUYODDPWURLR-ZWKOTPCHSA-N	361.486	2.297	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](CNCc2cccc(O)c2O)C[C@H]2OCC[C@@H]21	2090472383	GJXBCAOMSXPCRA-OFQRWUPVSA-N	364.442	2.354	10	10	FECE	
COc1cccc(O)c1CNCC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1	2208901114	XSRLYSFDBFRQIX-IBGZPJMESA-N	366.458	2.252	10	10	FECE	
COc1ccc(N2C[C@@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c(F)c1F	2219771328	MYVQPRMXVZAVKE-MNOVXSKESA-N	358.385	2.438	10	10	FECE	
CCOc1cc(C=C2SC(=S)N([C@@H](C)C(=O)O)C2=O)ccc1O	2293031240	SNOSLJVEJGIIQG-QMMMGPOBSA-N	353.421	2.465	10	10	FECE	
CCN1CCN(C[C@H](C)CN[C@H](C)c2ccc(N3CCOCC3)cc2)CC1	121103542	GIWOXTSUZXHXFJ-WOJBJXKFSA-N	374.573	2.447	10	10	FECE	
CN(C)c1ccc(CN2CCN(C[C@@H](O)COc3ccccc3)CC2)cc1	122672054	QUBGGLBRZGMRHS-OAQYLSRUSA-N	369.509	2.310	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)Cc2ccccc2)N2CCOCC2)cc1	36100187	OXUNIWGADXBHMX-NRFANRHFSA-N	367.493	2.485	10	10	FECE	
COc1ccc(C(=O)N2CCN(c3ccc4c(c3)OCO4)CC2)cc1OC	243218719	KJKVYOCHNFVWAF-UHFFFAOYSA-N	370.405	2.395	10	10	FECE	
CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2cccc(C(N)=O)c2)cc1	298883337	PWDIKXVZRLVRHJ-UHFFFAOYSA-N	373.478	2.205	10	10	FECE	
CC(=O)C(=O)COC(=O)CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C	808524011	VJXCQWDTWJDBJY-AGUYFDCRSA-N	353.415	2.256	10	10	FECE	
CC(C)[C@H](C)CNC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	803309140	PWJJMAIUSGBABW-CVEARBPZSA-N	361.486	2.109	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCc2ccc(O)cc2O)C1	827732657	AAELCIZDGNIYLK-CYBMUJFWSA-N	350.415	2.361	10	10	FECE	
CN(C)c1ccc(/C=C\CNCCNS(=O)(=O)c2ccccc2)cc1	835036690	NBLGFZYTSPMVRG-SREVYHEPSA-N	359.495	2.334	10	10	FECE	
CN(C)c1ccc(/C=C/CNCCS(=O)(=O)NCC2CCC2)cc1	835037424	ODRAOGFYUBXLEW-QPJJXVBHSA-N	351.516	2.075	10	10	FECE	
Cc1nn(C)c(Cl)c1CN(C)CC(=O)NCc1ccc(N(C)C)cc1	839583528	IZBBJTFCZYETKF-UHFFFAOYSA-N	363.893	2.196	10	10	FECE	
Cc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(N)cc3)CC2)cc1	841018824	VWBNLIGCEWYLMC-UHFFFAOYSA-N	352.438	2.255	10	10	FECE	
CCN(CC)c1ccc(CNS(=O)(=O)C[C@@H](OC)[C@H]2CCOC2)cc1	849370635	IWKVUMDQQQOREL-FUHWJXTLSA-N	370.515	2.004	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@]1(CCO)CCOC1	840478983	KVLIFCINFUFPLE-UZLBHIALSA-N	363.502	2.080	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H]4[C@H](CCCN4C)C3)C2)cc1	854300498	URXSOAKKIWATIL-UWVAXJGDSA-N	372.513	2.400	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H](C)NC(=O)C3CCCCC3)C2)cc1	855231900	YEYNOASWNWOITP-RDJZCZTQSA-N	373.497	2.475	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ncc2c(F)cccn12	858625825	DEQZSEXZEGQPIP-UHFFFAOYSA-N	372.375	2.379	10	10	FECE	
COc1ccc(N2CCCN(S(=O)(=O)[C@@H]3COC(C)(C)C3)CC2)cc1	858913460	GJAGRPQXDBOEMU-KRWDZBQOSA-N	368.499	2.105	10	10	FECE	
COc1ccc(N2CCN(CCNCc3cn(C4CC4)cn3)CC2)cc1	865433273	LHMORHKGTSEWQH-UHFFFAOYSA-N	355.486	2.138	10	10	FECE	
CO[C@@H](C)CCNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	768722687	YJIHRXPOHFLUAE-KRWDZBQOSA-N	374.529	2.443	10	10	FECE	
COC(=O)/C=C\c1ccc(N(C)Cc2cnc(N(C)C)nc2)c([N+](=O)[O-])c1	779910902	SUYIVWFQOGEDME-VURMDHGXSA-N	371.397	2.273	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCC(N=[N+]=[N-])CC2)C[C@@H](O)C1(C)C	1879106223	DNLTVXAPAQFTIG-SJKOYZFVSA-N	367.450	2.342	10	10	FECE	
COC(=O)[C@](C)(NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(F)cc1	794712770	SEXBDBNCSRXPGZ-KZIVNFMESA-N	359.353	2.455	10	10	FECE	
CCOc1ccc(N(CC(=O)N2CCC[C@@H](NC(C)=O)C2)CC2CC2)cc1	1308001085	HIZDTUGZRPVWJF-GOSISDBHSA-N	373.497	2.429	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1ccccc1CSc1nc[nH]n1	1176748639	YGIQPAYTRVQESO-UHFFFAOYSA-N	356.407	2.438	10	10	FECE	
CN1CCN(c2ccc(CNC[C@]34OCCC[C@H]3C4(F)F)cc2F)CC1	1346846534	KFJVPMWRXDEFCV-MSOLQXFVSA-N	369.431	2.481	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H](C(=O)OCC)C(C)C	1299700085	XDTXPPNBHVMJEY-QGZVFWFLSA-N	365.426	2.119	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)NCc1cc(O)ccc1O	1558175622	YDMUHZUHOREJGW-CQSZACIVSA-N	350.415	2.407	10	10	FECE	
COC(=O)c1ccnc(C(=O)NCc2cccc(Br)c2O)c1	1635839562	HHCORHAPLJJCAV-UHFFFAOYSA-N	365.183	2.266	10	10	FECE	
Cc1cc(N2C[C@H](C(=O)NCc3c(O)cccc3O)CC2=O)ccc1F	1635847612	QHLBSQAXFCSSQJ-GFCCVEGCSA-N	358.369	2.215	10	10	FECE	
COc1ccc(CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)c(O)c1	1635041987	HFCJKXLKXOYZJJ-UHFFFAOYSA-N	374.349	2.400	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2124533377	PAXOSJXVSIUMKM-ZIAGYGMSSA-N	367.450	2.417	10	10	FECE	
CC(C)N(CCN(C)C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1676653022	GAMGANZCXHKBBP-LJQANCHMSA-N	363.550	2.337	10	10	FECE	
C[C@@H](Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccccc1O)N(C)C	1692725601	IROJGVQDCLCRPV-WMLDXEAASA-N	359.474	2.422	10	10	FECE	
C[C@H](O)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S	1858591930	DEFXSMHZBJNPTD-JZMJZOPTSA-N	357.840	2.375	10	10	FECE	
Cc1cccc(CNC2(C(N)=O)CCN(C(=O)OC(C)(C)C)CC2)c1O	1922661608	SVJTZRPJURIOIO-UHFFFAOYSA-N	363.458	2.045	10	10	FECE	
CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NCCOc1ccc(N)cc1	1999474944	LNTIGUQYMYRIQB-XMMPIXPASA-N	357.476	2.270	10	10	FECE	
C[C@H](N[C@@H]1COCCN(C(=O)OC(C)(C)C)C1)c1cc(O)ccc1O	2034723873	VCDLNAYPXRCWKA-STQMWFEESA-N	352.431	2.384	10	10	FECE	
C[S@](=O)CC1CN(c2ccc(C=CC(=O)O)cc2Br)C1	2166652697	QPPGFTLHGICZGG-FQEVSTJZSA-N	358.257	2.362	10	10	FECE	
COc1cccc(O)c1CNCC1(OC)CN(C(=O)OC(C)(C)C)C1	2042580183	YSHMBURXSIAFME-UHFFFAOYSA-N	352.431	2.126	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CCC(N=[N+]=[N-])CC2)CO1	2060613597	SXFPRRHEEMXXQL-YPMHNXCESA-N	353.423	2.312	10	10	FECE	
C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1[C@H](CN)c1ccc(N(C)C)cc1	2194811689	AEQCMUBSTQMCJD-UHOFOFEASA-N	372.435	2.284	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)N2CC(N=[N+]=[N-])C2)OC(C)(C)C1	2073952157	ZLBWRVSOGRUYTD-PWSUYJOCSA-N	353.423	2.358	10	10	FECE	
C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1c1cc2c(cc1N)OCCO2	2106847712	YUVCFTZPGMTECU-KOLCDFICSA-N	359.348	2.076	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12	2315989898	VNHOMJZIYIITED-UPJWGTAASA-N	353.423	2.027	10	10	FECE	
O=C1NCCN(c2ccc(OCc3ccccc3)cc2)C12CCNCC2	2336053514	JZMPCLFBJMIZAC-UHFFFAOYSA-N	351.450	2.324	10	10	FECE	
CCCCC(=O)N(Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1	6349649	UULAGVRNRXNSLM-KRWDZBQOSA-N	352.500	2.459	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(=O)Nc3ccccc3F)CC2)cc1	9858058	DYCRVDKFMJBVQX-UHFFFAOYSA-N	357.385	2.122	10	10	FECE	
CN1CCc2cc(CNCc3cccc([C@]4(C)NC(=O)NC4=O)c3)ccc21	178898006	UNPRUWZKUQWMRH-NRFANRHFSA-N	364.449	2.023	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCN(CC(F)F)CC1	61865117	HBJZMFPFDXFWQH-UHFFFAOYSA-N	352.429	2.379	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)[C@@H](CC(C)C)NC(N)=O)cc1F	66932483	XIXORTQZLQJLPV-OAHLLOKOSA-N	352.454	2.371	10	10	FECE	
COc1cc(O)c(CN2CCN(c3cc(C4CC4)n[nH]3)CC2)cc1OC	189898877	VTOQFXRZWVGZRF-UHFFFAOYSA-N	358.442	2.332	10	10	FECE	
Cc1cc(CNC(=O)NCc2ccc(N3CCCC3)cc2)nc(N(C)C)n1	190123027	GBCHAAAANOYULJ-UHFFFAOYSA-N	368.485	2.451	10	10	FECE	
C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(N2CCOCC2)c(F)c1	90539748	ZLIKCRKIGLFSKB-CYBMUJFWSA-N	363.393	2.118	10	10	FECE	
Cc1cc(C(=O)N2CCN(C[C@H](C)O)C[C@H]2C)c(C)n1-c1ccccn1	251859083	RSBIXXYQVDLDSG-CVEARBPZSA-N	356.470	2.016	10	10	FECE	
CCc1cc(CN2CCO[C@H](CNC(=O)NC)C2)c(O)c(C(C)(C)C)c1	530103683	LRFJWZPCYUCOQS-MRXNPFEDSA-N	363.502	2.382	10	10	FECE	
O=C1C[C@H](c2cccc(NS(=O)(=O)c3cccc4nsnc34)c2)CN1	532932842	QFBNGVOGUYOGLP-NSHDSACASA-N	374.447	2.096	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)NC1(CO)Cc2ccccc2C1	368535026	SGXDIIPLJOSARF-UHFFFAOYSA-N	363.461	2.392	10	10	FECE	
CCN1CCN(c2ccc(CNCc3nccnc3OC)cc2F)CC1	295184107	NDJVAGXEONJKAU-UHFFFAOYSA-N	359.449	2.056	10	10	FECE	
CC(=O)Nc1nc(C(=O)NCc2cc(Br)ccc2O)cs1	804737343	PKIZGGNWXULBDW-UHFFFAOYSA-N	370.228	2.500	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cn(C(C)C)nn1	815951592	JVWNHZVDPXBWOG-UHFFFAOYSA-N	366.805	2.033	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3C[C@@H]4CCC[C@H](C3)N4)C2)cc1	818654979	HHKSPICPISSTFO-ZACQAIPSSA-N	358.486	2.057	10	10	FECE	
CCO[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])c(OC)c2O)[C@H]1n1cccn1	816672258	UXWYJMNNGOULPN-BPLDGKMQSA-N	362.386	2.014	10	10	FECE	
CCCN1CCCN(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)CC1=O	588564930	MYXFXKYEYKPCLA-TWGQIWQCSA-N	371.481	2.007	10	10	FECE	
Cc1cc(CCNC(=O)N2CCNC(=O)[C@H]2C)c(C)n1-c1ccccc1	730114838	FYHRPPPOACBXQB-MRXNPFEDSA-N	354.454	2.167	10	10	FECE	
COc1ccc(N2CCCN(C(=O)c3cn(C4CCC4)nn3)CC2)cc1	843534016	SUPHUBNWAZREEZ-UHFFFAOYSA-N	355.442	2.364	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC([C@@]2(C)COC(=O)N2)CC1	919081270	JKJWNKPSHCDHJQ-HXUWFJFHSA-N	374.485	2.481	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCCC[C@H]1[C@@H]1CCNC1	844223748	BLMLVHMEIRJTNG-QUCCMNQESA-N	358.530	2.175	10	10	FECE	
COCc1csc(NC(=O)NCc2ccc(N3CCOCC3)cc2)n1	743223513	UDZOXAKKOHRPFT-UHFFFAOYSA-N	362.455	2.448	10	10	FECE	
Cc1cc(C)n([C@H](C)C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)n1	920709936	PTXPOOHNTKXGIP-MRXNPFEDSA-N	372.469	2.329	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2C[C@@]34CCCC[C@]3(COC4)C2)cc1	852758776	FDPRDPRWZMTSPV-NHCUHLMSSA-N	357.498	2.261	10	10	FECE	
C[C@@H](N[C@@H](CO)c1ccnn1C)c1cc(Br)cc(F)c1O	858434411	GKDWCTWRNGGTQE-PELKAZGASA-N	358.211	2.412	10	10	FECE	
c1ncc(CN2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)s1	931356380	IPFLKXMEOVJXHC-UHFFFAOYSA-N	358.511	2.298	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CCNC(=O)CC23CCOCC3)c1O	872286751	QKNIHGLPFOIJGU-UHFFFAOYSA-N	366.845	2.119	10	10	FECE	
O=C(COC(=O)c1cnn(CCC(F)(F)F)c1)c1ccc(O)c(O)c1	784684350	HTILVWMJXLRHRC-UHFFFAOYSA-N	358.272	2.286	10	10	FECE	
COC(=O)COc1ccc(N(C)Cc2ncc(C(=O)OC)s2)cc1	894445938	RARLGGOEHPNXRY-UHFFFAOYSA-N	350.396	2.118	10	10	FECE	
COc1ccc(CNC(=O)NCC[C@H]2COc3ccccc3O2)c(O)c1	793001500	RUDPOPHLCLQEGU-HNNXBMFYSA-N	358.394	2.430	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)NCCN2CCC3(C2)OCCO3)cc1	1148301652	YRIXEHDOCFRMFQ-UHFFFAOYSA-N	369.465	2.273	10	10	FECE	
C[C@H](C(=O)NCc1ccc(N2CCN(C)CC2)cc1)N1CCCCCC1	1176083680	RIRXNUDCKGBYHB-GOSISDBHSA-N	358.530	2.319	10	10	FECE	
CN1CCN(c2ccc(CN[C@@](C)(CO)c3cccc(O)c3)cc2F)CC1	1351626863	CHBUDQVZSBZPCB-NRFANRHFSA-N	373.472	2.280	10	10	FECE	
Cc1ccc([C@@H](CNC(=O)Cc2ccc(O)c(O)c2)N2CCOCC2)cc1	1291849813	LFKNBQSFVVAZQE-GOSISDBHSA-N	370.449	2.138	10	10	FECE	
O=C(CNC(=O)NCc1ccc(F)cc1)NCc1cccc(Cl)c1O	1606859991	DQVFFGHQLRXWSM-UHFFFAOYSA-N	365.792	2.300	10	10	FECE	
CCON(CC)C(=O)CNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C	1470160141	SGBBPAOWAGIEHT-UHFFFAOYSA-N	371.437	2.436	10	10	FECE	
C[C@](CO)(Cn1cnc2ccccc21)NC(=O)/C=C\c1ccc(O)c(O)c1	1637372299	VHSRVXUEPRTJSI-YHAGJJCESA-N	367.405	2.028	10	10	FECE	
COC[C@](C)(CC(=O)OC)NC(=O)c1cc2cc(O)c(O)cc2s1	1634642504	HERJEHJSRZZHPE-INIZCTEOSA-N	353.396	2.011	10	10	FECE	
O=C(NCc1nc([C@@H]2CCCO2)n[nH]1)c1cc2cc(O)c(O)cc2s1	1639237317	QBIPNFBBWAAPSF-NSHDSACASA-N	360.395	2.212	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1	1633595479	YCUTXTZMFFXTLS-INIZCTEOSA-N	366.417	2.256	10	10	FECE	
CO[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)C12CCC2	1636006221	MGVKMGYHLIWWAC-OALUTQOASA-N	372.513	2.195	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2C[C@]2(F)c2ccccc2)c1	1638608446	WNWPMTZEXRIESC-RDJZCZTQSA-N	364.398	2.131	10	10	FECE	
COc1cc(O)c(CN2CCN(Cc3c(C)nn(C)c3C)CC2)cc1OC	160258317	XQFMZWWRHUKXNF-UHFFFAOYSA-N	374.485	2.078	10	10	FECE	
Cc1cc(/C=C2/SC(=S)N([C@H](C(=O)O)[C@@H](C)O)C2=O)ccc1F	1858595424	BGQCMIOJYAXTMR-CGARVELHSA-N	355.412	2.169	10	10	FECE	
CCOc1cc(Cc2nnc(=Nc3ccccc3O)[nH]c2O)ccc1OC	1859425033	GNUXYLKYPBIDFM-UHFFFAOYSA-N	368.393	2.446	10	10	FECE	
O=C(CCCN1Cc2ccccc2C1=O)NCCc1ccc(O)c(O)c1	1860214122	FQPDFBPTYLMKOF-UHFFFAOYSA-N	354.406	2.193	10	10	FECE	
Cn1c(C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cnc1[N+](=O)[O-]	1890156657	RBNBMOOBUJAOHL-ZFWWWQNUSA-N	355.398	2.247	10	10	FECE	
CNC(=O)c1cncc(C=CC(=O)N2C[C@H](OC)Cc3ccccc32)c1	2069535188	PSQYUGNSHDLTJF-QGZVFWFLSA-N	351.406	2.059	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3Nc1c(N)cccc1C(N)=O	2169563156	VVGHRWOCRIRRGJ-SXBHSIJNSA-N	372.469	2.424	10	10	FECE	
COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2060613510	RWKNFBFKXUOTMC-RYUDHWBXSA-N	357.411	2.007	10	10	FECE	
C[C@@H]1CN(CCCOc2ccc(N)cc2)CC[C@H]1NC(=O)C(F)(F)F	2106683716	FVKIJSCUDLJFHT-IUODEOHRSA-N	359.392	2.427	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H](NCc2ccc(O)c(O)c2O)C1	2219136129	BFKMEXJNQVGTAK-RYUDHWBXSA-N	356.394	2.241	10	10	FECE	
COc1ccc(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c(C(=O)O)c1	2235948719	VGNOQCWRUINLEO-WOJBJXKFSA-N	368.433	2.483	10	10	FECE	
Cc1cc(C=CC(=O)N2CC[C@@H](CO)[C@H](O)C2)c(C)n1-c1ccccc1	2312495542	OSPKYUIGDQBLHP-AZUAARDMSA-N	354.450	2.309	10	10	FECE	
CC(C)(C(=O)O)N1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S	2323874570	YWWPOZUQJYJDRI-UHFFFAOYSA-N	351.405	2.480	10	10	FECE	
CCc1nc2n(n1)C[C@H](NC(=O)c1cc(C)n(-c3ccccn3)c1C)CC2	114869943	GTXXROVUZKHYMR-OAHLLOKOSA-N	364.453	2.388	10	10	FECE	
O=C(c1ccc(O)c(O)c1)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21	404158054	IFGCDGCMZFSTHE-FXAWDEMLSA-N	368.433	2.213	10	10	FECE	
N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCc1sccc1Br	148244769	KRGRXXUOEQRAAF-JTQLQIEISA-N	371.256	2.108	10	10	FECE	
CCN1CCN(C(=O)CCn2c3c(c4ccccc42)CCCC3)C(=O)C1=O	1850886407	LFENBEXEYHLPIB-UHFFFAOYSA-N	367.449	2.128	10	10	FECE	
COc1c(NC(=O)N2CCOc3cc(N(C)C)ccc32)cccc1C(N)=O	542959622	ZTGLQFUADRFAPY-UHFFFAOYSA-N	370.409	2.291	10	10	FECE	
O=C(CCCNC(=O)NCc1cc(Br)ccc1O)NC1CC1	804964687	PRTYYJKYDXZSPF-UHFFFAOYSA-N	370.247	2.013	10	10	FECE	
Cc1cc(CN2CCN(c3ccc(/C=C/C(=O)O)cc3[N+](=O)[O-])CC2)on1	813282641	VDPCCPIVOYJTFJ-HWKANZROSA-N	372.381	2.311	10	10	FECE	
CO[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	815073865	CDXHIPPTAUMLPO-NZSAHSFTSA-N	373.497	2.210	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC[C@H](O)CN(C)C(=O)OC(C)(C)C)c1	822818087	JOKWQXPHKOHXIK-OLZOCXBDSA-N	354.447	2.279	10	10	FECE	
COC(=O)[C@H]1CSCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1	840353985	IIOCIBQHULTLRU-DZGCQCFKSA-N	365.499	2.361	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)[C@H]1CCO[C@H](C)C1	841568605	COYQTWQLCXNSGC-DAYGRLMNSA-N	354.516	2.479	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CC[C@@H]3C(=O)O)cc2F)C[C@@H](C)O1	911228985	WXYVZBOELSVJNR-GBOPCIDUSA-N	364.417	2.166	10	10	FECE	
Cc1cc(C(=O)COC(=O)CNC(=O)C2CC2)c(C)n1-c1ccc(F)cc1	915015894	ZOIDBMLUSGFSOO-UHFFFAOYSA-N	372.396	2.485	10	10	FECE	
O=C(CC1(C(=O)O)CCOCC1)NCc1cc(Br)ccc1O	911555228	HNOQBRHBJMLSDP-UHFFFAOYSA-N	372.215	2.042	10	10	FECE	
C[C@@H]1CCCc2nc(S(=O)(=O)Nc3ccc(O)c([N+](=O)[O-])c3)cn21	841677593	UOMRCTYJFRZCSZ-SECBINFHSA-N	352.372	2.195	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)N1C(=O)N[C@H](c2ccnn2C)C1=O	843309349	OROUQJMBBMVHRY-CXAGYDPISA-N	355.442	2.019	10	10	FECE	
C[C@H](NC(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)c1ccccc1O	827969163	IXYBLZNDPXCCFI-GXTWGEPZSA-N	350.415	2.205	10	10	FECE	
CCN(CC)c1ccc(CN2C(=O)N[C@@H]([C@@H](O)c3cccnc3)C2=O)cc1	924485929	DDEYWJNNGDHCJV-ROUUACIJSA-N	368.437	2.082	10	10	FECE	
COc1ccc(N(CC(=O)O)CC(=O)NCC[C@]2(C)C[C@@]2(F)Cl)cc1	853010557	FRQAQCHWQLVZMH-SJORKVTESA-N	372.824	2.407	10	10	FECE	
C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1=O	750655680	BLIVYOPUMBJYFJ-SIXWZSSISA-N	370.497	2.436	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@@H](C)c3nccn3C)C2)cc1	852388078	WYXMJOLFKAYLQC-LSDHHAIUSA-N	357.458	2.315	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CCc3ccc(C(N)=O)cc3)C2)cc1	855223915	CSHJHUXQKHERPU-QGZVFWFLSA-N	367.449	2.122	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccnn3C3CCOCC3)CC2)cc1	854198697	PHYCYCJROSJJKG-UHFFFAOYSA-N	370.453	2.206	10	10	FECE	
O=C(O)CN1CC[C@H](N2CCCc3cc(OC(F)(F)F)ccc32)C1=O	852725805	PFUPFBORSABUBS-ZDUSSCGKSA-N	358.316	2.023	10	10	FECE	
CCn1nc(C)cc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O	861861713	SKSGRQCNVWISGF-UHFFFAOYSA-N	371.224	2.479	10	10	FECE	
C[C@@H]1C[C@H]1c1noc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)n1	866023922	XMISNXOXRMTRMB-MLGOLLRUSA-N	356.426	2.084	10	10	FECE	
CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N2Cc3cccc(O)c3C2)c1C	867691480	XJTRDNVBWJCTCW-UHFFFAOYSA-N	364.423	2.218	10	10	FECE	
CC[C@]1(C)NC(=O)N(Cc2ccc(N3CCN(CC4CC4)CC3)cc2)C1=O	761931148	PCOWMIGBCBGQGJ-NRFANRHFSA-N	370.497	2.439	10	10	FECE	
Nc1ccc(CCNC(=O)C(=O)N[C@@H]2CCc3cc(Cl)ccc32)cc1	1118924321	HJLNUOONCYABQV-QGZVFWFLSA-N	357.841	2.385	10	10	FECE	
CCOC(=O)CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)(C)C	769941399	GBZGWPDPUFTXFD-UHFFFAOYSA-N	363.502	2.375	10	10	FECE	
C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)C(=O)NCCc1ccc(N)cc1	1117981304	URJOEEFUDBRQTI-BXUZGUMPSA-N	357.376	2.117	10	10	FECE	
COc1cnccc1N1CCN(Cc2ccc(N3CCOCC3)cc2)CC1	793371770	XMXKQEJZQLQRMS-UHFFFAOYSA-N	368.481	2.249	10	10	FECE	
Cc1nc([C@H]2CCCN2C(=O)C(=O)N(C)Cc2ccccc2O)cs1	1325747994	JWLRTPWIUFJKCJ-OAHLLOKOSA-N	359.451	2.479	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C(F)(F)F)CC1	1255147414	AHKDMQQOJXMLOP-JTQLQIEISA-N	361.316	2.031	10	10	FECE	
COC[C@@H](Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1O)OC	1504589541	PUZQQFHFKHPFAM-MRXNPFEDSA-N	360.458	2.234	10	10	FECE	
COc1ccc(O)c(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c1	2116275175	TXCRZTGJOGFIKA-ZBFHGGJFSA-N	366.458	2.108	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](CO)[C@@H]2CCOC2)CCCC1	1295799270	NBTJUZVCDXNDFS-KDOFPFPSSA-N	372.465	2.042	10	10	FECE	
Cc1cc(Cn2c(-c3sccc3O)nnc2N2CCO[C@@H](C)C2)no1	1528333679	TYNCTZQQYOQREV-NSHDSACASA-N	361.427	2.282	10	10	FECE	
CC(C)CNC(=O)N1CCC[C@H](CC(=O)NCc2ccc(O)cc2O)C1	1469161334	YIDJNDYGTKJFRK-CQSZACIVSA-N	363.458	2.182	10	10	FECE	
Cc1ccc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c(O)c1O	1469558653	YWVIHDGUTZTYMO-ONGXEEELSA-N	360.332	2.078	10	10	FECE	
Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)Cc1ccc(O)c(O)c1	1617416896	OTPVGXSRJUUHBI-UHFFFAOYSA-N	370.405	2.060	10	10	FECE	
COc1ccc(CNC(=O)N[C@H](C)c2nc(C(F)(F)F)no2)c(O)c1	1565487879	SKUFHQUVUOBTEP-SSDOTTSWSA-N	360.292	2.363	10	10	FECE	
CNS(=O)(=O)c1cc(C(=O)NCc2cc(Cl)ccc2O)ccc1F	1639965144	FIBDPIJYLSFQBA-UHFFFAOYSA-N	372.805	2.023	10	10	FECE	
O=C(Cc1nc(C2CCOCC2)n[nH]1)NCc1c(O)ccc2ccccc12	1647795116	WYXKHRAECRGBNV-UHFFFAOYSA-N	366.421	2.416	10	10	FECE	
Cn1nc(CNC(=O)OC(C)(C)C)cc1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2124506698	ZUZVLODHICQCCN-NSHDSACASA-N	363.422	2.217	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)C1	2124509834	PPIODWYFEIVDCC-KBPBESRZSA-N	366.466	2.134	10	10	FECE	
COC(=O)C[C@@H](Cc1ccccc1)NC(=O)/C=C\c1ccc(O)c(O)c1	1653315735	AHPGALHHQBHBMV-SIJIIQCFSA-N	355.390	2.402	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1cc2nccc(C(F)(F)F)n2n1	1597579892	VTFUMRYYHVALRQ-UHFFFAOYSA-N	352.272	2.089	10	10	FECE	
C[C@@H](NC(=O)NCc1ccc(-c2nncnn2)cc1)c1ccccc1O	1683565722	RJCRKPQUNRTFDJ-GFCCVEGCSA-N	350.382	2.200	10	10	FECE	
CN(C)c1ccc(/C=c2\sc3nc(-c4cccc(N)c4)nn3c2=O)cc1	1857924455	CWALJSSETZBJMB-YBEGLDIGSA-N	363.446	2.014	10	10	FECE	
[N-]=[N+]=NCC1CCN([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2O)CC1	1912196079	SEQVQKREGPSRHX-IRXDYDNUSA-N	359.430	2.391	10	10	FECE	
O=S1(=O)CCC[C@@H]2CN(Cc3c(O)cccc3Br)C[C@@H]21	2145074652	WCLONHVFXMWMQN-YGRLFVJLSA-N	360.273	2.164	10	10	FECE	
CN(CCOc1ccc(N)cc1)C[C@@]1(O)CCN(Cc2ccccc2)C1	711789362	WUGUZEZWWPNDBZ-NRFANRHFSA-N	355.482	2.216	10	10	FECE	
CS(=O)(=O)C1CCN(c2cc(Br)c(CN)cc2F)CC1	380758779	OYQXJVFSKOOLOF-UHFFFAOYSA-N	365.268	2.060	10	10	FECE	
CS(=O)(=O)[C@@H]1CCCN(c2cc(Br)c(CN)cc2F)C1	383360691	DYMCJKBOGITABM-SNVBAGLBSA-N	365.268	2.060	10	10	FECE	
CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc(CO)c([N+](=O)[O-])c1	2188577073	QULQLNFDDXEPIC-FQEVSTJZSA-N	371.437	2.160	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](CF)(NC(=O)c2cccc(O)c2O)C1	2054420028	NIMBIHGDKIVOPH-QGZVFWFLSA-N	354.378	2.177	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]1(C(=O)N2CCC[C@H]2CN=[N+]=[N-])CCCO1	2060635782	PDEHTIVYSUHUFP-BLLLJJGKSA-N	353.423	2.362	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2060614776	HHDWQQXFZGTFIR-RWMBFGLXSA-N	353.423	2.075	10	10	FECE	
Cc1ccc(O)c(CN2CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C2)c1	2081017019	IJZIBROSCUJCFV-GOSISDBHSA-N	350.415	2.254	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](NC(=O)COc3ccc(N)cc3)[C@@H]21	2106254599	AYSXDIQWETZOLA-DJIMGWMZSA-N	361.442	2.162	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](CNCc2cccc(O)c2O)C[C@@H]2OCC[C@H]21	2090472382	GJXBCAOMSXPCRA-LZWOXQAQSA-N	364.442	2.354	10	10	FECE	
CN1CCc2cc([C@H](N)CN3CC(CNC(=O)OC(C)(C)C)C3)ccc21	2113000387	YGWNZUHWJCOIJJ-QGZVFWFLSA-N	360.502	2.135	10	10	FECE	
Cn1nc(CNC(=O)OC(C)(C)C)cc1C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-]	2225801477	VGQKALWGWXHGFQ-VXGBXAGGSA-N	363.422	2.406	10	10	FECE	
O=C(O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S	2293067492	NFCFWBGPXXNSSR-VIFPVBQESA-N	371.823	2.469	10	10	FECE	
O=C1C(=Cc2cc(F)cc(F)c2)SC(=S)N1CCN1CCOCC1	2303968644	BZEVTUQDFJOELN-UHFFFAOYSA-N	370.446	2.498	10	10	FECE	
CC(C)(C)OC(=O)N(CCCO)CCC(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2319823574	AJCQBEGGGHUDMU-CYBMUJFWSA-N	355.439	2.297	10	10	FECE	
CN1CCCc2cc(CNC(=O)NC[C@@H](O)Cc3ccccc3)ccc21	105206728	KPCINJGQSWHELU-IBGZPJMESA-N	353.466	2.472	10	10	FECE	
Cc1cc(C(=O)N2CC[C@@H](N3CCOCC3)C2)c(C)n1-c1ccccn1	172753711	YWNBGSDVMHBDDL-QGZVFWFLSA-N	354.454	2.036	10	10	FECE	
C[C@@H](O)CN(CCNCc1ccc2c(c1)CCO2)C(=O)OC(C)(C)C	302103285	KKDLEJNSBBRABI-CQSZACIVSA-N	350.459	2.329	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)Nc1ccc2[nH]ncc2c1	177761493	SOOOOAKHAIYCQM-UHFFFAOYSA-N	361.452	2.257	10	10	FECE	
C[C@H](NCCCN1CCCN(C)CC1)c1ccc(N2CCOCC2)cc1	128231734	JAWUBCBUTCWIIH-IBGZPJMESA-N	360.546	2.201	10	10	FECE	
O=C(NCc1ccccc1)N1CCN(c2ccc3c(c2)OCCO3)CC1	41380174	KNGNNNKQGIJJBZ-UHFFFAOYSA-N	353.422	2.490	10	10	FECE	
O=S(=O)(c1cccs1)N1CC[C@H](CNCc2cc(F)ccc2O)C1	367689970	SSKKQLIAGPXRPW-GFCCVEGCSA-N	370.471	2.393	10	10	FECE	
NC(=O)c1cccnc1N1CCN(Cc2cc(Cl)c(F)cc2O)CC1	295401201	QSNKBHJBPNKNLB-UHFFFAOYSA-N	364.808	2.001	10	10	FECE	
O=C(NCCCO[C@@H]1CCOC1)NCc1cc(Br)ccc1O	805196185	PFDIBYCSBWZBAV-CYBMUJFWSA-N	373.247	2.150	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1(C)C	2132401226	SHZXJFQDTNTMLH-CYBMUJFWSA-N	366.414	2.321	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCCN3C(=O)C(C)C)C2)cc1	819584138	ZCLQMVHJPKHKMR-VQIMIIECSA-N	373.497	2.285	10	10	FECE	
COc1ccc(N2CCN(CCNC[C@H](O)c3ccccc3C)CC2)cc1	818983118	YAXGEIWMUUTOAW-QFIPXVFZSA-N	369.509	2.449	10	10	FECE	
CCOC(=O)[C@@H]1C[C@H](N=[N+]=[N-])[C@H](O)C[C@H]1NC(=O)OCc1ccccc1	714444994	XEIPEUFVSGQVHR-APIJFGDWSA-N	362.386	2.294	10	10	FECE	
COC(=O)[C@H](NC(=O)c1cc(O)cs1)c1ccc(OC)cc1OC	832324622	HZUVGHOKDLGZIE-CQSZACIVSA-N	351.380	2.115	10	10	FECE	
Cc1cc(C(=O)N2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c(C)n1-c1ccccn1	834336024	AJNXSJDWLQKJPX-SCTDSRPQSA-N	369.465	2.491	10	10	FECE	
Cn1cc(/C=C\C(=O)N2Cc3ccccc3-c3ccccc32)c(=O)n(C)c1=O	918623483	QSSLYSUCXGURJI-QXMHVHEDSA-N	373.412	2.311	10	10	FECE	
Cc1cc2c(N3CCN(C(=O)Cc4ccc(N)cc4)CC3)ncnc2s1	842271209	IVRHLZIBOJYLHA-UHFFFAOYSA-N	367.478	2.473	10	10	FECE	
COc1nc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)co1	858625774	BKIUJUPXPFSMMD-VXGBXAGGSA-N	363.389	2.366	10	10	FECE	
C[C@@H](N[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O)c1ccc(N(C)C)cc1	851949938	KMXWVDIIEWIYGO-PBHICJAKSA-N	361.486	2.346	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H]1CCN1C(C)(C)C	850602146	PCIBJNHWIQKCRI-GOSISDBHSA-N	374.529	2.090	10	10	FECE	
O=C1C[C@H](C(=O)NCc2ccc3cccnc3c2O)[C@@H]2CCCC[C@@H]2N1	862025286	RRCULPFHTYOVSY-JYJNAYRXSA-N	353.422	2.252	10	10	FECE	
COC(=O)[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)c2ccccc21	768464606	CWJAUQRXKSFZFZ-RDTXWAMCSA-N	355.390	2.485	10	10	FECE	
CCOC(=O)[C@@H]1NC(=O)N(CCc2cc(C)n(-c3ccccc3)c2C)C1=O	760972351	TZSWIXVQUSASEA-QGZVFWFLSA-N	369.421	2.120	10	10	FECE	
CNS(=O)(=O)CCCOC(=O)c1cc(C)ccc1-n1c(C)ccc1C	777071130	CYXLEPDCYPTOCZ-UHFFFAOYSA-N	364.467	2.499	10	10	FECE	
Cc1nc2cc(NC(=O)C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)ccc2o1	785292900	CBRJSTYTAYXWGU-JTQLQIEISA-N	369.377	2.233	10	10	FECE	
O=C1N(CCNCc2ccc(N3CCC(O)CC3)cc2)C[C@H]2CCCCN12	895342976	ITCRNGKMKFGTBW-LJQANCHMSA-N	372.513	2.027	10	10	FECE	
COC(=O)[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(O)c1	792180765	NYEMQAKSNMNTRS-IBGZPJMESA-N	374.412	2.372	10	10	FECE	
CCOCc1cc(CNC[C@H]2CCCCN2S(C)(=O)=O)ccc1OC	796513983	SDCNVHXVIRKQQZ-QGZVFWFLSA-N	370.515	2.135	10	10	FECE	
CN(C)c1ccc(CNC(=O)CCNC(=O)c2ccc(F)cc2F)cc1	15134825	WWYHMTDNNMVMFT-UHFFFAOYSA-N	361.392	2.467	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NOCCN(C)C)C1	1330820177	SNNYEJYEDMNZAF-UHFFFAOYSA-N	358.486	2.017	10	10	FECE	
CNc1cc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccn1	1528131305	VFCWCQUADLASIU-UHFFFAOYSA-N	369.469	2.302	10	10	FECE	
C[C@H]1CN(c2ccnc(C(=O)NCc3cccc(O)c3O)c2)C[C@@H](C)O1	1520508965	QECCRDOAJACCDE-BETUJISGSA-N	357.410	2.036	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)c1	1451108956	QVEDGOTUXVCLCA-SWLSCSKDSA-N	364.398	2.189	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCCn2c(O)nc3ccccc32)cc1	1465706291	VRQFRKIIMFNJFJ-UHFFFAOYSA-N	352.354	2.334	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cnc2ccccn12	1540536823	TUEAHMMRLQAKLE-UHFFFAOYSA-N	350.422	2.443	10	10	FECE	
COc1ccc(CNC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cc1C	1716453026	IQSHMTKGLYNEMP-JCGIZDLHSA-N	356.470	2.135	10	10	FECE	
COc1ccc(CNC(=O)/C=C/C(=O)N(C)Cc2ccccc2O)cc1	1631155086	OXWNISIGCHKYTA-VAWYXSNFSA-N	354.406	2.232	10	10	FECE	
CCc1csc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2O)n1	1639722217	QJQCPCIUEXMSFS-VIFPVBQESA-N	369.468	2.274	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC(N=[N+]=[N-])C2)C[C@@H]2COCC[C@H]21	2124538389	JDQNFXUXHZKGQD-YRGRVCCFSA-N	365.434	2.170	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN[C@@H]3CC=CC[C@H]3C)CC2)cc1	1655849885	HQXMTAUMDQBXNV-SLYNCCJLSA-N	359.514	2.122	10	10	FECE	
CC(C)NC(=O)Cn1c(C2CCC2)nnc1N(C)Cc1ccccc1O	1692565910	MPBUUOTWUKOOSV-UHFFFAOYSA-N	357.458	2.412	10	10	FECE	
COC(=O)[C@H](O)CNC(=O)/C=C/c1cc(C)n(-c2ccc(C)cc2)c1C	155351799	XGDHJJLSTQZCHN-RUJXFNLJSA-N	356.422	2.066	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)c1O	2139758427	QZSRJMWOZSANGE-GJZGRUSLSA-N	364.442	2.389	10	10	FECE	
CN[C@@H]1C(=O)Nc2cc(N3CC(CSC)C3)c(Br)cc21	2161137615	IVMBZKPEFJSXHP-ZDUSSCGKSA-N	356.289	2.461	10	10	FECE	
C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc(O)c(O)c1	2054401655	VNJVXMPFVKLWBG-NEPJUHHUSA-N	350.415	2.473	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COCC[C@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2060634137	VYIGGKMBOJGDGP-YNEHKIRRSA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060633817	RUESYGCSIFROLH-HSMVNMDESA-N	353.423	2.218	10	10	FECE	
COc1cc(N)c(N2C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C)C2)cc1OC	2106843264	HJNFVICURQTAHZ-ZJUUUORDSA-N	361.364	2.179	10	10	FECE	
COc1ccc([C@H](C)NCC2(O)CC(NC(=O)OC(C)(C)C)C2)c(O)c1	2107274452	WQBNFUDXQOVVPZ-GLIABKTBSA-N	366.458	2.470	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@H]2Nc2c(N)cccc2C(N)=O)C1	2108846384	WBTXPZQZTSUNDG-NJZAAPMLSA-N	360.458	2.425	10	10	FECE	
CC(C)(C)OC(=O)N[C@](C)(C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-])C(C)(C)O	2218746632	RHDVJMKUMPALHH-GLKRBJQHSA-N	355.439	2.388	10	10	FECE	
CCOc1ccc(N2CC(O)(C3CCN(C(=O)C(F)(F)F)CC3)C2)cc1	2235089976	NSMCQJSTGAEULN-UHFFFAOYSA-N	372.387	2.437	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@H]4C[C@@]4(CN)C3)ccc(N)c2C1	2272655160	LRNARXNISZZZKF-ZUOKHONESA-N	358.486	2.347	10	10	FECE	
O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc([N+](=O)[O-])o1	2313559003	OVFZVOXVTGIELW-UHFFFAOYSA-N	361.310	2.158	10	10	FECE	
CCOc1cccc(C=C2SC(=S)N([C@@H](C)C(=O)O)C2=O)c1O	2323692131	GTNSKOHWVQQAEM-QMMMGPOBSA-N	353.421	2.465	10	10	FECE	
CCC(CC)N(CCO)c1cc2c(cc1Br)[C@H](N)C(=O)N2	118712135	APAIQQIPTSVQFW-AWEZNQCLSA-N	356.264	2.388	10	10	FECE	
COc1cccc(C(=O)N2CCN(c3ccc4c(c3)CC(=O)N4C)CC2)c1	62576008	XMIJKKLMMYEMKJ-UHFFFAOYSA-N	365.433	2.177	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1ccc(O)nc1	122352523	SWCZJMVSMSEHIG-UHFFFAOYSA-N	366.465	2.249	10	10	FECE	
COc1ccc(N2CCN(C(=O)NC[C@H](C)Cn3ccnc3C)CC2)cc1	194875622	UFGVFUZATQZDQY-INIZCTEOSA-N	371.485	2.368	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCN(C(=O)c2ccoc2)CC1	373480825	NRXDDFBNRTUQIO-CYBMUJFWSA-N	372.421	2.290	10	10	FECE	
CO[C@H](C)CCS(=O)(=O)NCc1ccc(C)c(Br)c1O	2380722112	OGCRWXUBQBURIS-SNVBAGLBSA-N	366.277	2.308	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)NC1COCCOC1	813817290	AOLBLQRQWSFPRH-UHFFFAOYSA-N	373.247	2.102	10	10	FECE	
COCCOc1cccc(CN2C(=O)CN(Cc3ccccc3O)C2=O)c1	819164027	FIEKAGYIGZVYCP-UHFFFAOYSA-N	370.405	2.382	10	10	FECE	
CO[C@H](CS(=O)(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CC1	827183646	NWMREUGNSWJTJV-SJLPKXTDSA-N	369.483	2.128	10	10	FECE	
C[C@@H]1C[C@H](S(=O)(=O)NCc2cc(Br)ccc2O)CCO1	831521476	ALDVBVDJWNMWNE-BXKDBHETSA-N	364.261	2.142	10	10	FECE	
COC(=O)[C@H]1CSCCN(Cc2cc(Br)ccc2O)C1	840975814	AMNZBIGMIZEWPM-LLVKDONJSA-N	360.273	2.493	10	10	FECE	
C[C@H](N)[C@@H](C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	841783111	WGDMYXAZYGCNTP-NWDGAFQWSA-N	356.417	2.292	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)N(C)C3CCCCC3)C2)cc1	849416147	KWFLCLBQHYQZCB-OAHLLOKOSA-N	367.515	2.373	10	10	FECE	
COc1ccc(CN2C[C@H](C(=O)NCc3c(O)cccc3F)CC2=O)cc1	928711672	LCGUCHVJGCJNRV-CQSZACIVSA-N	372.396	2.205	10	10	FECE	
COc1ccc(N2CC[C@H](NCc3cnc(N4CCOCC4)s3)C2)cc1	850345803	KUWXLSUJKSDIFR-HNNXBMFYSA-N	374.510	2.357	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H](O)c3cccc(OC)c3)C2)cc1	855234299	WWTVDCCEUNHHPS-BEFAXECRSA-N	356.422	2.132	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H]3Cc4ccccc4CN3)C2)cc1	852901015	YDHSQBOGUJHQMW-FXAWDEMLSA-N	351.450	2.105	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCCC1SCCS1	850626381	SWGJGAPKWXYDON-UHFFFAOYSA-N	368.524	2.443	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cc(F)cc4nn[nH]c34)C2)cc1	855223001	APYCBGFEDMPIGW-GFCCVEGCSA-N	355.373	2.114	10	10	FECE	
CCOC(=O)C[C@@H](O)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C	863834870	NWDPWLHUWDJLND-GOSISDBHSA-N	358.438	2.067	10	10	FECE	
COC(=O)c1ccc(F)c2c1CN(Cc1cc3c(cc1O)OC[C@@H]3O)CC2	863293986	KQENJDXNHLYAGW-SFHVURJKSA-N	373.380	2.302	10	10	FECE	
O=C(NCCCSc1nccs1)N1C[C@@H]2[C@H]3CC[C@@H](NC3)[C@H]2C1	861609250	GMSYBVHJCZDSKB-RFQIPJPRSA-N	352.529	2.265	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CC[C@@H](Nc3ncccn3)C2)c([N+](=O)[O-])c1	1118124761	JFZLBYIWGLZDGV-KXQLTZBTSA-N	369.381	2.262	10	10	FECE	
NC(=O)CCCCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	779763208	OUPPQJNSTFJCSD-UHFFFAOYSA-N	369.412	2.419	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-c2ccncc2)nn1C	1138152906	SOFKGYYKIUUHSH-GFCCVEGCSA-N	352.394	2.254	10	10	FECE	
Cc1nn(Cc2ccccc2)c(N)c1C(=O)NCc1c(O)cccc1O	1304053555	NSEUCRZQGHBTEP-UHFFFAOYSA-N	352.394	2.163	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(CN2CCCC2=O)n1CC1CC1	1503488026	AOXWYLWUFFYRSF-UHFFFAOYSA-N	355.442	2.153	10	10	FECE	
CN(CC(=O)NC(C)(C)C)c1nnc(-c2sccc2O)n1CC1CC1	1518345043	OFRUNEONIJLDAW-UHFFFAOYSA-N	363.487	2.473	10	10	FECE	
CCON(CC)CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	1473727729	MSZQFSQBRWGXAZ-GASCZTMLSA-N	367.465	2.329	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1cccc(OCC(=O)N2CCCC2)c1	1540725232	NONWFRNIULIHHO-UHFFFAOYSA-N	370.405	2.280	10	10	FECE	
CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NCc1c(O)cccc1O	1558533250	ALQSZJSGIYIPIN-GFCCVEGCSA-N	352.456	2.052	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3C[C@H]4CN(C)C[C@@]4(C)C3)C2)cc1	1636353558	DLVMZAHZZJXJBC-FVJLSDCUSA-N	372.513	2.115	10	10	FECE	
CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1	1572297080	FITXDBMJRRVAIP-UMVBOHGHSA-N	363.458	2.112	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3CSC3(C)C)CC2)c(OC)c1	1681936645	NSFSRRJCGHGTMX-MRXNPFEDSA-N	365.499	2.429	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CCCS(=O)(=O)C1	1685909534	IDSIYLTWVXUOBO-INIZCTEOSA-N	365.499	2.005	10	10	FECE	
COC(=O)c1ccc(NC(=O)CCN2C(=O)[C@H](C)SC2=S)cc1	11636033	KYRVFQYGLFYBFR-VIFPVBQESA-N	352.437	2.051	10	10	FECE	
Cc1cccc(C(=O)N2CCCN(C(=O)c3cc(O)c(O)c(O)c3)CC2)c1	169846328	FTHIVUUWOITWNY-UHFFFAOYSA-N	370.405	2.100	10	10	FECE	
CCOc1cccc(CNCC(=O)Nc2cccc(NC(C)=O)c2)c1O	1860718134	AAJVGMPQYJSMSP-UHFFFAOYSA-N	357.410	2.478	10	10	FECE	
CCOc1cccc(CNCCC(=O)N2CCCC[C@@H]2CCO)c1O	1857864113	XNJZLNALJKNOKE-MRXNPFEDSA-N	350.459	2.034	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@H]1CC(=O)CCO1	1951991741	BUCIRXCZGBNQQM-CZUORRHYSA-N	351.399	2.282	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)Nc1ccc(N)cc1	2044245933	PFPGDECMXXJJMG-KGLIPLIRSA-N	350.419	2.073	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCC[C@H](N=[N+]=[N-])C2)CO1	2060610364	HCXLCABUYFSRPX-AVGNSLFASA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CNC(=O)COc1ccc(N)cc1	2106238796	FQXLGSAEBCTSPT-XJKSGUPXSA-N	363.458	2.457	10	10	FECE	
C[C@H](O)c1ccc(N2CC(S(=O)(=O)C(F)F)C2)cc1Br	2206680128	DDIFZWCZZFUSIY-ZETCQYMHSA-N	370.215	2.328	10	10	FECE	
C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)c1ccc2c(c1)OCCO2	2257630306	HDGYRPBYKQMKCV-CYBMUJFWSA-N	352.431	2.170	10	10	FECE	
CC[C@H](C)N1C(=O)C(=CNc2ccc3oc(=O)ccc3c2)C(=O)NC1=S	2296552755	MCTSDDOUOTXNDT-JTQLQIEISA-N	371.418	2.131	10	10	FECE	
Cc1cc(C=CC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c(C)n1-c1ccccc1	2299172375	FTWCOYVVXMEDFU-RBUKOAKNSA-N	367.449	2.256	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N1CCN(C(=O)Cc2ccccc2)CC1	2307990280	GHVLURNFSVVSSV-UHFFFAOYSA-N	366.417	2.025	10	10	FECE	
COc1cc(Cl)cc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)c1O	184677033	OWZSAIHFQKKIQW-ZDUSSCGKSA-N	368.861	2.125	10	10	FECE	
COc1cc(OC)c2c(c1)C(=O)c1cc(OC)c([C@H](C)O)c(O)c1C2=O	34892480	MJBSYKMZXOBEFD-QMMMGPOBSA-N	358.346	2.247	10	10	FECE	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2ccnn2C)cc1	278095786	YKEXXAIEUCKOKX-LJQANCHMSA-N	356.470	2.236	10	10	FECE	
CN1CCCc2cc(CNC(=O)C(=O)NCc3ccc(Cl)cn3)ccc21	285683832	JTSSXKKCXKKAON-UHFFFAOYSA-N	372.856	2.050	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)c1ccnc(-n2cncn2)c1	804734143	DTUIEJILJLTYAA-UHFFFAOYSA-N	374.198	2.060	10	10	FECE	
C[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1NC(=O)OC(C)(C)C	2132402261	CRMPBNPDWRCZHW-JQWIXIFHSA-N	366.414	2.179	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@]2(CCNC2)C1	817973318	CPLULDNWUDEWSZ-OAQYLSRUSA-N	373.497	2.123	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc(N)cc2)[C@H]2COC[C@@H]21	2132572910	XCVXMCMLWISLHA-GJZGRUSLSA-N	362.430	2.121	10	10	FECE	
O=S(=O)(CCC[C@H]1CCOC1)NCCCSc1nccs1	827149720	SYJLHVBAKHZCPU-LBPRGKRZSA-N	350.531	2.361	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21	830695744	SVBXZFSOTOUUPH-OAHLLOKOSA-N	361.394	2.222	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc(C(=O)O)c(C)n3)CC2)cc1	915658519	AFKKXPLIMPJORH-UHFFFAOYSA-N	355.394	2.059	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN3C[C@@H]4CCCC[C@H]4C3)CC2)cc1	750060448	BOUXRYUPEHDPFH-ROUUACIJSA-N	357.498	2.466	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3ccc4c(c3)CNC4)C2)cc1	851663732	HJNRVALHLJPLGB-GOSISDBHSA-N	366.465	2.377	10	10	FECE	
CO[C@@H]1CCC[C@@H]([C@H](CO)NCc2ccc(N3CCOCC3)c(F)c2)C1	850353450	DDEIZAWJYKQILM-LMMKCTJWSA-N	366.477	2.318	10	10	FECE	
C[S@@](=O)(=NS(=O)(=O)NCc1c(O)cccc1F)C1CCCCC1	921450549	AOQKPBBQGHXGKG-QFIPXVFZSA-N	364.464	2.296	10	10	FECE	
CN(C)CCN(C(=O)OC(C)(C)C)[C@H](CN)c1ccc2c(c1)CCN2C	698357929	XVWHDKOTUKTODV-GOSISDBHSA-N	362.518	2.477	10	10	FECE	
Cc1c(S(=O)(=O)N[C@@H](C)c2ccccc2O)coc1C(=O)N(C)C	867836139	HFDNZMKLHCSQBG-NSHDSACASA-N	352.412	2.035	10	10	FECE	
COc1ccc(O)c([C@H](C)NCc2ccc(CN3C(=O)CNC3=O)cc2)c1	866522670	XIWRNPLTNGKXJC-ZDUSSCGKSA-N	369.421	2.303	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)CC3CSC3)cc2F)CC1	865202881	VTXRIMLSZIXQBH-UHFFFAOYSA-N	351.491	2.337	10	10	FECE	
COC(=O)Cc1sccc1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	869229608	ZDBRQTUEJJSXNP-CYBMUJFWSA-N	374.462	2.481	10	10	FECE	
COc1cc(Br)cc(CN2CCN3C(=O)OCC[C@@H]3C2)c1O	770391202	MIUAIVVTCMBKHV-GFCCVEGCSA-N	371.231	2.190	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N2CCC(c3ccccn3)CC2)cc1	785421764	FNKUBVIDVWZZHQ-UHFFFAOYSA-N	366.465	2.170	10	10	FECE	
COCCOc1ncccc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	797623031	FUMKCVWAZATIQB-LBPRGKRZSA-N	361.398	2.271	10	10	FECE	
COc1ccc(CNC(=O)C(=O)Nc2cccc([C@H](C)OC)c2)c(O)c1	797389499	LAIHACBZRKUQCY-LBPRGKRZSA-N	358.394	2.363	10	10	FECE	
Cc1nn(C)c(C)c1N/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O	1084124550	SEPVCGGEAWXDNE-MDWZMJQESA-N	373.800	2.269	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)NCCCCN=[N+]=[N-]	1963733075	URBIGAQDAGBDQR-CHWSQXEVSA-N	355.439	2.465	10	10	FECE	
O=C(NCCc1cnc2c(Cl)cnn2c1)NCc1c(O)cccc1F	1312750177	MDZMZPQSSLUISW-UHFFFAOYSA-N	363.780	2.269	10	10	FECE	
C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1O)N(C)C	1288646789	FUVVPLBDVZCECB-GOEBONIOSA-N	359.474	2.074	10	10	FECE	
Cc1cc(C(=O)NCc2nc(C(N)=O)co2)c(C)n1-c1ccc(F)cc1	1453212775	UZDQCRVFQVCZNI-UHFFFAOYSA-N	356.357	2.250	10	10	FECE	
Cc1c(C(=O)NCc2ccc(O)cc2O)nnn1Cc1ccc(F)cc1F	1299574504	RIODODIXIUWBRR-UHFFFAOYSA-N	374.347	2.254	10	10	FECE	
CCC[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1cc(O)ccc1O	1455357195	PRAVMWWNQKHOJE-KRWDZBQOSA-N	356.422	2.242	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2C[C@@H]1CN(c1cc3c(cc1N)NC(=O)CC3)C2	2117044600	VKSGHCUVRSEZCH-BETUJISGSA-N	358.442	2.352	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cc(F)ccc3N)cc2)C1	1544929658	KGGQREAXGDPYKV-AWEZNQCLSA-N	370.428	2.040	10	10	FECE	
COc1ccc(CNC[C@H](C)N(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1C	1496117020	STWUVDPFUZNJLN-HEHWYMARSA-N	358.482	2.364	10	10	FECE	
C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N(C)Cc1ccccc1O	2124381437	QXZLXPBBRRZDJP-CZUORRHYSA-N	364.442	2.375	10	10	FECE	
CC(C)(C)OC(=O)[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1C1CC1	1634162057	GUHDPQUTNWUWSV-LSDHHAIUSA-N	361.438	2.467	10	10	FECE	
COC[C@@H](NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C)c1nn[nH]n1	1644688755	GGLHAKUIMRAFKN-QGZVFWFLSA-N	368.441	2.342	10	10	FECE	
Cn1cc(C(=O)NCC2(CN=[N+]=[N-])CC2)c(CNC(=O)OC(C)(C)C)n1	2124541341	RKWIRHHOJZICDO-UHFFFAOYSA-N	363.422	2.265	10	10	FECE	
CCOc1cccc(CN[C@]2(CO)CCN(C(=O)OC(C)(C)C)C2)c1O	2133733433	BGFNGXCSMPUCCW-LJQANCHMSA-N	366.458	2.252	10	10	FECE	
O=S1(=O)C[C@@H]2CC(NCc3ccc(Br)cc3O)C[C@H]2C1	1974482722	DKGFDRKZTFMPBZ-QWRGUYRKSA-N	360.273	2.068	10	10	FECE	
CCN[C@H](C)c1ccc(N2CC(S(C)(=O)=O)C2)c(Br)c1	2152286387	YMSWTSDLACKHST-SNVBAGLBSA-N	361.305	2.353	10	10	FECE	
Nc1ccc(O)c(CN2C[C@H]3[C@H]4CC[C@@H]([C@H]3C2)N(C(=O)C(F)(F)F)C4)c1	2162970329	XSSISSUNUVAICY-HJPIBITLSA-N	369.387	2.206	10	10	FECE	
CC(C)(C)OC(=O)NC1CC(CC(=O)NCCc2ccc(O)c(O)c2)C1	1150487937	LBEJCKJCELJQIX-UHFFFAOYSA-N	364.442	2.450	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1CC(=O)C(=O)C[C@H]1C[C@H](N)C1	2049785942	HIPTUJRFDXCLPK-MGPQQGTHSA-N	350.459	2.432	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(N=[N+]=[N-])CC1)[C@@H]1CCCO1	2060638653	ZNKYHBBCYZWDNF-STQMWFEESA-N	353.423	2.360	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H](O)C1(C)C	2073245021	CYTRDLMAAUKUKI-BZNIZROVSA-N	355.439	2.200	10	10	FECE	
C[C@@H]1C[C@](O)([C@H](N)c2ccc3c(c2)CCN3C)CN1C(=O)OC(C)(C)C	2106848357	HSOUUDQIBIWJEP-YXKFXFPPSA-N	361.486	2.439	10	10	FECE	
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1c(O)cccc1Br	2114228342	OSOABGSOANNOTC-UWVGGRQHSA-N	350.278	2.408	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])CCCO1	2218737363	GYNDWZITBHILET-HSMVNMDESA-N	353.423	2.408	10	10	FECE	
C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-]	2218737879	LJSULGGJPISWFT-VOAKCMCISA-N	353.423	2.358	10	10	FECE	
COc1ccccc1C=C1C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O	2294130768	GHBAXBPSQSZGHS-UHFFFAOYSA-N	366.329	2.090	10	10	FECE	
COc1cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)ccc1O	2294199347	VOCYPJOMHFBTPA-UHFFFAOYSA-N	372.377	2.371	10	10	FECE	
O=C(NCCCn1ccnc1)c1cccc2c1C(=O)c1ccccc1C2=O	175276814	IXGBXWVOJAMMJX-UHFFFAOYSA-N	359.385	2.479	10	10	FECE	
CCCn1nccc1NC(=O)C(=O)Nc1ccc(C2=S=CC(C)=N2)cc1	509894345	DQFQBBAQYLCUOR-UHFFFAOYSA-N	369.450	2.358	10	10	FECE	
CCN(CC)[C@@H](C)CNC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	84891570	MWWPNSIIINWXIX-HNNXBMFYSA-N	366.481	2.396	10	10	FECE	
O=C(c1cccc(O)c1O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1	192883687	CMDBUYNRADBKTL-UHFFFAOYSA-N	367.327	2.474	10	10	FECE	
CC(=O)N(C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N)cc1	242699136	CYMRZRQGWBLORI-UHFFFAOYSA-N	362.430	2.294	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCC[C@H](c3ccncn3)C2)cc1	361644560	OHPWNUCPFFCLGN-KRWDZBQOSA-N	353.470	2.038	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)[C@@H]1CCc2n[nH]cc2C1	804738426	PSZGCVNFKLIFOW-SECBINFHSA-N	350.216	2.299	10	10	FECE	
O=C(CC(F)(F)F)NC[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1	804202184	MBWLCHWBAXPEQR-JTQLQIEISA-N	360.332	2.019	10	10	FECE	
CCOc1ccc(CN2CCC(C(=O)Nc3nncs3)CC2)c(O)c1	809733703	DYMJWJAIQPJCIC-UHFFFAOYSA-N	362.455	2.493	10	10	FECE	
O=C(NCCCSc1nccs1)[C@@H]1CCc2nnc(C3CC3)n2C1	815590962	QQKVIKDEZBAUFM-GFCCVEGCSA-N	363.512	2.473	10	10	FECE	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H]2COC(=O)N2)cc1	823232888	JTNAHQYFFMGCLO-GOSISDBHSA-N	369.421	2.403	10	10	FECE	
CO[C@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCCC1	822938828	ZCJOAQXXSDJUIY-HKUYNNGSSA-N	373.497	2.210	10	10	FECE	
C[C@H](N)C[C@H](C)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	831143272	MUACKLZFNQAEJP-IRXDYDNUSA-N	373.545	2.144	10	10	FECE	
COCC(C)(C)CC(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1	839735216	YREAEGVMMMBQGM-UHFFFAOYSA-N	361.486	2.034	10	10	FECE	
COC/C(C)=C\C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	844463114	AYEFTROYRDWBMA-LGMDPLHJSA-N	357.498	2.428	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC(O)(C2CCC2)CC1	914334780	FDROLWFNYLUOMW-UHFFFAOYSA-N	373.497	2.360	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)NCC1CC2(C1)OCCO2	927093850	UJVXJDJXWFPXOY-UHFFFAOYSA-N	371.231	2.107	10	10	FECE	
COc1ccc(N2CC[C@H](CNS(=O)(=O)[C@H]3COC(C)(C)C3)C2)cc1	859196133	LVSHATIDBGYGLN-RHSMWYFYSA-N	368.499	2.008	10	10	FECE	
COc1cc(N2CCN(Cc3ncc(C)cn3)CC2)cc(OC)c1OC	759879370	STKDSCABOGOACE-UHFFFAOYSA-N	358.442	2.133	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3c[nH]nc3[C@H]3CCCO3)CC2)cc1	864470541	JTYSUSHYHXYPFR-QGZVFWFLSA-N	356.426	2.232	10	10	FECE	
COc1ccc(N2CCN(CCNc3ccc([C@@H](C)O)cn3)CC2)cc1	865475539	CSNQLEBOTCJLIZ-MRXNPFEDSA-N	356.470	2.378	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCC(=O)NC2CC2)C1	769665412	RPFPYBWYDVBKPN-UHFFFAOYSA-N	369.465	2.230	10	10	FECE	
CC[S@@](C)(=O)=NS(=O)(=O)N(Cc1ccccc1O)C1CCCC1	866842936	GRJGFHUUMYRJQO-JOCHJYFZSA-N	360.501	2.499	10	10	FECE	
Oc1cccc(Br)c1CNCc1nc(C2CCOCC2)n[nH]1	865686630	PUSHRRIRLLQEGB-UHFFFAOYSA-N	367.247	2.457	10	10	FECE	
COc1cccc(CNC(=O)c2cc(O)ncc2Br)c1O	1137473727	UCXDVCXFEUBERG-UHFFFAOYSA-N	353.172	2.194	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C(C)=C\c1ccncc1	1327095580	BJTAJMWYBCVUBK-DDKJEQMHSA-N	370.405	2.187	10	10	FECE	
O=C(NCC[C@@H]1CC[C@H]2C[C@H]12)C(=O)NCc1ccc(N2CCCC2)cc1	1334573279	HSDJINVFXXZDNM-JENIJYKNSA-N	355.482	2.455	10	10	FECE	
COC1CCN(c2ccc(CN3CCC(S(C)(=O)=O)CC3)cc2)CC1	1191494999	DVXGJKZKHQMBGZ-UHFFFAOYSA-N	366.527	2.311	10	10	FECE	
CCN(CCNCc1ccc(OC)c(C)c1)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1	1268480474	ILCDPYUHRBEDFA-RBUKOAKNSA-N	370.497	2.479	10	10	FECE	
C[C@H](NC(=O)C(=O)NCCCSc1nccs1)c1cncs1	1262252682	XVEXTXYTVQIJRJ-VIFPVBQESA-N	356.498	2.075	10	10	FECE	
CC(C)c1oncc1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	1455867115	OHLXNCBAWAOGRM-UHFFFAOYSA-N	370.453	2.430	10	10	FECE	
COc1ccc(CNC[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1C	1715233063	FUOORVNIYKQPBJ-KBRIMQKVSA-N	356.470	2.372	10	10	FECE	
C[C@@H](NC(=O)CCCCn1cnc2c(N)ncnc21)c1ccccc1O	1557968480	ZWSYNYWADFMBKH-GFCCVEGCSA-N	354.414	2.162	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c(C)nnc1N(C)CC(=O)NC(C)(C)C	1724236116	QUXCJNFEJDZUAK-UHFFFAOYSA-N	372.517	2.360	10	10	FECE	
CCCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(O)cc2O)cc1	1630301834	JQOLIFSPJGJIHE-UHFFFAOYSA-N	364.423	2.180	10	10	FECE	
CNC(=O)c1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c(OC)c1	1640882688	CIOMZFIBCDKCRN-UHFFFAOYSA-N	355.354	2.470	10	10	FECE	
C[C@H]1CCCN(S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1	158134508	ABCXLVQSAYIHBG-RDJZCZTQSA-N	368.499	2.350	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@](C)(CNCc2ccc(O)c(O)c2)C1	2135091616	ITQVEGYYKCTWHH-LJQANCHMSA-N	366.458	2.461	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccccc1O)[C@H]1CCCO1	1969154044	HUXKDGWPKBGWPI-HUUCEWRRSA-N	350.415	2.081	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCO1	1968856806	CPDDBIWTFKZTQN-HZPDHXFCSA-N	364.442	2.423	10	10	FECE	
CCOc1cccc(CNCCOCCNC(=O)OC(C)(C)C)c1O	2038458243	WSRFHNLCZJGBTG-UHFFFAOYSA-N	354.447	2.422	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@H](Cc1ncns1)NC(=O)OC(C)(C)C	2060639819	MEBRDIISQVLBBI-SNVBAGLBSA-N	369.451	2.133	10	10	FECE	
CC(C)(C)OC(=O)NCCc1nc(=NCc2ccc(Cl)cc2O)[nH][nH]1	2063196010	OZRPMUDKPAMULU-UHFFFAOYSA-N	367.837	2.265	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(CN1CC(=O)Nc1ccc(N)cc1)C2	2106769789	WNRIUOBPVODXKS-UHFFFAOYSA-N	360.458	2.196	10	10	FECE	
[N-]=[N+]=NCCN[C@]1(C(=O)O)CN(Cc2ccccc2)C2(CCOCC2)C1	2100055716	PFBFKHYXCLMLAI-SFHVURJKSA-N	359.430	2.165	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])CO1	2218739895	HITGUMZWTYGBAO-CYDGBPFRSA-N	353.423	2.358	10	10	FECE	
CC(C)(C)OC(=O)NC1CN(C2CCN(CCc3ccc(N)cc3)CC2)C1	2233411057	NZPATQHDOWBKAV-UHFFFAOYSA-N	374.529	2.485	10	10	FECE	
C[C@@H]1O[C@]2(C(=O)N3CC[C@@H](CN=[N+]=[N-])C3)C[C@@]1(NC(=O)OC(C)(C)C)C2	2266071084	VBGHIJVUPLFMPF-SYWGBEHUSA-N	365.434	2.360	10	10	FECE	
O=C1C(=Cc2ccc(F)cc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1	2296663492	ZAGIRWNHLSYIMT-NSHDSACASA-N	357.453	2.214	10	10	FECE	
COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3)C2=O)cc1	2297340182	JOBNOTDCVBAWGK-UHFFFAOYSA-N	350.330	2.140	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CC[C@H](C2)[C@H]1CC(=O)C(=O)C[C@H]1C[C@H](N)C1	2309916049	OMYCICLVPLORNZ-ARILJUKYSA-N	350.459	2.430	10	10	FECE	
C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(O)c(O)cc2C1	2341199569	WKGRVCXFPOHGMZ-NSPYISDASA-N	362.426	2.286	10	10	FECE	
COc1ccc(N2CCN(c3nccn4c(C5CC5)nnc34)CC2)cc1	302215988	OXWRDUYJZBCWJV-UHFFFAOYSA-N	350.426	2.337	10	10	FECE	
CCCOc1ccc(CN2CCN(CC(=O)N[C@@H](C)CC)CC2)c(O)c1	129119760	NSDYIUULOOXLGN-INIZCTEOSA-N	363.502	2.213	10	10	FECE	
COc1cc(N2CCN(C(=O)CCSC)CC2)cc(OC)c1OC	274053268	UPYLMCYOMOFAEZ-UHFFFAOYSA-N	354.472	2.114	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CC[C@H](CC(F)(F)F)C3)nc12	278723518	KUQRLHIFYPSKHZ-SNVBAGLBSA-N	372.347	2.386	10	10	FECE	
Cc1ccc(CNC(=O)C[C@H](N)C(F)(F)F)c(O)c1Br	2380752348	UYOCODPQBIIXPA-QMMMGPOBSA-N	355.154	2.359	10	10	FECE	
CCN1CC[C@@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1=O	802532079	HFIWZFVTQZJWNX-GOSISDBHSA-N	358.486	2.439	10	10	FECE	
COC[C@H]1CCCN(C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1	817833713	OKEXBGGVRUUADR-CVEARBPZSA-N	361.486	2.205	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)N[C@H]3CC34CC4)CC2)cc1	823862672	WEKXEASVXHOPJJ-SFHVURJKSA-N	358.486	2.059	10	10	FECE	
CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(O)cc1COC	840917644	LNICKMBUOUUUJS-UHFFFAOYSA-N	369.395	2.281	10	10	FECE	
COc1cccc(CNc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)c1O	848562217	ITTDVYIJTRPGET-LJQANCHMSA-N	355.394	2.410	10	10	FECE	
C[C@H]1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCO1	922821706	CZMNTBVUKBFPPZ-ZDUSSCGKSA-N	369.412	2.122	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CCNC(=O)c3cccs3)C2)cc1	855229805	QQHVEUVYLQGLHR-AWEZNQCLSA-N	373.478	2.272	10	10	FECE	
Cc1cccc(CN2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)c1O	853249133	NKBUGWSAJCKACX-INIZCTEOSA-N	355.486	2.213	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C3=CCN(C)CC3)C2)cc1	852248539	IKRLXYNFIXISDK-RDJZCZTQSA-N	358.486	2.224	10	10	FECE	
Cc1cn(C)nc1NC(=O)C(=O)NCc1cc(C)n(-c2ccccc2)c1C	862109301	PNSZOXXIYTWOPH-UHFFFAOYSA-N	365.437	2.391	10	10	FECE	
COc1cccc(CNC(=O)C(=O)Nc2ccc3oc(C)nc3c2)c1O	774263132	WKJDYWOKACXXOT-UHFFFAOYSA-N	355.350	2.105	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)OCC(=O)N1CCC(c2ccccc2)=N1	772773051	AUANOEWAEHWXAT-VQHVLOKHSA-N	366.373	2.291	10	10	FECE	
CCOc1ccccc1N1C[C@H](C(=O)NCc2cccc(O)c2O)CC1=O	1123890529	ZHUWCOSVFNIRFR-CQSZACIVSA-N	370.405	2.166	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CC[C@@H]1CC[C@@H](C2OCCO2)O1	895485169	LRCLSKQFYIUEEC-ROUUACIJSA-N	362.470	2.412	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)C3CN([C@H]4CCOC4)C3)cc2)CC1	896264680	HCFHKRDJTOZWEW-FQEVSTJZSA-N	357.498	2.260	10	10	FECE	
CN(CCN(C)[C@@H](CN)c1ccc2c(c1)CCN2C)C(=O)OC(C)(C)C	1881770011	DIASYXUHAJAQES-SFHVURJKSA-N	362.518	2.477	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@@H]4C[C@@H]4C3)cc2)CC1	894593341	RISHFIDOIXKMTL-KZNAEPCWSA-N	355.482	2.441	10	10	FECE	
CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NCc1cccc(O)c1O	1263894809	WHHFCWVQORJCIG-MRXNPFEDSA-N	356.422	2.242	10	10	FECE	
COC(=O)c1ccn(CCCC(=O)Nc2c(Cl)ccc3nonc23)n1	1543805901	PFBDXWHKCWRJFM-UHFFFAOYSA-N	363.761	2.278	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(C(=O)N2CCCC2)n1	1623573822	FLYJIWAZOMTHCU-UHFFFAOYSA-N	374.437	2.439	10	10	FECE	
CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)c2ccc(N=NC(N)=O)cc2)C1	1556883031	IBUSQONNMBSTKR-NUEKZKHPSA-N	357.414	2.226	10	10	FECE	
CC(C)(C)OC(=O)NOCCCNC(=O)/C=C\c1ccc(O)c(O)c1	1639612376	UZBZLGPSWQFRTE-VURMDHGXSA-N	352.387	2.074	10	10	FECE	
CNC(=O)c1ccc(Sc2ncc(C(=O)OC)s2)c([N+](=O)[O-])c1	1651883572	CLWHKILHYKIBBL-UHFFFAOYSA-N	353.381	2.349	10	10	FECE	
COC(=O)c1ccc(NC(=O)CCCN2C(=O)[C@H](C)SC2=S)cc1	11636205	MRIPTJKQDZJTOP-JTQLQIEISA-N	366.464	2.441	10	10	FECE	
Cc1cc(Br)cn(CC(=O)N(C)c2ccc(N)cc2)c1=O	161446564	RJNZXEFTMKECMN-UHFFFAOYSA-N	350.216	2.164	10	10	FECE	
Cc1cc(C(=O)N[C@@H]2CCC(=O)NC2=O)c(C)n1-c1cccc(Cl)c1	153255690	XPDRHNFCVPKWEE-OAHLLOKOSA-N	359.813	2.283	10	10	FECE	
C[C@H](O)[C@@H](C(=O)O)N1C(=O)/C(=C\c2cc(Cl)ccc2O)SC1=S	1858596438	TUBVRSSLFPCFRC-SWEZDKRISA-N	373.839	2.081	10	10	FECE	
CCN[C@H](c1ccccc1O)[C@@H](O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	2136008505	JAZAADZNEZXSCM-ZACQAIPSSA-N	366.458	2.040	10	10	FECE	
CCN[C@@H](C)c1ccc(N(C)C2CS(=O)(=O)C2)cc1Br	2152240606	SVCVABXGNZZKIP-JTQLQIEISA-N	361.305	2.353	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N2CCC(N=[N+]=[N-])CC2)C1	2060638106	SDVWTZXBDWKZRH-ZDUSSCGKSA-N	353.423	2.314	10	10	FECE	
COC1(C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)CN(C(=O)OC(C)(C)C)C1	2060642582	ZDDAFJPKXUZVRU-LBPRGKRZSA-N	353.423	2.314	10	10	FECE	
C[C@H]1CN(c2cc3c(cc2N)OCC(=O)N3)CCN1C(=O)OC(C)(C)C	2106715259	WRSIVZGFZRGFKH-NSHDSACASA-N	362.430	2.045	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])C1	2218743881	GYZKSCFJAQFJJQ-RYUDHWBXSA-N	353.423	2.360	10	10	FECE	
CCc1ccc(C=C2SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)cc1	2293039480	BGFCVKUXYZMECY-NSHDSACASA-N	365.432	2.378	10	10	FECE	
CN(C)CCOC(=O)CCN1C(=O)C(=Cc2cccs2)SC1=S	2297469764	CXSBICVJYBGJGG-UHFFFAOYSA-N	370.521	2.444	10	10	FECE	
COc1ccc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1	2313574242	MUPJEZMTXSUUBN-UHFFFAOYSA-N	366.329	2.090	10	10	FECE	
CCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O	6612158	JQGZOMOGXVTNIL-UHFFFAOYSA-N	367.405	2.396	10	10	FECE	
O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/c1ccc2c(c1)OCO2	59859980	MXLSAXWYHAMZQM-XNTDXEJSSA-N	364.357	2.120	10	10	FECE	
CCN(C)c1cccc(NC(=O)c2ccc3c(=O)n(CC)c(=O)[nH]c3c2)c1	109684846	WOYLCRUFYOZYCW-UHFFFAOYSA-N	366.421	2.418	10	10	FECE	
O=C1N=C(Nc2cc(C(=O)O)cc(C(=O)O)c2)S/C1=C/c1ccc[nH]1	101143317	HGAKQXXQTJHJFA-KPKJPENVSA-N	357.347	2.494	10	10	FECE	
COc1c(C(=O)NCc2ccc3c(c2)CCCN3C)cnc2c1cnn2C	182494721	PTAVNYHLAPKABF-UHFFFAOYSA-N	365.437	2.289	10	10	FECE	
CC(C)(C)OC(=O)NC1(CNC(=O)c2cc(O)c(O)c(O)c2)CCCC1	1148590213	ZGNGPMISKHZTTC-UHFFFAOYSA-N	366.414	2.371	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)c2cc3c(=O)[nH]cnc3cn2)cc1	186892270	LRHOCUUKUKQFAL-UHFFFAOYSA-N	351.410	2.094	10	10	FECE	
CN(C)c1ccncc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	183593984	CKDSZQWNDVPDAH-UHFFFAOYSA-N	372.444	2.178	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1	237221941	PGUJZSIHUBPROL-HOJAQTOUSA-N	357.498	2.402	10	10	FECE	
C[C@@H](CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1)CN1CCCC1	255333594	HLCDGHQBORJQCM-KKMIYCERSA-N	357.498	2.385	10	10	FECE	
COc1cc(N2CCN(C[C@H](O)C(C)(C)C)CC2)cc(OC)c1OC	289987273	QZSMRSNOPLXOHC-KRWDZBQOSA-N	352.475	2.241	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)C(=O)c1ccc(O)cc1	804735708	HGWHAMBMLAEXPG-UHFFFAOYSA-N	350.168	2.359	10	10	FECE	
CC1(C)Oc2cc(C(=O)O)ccc2N(OCCOc2ccc(N)cc2)C1=O	821300861	ZXTUVKIFOKPXRY-UHFFFAOYSA-N	372.377	2.482	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)cc1	855228913	HSNUFLDPSPJFSN-CVEARBPZSA-N	371.481	2.181	10	10	FECE	
CS(=O)(=O)C1CCC(CNC(=O)N2Cc3cccc(O)c3C2)CC1	924285661	GPDAZUVHHMOKSN-UHFFFAOYSA-N	352.456	2.021	10	10	FECE	
CCN1CCC(N2CCC(C(=O)NCc3c(O)cccc3F)CC2)CC1	928708562	PCYAEQAQANMVFM-UHFFFAOYSA-N	363.477	2.344	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@@H]3[C@@H]5OC)C2)cc1	854297929	TWADUVCWJBLEGW-ITWPWFMSSA-N	371.481	2.339	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)B(O)OC2	863871448	NXQZUPLUBCXQPH-UHFFFAOYSA-N	352.243	2.021	10	10	FECE	
COc1ccc(N2CC[C@H](N3C(=O)[C@@H]4c5ccoc5CCN4C3=O)C2)cc1	863513017	WUGUPSOKSXDUFG-KSSFIOAISA-N	367.405	2.429	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)[C@H]3CCc4cccc(O)c43)cc2)CC1	881853491	YBLSJDWYLYGVCJ-IBGZPJMESA-N	365.477	2.490	10	10	FECE	
CC(=O)c1cncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1	891243553	QEXYJJORHCUMAN-IBGZPJMESA-N	354.454	2.383	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)CC3CC(C)(C)C3)nc12	796277584	MYPNBILJUUPBJA-UHFFFAOYSA-N	361.398	2.481	10	10	FECE	
Cc1nc2ccccc2c(=O)n1CC(=O)NCc1ccc2cccnc2c1O	1142727801	FYPHTDSJIJXBLT-UHFFFAOYSA-N	374.400	2.275	10	10	FECE	
C[C@H](N[C@H](C)C1(S(C)(=O)=O)CC1)c1ccc(N2CCOCC2)c(F)c1	797070807	SRRPKDXSRIMKGH-UONOGXRCSA-N	370.490	2.279	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CC(=O)NCc1c(O)cccc1O)C1CC1	1304053773	RTKTVFKHTLHJBK-ZDUSSCGKSA-N	350.415	2.407	10	10	FECE	
CCS(=O)(=O)c1cccc(CC(=O)NCc2c(O)cccc2F)c1	1303875388	HBAVXDYAIRTHHI-UHFFFAOYSA-N	351.399	2.184	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@H]2CCOC2)n1C[C@@H]1CC=CCO1	1314753431	PIKGXHFPZNBBDV-IRXDYDNUSA-N	370.453	2.469	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3Cc4cccnc4C3)CC2)cc1F	1351635418	JUCVDGFRYPIISV-HNNXBMFYSA-N	355.413	2.293	10	10	FECE	
Cc1cc(C(=O)Nn2ccc(O)nc2=O)c(C)n1-c1cccc(Cl)c1	1454275375	YOVUKDSYHCCNSY-UHFFFAOYSA-N	358.785	2.394	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NCc1c(O)cccc1O	1456319072	NOVMXWOFGDZIMN-AWEZNQCLSA-N	350.415	2.360	10	10	FECE	
Cc1noc(C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)c2ccccc2)n1	1466850884	JFLBVLCQEMKMSH-OAHLLOKOSA-N	353.378	2.432	10	10	FECE	
CCON(CC)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	1473727733	MSZQFSQBRWGXAZ-HUUCEWRRSA-N	367.465	2.329	10	10	FECE	
C[C@@H](NCC1(CCO)CN(C(=O)OC(C)(C)C)C1)c1ccc(O)cc1O	2119202434	HSUSFSZZODJJNF-CYBMUJFWSA-N	366.458	2.368	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3C[C@H](C)O[C@@H]3C)CC2)c(OC)c1	1479112112	KCUNYDVPTAYOAM-SQWLQELKSA-N	363.458	2.101	10	10	FECE	
CCN1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)[C@H](C)C1	1638923536	VQKONVBQAXLGNO-VQIMIIECSA-N	361.534	2.091	10	10	FECE	
CCOC(=O)c1cnn2c(C(=O)N[C@@H](C)c3ccccc3O)ccnc12	1643745371	MPCJFMHOYWJFRB-NSHDSACASA-N	354.366	2.103	10	10	FECE	
CN(C)c1ccc([C@H](CNS(=O)(=O)c2cccc(F)c2)N(C)C)cc1	5098866	MSBPIIYKYQWCOZ-SFHVURJKSA-N	365.474	2.473	10	10	FECE	
COc1ccc(N2CCC(NC(=O)NCC[C@@H](C)[S@@](C)=O)CC2)cc1	165794133	UAHKITBKKDKBAO-PWECECGKSA-N	367.515	2.120	10	10	FECE	
C[C@@H](O)c1ccc(N2CC[C@H](CS(C)(=O)=O)C2)cc1Br	2143670634	FJALHQIXSVSFJH-MNOVXSKESA-N	362.289	2.373	10	10	FECE	
Cc1cccc(O)c1Cn1nc(C(=O)NC2CC2)c(N)c1C(F)(F)F	2079232517	YCHWGFFBQBUXHH-UHFFFAOYSA-N	354.332	2.439	10	10	FECE	
O=c1c2c(ccn1Cc1ncc(Br)cc1Cl)CCNC2	2183581170	HMXZLYZZKQAVAZ-UHFFFAOYSA-N	354.635	2.353	10	10	FECE	
CN(C)c1ccc([C@@H](O)C2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)cc1	2046275225	BRPLYZNSXJPHPH-CQSZACIVSA-N	350.415	2.108	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CCC[C@@H]2C[C@H]21	2049782825	NLYKZBVUHTVMEA-SQLCKSLESA-N	350.459	2.336	10	10	FECE	
CNCc1ccc(N2CC(N3CCSCC3)C2)cc1Br	2191160502	NFKGSGYSZIJCBG-UHFFFAOYSA-N	356.333	2.406	10	10	FECE	
C[C@H](NCC1(CNC(=O)OC(C)(C)C)COC1)c1cc(O)ccc1O	2056739401	WWFTZTMLPFCMQG-LBPRGKRZSA-N	352.431	2.290	10	10	FECE	
CO[C@H]1C[C@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2060613173	OMEKQWSPDDPEBG-RWMBFGLXSA-N	353.423	2.312	10	10	FECE	
C[C@H]1CN(CCCOc2ccc(N)cc2)CC[C@@H]1NC(=O)C(F)(F)F	2106683718	FVKIJSCUDLJFHT-WFASDCNBSA-N	359.392	2.427	10	10	FECE	
CN(C(=O)Cc1ccc(N)cc1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F	2320552781	UDFUEIFYKBGDSW-GJZGRUSLSA-N	351.422	2.227	10	10	FECE	
CC(C)N1CCO[C@@H](CN2CCN(Cc3cc(Cl)ccc3O)CC2)C1	121044299	DGUDPQOVIXPOEV-SFHVURJKSA-N	367.921	2.272	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@@H](CO)c1ccccc1	127278982	ZGIWWRQPARKWNB-ZBWUASRJSA-N	366.461	2.429	10	10	FECE	
CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1	2132417380	DAFGNZMAKSBXSG-LLVKDONJSA-N	366.414	2.180	10	10	FECE	
Cc1ccc(CN(C)C(=O)[C@H]2CNCCS2)c(O)c1Br	2380794212	YIAUKZLZBILRQY-LLVKDONJSA-N	359.289	2.127	10	10	FECE	
CC(C)n1ncc(C(=O)NCc2cc(Br)ccc2O)c1N	804739476	ZLTIUQNGQFHUIH-UHFFFAOYSA-N	353.220	2.444	10	10	FECE	
CC1(C)NC(=O)CC[C@@H]1NCc1ccc(N2CCN(CC3CC3)CC2)cc1	813859685	XPXIDLLVDUDCCO-FQEVSTJZSA-N	370.541	2.365	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)NCCCCF)CC2)cc1	812926795	IVKOCPJQPBDSID-UHFFFAOYSA-N	366.481	2.256	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@H]4C[C@@H]4C3)cc2)CC1	817447367	CBNQEKOZKCJVRP-IPMKNSEASA-N	355.482	2.408	10	10	FECE	
O=[N+]([O-])c1cc(Br)cc([C@@H](C(F)F)N2CCNCC2)c1O	575273923	TYOJHOSWBDHUFY-JTQLQIEISA-N	366.162	2.274	10	10	FECE	
Cc1noc(C)c1CO[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1	828510622	CTLFVXYZSMUIEL-NSHDSACASA-N	350.346	2.273	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1	822004404	BZSUEGNNFGAEDA-ZBFHGGJFSA-N	367.515	2.250	10	10	FECE	
O=[N+]([O-])c1cc(Cl)cc(CN[C@@H]2CNCC3(CCOCC3)C2)c1O	903975259	ZYVABHDSBUPXOT-ZDUSSCGKSA-N	355.822	2.202	10	10	FECE	
O=C(/C=C/c1cnc2ccccc2n1)OCC(=O)c1ccc(O)c(O)c1	916594002	HSIYQDYYOMNFGD-SOFGYWHQSA-N	350.330	2.480	10	10	FECE	
C[C@@H](NC(=O)N1CC[C@]2(CCCNC2)C1)c1ccc(N2CCOCC2)cc1	841740959	LIJJWTKFPHGVQI-UTKZUKDTSA-N	372.513	2.369	10	10	FECE	
COc1cc(N2CCO[C@H](CCCN(C)C)C2)c([N+](=O)[O-])cc1OC	853990366	MOWPMXUHHGFAMQ-CYBMUJFWSA-N	353.419	2.159	10	10	FECE	
CN(C)c1ncc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cn1	752335386	UMOBKGVIXUSAQX-INIZCTEOSA-N	371.441	2.461	10	10	FECE	
CC(C)C[C@H](N[C@H](C)c1cc(F)cc(F)c1O)C(=O)NCCN(C)C	756858350	OCYGLEUCMCIPKU-WBMJQRKESA-N	357.445	2.414	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCC2CS(=O)(=O)C2)c1	861220669	ZBMRQZIYPLRNHC-UHFFFAOYSA-N	374.462	2.071	10	10	FECE	
CC(C)C1(S(=O)(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1	867382587	PYIZNOVAXZYNTQ-UHFFFAOYSA-N	374.453	2.409	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)[C@H]1CCc2nnc(C3CC3)n2C1	862026220	IXGUQJKPSATNFM-HNNXBMFYSA-N	363.421	2.288	10	10	FECE	
C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(S(C)(=O)=O)cc1	779475735	QMLVITWNGGSLHQ-YCGNWBHESA-N	361.419	2.392	10	10	FECE	
CN1[C@H]2CC[C@H]1CC(N1CCN(Cc3cc(F)cc(F)c3O)CC1)C2	894777446	OSYUAUPDOYSTGZ-HOTGVXAUSA-N	351.441	2.413	10	10	FECE	
COc1ccc(N2CCN(C(=O)CSCc3ncccn3)CC2)cc1	790568815	YYTNSQWDFAPPCH-UHFFFAOYSA-N	358.467	2.067	10	10	FECE	
CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCc1c(O)cccc1F	1303879302	WXANJJJXRJLENV-ZDUSSCGKSA-N	354.447	2.485	10	10	FECE	
Cn1c(O)nnc1CNC(=O)N(Cc1ccccc1O)C1CCCCC1	1254516059	AXVHLEWBYJPUPO-UHFFFAOYSA-N	359.430	2.271	10	10	FECE	
Cn1ccnc1[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(C)(C)CO	1452442080	RIFWEVKDXBVTJM-ZDUSSCGKSA-N	358.402	2.072	10	10	FECE	
CCC[C@@](C)(CO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1471543742	IVPRROXHRZAJQK-MJGOQNOKSA-N	350.507	2.206	10	10	FECE	
CCS(=O)(=O)c1ccc(C(=O)NCc2ccc(N(C)C)cc2)c(N)c1	1623316554	XICURNHDPZBGIO-UHFFFAOYSA-N	361.467	2.058	10	10	FECE	
CCO[C@@H]1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)[C@@H]1Oc1ccccc1	1625824030	UYRVCQXWDFSHTN-ZTNFWEORSA-N	357.406	2.382	10	10	FECE	
Cc1ccc(C(=O)N2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)cc1F	1626113153	KIHQLBGQSVRUSZ-UHFFFAOYSA-N	372.396	2.072	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)NCc2c(O)cccc2O)C1	1635843238	JHESECHLYHUBRE-SFHVURJKSA-N	350.415	2.361	10	10	FECE	
Cc1[nH][nH]c(=NC(=O)OC(C)(C)C)c1C(=O)N(C)Cc1ccccc1O	2124259931	TXQUTUSOBWSPMW-UHFFFAOYSA-N	360.414	2.465	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C	2124351389	XVERSWYUEZXZEM-SNPRPXQTSA-N	364.442	2.451	10	10	FECE	
COc1ccc(N(CCNS(C)(=O)=O)Cc2ccccc2)cc1OC	1648668970	SADQTSPBSDHZME-UHFFFAOYSA-N	364.467	2.260	10	10	FECE	
COc1cc(OC)nc(C(=O)NCc2ccc(N3CCCCC3)cc2)n1	1570581847	LCUPDEKGCHGDTE-UHFFFAOYSA-N	356.426	2.414	10	10	FECE	
CS(=O)(=O)Nc1ccc(C(=O)NCc2cccc(O)c2O)c(Cl)c1	1651175619	GKZBPHGHWUCLGG-UHFFFAOYSA-N	370.814	2.053	10	10	FECE	
CCOC(=O)[C@@H]1C[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	1583920246	ZYTNCNOGMLLSGB-GUDVDZBRSA-N	374.481	2.459	10	10	FECE	
COc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(N(C)C)cc2)C1=O	1233279	ODEBNRJOZAXRLV-QINSGFPZSA-N	365.389	2.428	10	10	FECE	
COc1ccc([C@H](C)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)c(O)c1	2126902071	MFFGKQUJLCAAFM-APHBMKBZSA-N	366.458	2.422	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC[C@H](c3nncn3C)C2)c([N+](=O)[O-])c1	1772821912	UQSVOHIEVCZUCM-QPBFKRLHSA-N	371.397	2.294	10	10	FECE	
CCOCc1nnc(N(C)Cc2ccccc2O)n1CCN(C)C(C)C	1696252526	UQUFMFBWQYYERT-UHFFFAOYSA-N	361.490	2.497	10	10	FECE	
COc1ccc([C@@H](C)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c(O)c1	2133179343	PYRTXVLRTVWULM-SRCQZFHVSA-N	366.458	2.422	10	10	FECE	
CCN[C@@H](c1ccccc1O)[C@@]1(O)COCCN(C(=O)OC(C)(C)C)C1	1922473869	AWRIAMUPJFYKQW-LPHOPBHVSA-N	366.458	2.041	10	10	FECE	
CO[C@H](C)[C@@H](CC(=O)NCc1ccccc1O)NC(=O)OC(C)(C)C	1969154358	LTDVUOOUVHAQFC-TZMCWYRMSA-N	352.431	2.327	10	10	FECE	
CCN[C@@H](C)c1ccc(N(C)C2CS(=O)(=O)C2)c(Br)c1	2152238612	DZIIFDCIXXZYGQ-JTQLQIEISA-N	361.305	2.353	10	10	FECE	
CCN(C[C@H](C)NC(=O)OC(C)(C)C)S(=O)(=O)Cc1ccc(N)cc1	2044603421	VXOXLHPVTSPLRD-ZDUSSCGKSA-N	371.503	2.334	10	10	FECE	
CCN[C@H](c1ccccc1O)c1cn(C)nc1I	2045698325	GVUNYLMFWAYMEK-GFCCVEGCSA-N	357.195	2.429	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCCN(CC(=O)NCCCCN=[N+]=[N-])C1	2060609917	BBXORLJLOFPFCW-CYBMUJFWSA-N	354.455	2.182	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060611345	RWTPECYGXDWXKT-UPJWGTAASA-N	353.423	2.312	10	10	FECE	
C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(C)(C)NC(=O)OC(C)(C)C	2076558968	QNAAJXOQCVDYAD-VIFPVBQESA-N	354.403	2.225	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@]2(NCc3ccc(O)c(O)c3O)C[C@H]2C1	2077025796	OCXNNHKCTMVWKM-KPZWWZAWSA-N	350.415	2.293	10	10	FECE	
C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1CC(=O)Nc1ccc(N)cc1	2106763580	CZOCZRQUOSJRFG-KGLIPLIRSA-N	362.474	2.442	10	10	FECE	
CN1CCc2cc([C@H](N)[C@H]3[C@H]4[C@@H]3OCCN4C(=O)OC(C)(C)C)ccc21	2106854658	GHOQOFLUSFFVMN-XLAORIBOSA-N	359.470	2.313	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccc(N)cc2)[C@H]2CC[C@@H]21	2112103145	YTAIVRSSJKXYEF-HOTGVXAUSA-N	360.458	2.291	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](CNCc2ccc(O)cc2O)C[C@H]2COC[C@H]21	2097568710	XGMOIGYVGVFWHN-OFQRWUPVSA-N	364.442	2.212	10	10	FECE	
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-]	2218737878	LJSULGGJPISWFT-UMSGYPCISA-N	353.423	2.358	10	10	FECE	
COc1ccc(N2C[C@@H](O)CC23CN(C(=O)OC(C)(C)C)C3)c(OC)c1	2226816164	XJGCXGBRIRPCMF-ZDUSSCGKSA-N	364.442	2.264	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-]	2253549381	ZYMJOPWRUWRNFN-YVECIDJPSA-N	353.423	2.094	10	10	FECE	
CN1CCc2cc([C@H](O)C3CN(C4CN(C(=O)OC(C)(C)C)C4)C3)ccc21	2284474093	GZMNQTGJYRMOQD-IBGZPJMESA-N	373.497	2.263	10	10	FECE	
Cn1nc(Br)c(Br)c1C(=O)NCCCN=[N+]=[N-]	2301026491	TZEJUMILNZESMS-UHFFFAOYSA-N	366.017	2.375	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C)CN(C(=O)c2cccc(O)c2O)CC1(F)F	2336640473	BVMNLVWEFVWNCQ-INIZCTEOSA-N	372.368	2.472	10	10	FECE	
CN(C)[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)c1cnn(C)c1	172275160	OMCRQRNXVWXBMB-LJQANCHMSA-N	370.501	2.122	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H]4[C@@H](CCCN4C4CC4)C3)cc2N1	301792521	RGSJBMXEOBVJER-SWLSCSKDSA-N	372.425	2.379	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3O)CC2)cc1	178430852	XSMZHTJPMSZSDI-UHFFFAOYSA-N	357.366	2.271	10	10	FECE	
COC(=O)C1(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCCC1	170996112	SUNHLEATDIWKFM-RMKNXTFCSA-N	358.438	2.138	10	10	FECE	
COCCN1CCCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1=O	189285697	DTBPBRPLVUYISZ-UHFFFAOYSA-N	350.459	2.076	10	10	FECE	
CN(C)c1ccc(/C=C2\SC(=S)N(CN3CCOCC3)C2=O)cc1	33458652	SSDWQEWOEJYSGW-PTNGSMBKSA-N	363.508	2.244	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H](C)[C@@H]3CCCO3)CC2)cc1F	84852747	XBNZCLJUFGOCKE-BBRMVZONSA-N	351.422	2.233	10	10	FECE	
CCS(=O)(=O)C[C@H](C)N[C@H](C)c1ccc(N2CCC(O)CC2)cc1	89634518	QECMOGPSYRXGSM-LSDHHAIUSA-N	354.516	2.122	10	10	FECE	
COC(=O)C[C@H](N)c1c(O)cc(Br)cc1Br	95706276	XKCKBVBCCIORPC-ZETCQYMHSA-N	353.010	2.480	10	10	FECE	
O=C1NC(=O)[C@]2(CCCN(Cc3cc(-c4ccccc4)ccc3O)C2)N1	279402867	LEDRAZPXNAFORD-HXUWFJFHSA-N	351.406	2.233	10	10	FECE	
Cc1ccc(CNC(=O)CC(F)(F)CCN)c(O)c1Br	2381129277	HVLUMNSIJLYXNW-UHFFFAOYSA-N	351.191	2.454	10	10	FECE	
C[C@@H](NC(=O)Cc1cn(C)nc1Cl)c1ccc(N2CCOCC2)cc1	814408404	UKMJZLBNXIPCAF-CYBMUJFWSA-N	362.861	2.330	10	10	FECE	
CON1CCC(CC(=O)NCc2cccc(Br)c2O)CC1	834476406	XWIUKNCXPAHBMB-UHFFFAOYSA-N	357.248	2.434	10	10	FECE	
N[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC[C@@H]1C(F)(F)F	903982176	MLJPDJPYLVHZBS-DZGCQCFKSA-N	361.383	2.374	10	10	FECE	
C[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCCO1	906856210	CICLPDHZCWDBLQ-UGSOOPFHSA-N	350.434	2.218	10	10	FECE	
CC1(C)COC[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	836639018	LKUJFFGPSZBCPV-QGZVFWFLSA-N	365.449	2.011	10	10	FECE	
COC[C@](C)(CCO)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	749923285	TXWMDCLHXUUMMF-SFHVURJKSA-N	351.447	2.462	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)CC(F)(F)CN)cc2F)C[C@H](C)O1	846672341	FPGCQUAMEMELRG-RYUDHWBXSA-N	359.392	2.040	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1nnc(O)n1C	926140169	HSTCUYGIBNHWQP-CYBMUJFWSA-N	360.462	2.268	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3cnc4n3CCCC4)C2)cc1	852317579	JWMRFZMHLLDBGL-OAHLLOKOSA-N	369.469	2.306	10	10	FECE	
COC(=O)C[C@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)C1CC1	852603468	LGNXPOSTBSDRRR-QGZVFWFLSA-N	359.470	2.458	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CC(=O)N[C@@H]4CCCC[C@@H]43)C2)cc1	855224867	HSLCFQMWOXKPMS-JEDBISTDSA-N	371.481	2.085	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CC(=O)N(C)c3ccccc3C2)cc1	857846472	ZZWUGFCXUBTNDS-UHFFFAOYSA-N	352.438	2.441	10	10	FECE	
C[C@@H](N[C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(N(C)C)cc1	858489227	WSILTNCTKFZBRC-ZBFHGGJFSA-N	351.458	2.120	10	10	FECE	
CCOc1ccc(NC(=S)NCc2ncccc2S(C)(=O)=O)cc1	782428200	RSKINXDVVRJVSW-UHFFFAOYSA-N	365.480	2.370	10	10	FECE	
COC(=O)[C@@H](CC1CCOCC1)NCc1cc(F)c(N(C)C)cc1F	895592821	OEZNAECUTMLFBD-MRXNPFEDSA-N	356.413	2.479	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CC[S@](=O)C[C@@H]2c2cnn(C)c2)cc1	895381964	YLFPVSKTAAZOLB-JVFAQIBXSA-N	358.511	2.305	10	10	FECE	
CCN1CC[C@H]2OCCN(C(=O)c3cc4cc(O)c(O)cc4s3)[C@H]2C1	897850487	SHJJJXPCQGNAPN-SWLSCSKDSA-N	362.451	2.248	10	10	FECE	
COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1c(O)ccc(Cl)c1F	792172164	BYXVRRQTZCTVDX-HBJVGIJOSA-N	371.792	2.110	10	10	FECE	
CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1	1884980059	OKTZHOJDSRWIBT-LBPRGKRZSA-N	366.414	2.323	10	10	FECE	
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1c(O)cccc1F	1303879284	WDWXTKATEBFEEU-GOSISDBHSA-N	369.396	2.376	10	10	FECE	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1nc(-c2cnccn2)no1	1160599771	NNBFPSGSGMQGEE-UHFFFAOYSA-N	366.164	2.469	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccoc1	1314753810	ZZQBDHMQYVKARD-OAHLLOKOSA-N	367.409	2.213	10	10	FECE	
C[C@H](OCc1ccccc1)[C@@H](NC(=O)CCc1ccc(N)cc1)C(=O)O	706015045	JUDJFJNBBUHJTL-IFXJQAMLSA-N	356.422	2.376	10	10	FECE	
Cc1nc2c(s1)[C@H](NC(=O)C(=O)N(C)Cc1ccccc1O)CCC2	1323924864	NJMQGBKBOWJLDJ-CQSZACIVSA-N	359.451	2.309	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CC2)n1CC1([S@@](C)=O)CC1	1503488493	UZVJRFAPXDRFOB-RUZDIDTESA-N	360.483	2.409	10	10	FECE	
CC[C@@H](O)Cn1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)nn1	1445638580	KJOQAWTWHROOEN-OAHLLOKOSA-N	370.409	2.190	10	10	FECE	
CN1CCc2cc([C@H](N)[C@@]3(O)CC[C@@H]3CNC(=O)OC(C)(C)C)ccc21	2117892971	SDZUSHIWCHVYBQ-OXFYSEKESA-N	361.486	2.345	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)NCc1cn(C2CC2)c(=O)nc1O	1479188133	JSSRFADDBMUXKY-UHFFFAOYSA-N	372.425	2.111	10	10	FECE	
CO[C@H](C)CN[C@@H]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1	1707121269	AJISKVIHGZIAFQ-DVOMOZLQSA-N	361.446	2.372	10	10	FECE	
O=C(NCc1cccc(Br)c1O)c1ccnc2[nH]c(O)nc12	1626822842	XDICROWZYQDPNR-UHFFFAOYSA-N	363.171	2.062	10	10	FECE	
COC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)c1cc2cc(O)c(O)cc2s1	1645093018	WSIGCWIBZILXLD-GHMZBOCLSA-N	365.407	2.153	10	10	FECE	
CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CCC[C@H]2CN=[N+]=[N-])CC1	2124534339	SAJVLWRYEOWBHS-AWEZNQCLSA-N	366.466	2.277	10	10	FECE	
CC(C)(C)OC(=O)NCc1ncc(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)cn1	2124505399	KZHZQUWCTCSKOK-GFCCVEGCSA-N	361.406	2.416	10	10	FECE	
O=C(NCc1cccc(O)c1O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	1593739898	YYIUGCXRDXZYKJ-UHFFFAOYSA-N	354.322	2.122	10	10	FECE	
CO[C@H]([C@H](N)Cc1ccc(O)c(O)c1)C(C)(C)NC(=O)OC(C)(C)C	1952911316	RCHLDPRDFVPRRB-IUODEOHRSA-N	354.447	2.286	10	10	FECE	
C[C@@H](NCCN1CCN(C(=O)OC(C)(C)C)CC1)c1c(O)cccc1O	311271951	RRDBBFUKGBWYLX-CQSZACIVSA-N	365.474	2.301	10	10	FECE	
C[C@H](NC[C@]1(NC(=O)OC(C)(C)C)CCOC1)c1c(O)cccc1O	688536393	LTUAYIIMFNWWTM-KPZWWZAWSA-N	352.431	2.432	10	10	FECE	
CCN(c1ccc([C@H](C)N)cc1Br)[C@@H]1CCS(=O)(=O)C1	387327939	CPXCJWJAVRBQJA-CMPLNLGQSA-N	361.305	2.482	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)C1CC(F)(F)C1	2049786991	RZBBUQAVOOCILO-IRUJWGPZSA-N	360.401	2.191	10	10	FECE	
CCOC1(C(=O)N2CCC[C@H]2CN=[N+]=[N-])CN(C(=O)OC(C)(C)C)C1	2060616104	WRCSGJVEMQLEFT-LBPRGKRZSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)NCCn1cnc(C(=O)NCCCCN=[N+]=[N-])c1	2060635689	ODGWFGAIBRPLMN-UHFFFAOYSA-N	351.411	2.228	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](O)(C(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2063391537	RBXIUNLOFIOUIR-LRDDRELGSA-N	353.423	2.050	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](CC(=O)N2CC[C@H](N=[N+]=[N-])C2)C1	2067632989	CHYWTVQUHJHZCV-AGIUHOORSA-N	353.423	2.360	10	10	FECE	
C[C@H](CCNC(=O)c1cc(O)c(O)c(O)c1)N(C)C(=O)OC(C)(C)C	2068618367	QCICUTFCLXZVCP-SNVBAGLBSA-N	354.403	2.179	10	10	FECE	
CC(C)(C)OC(=O)NCCCOCCNC(=O)CCc1ccc(N)cc1	2106232791	LZVHZGJGVCSVHK-UHFFFAOYSA-N	365.474	2.249	10	10	FECE	
CN(C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CCO1)C(=O)OC(C)(C)C	2106697906	SIYRFBZBWDFKEP-OAHLLOKOSA-N	364.446	2.368	10	10	FECE	
CN(CCC(=O)Nc1ccc(N)cc1)CC1CN(C(=O)OC(C)(C)C)C1	2106763197	FVZMVHXVDFSBOT-UHFFFAOYSA-N	362.474	2.396	10	10	FECE	
CC(C)(C)OC(=O)NCCN(CC1CC1)C(=O)COc1ccc(N)cc1	2106700991	JHDXPBQHTYVJNZ-UHFFFAOYSA-N	363.458	2.411	10	10	FECE	
Cn1nc(Br)cc1S(=O)(=O)Nc1ccc(O)c(Cl)c1	2089753462	VQEUVHJAGMHXDE-UHFFFAOYSA-N	366.624	2.342	10	10	FECE	
O=S1(=O)C[C@H]2CCC[C@]2(NCc2cc(Br)ccc2O)C1	2201867086	OXJDVFRKJRUOLW-RISCZKNCSA-N	360.273	2.212	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2253543049	BUGMRDHRBWWNOS-YNEHKIRRSA-N	353.423	2.048	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CC[C@H](CN=[N+]=[N-])C3)CO[C@H]1C2	2266112621	LIBDRZBDSNDHMJ-FJZAXULXSA-N	365.434	2.218	10	10	FECE	
Oc1ccc(-c2noc(C3(COCc4ccccc4)CNC3)n2)cc1O	2268809865	UDVTZEUTFJIRPP-UHFFFAOYSA-N	353.378	2.206	10	10	FECE	
CCC(CC)[C@@H](CNC(=O)C=Cc1ccc(O)c(O)c1)N1CCOCC1	2307990357	LCWOWZCJFJGGSL-QGZVFWFLSA-N	362.470	2.364	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N[C@H]3CCC[C@@H]3N=[N+]=[N-])CO[C@@H]1C2	2334184258	UPPSFSUWGGUPDF-ZJAHRSJLSA-N	365.434	2.406	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N[C@@H]3CCC[C@H](C(N)=O)C3)CC2)cc1	172578415	IGHWCNGDWHLASU-GOEBONIOSA-N	374.485	2.007	10	10	FECE	
COc1nccc(-c2nnc(N(C)Cc3ccccc3O)n2CC2CC2)n1	1351233037	XNQYYLQZUKUGCX-UHFFFAOYSA-N	366.425	2.496	10	10	FECE	
CCN(CC)C(=O)c1ccnc(N2CCN(c3ccc(OC)cc3)CC2)n1	243699292	PLRAJRKBGLCPRQ-UHFFFAOYSA-N	369.469	2.294	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCCOC3)cc2F)C[C@@H](C)O1	264358571	HDDLXPRAHQHBPB-IJEWVQPXSA-N	365.449	2.418	10	10	FECE	
COC(=O)[C@H]1CCN(Cc2cc(Cl)cc(C)c2O)[C@@H](C(=O)OC)C1	272536332	OGAXXDNICMQTON-SMDDNHRTSA-N	355.818	2.281	10	10	FECE	
C[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1CNC(=O)OC(C)(C)C	2132402790	FIYWHISEISYIAG-PWSUYJOCSA-N	366.414	2.036	10	10	FECE	
CO[C@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC[C@@H]1C	823538225	UTYLAUHKUCMORK-KXBFYZLASA-N	361.486	2.214	10	10	FECE	
COc1ccc(O)c(CNC(=O)Cc2nnn(-c3ccc(C)cc3)c2C)c1	734015355	HWWUUMCKEAWXQT-UHFFFAOYSA-N	366.421	2.457	10	10	FECE	
Cc1ncc(Cl)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1	741911248	YLYZWNWMKONPPM-UHFFFAOYSA-N	364.808	2.344	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CCNC(=O)c3cccs3)C2)cc1	855229806	QQHVEUVYLQGLHR-CQSZACIVSA-N	373.478	2.272	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)N(C)C1CC1	751465353	GPBJJXDQVDXXSF-UHFFFAOYSA-N	363.277	2.316	10	10	FECE	
COC(=O)/C(C)=C/CNC(=O)NCc1cc(Br)ccc1O	925020919	UDWKMUHPNRTYKU-WEVVVXLNSA-N	357.204	2.073	10	10	FECE	
O=C(O)c1csc(CNCc2ccc(N3CCOCC3)c(F)c2)n1	756309453	IKDHFOIDUREGQP-UHFFFAOYSA-N	351.403	2.107	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)Cc2ccc(C(N)=O)nc2)cc1	858201726	BMURHCCPAYOWOX-UHFFFAOYSA-N	354.454	2.228	10	10	FECE	
C[C@]12CSC[C@H]1CN(C(=O)C(=O)NCc1ccc(N3CCCC3)cc1)C2	929526878	ZQENCEOEOZHXOO-UZLBHIALSA-N	373.522	2.115	10	10	FECE	
C[C@H](NC(=O)N[C@@H](Cc1cncs1)C(=O)O)c1ccc(N(C)C)cc1	929046496	WCLVTOPYUOZXBY-NHYWBVRUSA-N	362.455	2.265	10	10	FECE	
Cc1cn(C)nc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	850421235	SOVCQCCZTQULHB-UHFFFAOYSA-N	357.458	2.170	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Nc3ccc(C(N)=O)cc3)C2)cc1	853210324	UXJBYTKFXZBCSV-HNNXBMFYSA-N	354.410	2.195	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3C[C@H]4[C@H]5CC[C@@H](NC5)[C@H]4C3)ccc21	861567194	AOVMQBXJWNQIES-CADBVGFASA-N	354.498	2.208	10	10	FECE	
Cc1cc(C(=O)CN2C[C@H]3C(=O)OC[C@H]3C2)c(C)n1-c1ccc(Cl)cn1	860167603	IBYRRDXDLKEKIP-CZUORRHYSA-N	373.840	2.430	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)[C@@H]1COCCN1C1CCCC1	862026209	IRCSRCNSPLTOIX-KRWDZBQOSA-N	355.438	2.200	10	10	FECE	
C[C@@H](NC(=O)N(C)CC(C)(C)S(C)(=O)=O)c1ccc(N(C)C)cc1	773621765	PHKVSWHTCXSTKJ-CYBMUJFWSA-N	355.504	2.278	10	10	FECE	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2cnc3n2CCC3)cc1	772367552	DNCAZXHTUCOGCB-UHFFFAOYSA-N	362.499	2.496	10	10	FECE	
CCC1(NC(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)CCC1	778307903	RTULSIKFPPLTKQ-MDZDMXLPSA-N	371.481	2.349	10	10	FECE	
CC(=O)C1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1	899098576	PJKRHEAJVFOJFG-IBGZPJMESA-N	360.502	2.366	10	10	FECE	
C[C@H](CN1CCOCC1)N(C)C(=O)c1cc2cc(O)c(O)cc2s1	897600721	QWAYXPJDDLNGDZ-LLVKDONJSA-N	350.440	2.105	10	10	FECE	
C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)c1nc(-c2nc[nH]n2)no1	1307641600	HSZPNRJNQHNDEF-OLZOCXBDSA-N	369.429	2.103	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)NCCc1ccsc1	1322832658	FMTIUEUQIUDYTQ-UHFFFAOYSA-N	355.510	2.162	10	10	FECE	
CC1(C)C[C@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CCS1	1334783680	JIAHQJHNYKAEAR-MRXNPFEDSA-N	373.522	2.469	10	10	FECE	
C[C@H]1CN(c2ccnc(C(=O)NCc3cccc(O)c3O)c2)C[C@H](C)O1	1520508967	QECCRDOAJACCDE-STQMWFEESA-N	357.410	2.036	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)N3C[C@@H](CCO)[C@@H](CO)C3)c2C)c1	1520918110	SQCIFJKGRNMDQI-QZTJIDSGSA-N	356.466	2.465	10	10	FECE	
Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NCc1c(O)cccc1F	1456094392	RDGFOQZARKVRBI-MRXNPFEDSA-N	373.363	2.066	10	10	FECE	
O=C(CCNC(=O)c1n[nH]c2ccccc12)NCc1cc(Cl)ccc1O	1469874902	RMEFWMJASDHEQZ-UHFFFAOYSA-N	372.812	2.358	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1	1545637248	PYDMEPHAUPFHNH-UHFFFAOYSA-N	354.322	2.122	10	10	FECE	
CON(C)CCCNC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	1627716589	YDPJJXVYUPLARH-UHFFFAOYSA-N	372.513	2.407	10	10	FECE	
Cc1ccccc1CN1CCO[C@@H](CNC(=O)c2ccc(C)c(O)c2O)C1	1643846637	ZYQWSXSMWXYMLF-KRWDZBQOSA-N	370.449	2.345	10	10	FECE	
O=C(CSc1nnc2ccccn12)NCc1ccc2cccnc2c1O	1570533668	LYIXLNHZJKSZJW-UHFFFAOYSA-N	365.418	2.392	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H]1COC[C@@H]1N(C)C(=O)OC(C)(C)C	2124377266	QCODCYZRURRFJQ-GJZGRUSLSA-N	364.442	2.233	10	10	FECE	
CCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O	5878561	FUAUSVPRGUATOV-UHFFFAOYSA-N	371.368	2.227	10	10	FECE	
COC(=O)c1cc(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)ccc1O	1859474935	QUCDWBXKOJDNGJ-UHFFFAOYSA-N	370.314	2.027	10	10	FECE	
CO[C@@H]1C[C@H](NCc2cc(Cl)cc(Br)c2O)C[C@H]1O	2130805272	QEWLDOOSCISLAB-YUSALJHKSA-N	350.640	2.436	10	10	FECE	
C[C@H]([C@H](O)c1ccc2c(c1)CCN2C)N1CC(NC(=O)OC(C)(C)C)C1	2131764865	CMVKLKJRUOTDLH-ACJLOTCBSA-N	361.486	2.310	10	10	FECE	
COc1ccc(O)c(CNC[C@H]2CO[C@H](CNC(=O)OC(C)(C)C)C2)c1	1967886629	BGATUTNAZQQXEW-BBRMVZONSA-N	366.458	2.420	10	10	FECE	
CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCOc2ccc(N)cc2)C1	2078124984	NWBIEUVQFYHWJO-HNNXBMFYSA-N	370.471	2.072	10	10	FECE	
CSCCNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2080886596	ICHPGHDKJOSCIN-LBPRGKRZSA-N	370.471	2.013	10	10	FECE	
C[C@@H](NCCc1ccc(O)c(O)c1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	2091761603	ZMHZBELHIVAVFG-CXAGYDPISA-N	366.458	2.254	10	10	FECE	
Cc1cccc(CNC(=O)c2c[nH]nc2CCNC(=O)OC(C)(C)C)c1O	2235308611	PHCPOLBELUUUMB-UHFFFAOYSA-N	374.441	2.421	10	10	FECE	
NCc1ccc(N2CC(S(=O)(=O)C(F)(F)F)C2)cc1Br	2237657277	IOJDPWZVPWDVSY-UHFFFAOYSA-N	373.194	2.031	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@]2(NCc3ccc(O)c(O)c3)CO[C@H]1C2	2255114042	UUIOVMRRMUEGBX-QITLCBANSA-N	350.415	2.012	10	10	FECE	
O=C(O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2cccs2)SC1=S	2296883138	OXDIHLMKSUYKGI-MRVPVSSYSA-N	357.434	2.267	10	10	FECE	
C[C@@H](O)[C@H](C(=O)O)N1C(=O)C(=Cc2ccccc2Cl)SC1=S	2323823654	CRTAVEAAMOKAPT-RDDDGLTNSA-N	357.840	2.375	10	10	FECE	
CN(c1ccc(CN)c(Br)c1)[C@H]1CC[C@@H](S(C)(=O)=O)C1	2361593112	LZGAXYADZXSPBC-WCQYABFASA-N	361.305	2.310	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N1CCCC[C@H]1c1nc[nH]n1	255335615	RXBUGEVIORJSJV-KKMIYCERSA-N	367.453	2.408	10	10	FECE	
Cc1ccncc1CN(C)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	807671209	MEPIVYSDNCVGID-HNNXBMFYSA-N	354.454	2.292	10	10	FECE	
Nc1ccc(CC(=O)N2CCC[C@@H]3CC[C@]32CNC(=O)C(F)(F)F)cc1	2162978455	FIFNVEMTZZIFLQ-DYVFJYSZSA-N	369.387	2.261	10	10	FECE	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C12CCN(CC1)C2	900871399	YVHOQPNDDHEHIU-CQSZACIVSA-N	365.424	2.469	10	10	FECE	
CCc1ncc(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)o1	836242395	VBMABWOGCLNASO-UHFFFAOYSA-N	362.405	2.212	10	10	FECE	
COC/C(C)=C/C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	844463110	AYEFTROYRDWBMA-GHRIWEEISA-N	357.498	2.428	10	10	FECE	
Cc1cnc(C)c(NC(=O)C(=O)NCCCSc2nccs2)c1	845903043	LCFLHOIWNVPNHZ-UHFFFAOYSA-N	350.469	2.392	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1F	853943459	BWBZXHXOXYSSDL-CQSZACIVSA-N	371.336	2.232	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H](N)c3c(F)cccc3F)C2)cc1	852843819	HVTGJFLKCZANGZ-XIKOKIGWSA-N	361.392	2.368	10	10	FECE	
CCOC(=O)[C@H]1[C@H]2CN(C(=O)NCCCSc3nccs3)CC[C@H]21	921446807	PYXGVYIRBJDBEE-FRRDWIJNSA-N	369.512	2.466	10	10	FECE	
CC1(C)[C@H]2NCCC[C@H]2[C@H]1NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	925484860	JAZTUPWWQAJVPG-RSPOEFSDSA-N	370.541	2.255	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)c3oc(CC)cc3C)nc12	768131733	LZPOJCSVYPTXAV-UHFFFAOYSA-N	373.365	2.432	10	10	FECE	
CCNC(=O)NC1(C(=O)NCc2ccc3cccnc3c2O)CCCC1	862027682	BPOARMNKGGJXHS-UHFFFAOYSA-N	356.426	2.189	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H]3C[C@]3(CO)C2)C1	768241282	KTIMQXVPBOUSNA-KSFYIVLOSA-N	367.493	2.249	10	10	FECE	
O=C1[C@@H]2c3ccoc3CCN2C(=O)N1Cc1ccc(N2CCOCC2)cc1	863501273	KSYLWPCIOGYPFT-SFHVURJKSA-N	367.405	2.178	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@]3(C4CCCC4)CCNC3=O)C2)cc1	862158872	NATSVGYOYQEITO-IERDGZPVSA-N	371.481	2.087	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)N[C@H]1C[C@H]1c1ccccc1	1117371267	MYDGGWBXMJMKEO-KBPBESRZSA-N	361.492	2.414	10	10	FECE	
COc1ccc(N2CCN(C(=O)COC(=O)[C@@H]3C[C@@H]3C(C)C)CC2)cc1	772498163	ZUEJOQYLSZKNEP-QZTJIDSGSA-N	360.454	2.179	10	10	FECE	
Cc1cc(C(=O)N[C@H](CO)c2cncn2C)c(C)n1-c1ccc(F)cc1	898883288	HSBFLPRHEQWZPR-QGZVFWFLSA-N	356.401	2.430	10	10	FECE	
COC(=O)[C@H]1CSCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1	897985169	GUNURCVIYCNZLO-SNVBAGLBSA-N	367.448	2.291	10	10	FECE	
Cn1cc([C@H]2[C@H](C(=O)NCc3ccccc3O)CC(=O)N2C(C)(C)C)cn1	795062125	RGQGHHYEHXLWJL-QAPCUYQASA-N	370.453	2.130	10	10	FECE	
CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NCc1c(O)cccc1F	1156171332	ZNOOLMJYIXIJJY-JAYGETEZSA-N	352.431	2.405	10	10	FECE	
C[C@@]1(c2ccccc2)CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CCO1	1329798926	UPCHSISTEIBZPV-NRFANRHFSA-N	366.417	2.009	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C(C)=C/c1ccccn1	1327634493	HALNCTJQXXMXFK-ISBHARSQSA-N	370.405	2.187	10	10	FECE	
C[C@H](NC(=O)C(=O)NC1CC2(COC(C)(C)C2)C1)c1ccc(N(C)C)cc1	1334163105	XNUXRASJSUOEOU-DOOHWEDMSA-N	373.497	2.394	10	10	FECE	
CCN(CC(F)(F)F)C(=O)COc1ccc(N(C)C)c(C(=O)OC)c1	1189976854	AUTDDDRGIHJLNO-UHFFFAOYSA-N	362.348	2.329	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@](O)(CN(C)C)C3)c2C)cc1	1347428697	KSZFCWLSDBEPRK-OAQYLSRUSA-N	371.481	2.241	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@H]2CCCO2)n1Cc1cnn(C)c1	1503489563	ZNPDUTGNQRBZQS-QGZVFWFLSA-N	368.441	2.253	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c(C(C)C)nnc1N1CC[C@H](C(N)=O)C1	1510675431	CVYGNGAEVNQBQU-INIZCTEOSA-N	370.501	2.136	10	10	FECE	
CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CNC(=O)c1ccc(O)c(O)c1	2118190153	OTKGZJQAMLKYOT-NSHDSACASA-N	372.368	2.472	10	10	FECE	
CCN1CC[C@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	1464699378	WCHABIJERNPARP-INIZCTEOSA-N	353.413	2.467	10	10	FECE	
CCO[C@@H]1[C@H](C)[C@H]1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	1556946409	ISHYSZVAABGCJJ-RGYTYGDFSA-N	354.397	2.089	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@@H]2CCOC2)n1CCc1cn[nH]c1	1729420251	KTJSSFULJCROTI-MRXNPFEDSA-N	368.441	2.090	10	10	FECE	
COc1cccc(-n2cc(NC(=O)/C=C\c3ccc(O)c(O)c3)nn2)c1	1631157327	BPPUFEMIVJHAEK-VURMDHGXSA-N	352.350	2.339	10	10	FECE	
Cc1nn(C)c(C)c1[C@H](O)CNC(=O)c1cc2cc(O)c(O)cc2s1	1637467896	WUQZSFDCEMFIKI-CYBMUJFWSA-N	361.423	2.126	10	10	FECE	
C[C@H](NC(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1)c1ccccc1O	1648892268	SSCLMSJCVPRCRL-JQAFLVLXSA-N	358.419	2.274	10	10	FECE	
Cc1sc2ncn(CCC(=O)NCc3cccc(O)c3O)c(=O)c2c1C	1644708265	GSHRZQLCPWWHNU-UHFFFAOYSA-N	373.434	2.193	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H](NC3CCOCC3)C2)cc1	1651150486	MWHRCKYMQNBBDX-INIZCTEOSA-N	359.430	2.222	10	10	FECE	
COc1ccc(N2CCN(C(=O)NC[C@H]3CC[C@@H](C)O3)CC2)c(OC)c1	1673442110	FLRDMGJJMUGTSL-GDBMZVCRSA-N	363.458	2.103	10	10	FECE	
COc1ccc(N2CCN(C(=O)NC[C@@H]3CC[C@@H](C)O3)CC2)c(OC)c1	1673442113	FLRDMGJJMUGTSL-ZBFHGGJFSA-N	363.458	2.103	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NCc1cc2c(cc1O)OCO2	721926526	RZUIOPMQYHJRFX-DGCLKSJQSA-N	350.415	2.466	10	10	FECE	
O=C(c1cccc(O)c1O)N1CCC[C@@H]2CC[C@@]21CNC(=O)C(F)(F)F	2174800192	NCTSPCQWWHREQB-QLJPJBMISA-N	372.343	2.161	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](NC(=O)Cc2ccc(N)cc2)C1	2044235350	ONIXXBMCUOIIGB-PPUGGXLSSA-N	351.422	2.323	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNCc2cc(F)ccc2O)C[C@H]1O	2052655381	CBLRYPFUCCMWBE-DJSGYFEHSA-N	354.422	2.285	10	10	FECE	
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1ccc(CO)c(Br)c1	2114228867	SLRJSDOVDXWMHU-UWVGGRQHSA-N	350.278	2.199	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2218742507	DAQMKMWLONGCNY-WQGACYEGSA-N	353.423	2.360	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N1CCN(c2cc(C3CC3)[nH]n2)CC1	2310356194	JFNJNHXYHAASGB-UHFFFAOYSA-N	354.410	2.060	10	10	FECE	
C[C@H](F)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(O)c(O)cc2C1	2341191496	CXXBCLXNNMQLMI-BONVTDFDSA-N	368.405	2.234	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C1(CC(=O)N2CCOCC2)CCCC1	120254951	XWNXTKSYBMRCJF-UHFFFAOYSA-N	360.454	2.160	10	10	FECE	
COC[C@H](O)CN1CCC(N[C@H](C)c2cc3c(cc2O)CCCC3)CC1	186194809	PGUGBFVWCKGTBD-DNVCBOLYSA-N	362.514	2.393	10	10	FECE	
O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H](Cn3cncn3)C2)c1O	128569417	AVBIRKWPRGUFRI-NSHDSACASA-N	351.794	2.458	10	10	FECE	
O=C(NCc1cccc(NC(=O)C(F)(F)F)c1)c1cc(O)c(O)c(O)c1	216832282	HULBMJNUNUDADO-UHFFFAOYSA-N	370.283	2.234	10	10	FECE	
CN(C(=O)c1cc(O)c(O)c(O)c1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1	2132410368	MQTVXTPOPHBLBN-LBPRGKRZSA-N	366.414	2.179	10	10	FECE	
Cc1cc(-c2nc(C[S@](C)=O)no2)ccc1NC(=O)C1=S=CC=C1	547165633	YMPLHIVDVVTDEL-DEOSSOPVSA-N	361.448	2.140	10	10	FECE	
O=C(c1ccnc2[nH]cnc12)N(Cc1ccccc1O)C[C@H]1CCCO1	272306120	XMIHUHSZCGGCRN-CQSZACIVSA-N	352.394	2.485	10	10	FECE	
O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)N1CCOC[C@@H]1C1CC1	372319384	SMBZIYMGVVPVLV-RBUKOAKNSA-N	374.481	2.011	10	10	FECE	
CCC(=O)N1CCC[C@@H](C(=O)NCc2cc(Br)ccc2O)C1	804735629	BVAUQWHBWBTTJE-LLVKDONJSA-N	369.259	2.420	10	10	FECE	
CN(CC(=O)NCc1cc(Br)ccc1O)[C@H]1CCSC1	804737428	QUVYJZZQSQYRSV-LBPRGKRZSA-N	359.289	2.208	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1CN2CCCN1CC2	819688899	OZEUAEPIXIDGOA-INIZCTEOSA-N	358.511	2.275	10	10	FECE	
O=S(=O)(Nc1cnn(Cc2ccncc2)c1)c1cc(F)cc(F)c1O	821169468	XKDUHOGEEXNZAE-UHFFFAOYSA-N	366.349	2.111	10	10	FECE	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCO[C@@H](C)CC2)c1	905740803	UTDWUAFTOQVRIL-HNNXBMFYSA-N	362.470	2.038	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCN([C@@H]3CCNC(=O)CC3)CC2)cc1	835053892	FUWYRDGJPKYCRA-YADGQWAMSA-N	356.514	2.052	10	10	FECE	
Cc1cc(C(=O)CN2CC[C@H](C(=O)O)C2)c(C)n1-c1ccc2c(c1)OCO2	836687189	NZBUYRGKVUBACR-AWEZNQCLSA-N	370.405	2.412	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1	588408637	UQRMWUDWPUJVHZ-PFCIJLJPSA-N	356.422	2.113	10	10	FECE	
CO[C@@H]1COCC[C@H]1CC(=O)NCc1cc(Br)ccc1O	831932970	OSFNDVWUMNVUJF-IINYFYTJSA-N	358.232	2.213	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](CO)[C@@H](O)c1ccccn1	913580787	QQKCRVFUMVIPRQ-WBVHZDCISA-N	371.462	2.375	10	10	FECE	
COc1ccc(N2CC[C@H](N3C(=O)[C@@H]4[C@@H]5CCC[C@@H]5CN4C3=O)C2)cc1	849358297	VEAACAPPKBZMLD-SIUPPRGNSA-N	355.438	2.337	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3cc(C)ccc3F)C2)cc1	850536149	HOSMIMFHQGLJPE-CQSZACIVSA-N	371.412	2.476	10	10	FECE	
CO[C@H](CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@H]1CCOC1	850484866	SIYDKEINYFHQMI-URLQWDBASA-N	352.450	2.364	10	10	FECE	
CN(CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccc(N)cc1	863557595	QJFXXSPSLWUOSQ-UHFFFAOYSA-N	366.465	2.126	10	10	FECE	
CC(C)Cn1ncc(NC(=O)C(=O)NCc2ccccc2O)c1C(F)F	760891719	OZEBEJGBERNPPB-UHFFFAOYSA-N	366.368	2.437	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN(C)Cc2nc(-c3cccnc3)no2)c1O	774888511	PVBPRXJONBFZNK-UHFFFAOYSA-N	371.353	2.386	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H](CC(C)C)OC)CC2)c(OC)c1	1132032099	KALAYEYFIUEWHA-SFHVURJKSA-N	350.459	2.414	10	10	FECE	
O=C(Cn1ncc(=O)c2ccccc21)NCCCSc1nccs1	1144321952	DMCBJIXVNZBQFD-UHFFFAOYSA-N	360.464	2.152	10	10	FECE	
COc1ccc(Cl)cc1CNC(=O)C(=O)N(C)Cc1ccccc1O	1325983979	VFVHGRFHOGJHRJ-UHFFFAOYSA-N	362.813	2.329	10	10	FECE	
C[C@H](N)c1ccc(N(C)C2CCS(=O)(=O)CC2)cc1Br	694173124	GSVCLFBXJPJGPY-JTQLQIEISA-N	361.305	2.482	10	10	FECE	
CN1CCN(C(C)(C)CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1	1332394106	SIWRTVHAQYVVPL-UHFFFAOYSA-N	363.483	2.068	10	10	FECE	
CCCCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1	1442045713	ZAFOXSBTOSWVNV-CQSZACIVSA-N	366.443	2.278	10	10	FECE	
CC[C@@H](CN(C)C[C@H](O)COc1ccc(N)cc1)NC(=O)OC(C)(C)C	2116684293	SFDOATMAEJDDSK-HOTGVXAUSA-N	367.490	2.244	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N2CCN(C)C(=O)[C@@H]2C)CCCC1	1459264235	MJILPQJUFWBDPP-AWEZNQCLSA-N	369.465	2.218	10	10	FECE	
Cc1[nH]nc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1O	1626479657	LNRDJGQLGIELSM-UHFFFAOYSA-N	366.368	2.424	10	10	FECE	
C[C@H](NC(=O)c1ccc(N2NC(=O)CCC2=O)cc1)c1ccccc1O	1632250429	UAXNOSBXMPZHDW-LBPRGKRZSA-N	353.378	2.041	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)c2ccc3nonc3c2)N(C)C)cc1	1647082421	REUSVRVIMORSBN-GOSISDBHSA-N	353.426	2.322	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2124505205	IZNJGALMCIEIMI-MGPQQGTHSA-N	367.450	2.417	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2124507067	FFVJEHYKGUFSSU-AWEZNQCLSA-N	366.466	2.086	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)c1cccc(CN2CCCC2=O)c1	153904527	YLJDOOOACTWJDP-UHFFFAOYSA-N	354.406	2.193	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)c2cc[n+]([O-])cc2)N2CCCCC2)cc1	1866044910	BADXKLLDAFJEOK-FQEVSTJZSA-N	368.481	2.343	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@@H](O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)ccc21	2136030649	UUANINMSQMWEPT-NXHRZFHOSA-N	361.486	2.297	10	10	FECE	
C[C@@H](c1c(O)cccc1O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O	2136356946	FUMITZQZMXUWLV-NWDGAFQWSA-N	366.414	2.165	10	10	FECE	
CNCc1ccc(N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)cc1Br	400846442	AYTMMOAEJISSKF-QWRGUYRKSA-N	361.305	2.180	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNCc2c(O)cccc2Cl)C1	702818666	KTPONOCTZUQUKU-IAQYHMDHSA-N	356.850	2.363	10	10	FECE	
C[C@H](N)c1ccc(N2CC(C)(CS(C)(=O)=O)C2)cc1Br	2173194821	IONOKNSVTHVTKQ-JTQLQIEISA-N	361.305	2.340	10	10	FECE	
CCN(c1ccc(CNC)c(Br)c1)[C@H](C)CS(C)(=O)=O	2170419877	JFFQNQJUNMJCMN-LLVKDONJSA-N	363.321	2.428	10	10	FECE	
COC[C@](C)(CC(=O)NCc1ccccc1O)NC(=O)OC(C)(C)C	2060347440	KJMRRKXXMVNZMY-SFHVURJKSA-N	352.431	2.328	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2060632877	GZEAGXODTVWIMG-OLZOCXBDSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)N2CC[C@H](N=[N+]=[N-])C2)C1	2060640619	WVLOIYOTHBGOKC-STQMWFEESA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2060639373	HHZXOOUVGXHYMD-RYUDHWBXSA-N	355.439	2.200	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2060613283	PNTIJCVIIDDPHJ-XQQFMLRXSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1	2060638520	XVQZNHWOMUOREE-OLZOCXBDSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)COc2ccc(N)cc2)[C@@H](F)C1	2106228160	HOOUERYLUDLLDF-LSDHHAIUSA-N	367.421	2.111	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])CO1	2218739900	HITGUMZWTYGBAO-RVMXOQNASA-N	353.423	2.358	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2218746613	RDFPXPZDOUFVIK-UPJWGTAASA-N	353.423	2.360	10	10	FECE	
Nc1snnc1-c1nc(-c2ccc(I)cc2)no1	2221400537	QKRGMPFHJGRBEI-UHFFFAOYSA-N	371.163	2.442	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H](O)C[C@H](F)C3)ccc(N)c2C1	2226289060	XCJKWSLXXQTVID-STQMWFEESA-N	365.449	2.471	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CO)C2)cc1OC	2226799984	WEPXMEBXKMQOGH-HIFRSBDPSA-N	366.458	2.416	10	10	FECE	
COc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)ccc1OCC(N)=O	2294143496	GKLMJHVYAASSGR-UHFFFAOYSA-N	365.389	2.365	10	10	FECE	
CCOC(=O)[C@@H]1CCCCN1C(=O)C=Cc1ccc(N2CCOCC2)cc1	2297505695	OJKJQSCCNLGIQG-IBGZPJMESA-N	372.465	2.481	10	10	FECE	
CCOC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1	108790714	OJKJQSCCNLGIQG-BLRBJFNZSA-N	372.465	2.481	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCCN(CC(F)(F)F)CC3)cc2N1	301618258	LCGHQCYJBJEBHK-UHFFFAOYSA-N	374.319	2.000	10	10	FECE	
CC[C@@H](CO)N1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1	179393480	YTIKPPZHLKKKHE-KRWDZBQOSA-N	356.470	2.018	10	10	FECE	
C[C@H](NC=C1C(=O)NC(=S)NC1=O)c1ccc(-c2ccccc2)cc1	121035359	SUVYFSBVVRAYMP-LBPRGKRZSA-N	351.431	2.419	10	10	FECE	
COc1ccc(N2CCN(CN3Cc4ccc(OC)cc4C3=O)CC2)cc1	189695847	VPPGLSBEGWPWHW-UHFFFAOYSA-N	367.449	2.439	10	10	FECE	
CN(Cc1cccnc1)C[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	190635920	RVYNIKZZXDQZQV-SUQGKYDKSA-N	367.449	2.487	10	10	FECE	
CO[C@H](C)CN(C)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	807062676	IXJNMGVOKBIRIJ-QGZVFWFLSA-N	374.529	2.395	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnc(C4CC4)nc3)CC2)cc1F	295123074	MRMPGUVZJIDOOG-UHFFFAOYSA-N	356.401	2.464	10	10	FECE	
C[C@]12COC[C@@]1(C)CN(C(=O)NCc1ccc(N3CCC(O)CC3)cc1)C2	823519853	PHHOBWCEIHWJKC-OYRHEFFESA-N	373.497	2.216	10	10	FECE	
COC(=O)[C@@H](COC(C)C)N(C)C(=O)c1cc2cc(O)c(O)cc2s1	901117594	MAHOEKYCCONDRW-LLVKDONJSA-N	367.423	2.351	10	10	FECE	
Cc1ccc(C[C@@H](C)N(C)C(=O)C(=O)NCCc2ccc(N)cc2)cc1	842234738	BCTDUPLIKFYLMJ-MRXNPFEDSA-N	353.466	2.326	10	10	FECE	
NC(=O)C1CCN(c2ccc(CN[C@H]3CCNC34CCCC4)cc2)CC1	925777998	SLYUBWRFNNVHJO-IBGZPJMESA-N	356.514	2.153	10	10	FECE	
COC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1C	855228884	HLPXUQQFPLXIOO-AWEZNQCLSA-N	371.437	2.435	10	10	FECE	
CC[C@H](CN1CCCC1)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	853854870	VHXTVFOMDMKSHG-SJORKVTESA-N	360.502	2.448	10	10	FECE	
COC(=O)CCNC(=O)CCN[C@H](C)c1ccc(N2CCCCC2)cc1	858541126	SUVIQCHRUSZZEP-MRXNPFEDSA-N	361.486	2.397	10	10	FECE	
CCCC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	855231931	YWXPBYGQISQDFJ-YJBOKZPZSA-N	359.470	2.181	10	10	FECE	
COc1ccc(N2CCN(C(=O)COc3ccc(C)nc3OC)CC2)cc1	863479100	WUAXFRLHQYVRMQ-UHFFFAOYSA-N	371.437	2.135	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN[C@@H]3CCCC34CC4)CC2)cc1	872218376	MUZNGHAQCIHBPR-UYAOXDASSA-N	359.514	2.100	10	10	FECE	
Nc1cc(NCc2ccc(N3CCOCC3)cc2)cc(CO)c1[N+](=O)[O-]	779427799	CVPQOZLOUQHSFB-UHFFFAOYSA-N	358.398	2.118	10	10	FECE	
O=C(Nc1nccs1)[C@H]1CCCN1C(=O)/C=C\c1ccc(O)c(O)c1	779475860	MLZZXVPULRFLDA-TXNVCOODSA-N	359.407	2.197	10	10	FECE	
CN(C)C(=O)[C@H]1CCCN1CCCNCc1c(O)ccc(Cl)c1F	790954939	GDWVBGBJSLPJFN-CQSZACIVSA-N	357.857	2.217	10	10	FECE	
O=C(C(=O)N1CCC[C@H](CC(F)(F)F)C1)N1Cc2cccc(O)c2C1	1332040445	ZKGCJWLOUCXCHF-LLVKDONJSA-N	356.344	2.425	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1Cc2cccnc2C1	1346117240	XQXDZMQDVNBJFM-GOSISDBHSA-N	351.450	2.292	10	10	FECE	
Nc1c(C(=O)NCCc2ccc(O)c(O)c2)cc(Cl)c(F)c1[N+](=O)[O-]	1294914238	YGOVRTPCPJCWBJ-UHFFFAOYSA-N	369.736	2.353	10	10	FECE	
Cc1nnc(N(C)Cc2cnccn2)n1Cc1ccc(N(C)C)c(F)c1	1543153323	VYVWHTXAYNXGDZ-UHFFFAOYSA-N	355.421	2.266	10	10	FECE	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3c(O)cccc3O)c12	1635843383	PKBRCOHIZWDNGA-UHFFFAOYSA-N	352.394	2.495	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)Cc1ccc(O)c(O)c1	1633830600	YQPUJHSMIOCKBU-ZDUSSCGKSA-N	350.415	2.156	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)c3cnc(C4CC4)o3)cc2)CC1	1584506957	JLTXEHZYCCYBQY-UHFFFAOYSA-N	368.437	2.184	10	10	FECE	
Cc1cccc(N2C[C@@H](C(=O)NCc3cc(O)ccc3O)CC2=O)c1C	1593873749	ZJKBCSGAFJOUAT-HNNXBMFYSA-N	354.406	2.384	10	10	FECE	
COC(=O)[C@H]1CCN1C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1	1597748536	RDIYZILFKKGDAY-GOSISDBHSA-N	354.406	2.223	10	10	FECE	
O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C\C=C\c2ccccc2)SC1=S	16043845	HHZNREZBHSAEEX-ZDFYUSFFSA-N	363.416	2.372	10	10	FECE	
COc1ccc(O)c(CNC(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCCC2)c1	155951194	CFTSERBLIBNUIA-IRXDYDNUSA-N	360.454	2.446	10	10	FECE	
COc1cccc(CNC[C@H]2CO[C@H](CNC(=O)OC(C)(C)C)C2)c1O	1967888706	KMTUZNYMDATIJC-ZFWWWQNUSA-N	366.458	2.420	10	10	FECE	
COc1cc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)ccc1CN	2139699683	ZAJNZWRUNHPZRS-CTNGQTDRSA-N	353.466	2.244	10	10	FECE	
CN1CCN[C@@H](c2cc(Br)cc(Br)c2O)C1=O	1951870794	HKFJOVHFKRYFNJ-VIFPVBQESA-N	364.037	2.020	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1cccc(O)c1O	2030121935	DOTBVTPOWMDJGJ-ZFWWWQNUSA-N	352.431	2.212	10	10	FECE	
C[C@@H](NC[C@@H]1COCCN1C(=O)OC(C)(C)C)c1c(O)cccc1O	310605616	ATMLSIZZVUFILV-CHWSQXEVSA-N	352.431	2.384	10	10	FECE	
CC(C)(C)OC(=O)N1Cc2nccn2C[C@@H](NCc2cccc(O)c2O)C1	2163406730	XDHKSMJDQNURSN-CQSZACIVSA-N	374.441	2.203	10	10	FECE	
O=C(c1ccc(O)c(O)c1)N1CCC[C@H]2CC[C@]21CNC(=O)C(F)(F)F	2174800275	NZANUSFLCGAPFP-ZBEGNZNMSA-N	372.343	2.161	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CCC2)C[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1	2049781650	XHWAKGXRORCBDH-MGPQQGTHSA-N	350.459	2.432	10	10	FECE	
COCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2060640728	YCMXIVMDOXCDFT-CHWSQXEVSA-N	355.439	2.465	10	10	FECE	
Cn1ncc(NC(=O)Nc2ccc(N)cc2)c1I	2254142560	GJRXIRPRCMKDIS-UHFFFAOYSA-N	357.155	2.251	10	10	FECE	
[N-]=[N+]=NCCNC(=O)c1ccc(I)c([N+](=O)[O-])c1	2264037437	KNOGRTVUCAMAEF-UHFFFAOYSA-N	361.099	2.240	10	10	FECE	
CCc1nc(CN2CCN(C(=O)C=Cc3ccc(O)c(O)c3)CC2)cs1	2307986541	GXWXBYKJOFFVTP-UHFFFAOYSA-N	373.478	2.474	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1OC	2315988487	JDYVVOWNZDAQEE-STQMWFEESA-N	355.439	2.417	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCC(c3ccnn3CCO)CC2)cc1	120936847	LDFCDWAFLPINME-UHFFFAOYSA-N	371.485	2.031	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)N2CCOCC2)N2CCCCC2)cc1	36100120	CUKCSTPZTJDCBP-LJQANCHMSA-N	360.502	2.321	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC[C@H](CNC(C)=O)C2)c([N+](=O)[O-])c1	214145974	LSOXEAYILDLBJO-DDJMYBDESA-N	361.398	2.134	10	10	FECE	
O=C(Nc1ccc(I)cn1)c1cc(O)c(O)c(O)c1	2132406587	JCZSHULNFLSDCQ-UHFFFAOYSA-N	372.118	2.055	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cc3noc(C(C)(C)F)n3)CC2)cc1	277766564	CDXFBQPJDZWELP-UHFFFAOYSA-N	362.405	2.174	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@H]1CCO[C@@H]1c1c(C)nn(-c2ccccc2)c1C	808548588	NNXWMPGETNREDN-LPHOPBHVSA-N	370.405	2.268	10	10	FECE	
O[C@H](CNCc1ccc(N2CCN(CC3CC3)CC2)cc1)C(F)(F)F	819200347	OHRMNMKKMNQTPU-QGZVFWFLSA-N	357.420	2.231	10	10	FECE	
CCN(CC)CCS(=O)(=O)NCc1ccc(N2CCSCC2)cc1	810041715	MURUWNYIXPSYOR-UHFFFAOYSA-N	371.572	2.001	10	10	FECE	
O=C(NCC1=CCOCC1)NCc1ccc(N2CCC(CO)CC2)cc1	836548435	KFEPBRYXZRZTQG-UHFFFAOYSA-N	359.470	2.041	10	10	FECE	
CN(C)c1ccc(CN(C(=O)N[C@H]2CNCCC2(F)F)C2CC2)cc1	842007109	XIDFDWUOGKHIDG-INIZCTEOSA-N	352.429	2.424	10	10	FECE	
Cc1cc(CC(=O)OCC(=O)NC(N)=O)c(C)n1-c1ccc(Cl)cc1	749985473	LOSDCNJAOBTOFM-UHFFFAOYSA-N	363.801	2.028	10	10	FECE	
CC[C@H](NC(=O)C(=O)NCCCSc1nccs1)[C@@H]1CCCCO1	848934409	BGNZQYAOAWETBB-STQMWFEESA-N	371.528	2.205	10	10	FECE	
C[C@H](NC[C@H](O)c1ccnn1C)c1ccc(N2CCOCC2)cc1Cl	927135657	ZWTSYJRITOAZPF-UGSOOPFHSA-N	364.877	2.294	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC2(CC(N)=O)CCC2)c1	859974575	NOGUWCRFLKWLSX-UHFFFAOYSA-N	353.422	2.435	10	10	FECE	
COc1cc(Br)cc([C@@H](C)N[C@@H]2CCN(C(C)=O)C2)c1O	857084365	OLJYIDDXSBGAFR-BXKDBHETSA-N	357.248	2.435	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCN3C(=O)C(C)C)C2)cc1	855229067	HEVAQZWGTBBPGT-YJBOKZPZSA-N	359.470	2.037	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)c2cn(C[C@H]3CCOC3)nn2)cc1	858605023	OCPPPQAJLIQNRJ-MRXNPFEDSA-N	357.458	2.091	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccccc3S(C)(=O)=O)C2)cc1	855229904	AQMNHQZEFBOGTR-AWEZNQCLSA-N	374.462	2.107	10	10	FECE	
Fc1cc(CNCc2ncc(Br)[nH]2)ccc1N1CCOCC1	921555562	DOCJAKBKIRSXEF-UHFFFAOYSA-N	369.238	2.438	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3C[C@@H](C)C(O)[C@H](C)C3)CC2)cc1	853643752	NUGFUPXEQUOLPE-HUUCEWRRSA-N	361.486	2.322	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCN(C4CC4)C[C@H](C)C3)C2)cc1	854297631	POVBUDNCIWJIPW-DLBZAZTESA-N	372.513	2.400	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CC[C@H](Cn3ccnn3)C2)c1O	853521775	GFOZWUQEBJMELL-AWEZNQCLSA-N	366.421	2.446	10	10	FECE	
CC1CCN(c2ccc(CNc3ccc(C(=O)NCCO)nn3)cc2)CC1	768524471	OUMSGOOYJDVIKQ-UHFFFAOYSA-N	369.469	2.047	10	10	FECE	
CC(C)(C)OC(=O)COCCNC(=O)NCc1cc(Cl)ccc1O	868888651	JIKHELAKGQGMMO-UHFFFAOYSA-N	358.822	2.203	10	10	FECE	
O=C(C[C@@H]1CCOC1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	768543430	JHVKCIHZAWZJNK-IBGZPJMESA-N	357.498	2.261	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN3C[C@@H]4CCCC[C@@]43C)CC2)cc1	1118906800	XSWHRPDFDXNIEY-DWLFOUALSA-N	373.541	2.443	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c1O	879930847	IDSNKASTNCPLAP-DGCLKSJQSA-N	357.859	2.115	10	10	FECE	
C[C@H](NC(=O)[C@@H]1CCOC[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O	1877573385	KHUZZDGWNREHCN-CFVMTHIKSA-N	364.442	2.499	10	10	FECE	
O=C(O)CN1C(=O)/C(=C\c2cc(-n3ccnc3)cs2)SC1=S	783685351	WXJNOKYHUMSSKS-ONNFQVAWSA-N	351.434	2.220	10	10	FECE	
COC(=O)c1c(CNC[C@@H]2CCOC[C@H]2OC)c2cc(F)ccc2n1C	894887365	DRBKXEOURBZQOW-YVEFUNNKSA-N	364.417	2.245	10	10	FECE	
C[C@H](NC(=O)C(=O)NCc1cc(C2CC2)no1)c1ccc(N(C)C)cc1	897864780	BOYFFTBAPLKIGK-LBPRGKRZSA-N	356.426	2.112	10	10	FECE	
C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O	792532948	GBEOIJFZRANWFY-KCJUWKMLSA-N	366.361	2.177	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN(C)Cc3cnccc3C)CC2)cc1	796508360	VTRICMADLPTDLV-UHFFFAOYSA-N	368.481	2.179	10	10	FECE	
COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1O	1084312033	PDYFLTWHDYHZRM-FLIBITNWSA-N	372.377	2.371	10	10	FECE	
O=C(CNC(=O)Cc1cccc(F)c1)NCc1cc(Cl)ccc1O	1165498293	LNLJWAMVDBSCLL-UHFFFAOYSA-N	350.777	2.160	10	10	FECE	
COc1ccc(N2CCCN(c3nnc(C)n3C[C@H](C)OC)CC2)cc1	1315515196	HSYOJPOOJKUVBF-HNNXBMFYSA-N	359.474	2.347	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CC(=O)NCc1cc(O)ccc1O)C1CC1	1176754990	JMWMAFXLYLYCDY-AWEZNQCLSA-N	350.415	2.407	10	10	FECE	
COc1ccc(CNCc2cccc([C@]3(C)NC(=O)NC3=O)c2)cc1C	1327212663	HWNSXFWCVJUPKL-FQEVSTJZSA-N	353.422	2.348	10	10	FECE	
COC(=O)C[C@@H]1CCC[C@H]1NC(=O)N[C@H](C)c1cc(OC)ccc1O	1256486462	AKYIOZTWJGPYQE-TYNCELHUSA-N	350.415	2.493	10	10	FECE	
C[C@@H](NC(=O)C(=O)NC[C@H]1CCC(C)(C)CO1)c1ccc(N(C)C)cc1	1332859845	VJERCFHOWZTDDJ-RHSMWYFYSA-N	361.486	2.251	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCC[C@]2(C1)CC2(F)F	1346241953	MLPNFSXYPIELNA-GOSISDBHSA-N	365.424	2.359	10	10	FECE	
COC(=O)c1ccc(CNC(=O)c2cc3cc(O)c(O)cc3s2)nc1	1448219740	FPESVXAFISOYFP-UHFFFAOYSA-N	358.375	2.424	10	10	FECE	
C[C@@]1(C(=O)NCc2ccc3cccnc3c2O)Oc2ccccc2NC1=O	1451960659	OHFJAQCYDVWYLF-FQEVSTJZSA-N	363.373	2.346	10	10	FECE	
Cc1ccn2cc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)nc2c1	1533683367	IAQVPNMTDHZLJW-UHFFFAOYSA-N	363.465	2.325	10	10	FECE	
Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(O)c(O)c3)C2)n1	1464323567	URGJIMACMCYHEW-OAHLLOKOSA-N	369.421	2.221	10	10	FECE	
Cc1nnc(N(C)Cc2cnn(C)c2)n1Cc1ccc(N(C)C)c(F)c1	1543150628	DAMPJWBXKQOILM-UHFFFAOYSA-N	357.437	2.210	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnc2c(c1)NC(=O)CS2	1568737631	GXBBYMBNFVLBDR-UHFFFAOYSA-N	364.423	2.247	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CC3(CCOCC3)CC[C@@H]2CO)cc1	1596992670	SZPFYDGIRRCTGY-OAHLLOKOSA-N	360.414	2.243	10	10	FECE	
C[C@@H](N=c1nc(CNC(=O)OC(C)(C)C)[nH]n1C)c1ccc(F)cc1O	2126796041	MXOXSMRSIUFDQM-SNVBAGLBSA-N	365.409	2.280	10	10	FECE	
COCCN1C(=O)/C(=C/c2cccc(OC)c2OC)C(C(=O)OC)=C1C	5825915	HBNBYZKVCPLAPD-SDNWHVSQSA-N	361.394	2.023	10	10	FECE	
CN(C)c1ccc([C@H](NC(=O)C2CCC(=O)CC2)c2nccn2C)cc1	1865988074	PSELQNAQSYVSEH-SFHVURJKSA-N	354.454	2.451	10	10	FECE	
Nc1ccc(CS(=O)(=O)NCc2csnc2Br)cc1	1925344571	KDMKPGKSCPKKNH-UHFFFAOYSA-N	362.274	2.107	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)C1C[C@H]2C[C@@H]2C1	2052124235	HBQLLVWKBFWCQS-NYUIVRSMSA-N	350.459	2.191	10	10	FECE	
CN1CCc2cc([C@H](O)[C@@](C)(NC(=O)OC(C)(C)C)C(=O)O)ccc21	2058196932	GXYFVMAIWCURLH-KBXCAEBGSA-N	350.415	2.080	10	10	FECE	
CO[C@@H](C(=O)N1CC[C@@H](CN=[N+]=[N-])C1)C1CN(C(=O)OC(C)(C)C)C1	2060634450	ZSSKCFZKQYMGMD-WCQYABFASA-N	353.423	2.027	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)O1	2060632906	HHSCIYUIDJWCTK-AVGNSLFASA-N	353.423	2.218	10	10	FECE	
CN(C(=O)C1=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1F	2080946594	MOVJYXAGRLYIFV-HIFRSBDPSA-N	350.390	2.373	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CCCc3cc(N)ccc32)=C[C@@H]1O	2200986481	BNZJJKHFAGZVGA-RDJZCZTQSA-N	373.453	2.132	10	10	FECE	
C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)Nc1ccc(N)cc1	2257557381	AIRUTUULINCGGD-GFCCVEGCSA-N	352.435	2.008	10	10	FECE	
CCCCCCN1C(=O)NC(=O)C(=CNCc2ccc3c(c2)OCO3)C1=O	2296099123	RFKXBEVMYCQOFF-UHFFFAOYSA-N	373.409	2.048	10	10	FECE	
C[C@@H](N)c1ccc(N2CCN(CCN(C)C)CC2)c(Br)c1	61698262	SMJJCEOAYNAQKI-CYBMUJFWSA-N	355.324	2.152	10	10	FECE	
Cc1ccnc(N2CCC[C@@H](C(=O)NCc3ccc(N(C)C)cc3)C2)n1	65001315	DFXZKUQTURTCJR-QGZVFWFLSA-N	353.470	2.384	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2Cc3ccccc3C3(CC3)C2)c1	187293715	KAIIRPNTXYGQOF-UHFFFAOYSA-N	372.446	2.451	10	10	FECE	
C[C@H](Nc1cnn(CC(=O)NCCO)c1)c1ccc2ccccc2c1O	186508166	LZJJGSUCFSADBM-ZDUSSCGKSA-N	354.410	2.024	10	10	FECE	
CN(C)c1ccc(CNC(=O)NCc2cccnc2-n2ccnc2)cc1	48140575	HPNBHDIKWSVLJO-UHFFFAOYSA-N	350.426	2.333	10	10	FECE	
CCOc1ccc(/C=C2\SC(=S)N(NC(C)=O)C2=O)cc1OC	40867533	QDRWQJUKDZVVLE-JYRVWZFOSA-N	352.437	2.346	10	10	FECE	
C[C@@H](O)CCN(C)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92451838	LBMOJRHJXMDEGG-QGZVFWFLSA-N	374.529	2.131	10	10	FECE	
O=S(=O)(CCc1ccccc1)N1CCN(c2ccc3c(c2)OCO3)CC1	243321960	LNUODCLDAFJHDB-UHFFFAOYSA-N	374.462	2.110	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N2CCN(C)c3cc(F)ccc32)c1	255329587	ROITWUNCKIFYKD-UTCJRWHESA-N	354.385	2.077	10	10	FECE	
CC[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CCN1C[C@H](C)O	253005499	DJYCGCYMMQRXBD-PKOBYXMFSA-N	374.529	2.273	10	10	FECE	
CNC(=O)c1cc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cn1C	268010184	QRQLUMSOHYJLPP-UHFFFAOYSA-N	365.455	2.323	10	10	FECE	
CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)NCc1ccc(N2CCCC2)cc1	284118314	TVEFYGVVILDABJ-AEFFLSMTSA-N	363.502	2.244	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)NC(=O)c1cccs1	808092835	ALRHOSBZDWRACD-NSHDSACASA-N	353.440	2.374	10	10	FECE	
CCN(CCNC(=O)NCc1cc(Br)ccc1O)C1CC1	805076065	NIVNNFJZWIXEOJ-UHFFFAOYSA-N	356.264	2.438	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H](C)n1nc(C)cc1C	819696103	LMBQWOBWSUQELI-HNNXBMFYSA-N	359.426	2.358	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3(C(F)F)CC3)cc2)C1	843535446	YBCYAXNBFHLPAV-CYBMUJFWSA-N	351.397	2.050	10	10	FECE	
C[C@H](NC(=O)N[C@@H]1CCC[C@H](CO)C1)c1ccc(N2CCOCC2)cc1	840271861	PWIAWCMOACSCCJ-XYJFISCASA-N	361.486	2.435	10	10	FECE	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CC(F)(F)CN)cc1	846676869	JTJDTMBTLVFEMM-INIZCTEOSA-N	355.429	2.244	10	10	FECE	
CC(C)(C)OC(=O)NC/C=C/CNC(=O)NCc1c(O)cccc1F	922512948	LIIAYBTZTVXXTM-SNAWJCMRSA-N	353.394	2.411	10	10	FECE	
COC(=O)[C@@H]1CSCCN1C(=O)c1cc2cc(O)c(O)cc2s1	925192831	SUEORZVHIHAFCR-VIFPVBQESA-N	353.421	2.043	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CCCN(c3cnn(C)c3)C2)c1	756613074	NTESEHITVDLJMW-DZGCQCFKSA-N	358.442	2.232	10	10	FECE	
COc1ccc(N(Cc2ccco2)CC2CN(S(C)(=O)=O)C2)cc1F	929990968	GUIRTSABIMHDJU-UHFFFAOYSA-N	368.430	2.325	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3nc(C4CC4)no3)C2)cc1	851964613	CXIGMWADOIMPKZ-CYBMUJFWSA-N	357.414	2.034	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H]3COc4ccccc4O3)C2)cc1	855229771	QGBDDHLEOKRSHE-IFXJQAMLSA-N	354.406	2.230	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](CO)c3ccccc3)C2)cc1	854298943	CEYNJNFLRGQPEJ-MSOLQXFVSA-N	369.465	2.349	10	10	FECE	
COc1cc(Br)cc([C@H](C)N[C@H](CO)c2ccnn2C)c1O	858435615	MWFZQQWKTHEWAV-JOYOIKCWSA-N	370.247	2.281	10	10	FECE	
C[C@@H](NCC[C@H]1CNCCS1(=O)=O)c1ccc(Cl)c(Cl)c1O	925790217	ACMLHNMRYNIDBX-ZJUUUORDSA-N	367.298	2.126	10	10	FECE	
COCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2cc(C)cc(OC)c2O)C1	754723368	QZHVVRXSBFZMLQ-HUUCEWRRSA-N	350.459	2.072	10	10	FECE	
COc1ccc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)cc1	853760616	LIKHXOQSGAAUQI-CYBMUJFWSA-N	356.382	2.393	10	10	FECE	
O=C1N[C@@H](C[C@@H]2CCCOC2)C(=O)N1CCCSc1nccs1	863504618	USCNTXSDDMIXNZ-RYUDHWBXSA-N	355.485	2.362	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)c1cccnc1N1CCOCC1	862027996	MONBXMXEHAXEPL-UHFFFAOYSA-N	364.405	2.102	10	10	FECE	
CCn1cc([N+](=O)[O-])c(C(=O)NCc2cccc(Br)c2O)n1	765726305	FSJQKCQKDADSDV-UHFFFAOYSA-N	369.175	2.209	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCN2C)C1	867529409	HSIKZBDHGOOIDZ-FUHWJXTLSA-N	373.497	2.074	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCO[C@H](CC(N)=O)C2)c1C	863487970	AEJAXEHKJZDROF-MRXNPFEDSA-N	355.438	2.119	10	10	FECE	
O=C([C@@H]1CCCN(Cc2cc(Cl)cc(F)c2O)C1)N1CCOCC1	775647866	FVIITUWCZCOTEY-GFCCVEGCSA-N	356.825	2.256	10	10	FECE	
Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)N1Cc2cccc(O)c2C1	871203268	VSWBKVJDIPGCNN-UHFFFAOYSA-N	366.421	2.059	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H]3c4c[nH]nc4CC[C@H]3C)C2)cc1	880660618	QRGKLSRQQDWHDX-BIENJYKASA-N	354.454	2.479	10	10	FECE	
O=C(NCCCN1CCCC1)NCc1cc(Br)ccc1O	794803282	FYGQQFATRSPPLB-UHFFFAOYSA-N	356.264	2.440	10	10	FECE	
CC(C)N1CCC[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1	1301350038	KGVSWGUGWFPBEQ-SFHVURJKSA-N	359.514	2.384	10	10	FECE	
COC(=O)/C=C\c1ccc(N2C[C@H](C)[C@@](C)(C(=O)OC)C2)c([N+](=O)[O-])c1	1163906290	CXRAAYDSYQKAJY-IXWQIDHGSA-N	362.382	2.416	10	10	FECE	
C[C@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3COC[C@@H]3O)cc2Cl)C1	1235835224	VDTSHUURBPPKPV-MJEQTWJJSA-N	367.877	2.135	10	10	FECE	
CN(C)c1ccc(CNCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc1F	1318566437	NFRGQKAXGCOUDV-HXUWFJFHSA-N	370.428	2.236	10	10	FECE	
O=C(Nc1cn[nH]c1)[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1	1468257520	NYGYATQNZZLBOX-VIFPVBQESA-N	372.406	2.136	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@]2(C)C1	2118164675	RTJHWFUSUBJOEX-BFUOFWGJSA-N	362.426	2.427	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)[C@](C)(O)Cc2ccccc2)N(C)C)cc1	1637005034	ZTTOOIMXRVWEOW-RBBKRZOGSA-N	369.509	2.465	10	10	FECE	
CON(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc2c(c1)CCCN2C	1730968570	KJPCMCNGYSOSDE-MRXNPFEDSA-N	357.458	2.210	10	10	FECE	
COc1ccc(N2CCC(NC(=O)c3ccnc4[nH]c(O)nc34)CC2)cc1	1584360912	DQLIRWKCMPCGGM-UHFFFAOYSA-N	367.409	2.071	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1cccc(NC(=O)[C@H]2CCCO2)c1	1651222984	VIFPSARKZSIEIR-QGZVFWFLSA-N	356.378	2.145	10	10	FECE	
NS(=O)(=O)c1cccc(NC(=O)CSc2ncc(Cl)s2)c1	1652126434	FEWCTDKNYPFJSO-UHFFFAOYSA-N	363.873	2.175	10	10	FECE	
COc1ccc(CNC(=O)NCCNC(=O)OCc2ccccc2)c(O)c1	1684814875	APEGDIOYQOEPGD-UHFFFAOYSA-N	373.409	2.126	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CC[C@@H](OC(=O)N(C)C)C2)c([N+](=O)[O-])c1	1772984087	BOHDLCXPDLDCGU-SCXUMTSISA-N	363.370	2.058	10	10	FECE	
CN(C)c1ccc([C@@H](CNS(=O)(=O)c2cccc(F)c2)N(C)C)cc1	5098865	MSBPIIYKYQWCOZ-GOSISDBHSA-N	365.474	2.473	10	10	FECE	
CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(O)c(O)c(O)c1	2132351342	WPFJTHSYZVRIDE-HNNXBMFYSA-N	356.422	2.398	10	10	FECE	
O=C(CN1C[C@@H]2C[C@H](C1)CN2Cc1ccccc1)c1ccc(O)c(O)c1	2131196788	FFEDONAFXHHWSG-AEFFLSMTSA-N	352.434	2.487	10	10	FECE	
Nc1cc2c(cc1N1C[C@H]3C[C@@H](C1)N(Cc1ccccc1)C3)NC(=O)CO2	2187747983	LSJMGOFBDYWUCS-HOTGVXAUSA-N	364.449	2.310	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)Nc2ccc(N)cc2)C1	2044621954	WNSSNUDVESXHSA-AWEZNQCLSA-N	350.419	2.026	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CCCOC1	2060618446	ZHOLNCIOOAJSRP-WBMJQRKESA-N	353.423	2.219	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2060609284	UBFAXYCFDIFBRR-LRDDRELGSA-N	353.423	2.050	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(C(=O)NCCCCN=[N+]=[N-])C1	2060615785	SGTKUGSNUDTVML-LRDDRELGSA-N	353.423	2.219	10	10	FECE	
CC(C)(C)OC(=O)NCC1(CCNC(=O)COc2ccc(N)cc2)CC1	2106236117	XEWMPXXDWANBJU-UHFFFAOYSA-N	363.458	2.459	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C	2106677122	FFYJXIUHDWWJTC-UHOFOFEASA-N	360.458	2.289	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4C[C@@H](O)[C@H]4C3)ccc(N)c2C1	2095036010	RBZUEZPWXNISRP-XAYKYTGQSA-N	359.470	2.379	10	10	FECE	
COc1ccc(N(CCNC(=O)OC(C)(C)C)CCN(C)C)c(N)c1	2254621684	RZGYBZZUHITGBT-UHFFFAOYSA-N	352.479	2.170	10	10	FECE	
CC(C)(C)OC(=O)N(CCCO)CCC(=O)N1CC[C@H](CN=[N+]=[N-])C1	2319870380	NZXRXEFTMFHYPZ-CYBMUJFWSA-N	355.439	2.155	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](C(=O)N3CC[C@@H](N=[N+]=[N-])C3)C[C@@H]21	2333782486	ACKFYTOEQBRFAQ-RFQIPJPRSA-N	365.434	2.312	10	10	FECE	
CC1(C)OC(=O)C(=CNc2ccc(I)cc2)C(=O)O1	10121469	DWUBTMBPGBQFQQ-UHFFFAOYSA-N	373.146	2.423	10	10	FECE	
CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc(O)c(O)c(O)c1	2132412464	DRDZGKPZWWORLF-UHFFFAOYSA-N	353.378	2.320	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn(-c2ccc(F)cc2)nn1	183478428	WEHXHZNEJZFOQG-NSHDSACASA-N	356.357	2.179	10	10	FECE	
CCN1CC[C@@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)[C@H](C)C1	128620992	QXQWPLHAPRSICH-YLJYHZDGSA-N	374.529	2.395	10	10	FECE	
COC[C@@H](O)CN1CCC(N[C@H](C)c2cc3c(cc2O)CCCC3)CC1	186194780	PGUGBFVWCKGTBD-BEFAXECRSA-N	362.514	2.393	10	10	FECE	
COc1ccc(N2CCOCC2)cc1NC(=O)c1cccnc1N(C)C	41340324	KDZXPFBHGJZXRR-UHFFFAOYSA-N	356.426	2.245	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCCCN(C(=O)c2cc(O)c(O)c(O)c2)C1	2132401643	VAIGQWGORJQPTO-LBPRGKRZSA-N	366.414	2.323	10	10	FECE	
CC[C@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CCN1C[C@H](C)O	246699740	BZXLFWVLVRATAZ-WMZOPIPTSA-N	370.497	2.406	10	10	FECE	
COC(=O)C1(N(C)C(=O)/C=C\c2ccc(N3CCOCC3)cc2)CCCC1	255496562	OZDIJFVOECGRNO-YFHOEESVSA-N	372.465	2.481	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1	283992209	JPHDHOSODPNFSS-QFBILLFUSA-N	374.529	2.090	10	10	FECE	
CN1CCCc2cc(CNC(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)ccc21	287655029	VDYILWPXHKIXFJ-WMZOPIPTSA-N	363.502	2.026	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3CCO[C@H](C(F)F)C3)CC2)cc1	802091502	PKGDEDBUPJJTIK-INIZCTEOSA-N	369.412	2.340	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)NC[C@H](C)C(C)C)C2)cc1	824950117	HEJGASVFTFHWEQ-JKSUJKDBSA-N	361.486	2.046	10	10	FECE	
CCC/C=C\[C@H](O)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	909855090	BAAYQFOGACKZGL-AWFCHZOYSA-N	354.397	2.135	10	10	FECE	
O=C(O)c1cnn2c(O)cc(CN(CCC(F)(F)F)CC3CC3)nc12	846255405	FQSUYRFBWSLFEU-UHFFFAOYSA-N	358.320	2.298	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2[C@H]3CC[C@H]2CC(=O)NC3)c1O	748262611	IMQFOFXAFNXBMM-KBPBESRZSA-N	354.406	2.185	10	10	FECE	
Nc1ccc(Cc2nc(C(=O)N[C@H]3CNCCC3(F)F)cs2)cc1	841852197	IEXPKMMRGWNOET-ZDUSSCGKSA-N	352.410	2.043	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1	750663349	SJAOEFBGVPHYOD-LESCRADOSA-N	358.486	2.293	10	10	FECE	
Oc1cccc(Br)c1CNC[C@H]1CCN1C1CCOCC1	922953365	APGSUIDHJPSUKX-CYBMUJFWSA-N	355.276	2.498	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCCCN(C)C3)C2)cc1	858599216	KHKHYZXXJMMKGD-IRXDYDNUSA-N	360.502	2.305	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CN(C)C(=O)OC(C)(C)C)C2)cc1	855229401	JUSRYVQDLAJZST-AWEZNQCLSA-N	363.458	2.257	10	10	FECE	
Cc1cc(CCNC(=O)NC[C@@]2(O)CCN(C)C2)c(C)n1-c1ccccc1	762996162	NCZTYSUWZCNERG-NRFANRHFSA-N	370.497	2.002	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)c3ccncc3)cc2)CC1	867680352	JCLVZRHXDNBRBP-INIZCTEOSA-N	366.465	2.170	10	10	FECE	
Cc1cc(N2CCC[C@@H](NC(=O)NCc3ccc(N(C)C)cc3)C2)n(C)n1	766849047	NPKMBZALMFCUSV-QGZVFWFLSA-N	370.501	2.263	10	10	FECE	
COc1ccc2c(c1)C(=O)N(Cc1ccc(N3CCOCC3)cc1)C2=O	877891016	ZMARICXSOAQHIQ-UHFFFAOYSA-N	352.390	2.328	10	10	FECE	
CC[C@H](C)NC(=O)CCNCc1c(C(=O)OC)n(C)c2ccc(F)cc12	894195415	ZPDBFZFMLCCFAG-LBPRGKRZSA-N	363.433	2.498	10	10	FECE	
CN(Cc1ccccc1O)Cc1c(I)cnn1C	893961285	DVGQJTYBQCNMPQ-UHFFFAOYSA-N	357.195	2.362	10	10	FECE	
C[C@H](NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccc(F)cc1O	702763074	LWICEPZIKYKSOO-MKBNYLNASA-N	354.422	2.410	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC[C@@H]1CC1(Cl)Cl	1261766988	TZKWFIDVRFNJIM-CYBMUJFWSA-N	372.296	2.377	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2cnc(SC)nc2O)cc1	1557356963	QVUPUUZLSPLNFX-UHFFFAOYSA-N	362.455	2.121	10	10	FECE	
CCOC(OCC)[C@@H](C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	1636853847	LNXYHGXCFPVOET-CABCVRRESA-N	365.474	2.361	10	10	FECE	
C[C@@](O)(CSc1cccc(F)c1)C(=O)NCc1c(O)cccc1O	1647289974	MICUAYDVDIWKTN-QGZVFWFLSA-N	351.399	2.396	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2124503147	IANOOPABAAPZSF-OLZOCXBDSA-N	363.422	2.147	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H](C(=O)N2CCC(CN=[N+]=[N-])CC2)C1	2124538836	OAMGHWBCYONLEE-KGLIPLIRSA-N	367.450	2.153	10	10	FECE	
CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)c1ccc(N=NC(N)=O)cc1	1645091887	OPOSVCGHLBLECP-KBPBESRZSA-N	362.386	2.080	10	10	FECE	
COC1(CNC(=O)OC(C)(C)C)CC(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1	2124533209	BNFQBONHHBIYMQ-SFYCDEOASA-N	367.450	2.465	10	10	FECE	
C[C@H](CCNC(=O)NCc1ccc(N2CCSCC2)cc1)[S@](C)=O	163630691	MWLORQYGOYMSDU-JBEBIEQOSA-N	369.556	2.196	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)NCc2ccccc2O)CCCOC1	1969154962	SKHOYSFDYQOHAR-SFHVURJKSA-N	350.415	2.082	10	10	FECE	
O=C(N[C@H](CCc1ccc(O)c(O)c1O)C(=O)O)OCc1ccccc1	1951424127	WSJPQQYRUZRCHF-CYBMUJFWSA-N	361.350	2.116	10	10	FECE	
CO[C@@H]([C@@H](N)Cc1ccc(O)c(O)c1)C(C)(C)NC(=O)OC(C)(C)C	1952911318	RCHLDPRDFVPRRB-WFASDCNBSA-N	354.447	2.286	10	10	FECE	
COCCOCCN(Cc1ccccc1)C[C@H](O)COc1ccc(N)cc1	2152223178	KPPJSEJZRCMDCT-FQEVSTJZSA-N	374.481	2.174	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CCn4cnnc4C3)ccc(N)c2C1	383774374	JXZRRZLUNILCBN-UHFFFAOYSA-N	370.457	2.174	10	10	FECE	
COc1cccc(O)c1CN[C@@H]1COC[C@H]1CNC(=O)OC(C)(C)C	2042568420	GHWAGLHKXZLEOI-TZMCWYRMSA-N	352.431	2.030	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@H](F)CN1C(=O)Cc1ccc(N)cc1	2044640498	FDUMNOQSBRBIRL-DZGCQCFKSA-N	351.422	2.275	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)N(C)CCCN=[N+]=[N-]	2060635056	HIPIBEWOKLAEDP-OLZOCXBDSA-N	355.439	2.417	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2060621029	IZLVLYNXMTZQAG-XQQFMLRXSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](NCc1ccc2c(c1)CCCO2)C(=O)O	2078702707	JSWHTTFAXXZVDG-AWEZNQCLSA-N	350.415	2.079	10	10	FECE	
C[C@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)COc1ccc(N)cc1	2106731772	IVVRBVKGLHRBEA-CYBMUJFWSA-N	363.458	2.361	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C	2106849606	YHCDSEJDQLUQOH-SOLBZPMBSA-N	361.486	2.479	10	10	FECE	
CN[C@H](CN1CC(NC(=O)OC(C)(C)C)C1)c1ccc2c(c1)CCN2C	2113002284	WOHKMLKSKHBNHZ-QGZVFWFLSA-N	360.502	2.148	10	10	FECE	
C[C@@H](NCCn1cnc(I)c1)c1c(O)cccc1O	2228832443	NOYBJTBUFDDJQC-SECBINFHSA-N	373.194	2.250	10	10	FECE	
COc1ccc(C=C2SC(=S)N([C@H](C)C(=O)O)C2=O)cc1OC	2293031063	YFZZDFALGOBYBL-MRVPVSSYSA-N	353.421	2.378	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)NC[C@H](O)c1ccsc1	2299920309	ASNWPGHWHNUCII-SFHVURJKSA-N	358.463	2.448	10	10	FECE	
Cc1cc(C[C@H](C)NC(=O)C=Cc2ccc(N3CCOCC3)cc2)n[nH]1	2301394277	CVNNXWGNPZKHNP-HNNXBMFYSA-N	354.454	2.315	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)COc3ccc(N)cc3)[C@H]1C2	2329479243	CDHWAKATIMFKPE-DAXOMENPSA-N	361.442	2.162	10	10	FECE	
Cc1cccc(N2C(=O)NC(=O)/C(=C\NNc3ccccc3C)C2=O)c1	101350164	PVPLOUFOTUYGTE-RVDMUPIBSA-N	350.378	2.387	10	10	FECE	
CCN[C@@H]1C(=O)Nc2cc(N(C)C(C)(C)CO)c(Br)cc21	126590560	IFMIJCABPPIKIL-ZDUSSCGKSA-N	356.264	2.259	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCCc3ccc(C)nc3)CC2)cc1	171854792	ZVPWQVLKTIMHJS-UHFFFAOYSA-N	354.454	2.473	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)Cc3ccccc3)cc2)CC1	190586322	ACSQZVVGPQFZLU-UHFFFAOYSA-N	351.450	2.214	10	10	FECE	
CCOC(=O)C1(O)CCN(Cc2cc(Br)cc(C)c2O)CC1	271776414	HDFCXBSHBMEGAP-UHFFFAOYSA-N	372.259	2.353	10	10	FECE	
C[C@@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)c1ccc(N2CCOCC2)cc1	745779187	NIUHJYNSLLUYKF-YLJYHZDGSA-N	370.497	2.240	10	10	FECE	
COc1ccc2ccc(O)c(CN3CCN(CCC(=O)N(C)C)CC3)c2c1	760415184	SKSVLYAUEKOLDX-UHFFFAOYSA-N	371.481	2.150	10	10	FECE	
COc1ccc(N2CCC(NC(=O)c3cccc4ncnn34)CC2)cc1	782122190	CFWFTNPDIIWLAR-UHFFFAOYSA-N	351.410	2.137	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)C(C)(C)CSC)CC2)cc1	800466653	DKYDBCXSGQVZNA-UHFFFAOYSA-N	365.543	2.323	10	10	FECE	
CCOC(=O)C[C@H](CO)NC(=O)c1cc(C)n(-c2ccccc2C)c1C	816668735	VWWCVXYRMLTOOA-MRXNPFEDSA-N	358.438	2.446	10	10	FECE	
CC(=O)NC[C@@H]1CN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)CCO1	828087859	OZLYWQNHUJPCPZ-HXUWFJFHSA-N	369.465	2.000	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cc1	834699169	XMSILTXNKJFVGC-BFYDXBDKSA-N	371.481	2.085	10	10	FECE	
CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1n1cccn1	836220211	VDKLRGBFURODLT-KURKYZTESA-N	357.458	2.167	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3CC[C@@H](CN4CCOC4=O)C3)ccc21	838031234	BJQWGLQXZNDTKT-MRXNPFEDSA-N	372.469	2.053	10	10	FECE	
CCN1CCN(c2ccc(CN[C@H](C)[C@H]3C[C@H]3C(=O)OC)cc2F)CC1	850127473	WTOYEJXTKBOIOM-DJIMGWMZSA-N	363.477	2.255	10	10	FECE	
CC1(C)OCC[C@H]1CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1	851990599	VENKJVWBOITRNC-HNNXBMFYSA-N	365.449	2.277	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3c(C(F)(F)F)cnn3C)C2)cc1	855227831	ZUGQXWVBISZGSO-LLVKDONJSA-N	368.359	2.456	10	10	FECE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	897488778	LTCPYOKLLRORRN-TWKWOARYSA-N	355.482	2.311	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](CC1CCOCC1)C(=O)O	909043944	YQQBINQEMFZWNA-QGZVFWFLSA-N	363.458	2.130	10	10	FECE	
Cc1ccc(O)c(CNC(=O)[C@]2(C)C[C@H](O)CN2C(=O)OC(C)(C)C)c1	913000447	JUUFCDNMMAQCIC-LIRRHRJNSA-N	364.442	2.077	10	10	FECE	
Cn1nc(C(F)(F)F)cc1CN1C(=O)CN(Cc2ccccc2O)C1=O	925224732	AHAFIMBXCCKLHW-UHFFFAOYSA-N	368.315	2.109	10	10	FECE	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@@H]1C=C[C@H]2C[C@@H]1CO2	925233243	TVBQGCDKLCAILK-LNSITVRQSA-N	362.813	2.401	10	10	FECE	
CCc1cccc(CNCc2cccc([C@]3(C)NC(=O)NC3=O)c2)c1O	1118400118	KKIFKOZQBUOKSZ-FQEVSTJZSA-N	353.422	2.299	10	10	FECE	
Cc1cc(=NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc(C)[nH]1	1319532048	UXAVNMPYLDDGHA-UHFFFAOYSA-N	358.417	2.418	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(N2CCOCC2)cc1	1321902368	KCSTYRNEWWYPOU-RIVXBTQJSA-N	371.481	2.005	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc2c(n1)CCCN2	1472491434	GNBPHRBCYJQFMC-UHFFFAOYSA-N	370.428	2.345	10	10	FECE	
NC(=O)c1ccc2c(n1)N(C(=O)/C=C/c1cnc3ccccc3n1)CCC2	1538420206	YRCTWOBOSDXSQT-CSKARUKUSA-N	359.389	2.116	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CCC2)n1CC(=O)NCC1CC1	1617940530	OUXQXMVWIOXJJI-UHFFFAOYSA-N	369.469	2.414	10	10	FECE	
CC[C@@H](C)c1ncc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cn1	1626070050	OXMLXMUEFCHVLY-SNVBAGLBSA-N	364.427	2.320	10	10	FECE	
CCCCNC(=O)[C@H]1CSCN1C(=O)c1ccc(N=NC(N)=O)cc1	1629043000	OLJYMEWLFNMNGX-CYBMUJFWSA-N	363.443	2.280	10	10	FECE	
Cc1c(C(=O)NCc2cc(Cl)ccc2O)nnn1Cc1ccncc1	1632227886	INCZRTJLDFOYAE-UHFFFAOYSA-N	357.801	2.319	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@@H](CO)C[C@H](O)c2ccccc2)cc1	1633381487	HIWOQTIMXQSJAP-CVEARBPZSA-N	356.382	2.063	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1n[nH]c2c1C[C@@H](C)CC2	1639587938	MECMUPYYGGQFCN-ZDUSSCGKSA-N	371.437	2.446	10	10	FECE	
CS(=O)(=O)C[C@H](NC(=O)NCc1c(O)cccc1F)c1ccccc1	1681067821	FIOLNYFSDATWFQ-HNNXBMFYSA-N	366.414	2.116	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@H]2NCc1ccc(O)c(O)c1O	1912298459	CFBQDKVJDXZTIY-FRRDWIJNSA-N	350.415	2.291	10	10	FECE	
COc1cccc(O)c1CNC[C@H]1CO[C@@H](CNC(=O)OC(C)(C)C)C1	1967888937	LQWLOLNFUFZRJY-UONOGXRCSA-N	366.458	2.420	10	10	FECE	
Nc1ccc(OCC(=O)NCC2CN(C(=O)OCc3ccccc3)C2)cc1	1999147747	YMWLXBJOAZGWTA-UHFFFAOYSA-N	369.421	2.032	10	10	FECE	
Cc1cccc(O)c1CNC[C@@H]1C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1	2052663855	RAKUHRPRBZXJQF-QRTARXTBSA-N	350.459	2.454	10	10	FECE	
Nc1ccc(CCNC(=O)c2cc(I)sn2)cc1	2056495232	BOYPUACLAHICIA-UHFFFAOYSA-N	373.219	2.302	10	10	FECE	
CCOC(=O)C[C@@H](O)CN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1	2106580219	SYVJNSBNFYHKNK-MRXNPFEDSA-N	366.458	2.462	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)N1C[C@H](O)COc1ccc(N)cc1	2106735084	VVMGIMXSJZBBRD-JYJNAYRXSA-N	363.458	2.397	10	10	FECE	
C[C@@H]1CCN(CC(=O)Nc2ccc(N)cc2)C[C@@H]1NC(=O)OC(C)(C)C	2106754281	OIDPQLITZVNSPQ-CJNGLKHVSA-N	362.474	2.442	10	10	FECE	
CCN(C(=O)C1=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1cccc(O)c1	2131518305	AMWIIAUGILNHNB-CVEARBPZSA-N	362.426	2.329	10	10	FECE	
CS(=O)(=O)[C@H]1CC[C@@H](NCc2cc(Br)cc(F)c2O)C1	2145392663	PNPREPXWFHVLRJ-MNOVXSKESA-N	366.252	2.349	10	10	FECE	
COc1cccc(CN=c2cc3n([nH]2)CCN(C(=O)OC(C)(C)C)C3)c1O	2149119721	UBHNVHGPXNLSLU-UHFFFAOYSA-N	374.441	2.382	10	10	FECE	
CN1C(=O)[C@H](O)c2ccc(N3C[C@@H]4[C@H](CCN4Cc4ccccc4)C3)cc21	2188872031	MXLQGHDMUNFFQN-MAODMQOUSA-N	363.461	2.407	10	10	FECE	
COc1ccc(OC)c(N2C(=O)NC(=O)C(=Cc3ccsc3)C2=O)c1	2296661330	LFEGJJIJFWDABE-UHFFFAOYSA-N	358.375	2.432	10	10	FECE	
COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1O	2296752667	GDODOUUVRHTPRE-UHFFFAOYSA-N	352.346	2.376	10	10	FECE	
CCN(CCO)C(=O)CCN1C(=O)C(=Cc2cccs2)SC1=S	2296881612	RDUGOGYZCNBECM-UHFFFAOYSA-N	370.521	2.180	10	10	FECE	
C[C@H](NCCOC1CN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1O	2315575219	RYMOSDFYHMAZQP-LBPRGKRZSA-N	352.431	2.384	10	10	FECE	
Cc1ccc(CNS(=O)(=O)CCOC(C)C)c(O)c1Br	2380760335	WSPNAUKVOXOIOZ-UHFFFAOYSA-N	366.277	2.308	10	10	FECE	
Cc1ccc(CNC2CC(CS(C)(=O)=O)C2)c(O)c1Br	2381129541	LPVCLDYCRRMFCJ-UHFFFAOYSA-N	362.289	2.376	10	10	FECE	
Cc1ccc(CNC(=O)C[C@]2(N)CCSC2)c(O)c1Br	2381145394	DPAUDKSUAHYJJF-CQSZACIVSA-N	359.289	2.304	10	10	FECE	
COC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	81203378	RPIJDQXDUWSZHE-KCPJHIHWSA-N	368.380	2.182	10	10	FECE	
CCOC(=O)Nc1ccc(N2CCN(c3ccc(OC)cc3)CC2)nn1	240802413	BAWWZRPVJWCKQU-UHFFFAOYSA-N	357.414	2.380	10	10	FECE	
O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1	367903836	MLZZXVPULRFLDA-FUEXJSSKSA-N	359.407	2.197	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)c2nnc3n2CCCCC3)c1O	365796311	PDJIOAMNXBFALB-NSHDSACASA-N	361.402	2.478	10	10	FECE	
CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	274260752	YHKKSCNPHXWDEH-OUCADQQQSA-N	366.483	2.093	10	10	FECE	
O=C(NCCCn1cccn1)NCc1cc(Br)ccc1O	804945458	FFZIEBRBSONAEQ-UHFFFAOYSA-N	353.220	2.241	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc([N+](=O)[O-])c(F)cc1N	808095433	FGDRVWKTHLHNSZ-UHFFFAOYSA-N	354.334	2.437	10	10	FECE	
C[C@@H](N)c1ccc(N(C)CC2(S(C)(=O)=O)CC2)c(Br)c1	2167825826	NIVBAWVJHDCKSG-SNVBAGLBSA-N	361.305	2.482	10	10	FECE	
O=S1(=O)CCN(Cc2cc(Br)ccc2O)[C@@H]2CCC[C@@H]21	825201798	NYDGLQKKIJCESW-OCCSQVGLSA-N	360.273	2.306	10	10	FECE	
CO[C@@H]1COCC[C@@H]1CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	822786011	KHCGXBFNRANNTP-KVSKMBFKSA-N	362.470	2.142	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1CCC[C@H]2C[C@@H]21	827158655	SNMSHPYQPLRQRR-LNLFQRSKSA-N	355.482	2.455	10	10	FECE	
CC[C@@H](O)CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	822582027	PDUHEZSYIJBJCN-CQSZACIVSA-N	360.376	2.319	10	10	FECE	
COc1ccc(N2CCN(C(=O)CC3CCN(OC)CC3)CC2)cc1F	829869854	ZSESLPRSTICALE-UHFFFAOYSA-N	365.449	2.146	10	10	FECE	
COc1ccc(O)c(CNC(=O)[C@H](C[C@H]2COCCO2)C(F)(F)F)c1	830544104	LYCWQCHWPPUKQV-STQMWFEESA-N	363.332	2.001	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2COC3(CCC3)C2)cc1	830084445	FCISXKRZULFWAI-KRWDZBQOSA-N	373.497	2.319	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H](O)c3ccccc3OC)C2)cc1	912292015	GLVNIGMZQMRTKZ-LIRRHRJNSA-N	356.422	2.132	10	10	FECE	
O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCCN(c2ncccn2)C1	844892447	DQZAYYRIYVTXSK-CQSZACIVSA-N	361.833	2.304	10	10	FECE	
C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)c2ncnn21	851991849	WMDPFRJMRWHZCB-BBRMVZONSA-N	372.498	2.337	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCCN1CCOC1=O	859169333	DPBBVHIIBYMDOG-UHFFFAOYSA-N	369.421	2.479	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)COc3ccc([N+](=O)[O-])cc3)C2)cc1	855230802	YNCAVDXUZZTPIE-CQSZACIVSA-N	371.393	2.377	10	10	FECE	
CC[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCO1	852385021	JHPMOYIQWHATBL-QFBILLFUSA-N	361.486	2.405	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3ccc(C)cc3F)C2)cc1	850537720	XPEJCNPGEGYEAJ-CQSZACIVSA-N	371.412	2.476	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3C[C@@H]4CCC[C@]4(CO)C3)C2)cc1	875717218	YEBVTXZAFZPOLM-RZQQEMMASA-N	359.470	2.078	10	10	FECE	
Cc1cc(CCNC(=O)NC[C@]2(O)CCO[C@H]2C)c(C)n1-c1ccccc1	788850891	CEKWJEXBKOQQPG-LAUBAEHRSA-N	371.481	2.476	10	10	FECE	
COc1cc(C)cc(CN[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)c1O	895450161	UOCAILWFSDGTLE-HZPDHXFCSA-N	368.499	2.192	10	10	FECE	
C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	897488776	LTCPYOKLLRORRN-JZGRTCEGSA-N	355.482	2.311	10	10	FECE	
Cn1cnnc1C1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1	895660924	AFODDACWGRQPQA-UHFFFAOYSA-N	358.423	2.461	10	10	FECE	
CC(=O)N/C(=C\c1cccs1)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	1138153125	YPCBFJPONRJCIY-SAIXKJTDSA-N	360.435	2.384	10	10	FECE	
Cn1nc(C(=O)NCc2ccc3cccnc3c2O)c2ccccc2c1=O	1142728344	RRBRGLORYBKNGR-UHFFFAOYSA-N	360.373	2.117	10	10	FECE	
Cc1ccc(NC(=O)CSCC(=O)NCc2c(O)cccc2O)cc1	1156880972	KDIKOURLRXYXRS-UHFFFAOYSA-N	360.435	2.394	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)NCc1c(O)cccc1O	1304054063	CCCFZEUBJSVWKU-CYBMUJFWSA-N	350.415	2.407	10	10	FECE	
COCCCCNC(=O)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C	1336098846	CWWZAAORSMJQBU-UHFFFAOYSA-N	371.481	2.296	10	10	FECE	
COc1ccc(N2CCN([C@H]3CCCN(C(C)C)C3=O)CC2)c(OC)c1	1197105035	OHXIDKLJCAOTMD-SFHVURJKSA-N	361.486	2.225	10	10	FECE	
CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(N=NC(N)=O)cc1)CC2	1444552067	IMLMOTUUKZAPCA-HUUCEWRRSA-N	360.414	2.241	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2NC(=O)c1cccc(O)c1O	2118186571	NIDBGIGLXCNAGT-ODOQXGPZSA-N	362.426	2.473	10	10	FECE	
CC(C)(C)OC(=O)NCC[C@H]1CN(CCOc2ccc(N)cc2)CCO1	2119413728	ZOKAVGKUPQMZET-KRWDZBQOSA-N	365.474	2.263	10	10	FECE	
Cc1ccc(C(=O)NCCNC(=O)c2ccc(N=NC(N)=O)cc2)cc1	1617629685	HGTRLBBWUQPVSA-UHFFFAOYSA-N	353.382	2.317	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCC[C@@]1(O)CCCOC1	1470679259	FAOLSNKXQIUZDM-FQEVSTJZSA-N	361.486	2.360	10	10	FECE	
COC(=O)N1CCC([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)CC1	1556259079	LRFGXKPJGQLHPI-NSHDSACASA-N	361.402	2.446	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1COC1	2124323180	KPCLUMZTZFJTSN-LRDDRELGSA-N	364.442	2.451	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@]12CCOC[C@H]1CN(C(=O)OC(C)(C)C)C2	2124518559	ZLUAVCKAEBEWCX-CXAGYDPISA-N	367.450	2.419	10	10	FECE	
COc1ccc(CN[C@@H]2CC[C@H](CNC(=O)CCn3ccnn3)C2)cc1C	1688974445	MCEQAEIYIOPVTR-ZWKOTPCHSA-N	371.485	2.060	10	10	FECE	
C[C@H]1C[C@H](CNCc2c(O)cccc2Br)CCS1(=O)=O	1966091710	XGYMGPBVMPHIFL-WDEREUQCSA-N	362.289	2.458	10	10	FECE	
CN1c2ccccc2C(=O)N2CCc3c(n(CC(N)=O)c4ccccc34)[C@H]21	1860347488	RJXYOTLEOQDBDL-FQEVSTJZSA-N	360.417	2.274	10	10	FECE	
Cc1ccc(O)c(CNCCC(=O)Nc2ccc(N3CCOCC3)nc2)c1	1860713648	LOTUINYPJQTFHS-UHFFFAOYSA-N	370.453	2.051	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(Cc2ccccc2O)C1	1972299963	FHZIDBHJSKOWHG-ZIAGYGMSSA-N	350.415	2.335	10	10	FECE	
Cc1nn(C)c(NS(=O)(=O)Cc2ccc(N)cc2)c1Br	382029539	QYDPLBFNJAQFDM-UHFFFAOYSA-N	359.249	2.015	10	10	FECE	
C[C@@H](CCCNS(=O)(=O)Cc1ccc(N)cc1)NC(=O)OC(C)(C)C	2044244410	UTNBCSPEGOOWPT-ZDUSSCGKSA-N	371.503	2.382	10	10	FECE	
COC(=O)[C@H](CNC(=O)OC(C)(C)C)OCCCc1ccc(N)cc1	2059027673	VYAFEDNCMIZHSI-HNNXBMFYSA-N	352.431	2.284	10	10	FECE	
CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)Nc1ccc(N)cc1	2106283930	LTPTWFHDJWCHKP-RRFJBIMHSA-N	364.446	2.461	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)NCCCCN=[N+]=[N-])C[C@H](O)C1(C)C	2073245163	FPKCSIJUYZEOQA-ZBEGNZNMSA-N	355.439	2.247	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1CCC12CN(C(=O)OC(C)(C)C)C2	2106766198	LKGGMFXLVWXEDI-ZDUSSCGKSA-N	360.458	2.291	10	10	FECE	
CN1CCc2cc([C@@H](O)c3cn(C)nc3I)ccc21	2106798346	KBMLBVPRRJXGMV-CYBMUJFWSA-N	369.206	2.099	10	10	FECE	
CCCS(=O)(=O)C[C@H](C)NCc1ccc(Br)cc1O	2114184857	BNLBODBXPNAWCI-JTQLQIEISA-N	350.278	2.458	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)N1CCC[C@H]1CN=[N+]=[N-])[C@H]1CCOC1	2259890347	UKKXZCSBGQRJQG-STQMWFEESA-N	353.423	2.314	10	10	FECE	
NCc1ccc(N2CCS(=O)(=O)C3(CCC3)C2)cc1Br	2279713328	YXJXVCDGFRSDQW-UHFFFAOYSA-N	359.289	2.065	10	10	FECE	
O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc2c(c1)OCO2	2297332837	AIQAOCWPVYYIGL-UHFFFAOYSA-N	350.330	2.077	10	10	FECE	
NC(=O)c1ccccc1COC(=O)/C=C/c1ccc(N2CCOCC2)cc1	109190416	JXBMPVWXCADGTL-JXMROGBWSA-N	366.417	2.379	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)CSc3nncn3C)cc2)CC1	108296224	ZEFJPZCFQFRUGY-UHFFFAOYSA-N	359.499	2.460	10	10	FECE	
O=C(NCCc1ccccc1O)NCc1ccc(N2CCOCC2)cc1	105179659	VGFALTVWRVJJTL-UHFFFAOYSA-N	355.438	2.271	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCCN1CCOC	111865375	CSUSLYYLEWWVEB-IBGZPJMESA-N	362.518	2.395	10	10	FECE	
CCOc1cccc(CN[C@H]2CCCN(c3cc(C)nn3C)C2=O)c1O	173853694	QROCRSFSIKOBRQ-HNNXBMFYSA-N	358.442	2.118	10	10	FECE	
COc1cc(Cl)cc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)c1O	184690869	GGRWZXMKZJUSJG-OAHLLOKOSA-N	351.834	2.460	10	10	FECE	
COc1ccc(F)c(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)c1	88773484	PPWBQBBGEOYAOB-UHFFFAOYSA-N	371.412	2.472	10	10	FECE	
Cc1cc(O)c(CN2CCCN(S(=O)(=O)N(C)C)CC2)cc1C(C)C	811791315	VFVGVSMUQWBFDN-UHFFFAOYSA-N	369.531	2.138	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)C2	819195882	LZPOZZJVBZZCAD-DZKIICNBSA-N	363.433	2.375	10	10	FECE	
COC[C@@]1(C(=O)O)CCCN1C(=O)c1cc(C)n(-c2ccccn2)c1C	818310601	ILNPUMBQYUQBJD-LJQANCHMSA-N	357.410	2.195	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3CC([C@@H]4CCOC4)C3)C2)cc1	824685875	IFJZJWFOSYVXLG-HZPDHXFCSA-N	359.470	2.199	10	10	FECE	
COc1ccc(N2CCN(C(=O)CNc3cn(C)nc3C3CC3)CC2)cc1	902208581	QKBKMGRXENHQLO-UHFFFAOYSA-N	369.469	2.067	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)NN1Cc2ccccc2C1=O	588420786	OGCZWFBHNPPCBB-YFHOEESVSA-N	363.417	2.224	10	10	FECE	
O=C(N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1c(F)ccc(O)c1O	831120232	BKAAAZDFTVZZQV-NEPJUHHUSA-N	350.390	2.148	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN3CCC[C@](C)(F)C3)CC2)cc1	830212387	OIGIPPNYIMYDSU-QUCCMNQESA-N	365.493	2.002	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@@](O)(C(F)F)C1	840484038	MGGMDWDUTHVQSD-UGSOOPFHSA-N	355.429	2.404	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@]3(C(=O)O)C[C@H]4CC[C@H]3C4)C2)cc1	852954733	QKMYCKGIXSXORA-VPCSNGCSSA-N	358.438	2.281	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)[C@@]3(CC(C)C)CCNC3=O)C2)cc1	868955571	BZYLMRGMGYJPQX-IIBYNOLFSA-N	373.497	2.190	10	10	FECE	
O=C(c1ccccc1)N1C[C@H](CNCc2ccccc2O)N2CC[C@H]1C2	767154675	HRMWCBUEBOGZSU-OALUTQOASA-N	351.450	2.081	10	10	FECE	
Cc1nc([C@H]2COCCN2Cc2cccc(Br)c2O)no1	779612700	IEHASBUZXWLWNU-GFCCVEGCSA-N	354.204	2.420	10	10	FECE	
CCOc1ccc(CNc2ccc3c(c2)CN(CC(N)=O)CC3)c(O)c1	788528892	IRTAMOKRMZZGDO-UHFFFAOYSA-N	355.438	2.246	10	10	FECE	
C[C@@H](C(=O)N[C@H](C)c1ccccc1O)N1CC(NC(=O)OC(C)(C)C)C1	1877573358	KAMJDDUTAXYOCD-OLZOCXBDSA-N	363.458	2.167	10	10	FECE	
COC(=O)c1c(CNC[C@@H](O)COCC(C)C)c2cc(F)ccc2n1C	894202832	MOAVBSUWUHVACX-CQSZACIVSA-N	366.433	2.227	10	10	FECE	
O=C(NCCCOC[C@H]1CCOC1)c1cc2cc(O)c(O)cc2s1	896525556	ZMPGSBYLKMQJOE-LLVKDONJSA-N	351.424	2.486	10	10	FECE	
O=C(Cc1ccc(NC(=O)C(F)(F)F)cc1)NCc1ccc(O)cc1O	1142533865	UGBVWQTZUADEBK-UHFFFAOYSA-N	368.311	2.458	10	10	FECE	
COc1ccc(CNC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)c(O)c1	1155573902	CIFYLPRAOCKBQT-UHFFFAOYSA-N	371.368	2.339	10	10	FECE	
Cc1ccc([C@](O)(CC(=O)NCc2c(O)cccc2O)C(F)(F)F)o1	1304053508	MNHJLRUHGNZAFN-OAHLLOKOSA-N	359.300	2.456	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1	1322957068	XLXUANRAJYQDSF-YZVOILCLSA-N	371.481	2.085	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2O)[C@@H](C(=O)O)C1	1964703535	PLVLMKRYUZLUCP-CYBMUJFWSA-N	354.378	2.037	10	10	FECE	
COC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)/C=C/c1cccnc1C	1544609432	LXZCQBBIVXGHNX-SOFGYWHQSA-N	351.362	2.175	10	10	FECE	
COc1ccc(N2CCCN(C(=O)c3cnc4c[nH]nc4c3)CC2)cc1	1544892139	NLKXLHXYEMBUPK-UHFFFAOYSA-N	351.410	2.319	10	10	FECE	
COC(=O)c1cccc(N)c1N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1OC	2122552695	PSOIJVKXZCDJNX-KBPBESRZSA-N	365.430	2.102	10	10	FECE	
Nc1nnc(CCNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)o1	1559166326	HHZCFXNXECKVQQ-UHFFFAOYSA-N	353.338	2.446	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ncsc2C2CC2)c1	1637122603	JMZQHRNLXXZBME-UHFFFAOYSA-N	353.425	2.350	10	10	FECE	
COc1cc(Br)c(N)c(C(=O)NCc2ccc(O)c(O)c2)c1	1566359906	RGEVWAOZSSVBDE-UHFFFAOYSA-N	367.199	2.381	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(c2cc(O)ncn2)C1	1638865350	NWYZADFTPWQWSC-HNNXBMFYSA-N	371.441	2.088	10	10	FECE	
CN(CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)Cc1ncc[nH]1	1645163828	ZMCXUTYOXVFEJM-UHFFFAOYSA-N	374.400	2.256	10	10	FECE	
COC[C@@H](CC(=O)N(C)Cc1ccccc1O)NC(=O)OC(C)(C)C	1964874916	XELOZZMSKOSUSN-CQSZACIVSA-N	352.431	2.280	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1nccs1)C(=O)NCCCN=[N+]=[N-]	1964880623	RTBJXWQUUADPFU-JTQLQIEISA-N	354.436	2.396	10	10	FECE	
CCOc1cccc(CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)c1O	2126903636	WAKNFNODOZYCQP-LSDHHAIUSA-N	366.458	2.251	10	10	FECE	
CCOC(=O)OCCOc1cc(O)c2c(c1N)C(=O)c1ccccc1C2=O	5139803	GLVDLLVMSDGVDA-UHFFFAOYSA-N	371.345	2.302	10	10	FECE	
Cc1sc(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c(C(N)=O)c1C	1859479086	SDVOTRZSEOSXQJ-UHFFFAOYSA-N	373.387	2.312	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CSCN2)N2CCCCC2)cc1	1866108823	NSBQBMZMZOJPQG-ZWKOTPCHSA-N	362.543	2.058	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1cnoc1	2136257880	DAQQZDJGQIDACM-LBPRGKRZSA-N	363.370	2.160	10	10	FECE	
CN1CCc2cc([C@H](O)c3cn(CCNC(=O)OC(C)(C)C)cn3)ccc21	2163063431	QQBFQORGSVVWMH-SFHVURJKSA-N	372.469	2.482	10	10	FECE	
CC[C@@H](CNC(=O)CCOc1ccc(N)cc1)NC(=O)OC(C)(C)C	2044203769	COJJWSUEWOYVNW-AWEZNQCLSA-N	351.447	2.457	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@@H](F)CN1C(=O)c1ccc(O)c(O)c1	2054411528	ZQSVHTHHWROUSR-VXGBXAGGSA-N	354.378	2.175	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](O)C[C@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060638005	QUWCLNFBSVJHCP-AVGNSLFASA-N	353.423	2.048	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)N2CCC[C@H](N=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060611347	RWTPECYGXDWXKT-YNEHKIRRSA-N	353.423	2.312	10	10	FECE	
Cc1ccc(CNC[C@@H]2C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1	2084071503	FSCDCPBJEAICFB-LXZKKBNFSA-N	350.459	2.454	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCCN(CC(=O)Nc2ccc(N)cc2)C1	2106759378	GLUUUJGTRIPDOY-AWEZNQCLSA-N	362.474	2.444	10	10	FECE	
CN1CCCc2cc([C@H](N)C3(O)CC(NC(=O)OC(C)(C)C)C3)ccc21	2106948886	VQXDBHDLZVWVGL-CMVHYPBASA-N	361.486	2.487	10	10	FECE	
Cc1ccc(S(=O)(=O)NC2=NC(=O)C(=Cc3ccncc3)S2)cc1	2297341587	UTAVTBMELNVCTM-UHFFFAOYSA-N	359.432	2.339	10	10	FECE	
CCn1nccc1C=CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	2303557117	KGCRNAJMSLYKBW-UHFFFAOYSA-N	358.417	2.208	10	10	FECE	
O=C(NCc1ccco1)[C@H]1CCCN1C(=O)C=Cc1ccc(O)c(O)c1	2307986603	LBYMMQIPRCSLHC-OAHLLOKOSA-N	356.378	2.011	10	10	FECE	
c1cnc(N2CCN(N=Nc3ccc(N4CCOCC4)cc3)CC2)nc1	2330245667	SGRYJGDKFLWVDM-UHFFFAOYSA-N	353.430	2.134	10	10	FECE	
O=C(Cn1ncc2ccccc21)NCc1ccc(N2CCOCC2)c(F)c1	107118333	ZILYFUQXSIXLKF-UHFFFAOYSA-N	368.412	2.328	10	10	FECE	
CN1CCN(c2cc(C(=O)N(C)Cc3ccc(N(C)C)cc3)ccn2)CC1	68511035	HLWDYOUVSXCELA-UHFFFAOYSA-N	367.497	2.172	10	10	FECE	
CCc1n[nH]c(=O)c(CNCc2ccc(N3CCOCC3)cc2)c1CC	178930819	IKEMEHIDOQNFBS-UHFFFAOYSA-N	356.470	2.021	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)N1CCCCO1	802270854	OYDNOIYXZPVTCK-UHFFFAOYSA-N	358.486	2.456	10	10	FECE	
CN1CCc2cc([C@H](N)[C@]3(O)C[C@H]4[C@@H]3CCN4C(=O)OC(C)(C)C)ccc21	2163141585	WACONZKNFSVWQO-DBSRCYSRSA-N	373.497	2.439	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)c3ccc4nnn(C)c4c3)C2)cc1	819586658	AQOARIUJGAXQSO-AWEZNQCLSA-N	365.437	2.233	10	10	FECE	
Cc1cc(O)c(CNC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1Cl	825325162	BQEOZUPRUYZJSD-SJCJKPOMSA-N	351.834	2.164	10	10	FECE	
COCCN(CC(=O)N(C)C)C(=O)Cc1cc(C)n(-c2ccccc2)c1C	827526343	KPBUBUJYCUDYQZ-UHFFFAOYSA-N	371.481	2.200	10	10	FECE	
COc1ccc([C@]2(C(=O)NCc3ccc(OC)cc3O)C[C@H](O)C2)cc1	907927621	ZQHHQOMUMZHRBM-SGNKCFNYSA-N	357.406	2.118	10	10	FECE	
C[C@@H](NC(=O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F)c1ccccc1O	913763581	KPCOPSJLMSFRIF-XQAQDONZSA-N	369.339	2.380	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C1CC1)[C@H]1CCCCO1	848938753	QIICRUZOEVCEHD-RTBURBONSA-N	373.497	2.175	10	10	FECE	
C[C@@H](NC(=O)N1CCC([C@H]2COC(=O)N2)CC1)c1ccc(N(C)C)cc1	922056380	ZIVNRCBWDUNUFN-CXAGYDPISA-N	360.458	2.344	10	10	FECE	
CC[C@@H](CN1CCOCC1)NC(=O)c1cc2cc(O)c(O)cc2s1	928647126	FEQUSLNGAASSSL-LBPRGKRZSA-N	350.440	2.153	10	10	FECE	
Cc1ccc(/C=C\C(=O)N2CCOc3ccc(S(C)(=O)=O)cc32)cn1	754370102	VOWKDYNSTGBESG-YVMONPNESA-N	358.419	2.232	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(CCO)Cc3ccccc3)C2)cc1	854302500	LNXWKEGZLORAQT-SFHVURJKSA-N	369.465	2.478	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cn4c(n3)CC[C@@H](C)C4)C2)cc1	857964826	YMLCXQSECUJQDS-CABCVRRESA-N	354.454	2.483	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1	852916450	JDLUREMYXVHOKH-VDGAXYAQSA-N	357.498	2.185	10	10	FECE	
Cc1ccncc1CCNC(=O)NCc1ccc(N2CCOCC2)cc1	852005676	YHPOGZUTLHESPU-UHFFFAOYSA-N	354.454	2.269	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NCc2c(O)cccc2F)C1	928708497	MWTQIGLMEXJDEX-LBPRGKRZSA-N	350.390	2.405	10	10	FECE	
CCOP(=O)(OCC)[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1	851714721	USDQFPUCOPOUTP-QGZVFWFLSA-N	372.402	2.402	10	10	FECE	
CCOC(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)nc1	855227306	VAAYGVAPFYLOFC-OAHLLOKOSA-N	369.421	2.276	10	10	FECE	
C[C@@H]1O[C@H](C)C[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	866213403	QOXYMAZATZJISC-WWGRRREGSA-N	350.434	2.217	10	10	FECE	
COc1cc(OC)c(CNC(=O)/C=C\c2ccc(O)c(O)c2)c(OC)c1	779499477	HTZGTMDCDXOBDE-ALCCZGGFSA-N	359.378	2.453	10	10	FECE	
C[C@@H](NC(=O)[C@H]1C[C@@](O)(CNC(=O)OC(C)(C)C)C1)c1ccccc1O	1877567905	PTLDTZMXFBVJDC-VLXJIEOASA-N	364.442	2.235	10	10	FECE	
COc1cc(C(=O)NCc2cc(O)ccc2O)cc(NC(C)=O)c1OC	1303225658	MEVJNGKOEDVHOP-UHFFFAOYSA-N	360.366	2.003	10	10	FECE	
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1	1330414932	KKURLSYEFRSOFY-ZDUSSCGKSA-N	354.406	2.030	10	10	FECE	
C[C@@H](NC(=O)C(=O)N[C@H]1CC[C@H]2CC[C@H]1OC2)c1ccc(N(C)C)cc1	1335883427	GQJCRPMFRYTPAO-IDCJVQTKSA-N	359.470	2.004	10	10	FECE	
CC(C)O[C@]1(CNCc2ccc(N3CCN(C)CC3)c(F)c2)CCOC1	1350898072	BOJKJINCHFBXIY-FQEVSTJZSA-N	365.493	2.251	10	10	FECE	
C[C@@H]1CN(C(=O)C2CC2)C[C@H]1CCNC(=O)c1ccc(N=NC(N)=O)cc1	1522002977	AIGLTEAPDQBRCH-IUODEOHRSA-N	371.441	2.473	10	10	FECE	
COc1ccc([C@@H]2CN(C(=O)Cc3ccc(O)c(O)c3)CCO2)cc1OC	1472379264	HDPGOSSJACCSNG-IBGZPJMESA-N	373.405	2.258	10	10	FECE	
CCOC(=O)c1cnc(NC(=O)c2cc3cc(O)c(O)cc3s2)n1C	1472557448	NKPAVUPDHPHMLI-UHFFFAOYSA-N	361.379	2.475	10	10	FECE	
CCOCCCNC(=O)c1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1	1625999907	GUXSUBNVWOPJJJ-UHFFFAOYSA-N	372.421	2.435	10	10	FECE	
O=C(Cc1cc(F)ccc1O)NCc1ccc(N2CCOCC2)c(F)c1	1630550828	WBTNWHBTQVRQLT-UHFFFAOYSA-N	362.376	2.366	10	10	FECE	
COCCN(C)c1nnc(C)n1Cc1ccc(N2CCSCC2)cc1	1730717508	JUTIYNFTIQNMEC-UHFFFAOYSA-N	361.515	2.271	10	10	FECE	
CC(C)(C)OC(=O)NC1CN(CC(=O)N2CCCC[C@@H](CN=[N+]=[N-])C2)C1	2124502579	ALPSVWJWDXILJY-ZDUSSCGKSA-N	366.466	2.134	10	10	FECE	
CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	1585403410	HQGKCOMKNFIMDZ-ZOCIIQOWSA-N	363.477	2.255	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)NC(C)(C)CN3CCCC3)cc2)CC1	1675580546	PXPVJVLHEJDYOZ-UHFFFAOYSA-N	373.545	2.112	10	10	FECE	
CCn1nc(C)c(-c2cc(C(=O)NCCc3ccc(O)c(O)c3)n[nH]2)c1C	1860196619	FGQRGWGTHURJCN-UHFFFAOYSA-N	369.425	2.294	10	10	FECE	
CN(C)c1ccc([C@@H](NC(=O)CC(=O)C(F)(F)F)c2nccn2C)cc1	1866058105	BBYRXVALPRUFJI-OAHLLOKOSA-N	368.359	2.213	10	10	FECE	
Nc1ccc(CN2CCC(NC(=O)c3ccc4c(c3)OCO4)CC2)cc1	586048330	VBZQRJOCNLXRJI-UHFFFAOYSA-N	353.422	2.392	10	10	FECE	
CN1CCc2cc([C@H](N)[C@@]3(O)CN(C(=O)OC(C)(C)C)C3(C)C)ccc21	2132342290	BUGNBWYEOMTUTM-JXFKEZNVSA-N	361.486	2.439	10	10	FECE	
Nc1ccc(-n2nnc(C(=O)Nc3ccc(N4CCCCC4)cc3)n2)cc1	1857878568	HQIXXCSSFXVMPD-UHFFFAOYSA-N	363.425	2.487	10	10	FECE	
COCCN(CCNCc1c(O)cccc1OC)C(=O)OC(C)(C)C	2042569881	MLEUMLYASWBVGQ-UHFFFAOYSA-N	354.447	2.374	10	10	FECE	
C[C@H]1CN(C(=O)c2ccc(O)c(O)c2)CC[C@H]1NC(=O)OC(C)(C)C	2054413174	LJARPGPRSXIDGJ-WCQYABFASA-N	350.415	2.473	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(=O)NCC2(CN=[N+]=[N-])CC2)CO1	2060610315	GJPWWWGXMKQKFH-NWDGAFQWSA-N	353.423	2.123	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](CC(=O)N2CC[C@@H](N=[N+]=[N-])C2)C1	2067632991	CHYWTVQUHJHZCV-JHJVBQTASA-N	353.423	2.360	10	10	FECE	
CSc1ncc(CNS(=O)(=O)c2c(C)csc2CO)s1	2284496413	GKWMFLKFNSKQAL-UHFFFAOYSA-N	350.512	2.206	10	10	FECE	
Cc1ccc([C@](C)(O)CNC(=O)C=Cc2ccc(N3CCOCC3)cc2)o1	2297824789	CZPSEIMDXMHNIF-OAQYLSRUSA-N	370.449	2.462	10	10	FECE	
CN(C)CCN(Cc1cccc(O)c1)C(=O)C=Cc1ccc(O)c(O)c1	2308002131	YODQOIZQABKGEH-UHFFFAOYSA-N	356.422	2.407	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)N(C)C3CCC3)CC2)cc1	173536037	BUOXEEFEQFYODC-UHFFFAOYSA-N	360.502	2.401	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](c3nccs3)C3CC3)nc12	185390634	NEVRRZFGOXOONG-CQSZACIVSA-N	373.438	2.309	10	10	FECE	
CC(=O)N(C(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O)c1ccc(N)cc1	242455929	BPGLYCLYPHVRRK-UHFFFAOYSA-N	365.389	2.467	10	10	FECE	
Cc1cccc2c1N(C(=O)C1=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1)CCN2	2381024196	URSWEEGUXUAIAR-CVEARBPZSA-N	373.453	2.338	10	10	FECE	
CCO[C@@H]1C[C@@H](NC(=O)NCc2cc(Br)ccc2O)[C@@H]1OC	805311833	ZUTYHOIYGIYTPR-BNOWGMLFSA-N	373.247	2.146	10	10	FECE	
CN1CCC[C@@H](CNC(=O)NCc2cc(Br)ccc2O)C1	805183774	JZTLIGIRRGKJCG-NSHDSACASA-N	356.264	2.296	10	10	FECE	
C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccn(-c2ccc(N)cc2)n1	2162526596	RAJPKWFDZCFETD-ZDUSSCGKSA-N	373.457	2.345	10	10	FECE	
CC(C)NC(=O)[C@@H]1CCCN(Cc2ccc(N3CCN(C)CC3)cc2)C1	827680907	RCGZUNAFZLWULF-LJQANCHMSA-N	358.530	2.175	10	10	FECE	
CN1CCN(C)CC(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1	905460135	IVMYREVNTRZEBN-UHFFFAOYSA-N	358.530	2.129	10	10	FECE	
CCOC(=O)c1ccc2c(c1)N(C(=O)/C=C\c1cnn(C)c1C)CCO2	588594125	OTRIKPXKMJQSNU-VURMDHGXSA-N	355.394	2.344	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1	835054577	WJRWZWBJONRRCK-GXOYNTHASA-N	356.470	2.218	10	10	FECE	
COC[C@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1	837815985	BBZXYWOBOIBSTM-SFHVURJKSA-N	361.486	2.481	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)[C@@]23C[C@H]4C[C@H](C(=O)N2)[C@H]3C4)cc1F	845469559	URTFHYNVPKNECI-CJXDPKRBSA-N	359.445	2.203	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC[C@]1(C)C[C@]1(F)Cl	846733820	SDGAXUBEZDMEGJ-QZTJIDSGSA-N	369.868	2.498	10	10	FECE	
Cc1cc(O)c(CN2CCN(CC(=O)N3CCCC3)CC2)c(Cl)c1	840910351	RNBUHRDSRBHLQM-UHFFFAOYSA-N	351.878	2.094	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)CNC(=O)c2ccccc2C)cc1	846446506	NLXQJJXSVLTDAJ-UHFFFAOYSA-N	369.465	2.328	10	10	FECE	
COc1ccc(N2CC[C@H](N3C(=O)N[C@@H](Cc4ccccc4)C3=O)C2)cc1	849357111	JQNFNEDBOHVIDR-HKUYNNGSSA-N	365.433	2.437	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3ccc(Cl)cn3)C2)cc1	850538267	XMCHZJSXMFDBSI-ZDUSSCGKSA-N	374.828	2.077	10	10	FECE	
COc1cc(CCC(=O)NCc2cc(Br)ccc2O)on1	854442242	LJZCKWSCTXPFLI-UHFFFAOYSA-N	355.188	2.400	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3cc(C)cnc3C)C2)cc1	850536427	FREKPAMIONIARE-HNNXBMFYSA-N	368.437	2.041	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cccn(C2CC2)c1=O	868966708	WUFNOFNBVQXPSF-UHFFFAOYSA-N	370.405	2.094	10	10	FECE	
Cn1nccc1-c1ccnc(NCc2ccc(N3CCC(O)CC3)cc2)n1	865952984	WDCYZMHRQJDLDG-UHFFFAOYSA-N	364.453	2.450	10	10	FECE	
C/C=C/C[C@H]1NC(=O)N(Cc2ccc(N3CCN(CC)CC3)c(F)c2)C1=O	761285560	ZMXLNRRBFXONIR-NJELEJDNSA-N	374.460	2.354	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)N1CCC(Cc2nccs2)CC1	1119000706	LJPYZXLKUFLMHT-UHFFFAOYSA-N	373.478	2.288	10	10	FECE	
COc1ccc(N2CCC(Nc3ccnc(N4CCOCC4)n3)CC2)cc1	779428430	IUPUMOAJBBKBDM-UHFFFAOYSA-N	369.469	2.403	10	10	FECE	
Cc1cc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)ncc1C(N)=O	1124622927	MSPTVKXKQKYUID-UHFFFAOYSA-N	352.438	2.361	10	10	FECE	
Cc1cc(CC(=O)N[C@@H](C)[C@@H]2CN(C)CCN2C)c(C)n1-c1ccccc1	896530150	IRJLNNWRPODPCB-UWJYYQICSA-N	368.525	2.387	10	10	FECE	
CC(=O)[C@@H]1C[C@H](C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1(C)C	1132898579	DHARVJOKQGJJJM-RBUKOAKNSA-N	357.498	2.306	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c[nH]nc1-c1cnn(CC)c1	1449115224	BVOAXBBIMLWSON-UHFFFAOYSA-N	360.414	2.414	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)CC1(F)F	2118183288	BNSQTSBQTHODBK-CYBMUJFWSA-N	372.368	2.472	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2124503765	OZMNGGBOIVVLOM-SUMWQHHRSA-N	367.450	2.440	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)c1nc(=NCc2cc(F)cc(F)c2O)[nH][nH]1	2130117722	SPDAEFTTZBESOO-QMMMGPOBSA-N	369.372	2.408	10	10	FECE	
CN1CCN(Cc2ccccc2)[C@H](CNC(=O)Nc2ccc(N)cc2)C1	694875436	ZYJBFHCKTDJLQE-LJQANCHMSA-N	353.470	2.207	10	10	FECE	
CN(CC[S@](C)=O)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2	398993050	PWHUKYKIJJAVSC-VWLOTQADSA-N	367.515	2.377	10	10	FECE	
C[C@H](N)c1ccc(N(CCS(C)(=O)=O)C2CC2)c(Br)c1	2170164169	RMTFVTWACUKIGI-JTQLQIEISA-N	361.305	2.482	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1[C@H](CN)c1ccc(N(C)C)cc1	2194859388	JEEBUDAYZSKADO-XNRPHZJLSA-N	372.435	2.284	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CO1	2060610056	CSEKHLMVFLYJAR-XQQFMLRXSA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060638010	QUWCLNFBSVJHCP-XQQFMLRXSA-N	353.423	2.048	10	10	FECE	
CCCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)N(C)CCN=[N+]=[N-]	2060610762	LEJJCIDKPFGARC-CHWSQXEVSA-N	355.439	2.417	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COC[C@@]1(C)C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060633820	RUESYGCSIFROLH-MQIPJXDCSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])O1	2060633535	OTHLUGVSIDBBAL-UPJWGTAASA-N	353.423	2.360	10	10	FECE	
Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)nc1NCCc1ccccc1	36559176	SBPGWPDYCRGVBE-BZUAXINKSA-N	370.413	2.165	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](NCc2cccc(O)c2O)C[C@@]12CCOC2	2098976740	RNHNBVMHGQRNCS-IFXJQAMLSA-N	364.442	2.356	10	10	FECE	
CC(C)(C)OC(=O)N[C@](C)(C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-])C(C)(C)O	2218746633	RHDVJMKUMPALHH-LYOVBCGYSA-N	355.439	2.388	10	10	FECE	
Oc1cccc2c1[C@H](NCCn1cnc(I)c1)CC2	2228809523	BRKLESYXHNTSSG-LLVKDONJSA-N	369.206	2.470	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)OC1	2253765541	ICYHEKUNHGJIHQ-CHWSQXEVSA-N	355.439	2.465	10	10	FECE	
CN1CCCc2cc([C@@H](N)[C@@](O)(CF)CNC(=O)OC(C)(C)C)ccc21	2265067353	YFRCKEOAWSDPBZ-VQIMIIECSA-N	367.465	2.294	10	10	FECE	
O=C1NC(=O)N(C2CCCCCC2)C(=O)C1=CNc1ccccc1C(=O)O	2296940686	ABYCPPFHVSVRAI-UHFFFAOYSA-N	371.393	2.482	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C(=O)C(=O)C[C@H]3C[C@H](N)C3)C[C@H]2C1	2309419490	OSHDOFXVORJWKV-SZQRGFMASA-N	350.459	2.145	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@H]1CCOCC[C@@H]1NC(=O)OC(C)(C)C	2315988037	DBMZLVKDXXWRNW-STQMWFEESA-N	355.439	2.465	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2CCn1cnc2ccsc2c1=O	130463371	PXDOBIVWJJVIBN-UHFFFAOYSA-N	356.451	2.423	10	10	FECE	
CCc1n[nH]c([C@H]2CN(Cc3cc(Cl)cc(OC)c3O)CCO2)n1	184670739	RCZRBEZSKWBFPH-CYBMUJFWSA-N	352.822	2.308	10	10	FECE	
COc1ccc(N2CCCN(C(=O)/C=C\c3cnn(C)c3C)CC2)cc1	254973641	CPNOEQPRAPWASV-YHYXMXQVSA-N	354.454	2.489	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NCc1cc(F)cc(F)c1O	708518030	YNPJRASZXOTLRJ-KBPBESRZSA-N	358.385	2.394	10	10	FECE	
O=C(Nc1ccc(F)c(N2CCCS2(=O)=O)c1)c1cc(O)cs1	732291040	NLOMBAFKUUEZCC-UHFFFAOYSA-N	356.400	2.385	10	10	FECE	
COc1cc(NC(=O)C(=O)N(C)Cc2ccccc2O)c(C)c(OC)c1	800598883	BRRYPKQTHQAOCT-UHFFFAOYSA-N	358.394	2.315	10	10	FECE	
CC(=O)N1CCC(C(=O)NCc2cc(Br)ccc2O)CC1	804737027	AQEYBPHCIODDCM-UHFFFAOYSA-N	355.232	2.029	10	10	FECE	
O=C(CNC(=O)c1ccccn1)NCc1cc(Cl)cc(Cl)c1O	807836575	GFEXNXTVJWYPTR-UHFFFAOYSA-N	354.193	2.140	10	10	FECE	
C[C@H]1[C@@H](C)O[C@H](C)CN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1	823537041	KSCWJFVKFWCJCK-OWCLPIDISA-N	361.486	2.355	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc(N4CCC4)nc3)CC2)cc1F	826969819	BWDYOVKNRONELN-UHFFFAOYSA-N	370.428	2.402	10	10	FECE	
O=S(=O)(CCC[C@@H]1CCOC1)NCCCSc1nccs1	827149719	SYJLHVBAKHZCPU-GFCCVEGCSA-N	350.531	2.361	10	10	FECE	
COC[C@](C)(NC(=O)Cc1cc(C)n(-c2ccccc2)c1C)C(=O)OC	829977174	VVKTYLHTGVBPPS-FQEVSTJZSA-N	358.438	2.331	10	10	FECE	
CC(=O)N[C@@H](CC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)c1ccccc1	832292929	NKJDLUMSQZLOCX-UXHICEINSA-N	368.481	2.136	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)c1	842883749	NOSNZGHEJTVILN-TZMCWYRMSA-N	363.435	2.286	10	10	FECE	
CC1(C)[C@H]2CCCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)[C@H]1C2	846565087	NZJWLCLRZITDNR-NHYWBVRUSA-N	352.456	2.414	10	10	FECE	
CN1CC[C@H](C(=O)NCc2cc(Cl)ccc2O)[C@H](c2cnn(C)c2)C1	849605801	JXJAJWWGDZHYTB-HOTGVXAUSA-N	362.861	2.131	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)c3cccc(F)c3)C2)cc1	852456690	ZYSKBCQELCWVHZ-QFBILLFUSA-N	373.428	2.446	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C[C@H]1CCC2(CNC2)O1	852746514	MIZKQGYOWQVFRL-CQSZACIVSA-N	355.276	2.498	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N(C)[C@@H]3CCN(C(C)C)C3)C2)cc1	854297230	KYDYMSZPAOKZRB-SJLPKXTDSA-N	360.502	2.398	10	10	FECE	
C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CN(C)C(=O)N3)cc2Cl)C1	854344681	QFPWLWRBJMBOIK-WFASDCNBSA-N	364.877	2.216	10	10	FECE	
CN(Cc1ccccc1O)C(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21	856939097	UDZOPTZDCRZPFF-INIZCTEOSA-N	360.435	2.203	10	10	FECE	
CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)NCc1ccccc1O	859001851	CPTFXJSOIUOZFT-INIZCTEOSA-N	353.415	2.208	10	10	FECE	
COc1cnc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(F)c1	864931897	PHJQZMODPWYKAV-UHFFFAOYSA-N	363.364	2.135	10	10	FECE	
CCOC(=O)[C@@]1(C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCO1	899172511	AKLCOKONGCFEHB-QGZVFWFLSA-N	365.407	2.107	10	10	FECE	
C[C@H](NCC[C@H]1CNCCS1(=O)=O)c1ccc(Cl)c(Cl)c1O	925790215	ACMLHNMRYNIDBX-UWVGGRQHSA-N	367.298	2.126	10	10	FECE	
COc1ccc(OC)c(C2=NO[C@H](C(=O)NCc3c(O)cccc3F)C2)c1	928708298	JSFAOEWJAYICFZ-SFHVURJKSA-N	374.368	2.358	10	10	FECE	
Cc1nc(-c2ccn(C)n2)sc1CC(=O)NCc1ccc(O)c(O)c1	1137443416	OOAMDXKDZGNKKW-UHFFFAOYSA-N	358.423	2.122	10	10	FECE	
O=C(O)[C@H](C[C@H]1CCOC1)NCc1cc(Br)cc(F)c1O	1262163535	WRXIGOSFZOGYAX-PELKAZGASA-N	362.195	2.263	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@@]2(CCCOC2)C1	1327096850	YJCGUILHAHDSSQ-NRFANRHFSA-N	373.497	2.130	10	10	FECE	
C[C@@]1(CCNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC1(F)F	1330501442	YUBANPUHBJQJOS-GOSISDBHSA-N	363.408	2.231	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@H]2CCCC(=O)N2)n1CC1CC1	1347766159	HKYRKXIRMODRNT-OAHLLOKOSA-N	355.442	2.371	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](CC)CC(F)F	1348038566	OKWPGBKHMIGABU-RYUDHWBXSA-N	359.369	2.370	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNc3cccnc3[N+](=O)[O-])cc2)CC1	1458622638	ZYFBVUJJHMFTNF-UHFFFAOYSA-N	355.398	2.304	10	10	FECE	
Cn1ccnc1[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1	1463885576	JVMWJHFOYWFAOU-SFHVURJKSA-N	355.369	2.419	10	10	FECE	
Cc1cc(Cn2c(-c3sccc3O)nnc2N2C[C@@H]3CC[C@H](C2)O3)no1	1528333669	TTXLGGCYRLRMRH-BETUJISGSA-N	373.438	2.425	10	10	FECE	
Cc1c[nH]c(CC(N)=O)c1C(=O)NCc1cc(Cl)cc(Cl)c1O	1556883931	IIRYFCZKHCSZPD-UHFFFAOYSA-N	356.209	2.293	10	10	FECE	
COc1cccc(CNC(=O)N[C@@H](C)c2nc(C(F)(F)F)no2)c1O	1565488326	YDRRJWALAXJXDA-ZETCQYMHSA-N	360.292	2.363	10	10	FECE	
O=C(N[C@@H](c1ccc(Cl)c(F)c1)c1nn[nH]n1)c1cc(O)cs1	1624786020	NOTVCUVISWVJRT-NSHDSACASA-N	353.766	2.279	10	10	FECE	
CCOc1ccccc1N1C[C@@H](C(=O)NCc2c(O)cccc2O)CC1=O	1645360953	QEBHFZHFVIFRDV-ZDUSSCGKSA-N	370.405	2.166	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1	1647178170	KZJWGYXVXUYZTQ-LLVKDONJSA-N	360.797	2.421	10	10	FECE	
COC(=O)c1cc2c(cc1NC(=O)c1cccc(O)c1O)OCCCO2	1648817717	NEGWZDJRUUNDBD-UHFFFAOYSA-N	359.334	2.298	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccc(O)c2O)[C@H](F)C1	1649069106	HUAZHACXUGJYAO-NEPJUHHUSA-N	354.378	2.175	10	10	FECE	
O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccsc2)SC1=S	1858592533	RLCGXWHYDDRQQE-CBVZUMJXSA-N	357.434	2.267	10	10	FECE	
COc1ccc(Cc2nnc(=Nc3ccccc3O)[nH]c2O)cc1OC	1859425338	GVRMNYMSCLSDBK-UHFFFAOYSA-N	354.366	2.056	10	10	FECE	
Cc1ccc(O)c(CNCC(=O)Nc2ccc(N3CCOCC3)cc2)c1	1860720757	RXFHNEWFFNFHNB-UHFFFAOYSA-N	355.438	2.266	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C[C@H](O)C1(C)C	1879108108	ZDYCSNGSEMHDQL-PRXAMGSTSA-N	367.450	2.200	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@](C)(CNCc2ccc(O)c(O)c2)C1	2026839840	YGJTZLRWTFRCTF-GOSISDBHSA-N	352.431	2.213	10	10	FECE	
CCc1cccc(CNCCC2(O)CN(C(=O)OC(C)(C)C)C2)c1O	2027291330	HUUCGXCILFBGPN-UHFFFAOYSA-N	350.459	2.416	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NCc1c(O)cccc1F	2042626489	OFVZKNLHWQTRPQ-YVFQKMDQSA-N	352.406	2.302	10	10	FECE	
C[C@H]1COC[C@H](C(=O)NCC2(CN=[N+]=[N-])CC2)N1C(=O)OC(C)(C)C	2060622043	UVNYAZFVRXKJOY-NWDGAFQWSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2060638902	CEQDLHMVXGJNMK-RWMBFGLXSA-N	353.423	2.075	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@H]2C(NC(=O)OC(C)(C)C)[C@@H]2C1	2107819671	FMGCLRJHZJEIKK-KCPJHIHWSA-N	360.458	2.051	10	10	FECE	
NCc1ccc(N2CCC[C@]23CCS(=O)(=O)C3)cc1Br	2158461113	ASEDUAJZZGNEJX-CQSZACIVSA-N	359.289	2.065	10	10	FECE	
Cc1cccc(C=C2SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)c1	2297478520	UCEWHKKMNHWVOP-JTQLQIEISA-N	351.405	2.124	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@]12CCO[C@@H]1CN(C(=O)OC(C)(C)C)C2	2315991219	VLWVHJRXSDNQLK-WBMJQRKESA-N	353.423	2.171	10	10	FECE	
CCOc1cccc(CNC[C@@H](CNC(=O)OC(C)(C)C)OC)c1O	2317703729	ROMRPLYBPZHUSN-AWEZNQCLSA-N	354.447	2.420	10	10	FECE	
COc1ccc(O)c(CNc2c(I)cnn2C)c1	2328398607	ZQLQKZKHVQUBAN-UHFFFAOYSA-N	359.167	2.351	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1CN(CC(=O)Nc1ccc(N)cc1)C2	2358643578	SDDZPRSHOYKDQN-CKEIUWERSA-N	374.485	2.442	10	10	FECE	
CCOC(=O)[C@]12O[C@@]1(c1ccc(OC)cc1)C(=O)c1ccccc1C2=O	59370378	QFGXRKONTYOFON-PMACEKPBSA-N	352.342	2.302	10	10	FECE	
O=C1/C(=C/N2CCOCC2)SC(=S)N1c1cccc([N+](=O)[O-])c1	59397521	ICTFKOPBRQCUJA-XFXZXTDPSA-N	351.409	2.133	10	10	FECE	
Cn1c(=O)c(C2=NNC(=O)/C2=C/Nc2ccccc2)c(O)c2ccccc21	100261090	SICPSXGLDHGMGF-SDNWHVSQSA-N	360.373	2.074	10	10	FECE	
NC1=NC(=O)/C(=C\c2ccccc2OCC(=O)Nc2ccc(O)cc2)S1	210903160	HKLJWXRFGIWXGW-OQLLNIDSSA-N	369.402	2.339	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCn1c(=O)oc2ccccc21	183455764	WILCCIBXDXRJBS-LBPRGKRZSA-N	356.378	2.143	10	10	FECE	
C[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1NC(=O)OC(C)(C)C	2132402265	CRMPBNPDWRCZHW-PWSUYJOCSA-N	366.414	2.179	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc(O)c(O)c(O)c1	2132404009	OJSCNWSEZCUKAF-PWSUYJOCSA-N	366.414	2.321	10	10	FECE	
COC(=O)[C@H](NCCN=[N+]=[N-])c1ccc(I)cc1	381126735	ZYUGLTMPKWYJGK-SNVBAGLBSA-N	360.155	2.405	10	10	FECE	
CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1	274982675	XPCADTYSRZCMRX-LBPRGKRZSA-N	363.435	2.252	10	10	FECE	
COc1cc(Br)cc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1O	368972680	HHFNGFVFLXDFEA-WFBYXXMGSA-N	369.259	2.249	10	10	FECE	
Cc1cc(-c2nc(C[S@@](C)=O)no2)ccc1NC(=O)C1=S=CC=C1	547165634	YMPLHIVDVVTDEL-XMMPIXPASA-N	361.448	2.140	10	10	FECE	
CN[C@@H]1C(=O)Nc2cc(N3C[C@@H]4CN(Cc5ccccc5)C[C@H]4C3)ccc21	705963429	QMXDVRZIIRLDRV-FIKGOQFSSA-N	362.477	2.467	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3C[C@@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3)nc12	831005381	JWHJVJHCCHLSBB-LROULRCXSA-N	368.437	2.256	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)NCC1(C2(O)CCOCC2)CC1	914180573	RHGAYGCHZQLIEQ-UHFFFAOYSA-N	373.497	2.408	10	10	FECE	
N=C(NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)NC1CCCCC1	849070478	OWSXPBQRMBFWAI-MRXNPFEDSA-N	357.502	2.335	10	10	FECE	
Cc1cc(Br)cc(CN2C[C@@H](C)N(CCO)C[C@@H]2C)c1O	841891828	PSFPVVYRNONGTB-OLZOCXBDSA-N	357.292	2.350	10	10	FECE	
CCN(CC)c1ccc(CN2C(=O)N[C@H]([C@H](O)c3cccnc3)C2=O)cc1	924485928	DDEYWJNNGDHCJV-QZTJIDSGSA-N	368.437	2.082	10	10	FECE	
Fc1cc(CNC[C@@H]2CCC3(CCOCC3)O2)ccc1N1CCOCC1	922807704	DOMTYBUAYAAGLW-KRWDZBQOSA-N	364.461	2.480	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)OCC(=O)N1CCC[C@@H](C(F)(F)F)C1	750556709	WOSRRYZUVHCNLZ-TXNVCOODSA-N	373.327	2.455	10	10	FECE	
CCC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	855230543	DWXNIQYMAWVZIJ-HZPDHXFCSA-N	359.470	2.039	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@H](CN)C3CCCCC3)C2)cc1	851664543	DVXCBKIHMYXTGY-VQIMIIECSA-N	360.502	2.481	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)NCC(C)(C)CS(C)(=O)=O	926739446	SBXGPPLXZIPNIJ-UHFFFAOYSA-N	356.488	2.385	10	10	FECE	
COc1ccccc1[C@H](O)CNCc1ccc(N2CCN(C)CC2)cc1	853092250	SHRAAVGFPZHTGX-HXUWFJFHSA-N	355.482	2.270	10	10	FECE	
COc1ccc(N2CCN(c3nccc(-c4ccnn4C)n3)CC2)cc1	865403362	VVDVCAUSPDKZKA-UHFFFAOYSA-N	350.426	2.212	10	10	FECE	
COc1ccc(O)c([C@@H](C)NCc2ccc(CN3C(=O)CNC3=O)cc2)c1	866522569	XIWRNPLTNGKXJC-CYBMUJFWSA-N	369.421	2.303	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NCc1ccc2cccnc2c1O	862024561	AXJBNAUDGFGDJU-UONOGXRCSA-N	357.410	2.470	10	10	FECE	
CC[S@](C)(=O)=NS(=O)(=O)NCc1cc(Cl)cc(Cl)c1O	867270146	LIYHIORGJRGRQL-IBGZPJMESA-N	361.272	2.151	10	10	FECE	
CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccccc1O	1557967929	AWOYIYQDACNWPM-SMDDNHRTSA-N	366.414	2.026	10	10	FECE	
COC(=O)c1c(CN2CC[C@H](n3cncn3)C2)c2cc(F)ccc2n1C	1119513858	VBZDXJZJOZWMLQ-ZDUSSCGKSA-N	357.389	2.143	10	10	FECE	
COc1cccc(OC)c1S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1	775285842	FQSQUMYXIBZXKQ-UHFFFAOYSA-N	354.340	2.118	10	10	FECE	
O=[N+]([O-])c1cc(NS(=O)(=O)c2c(Cl)nc3sccn23)ccc1O	775286435	RKXAAUVZERASCG-UHFFFAOYSA-N	374.787	2.464	10	10	FECE	
CCN(CC)C(=O)C1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1	774864500	PQJDSVBYQMIQQO-UHFFFAOYSA-N	365.430	2.389	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCN(C[C@H](C)O)C[C@H]2C)c1	793586129	GCJFXPWLOMTDNB-OLZOCXBDSA-N	357.292	2.350	10	10	FECE	
COc1ccc(CNC(=O)CCc2nc3ccccc3oc2=O)c(O)c1	794382669	FKYMENQKTXIIAF-UHFFFAOYSA-N	354.362	2.151	10	10	FECE	
COC(=O)[C@H]1CCN(c2nnc(C)n2CCCSc2nccs2)C1	1299358409	AWFXRMHGKMEAHV-LBPRGKRZSA-N	367.500	2.225	10	10	FECE	
CS(=O)(=O)Nc1ccc(F)cc1C(=O)NCc1cccc(Cl)c1O	1457035621	CDQDZFJZWDJVRU-UHFFFAOYSA-N	372.805	2.486	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cccc4ncnc(O)c34)CC2)cc1	1630081183	HZQZJPSYYFYGBJ-UHFFFAOYSA-N	364.405	2.306	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(CCNCc2ccc(F)cc2O)CC1	1964555162	MLSJODUIFPTCSW-UHFFFAOYSA-N	353.438	2.174	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)N[C@H](CO)CC2CCC2)N(C)C)cc1	1565452482	DXYFXKZUAPCQAG-PKOBYXMFSA-N	362.518	2.206	10	10	FECE	
CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)c1ccccc1O	1642831314	WRSFZMQOAZJUDA-GWCFXTLKSA-N	361.402	2.410	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2COC[C@@]2(C(=O)NCC2(CN=[N+]=[N-])CC2)C1	2124541378	SADSARAWQNPONO-PXAZEXFGSA-N	365.434	2.077	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCNC(=O)[C@H]2c2cccs2)cc1	1587160602	GUWJTUDLJCDPMK-CYBMUJFWSA-N	357.395	2.224	10	10	FECE	
CCc1ccc(/C=C2/SC(=S)N([C@H](C(=O)O)[C@@H](C)O)C2=O)cc1	1858592813	YDCVDAVVJARLBD-SKUMXWNJSA-N	351.449	2.284	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)COc3ccc(N)cc3)C[C@H]21	2132357325	QFWGZZQHOHLULT-XJKSGUPXSA-N	361.442	2.115	10	10	FECE	
C[C@H](N[C@@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1)c1ccc(O)cc1O	1918666902	BDMUTYKACHZDMQ-RYUDHWBXSA-N	352.431	2.119	10	10	FECE	
CCOC1(C(=O)NCc2ccccc2O)CN(C(=O)OC(C)(C)C)C1	1969153721	CEJPRHFMPBXOBS-UHFFFAOYSA-N	350.415	2.034	10	10	FECE	
O=C(N[C@@H]1CN(Cc2ccccc2)[C@@]2(CCOC2)C1)c1cccc(O)c1O	2154517539	KOYFUFJZNWHYFV-KKSFZXQISA-N	368.433	2.261	10	10	FECE	
CC[C@H](NCC1(C(N)=O)CN(C(=O)OC(C)(C)C)C1)c1ccccc1O	2102952788	UTHKUJWYPLOTDM-AWEZNQCLSA-N	363.458	2.155	10	10	FECE	
C[C@H]1COC[C@@H](C(=O)NCC2(CN=[N+]=[N-])CC2)N1C(=O)OC(C)(C)C	2060622044	UVNYAZFVRXKJOY-RYUDHWBXSA-N	353.423	2.218	10	10	FECE	
COC(=O)[C@H](CCN[C@H](C)c1cc(O)ccc1O)NC(=O)OC(C)(C)C	2088543154	PFEZQAVMUXTVBZ-RISCZKNCSA-N	368.430	2.205	10	10	FECE	
CON(C(=O)CCOc1ccc(N)cc1)C1CN(C(=O)OC(C)(C)C)C1	2112945957	RHBHCYJOKLYJJF-UHFFFAOYSA-N	365.430	2.047	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2218738502	PQYZCAAHIOQGKY-VOAKCMCISA-N	353.423	2.358	10	10	FECE	
CC(NCc1ccc(N(C)C)cc1)=C1C(=O)NC(=S)N(CC(C)C)C1=O	2296620107	ZRUXRGRPQNWTRY-UHFFFAOYSA-N	374.510	2.016	10	10	FECE	
Cc1cccc(C=C2SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)c1	2297478521	UCEWHKKMNHWVOP-SNVBAGLBSA-N	351.405	2.124	10	10	FECE	
CN(Cc1ccccc1O)[C@@](CF)(CNC(=O)OC(C)(C)C)C(=O)O	2326338706	UKFAFMYLGCSGGJ-KRWDZBQOSA-N	356.394	2.142	10	10	FECE	
CN1CCCc2cc(CNC(=O)NCC(=O)NC3CCCCC3)ccc21	102009958	WFSDUJYCEBGTQW-UHFFFAOYSA-N	358.486	2.317	10	10	FECE	
CN1CCc2cc(CNCc3cnc(N4CCOCC4)c(F)c3)ccc21	185078773	GEUXGNAXLFXPDM-UHFFFAOYSA-N	356.445	2.339	10	10	FECE	
C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(O)c(O)c(O)c1	2132413814	QJLSZHFVUKDXFP-NSHDSACASA-N	366.414	2.275	10	10	FECE	
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(O)cc1C	326792963	AJVMSEZWWJEQJM-UHFFFAOYSA-N	366.351	2.196	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC(N(C)C(C)=O)CC2)c([N+](=O)[O-])c1	142674463	XITHGOKMRIHCFC-FNORWQNLSA-N	361.398	2.228	10	10	FECE	
NS(=O)(=O)c1cccnc1N1CC=C(c2ccc(Cl)nc2)CC1	378400977	JUABCQHPMDGVFF-UHFFFAOYSA-N	350.831	2.071	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1cnc(S)[nH]1	800695204	JTPCBLSYQVGNLE-UHFFFAOYSA-N	371.510	2.160	10	10	FECE	
COc1ccc(N2CCN(CCNc3nnc(C(F)F)o3)CC2)cc1	292432048	GQXHNCOCGKDLEQ-UHFFFAOYSA-N	353.373	2.250	10	10	FECE	
CO[C@@H]1COCC[C@@H]1CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	294755297	ATYWYISWXPLJRD-HHXXYDBFSA-N	363.454	2.341	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@@H](NC(=O)OC(C)(C)C)c3cn(C)nn3)ccc21	2166701788	JOARHZIWGJXDKE-SJORKVTESA-N	372.473	2.073	10	10	FECE	
O=C(COc1ccccc1NC[C@@H](O)CC1CCCC1)N1CCOCC1	819455293	OSCRRZNCDIYTAQ-KRWDZBQOSA-N	362.470	2.277	10	10	FECE	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H]2CCNC(=O)CC2)cc1	815152995	DRUNMYUVXLCGBC-PKOBYXMFSA-N	373.497	2.177	10	10	FECE	
C[C@@]1(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C[C@@H]2C[C@@H]2C1	815074333	PDEWRASGVDJTNU-VWXURSGXSA-N	355.482	2.441	10	10	FECE	
COc1ccc(N2CCN(c3nc(N)nc4c3CCCC4)CC2)cc1F	825821392	UGDQKIDSMZRAQB-UHFFFAOYSA-N	357.433	2.412	10	10	FECE	
CN(C)c1ccc(CN(C(=O)NCCCc2ncn(C)n2)C2CC2)cc1	827707100	BWFSCPQLHADUDY-UHFFFAOYSA-N	356.474	2.188	10	10	FECE	
CCO[C@@H]1C[C@H](NC(=O)N[C@@H](C)c2cc(OC)ccc2O)[C@@H]1n1cccn1	836496417	QQIQKPZYXUCLQC-HZCDGDGTSA-N	374.441	2.376	10	10	FECE	
CN(C)c1ccc(CNC(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)cc1	836222532	LZPJNVGXSXOSJX-HNNXBMFYSA-N	373.478	2.123	10	10	FECE	
Cc1cc(CC(=O)N2CC[C@@]3(CNC(=O)C3)C2)c(C)n1-c1ccccc1	834713132	DVMFTYQWTKHOAY-OAQYLSRUSA-N	351.450	2.375	10	10	FECE	
Cc1cc(C(=O)CN2CCOC[C@@H](O)C2)c(C)n1-c1ccc(Cl)cn1	830638820	UFVNLMDCWJEARH-HNNXBMFYSA-N	363.845	2.018	10	10	FECE	
CN(C)c1ccc(/C=C/CNC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1	835054024	QWYWJHJAYFBPHH-XZJTZLQGSA-N	365.543	2.463	10	10	FECE	
CN1CCN(c2cc(C(=O)NCc3cc(Cl)ccc3O)ccn2)CC1	846472923	NXDGXBFMMAJSJY-UHFFFAOYSA-N	360.845	2.122	10	10	FECE	
C[C@H](NC(=O)N[C@](C)(CCF)C(=O)O)c1ccc(N2CCOCC2)cc1	849236230	DKOAPAIVBZDNHJ-SCLBCKFNSA-N	367.421	2.086	10	10	FECE	
CC[C@H](NC(=O)C(=O)NCCCSc1nccs1)[C@H]1CCCCO1	848934408	BGNZQYAOAWETBB-QWHCGFSZSA-N	371.528	2.205	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCCc3c(C)noc3C)C2)cc1	852077135	ZPHOBAGKWQOSLI-HNNXBMFYSA-N	358.442	2.421	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc4c(c3)OCC(=O)N4)C2)cc1	855229084	JZRANHDESYWMPR-CQSZACIVSA-N	367.405	2.035	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CC[C@@H](n3cncn3)C2)c1O	776779198	ZYCCNTGVHRALJB-CQSZACIVSA-N	352.394	2.371	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CC(=O)NCc1cc(O)ccc1O)C(F)F	1303227623	NCPCCRVKBFXRNL-NSHDSACASA-N	360.357	2.263	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC(Cc2ccco2)C1	1329890995	FYTAWVSCYRAQFF-UHFFFAOYSA-N	355.438	2.005	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)N1CCC(c2ccccn2)CC1	1328350312	HGUWEVIMVHHVOX-UHFFFAOYSA-N	353.422	2.152	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1CN([C@H]2CCOC2)C1	1338290507	WIYDXTZQAGRKQZ-FQEVSTJZSA-N	357.498	2.356	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3C[C@H]4CCC[C@H]43)CC2)cc1	1334615047	LDAIEMYAPXFMIZ-NIKGAXFTSA-N	371.481	2.085	10	10	FECE	
CC(C)C[C@@H](O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1256237200	UCYCTGXIYXJNCY-QZTJIDSGSA-N	350.507	2.062	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)Cc3ccccc3)cc2)CC1	1331570187	UWSLZLLCVJEUCV-UHFFFAOYSA-N	351.450	2.247	10	10	FECE	
CC(C)NC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	1347239519	XRJVJNKXMFDVGY-OAHLLOKOSA-N	364.465	2.338	10	10	FECE	
COc1ccc(CN[C@@H]2CC[C@H](CNC(=O)[C@H](C)n3cncn3)C2)cc1C	1488907848	OIFDUKUYRKDBPC-RYQLBKOJSA-N	371.485	2.231	10	10	FECE	
Cn1cc([C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C2(CO)CCC2)cn1	1624823343	IGBPXHPWNJWXSQ-OAHLLOKOSA-N	370.413	2.216	10	10	FECE	
COC(=O)CCN(Cc1ccncc1)C(=O)c1ccc(N=NC(N)=O)cc1	1630343343	DQGJTHKERYSDIV-UHFFFAOYSA-N	369.381	2.450	10	10	FECE	
Cc1nnc(Nc2ccn(C)n2)n1Cc1ccc(N2CCOCC2)c(F)c1	1726417932	JTNIEVVHFSXDHY-UHFFFAOYSA-N	371.420	2.088	10	10	FECE	
COc1cccc(CNC(=O)CCn2sc3ccccc3c2=O)c1O	1636060975	AINNJNOPLJGFGR-UHFFFAOYSA-N	358.419	2.484	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C(=O)NCc2ccccc2O)C1	1964888514	FSWDTQWXACWLER-ZFWWWQNUSA-N	350.415	2.081	10	10	FECE	
CC(C)(C)OC(=O)NCCN(Cc1cc(N)ccc1O)C1CCOCC1	2130096363	FPEJOGFLAMFTLD-UHFFFAOYSA-N	365.474	2.480	10	10	FECE	
O=C(c1ccc(O)c(O)c1)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1	2185521882	LQMVIZQXTGWXCC-PXNSSMCTSA-N	368.433	2.213	10	10	FECE	
CC(C)(C)OC(=O)NC1CC(O)(CNCc2ccc(F)c(F)c2O)C1	2045142704	RUSIZIURNSEEHA-UHFFFAOYSA-N	358.385	2.178	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ncns1)C(=O)NCCCCN=[N+]=[N-]	2060640264	SAUBBQVYMLYSPL-SNVBAGLBSA-N	369.451	2.181	10	10	FECE	
Cc1cccc(CNC(=O)[C@H]2CC[C@@H](C(=O)O)N2Cc2ccccc2)c1O	2204611379	VGVLWDNYFUXDKU-MSOLQXFVSA-N	368.433	2.435	10	10	FECE	
CN(C)c1ccc([C@@H](O)C2CN(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1	2269075283	VMAICPRIAOPOIZ-GOSISDBHSA-N	361.486	2.337	10	10	FECE	
CCCS(=O)(=O)CCNCc1ccc(C)c(Br)c1O	2352677934	DKULMWIEBWHGCE-UHFFFAOYSA-N	350.278	2.378	10	10	FECE	
Cc1sc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C(N)=O)c1C	59465785	NVZSBYCHFRSMFI-UHFFFAOYSA-N	355.397	2.173	10	10	FECE	
CCc1nccn1[C@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1	106215737	BOUVBOQBZKOAAH-IBGZPJMESA-N	369.513	2.465	10	10	FECE	
Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(N2CC=CC2)cc1	175807399	MXYUOYZHMOHXEV-QGZVFWFLSA-N	352.442	2.297	10	10	FECE	
COc1ccc(O)c(CN2CCc3c(cccc3NS(C)(=O)=O)C2)c1	179798932	YJDFNEIFKLSRMY-UHFFFAOYSA-N	362.451	2.331	10	10	FECE	
CCOc1cc(/C=C2/SC(N3CCN(CC)CC3)=NC2=O)ccc1O	33728887	KRYUCQDBHHMQBU-FOWTUZBSSA-N	361.467	2.399	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCS(=O)(=O)[C@@H](C)C2)cc1F	126206936	HXFJQUDYAVMWIM-ZDUSSCGKSA-N	371.478	2.000	10	10	FECE	
CCCN(c1ccc(CO)c(Br)c1)[C@H]1CCS(=O)(=O)C1	2201895823	MWCUFBJMLIMYFU-ZDUSSCGKSA-N	362.289	2.345	10	10	FECE	
COc1cc(N2CCN(C(=O)c3ccn(C)c3C)CC2)cc(OC)c1OC	192589567	DJLZKXBMTSJKCU-UHFFFAOYSA-N	373.453	2.322	10	10	FECE	
COc1ccc(N(CC(=O)N2CCC[C@@H](C(N)=O)C2)[C@H](C)C2CC2)cc1	247193630	VQTHNBVBKSDHMW-GDBMZVCRSA-N	359.470	2.024	10	10	FECE	
CC(=O)N(C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(N)cc1	242541355	BYTHQRJVVMAMNN-INIZCTEOSA-N	351.406	2.197	10	10	FECE	
COc1ccc(CNC(=O)N[C@H]2CCN(c3ccccc3OC)C2)c(O)c1	373387631	WKEDLBYKQLIFTL-HNNXBMFYSA-N	371.437	2.488	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)C1CN(CC(F)(F)F)C1	804736104	NSTIECCJHGKTRT-UHFFFAOYSA-N	367.165	2.265	10	10	FECE	
Cc1c(Cl)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)nn1C	817428119	AWNUDDBRWLTVKW-UHFFFAOYSA-N	366.824	2.288	10	10	FECE	
CCN(OC)C(=O)CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	828159766	OLSQLXVVQQLVGQ-UHFFFAOYSA-N	350.463	2.083	10	10	FECE	
CC[C@@H]1[C@H](CO)CCN1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	837882835	RJMMBXYPWCORQQ-VDZJLULYSA-N	361.486	2.387	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)[C@]2(C)CCCS2(=O)=O)cc1	905457786	XGNWIQINWVSWFY-SFHVURJKSA-N	352.500	2.459	10	10	FECE	
COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C/C=C/c1ccc(N(C)C)cc1	835028322	GZGTUMICDRBVPL-RRHNZMBISA-N	372.465	2.191	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCCN1CCOC1=O	840285721	FASJFOLPAJCXMI-HNNXBMFYSA-N	362.474	2.134	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1	849415941	IMGWWOZBKFQTPR-AWEZNQCLSA-N	350.415	2.392	10	10	FECE	
O=C(NCc1cc(NC(=O)C2=CCCCO2)ccc1O)C1=CCCCO1	923120518	SPNVZRMIXVHYAD-UHFFFAOYSA-N	358.394	2.336	10	10	FECE	
c1cc(CN2CCO[C@H](CNCc3ccc4c(c3)CCCO4)C2)ccn1	922296012	RDPJSAQEHMBUNR-HXUWFJFHSA-N	353.466	2.397	10	10	FECE	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@@H](O)C1CCOCC1	854515260	RAXIFWHRIRQFGG-KRWDZBQOSA-N	352.394	2.122	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Cc3n[nH]c4c3CCCC4)C2)cc1	855225470	JKXLTIVZIBQFMC-CQSZACIVSA-N	354.454	2.235	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](CN4CCCC4)C3)C2)cc1	854299219	GQMMDDKFSSLMEU-ROUUACIJSA-N	372.513	2.401	10	10	FECE	
COC(=O)[C@]1(OC)CCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1	862740697	ITKMABCEKQDGEP-NRFANRHFSA-N	370.449	2.427	10	10	FECE	
CCOc1ccc(/C=C2/SC(=S)N(NC(C)=O)C2=O)cc1OC	206295376	QDRWQJUKDZVVLE-MDWZMJQESA-N	352.437	2.346	10	10	FECE	
CSc1nccnc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	878311996	DQZOFRNPTNOZQU-UHFFFAOYSA-N	362.430	2.104	10	10	FECE	
C[C@@H](NC(=O)C(=O)Nc1cnn(C)c1C(F)F)c1ccc(N(C)C)cc1	773848306	VMUNGRBASAKRCV-SNVBAGLBSA-N	365.384	2.240	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)CC[C@H]2CC[C@H](C3OCCO3)O2)c1	896163255	KVHDMWBLEFGTOO-OGHNNQOOSA-N	365.426	2.279	10	10	FECE	
CC1(C)CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@]2(CCOC2)O1	793361431	HSKOHBMRRVTJDL-FQEVSTJZSA-N	364.461	2.432	10	10	FECE	
CS(=O)(=O)c1ccc(/C=C/C(=O)NCc2ccc3cccnc3c2O)o1	1142731428	YYHMDROXJDAOQG-SOFGYWHQSA-N	372.402	2.267	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1CNC(=O)c1cccc(O)c1O	1963824869	HXLRZDFNYXRJON-CYBMUJFWSA-N	350.415	2.473	10	10	FECE	
COC(=O)[C@H]1C[C@H](O)CN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1	1329340480	WAULCEOPYIXIRH-HKUYNNGSSA-N	370.449	2.019	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N(C)C[C@@H](O)COCc1ccccc1	1916365617	ZKTARROIEXJPGQ-DNVCBOLYSA-N	357.454	2.105	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N1CC(CC2CC2)C1	1261765597	LYPASJMQUDFYHL-UHFFFAOYSA-N	373.522	2.115	10	10	FECE	
CC[C@@H](CN(C)c1cc2c(cc1N)OCC(=O)N2)NC(=O)OC(C)(C)C	2116680386	APFKXYNZEXALIK-NSHDSACASA-N	364.446	2.339	10	10	FECE	
CO[C@H]1C[C@H](CNC(=O)Nc2ccc(N)cc2)N(C(=O)OC(C)(C)C)C1	2115816019	ANZBQJHMRCJOAT-CABCVRRESA-N	364.446	2.415	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CCCN(C(C)C)C1	1451918690	PSPLSBSDWVQIKY-QGZVFWFLSA-N	362.470	2.404	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1CCC(=O)N[C@@H](C)CC	1709038067	BUIHCCXCFLPJNG-AWEZNQCLSA-N	359.474	2.487	10	10	FECE	
Cn1c(=O)n(C)c2cc(OC(=O)c3ccc(N=NC(N)=O)cc3)ccc21	1626966811	RBUBAFXKFHEEIL-UHFFFAOYSA-N	353.338	2.259	10	10	FECE	
COC(=O)[C@H]1CN(C)CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1	1557055832	DWLQVXONMOUKNU-SFHVURJKSA-N	369.465	2.271	10	10	FECE	
CO[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1O	1554598288	NJFJNNFFGVYEMC-ZDUSSCGKSA-N	356.430	2.056	10	10	FECE	
O=C(NCc1c(O)cccc1F)c1ccc(S(=O)(=O)C(F)F)cc1	1635360933	UNPBLJCXAXFECL-UHFFFAOYSA-N	359.325	2.458	10	10	FECE	
CC(C)(C)OC(=O)NCC1CCN(CC(=O)N2CC[C@@H](N=[N+]=[N-])C2)CC1	2124531095	BKCUDINIZGMFJJ-CQSZACIVSA-N	366.466	2.134	10	10	FECE	
CS(=O)(=O)c1cccc(CNC(=O)NCc2cc(Cl)ccc2O)c1	1682536036	YDZVGMOIWYKJCX-UHFFFAOYSA-N	368.842	2.449	10	10	FECE	
COc1cc(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)on1	153866286	UIJLJZVPSSVBKM-UHFFFAOYSA-N	370.453	2.145	10	10	FECE	
O=c1/c(=C\c2ccc(N3CCOCC3)cc2)sc2nc3ccccc3n12	4596831	DWOYWRKVKGTEBA-QGOAFFKASA-N	363.442	2.294	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc(N)cc1)[C@H](O)C(C)(C)C	2136279889	KBMYIIWIZLIJBD-GJZGRUSLSA-N	365.474	2.185	10	10	FECE	
O=S1(=O)C[C@@H]2CC(NCc3c(O)cccc3Br)C[C@H]2C1	1974485340	XSDNUPLFGHOAEM-UWVGGRQHSA-N	360.273	2.068	10	10	FECE	
O=[N+]([O-])c1ccc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cc1CO	2153995371	HLMFUPXLKSVCBI-UXHICEINSA-N	369.421	2.177	10	10	FECE	
Oc1cc2c(cc1CNC[C@@]1(O)CCCN(Cc3ccccc3)C1)OCO2	2157525890	QJIKPSPWTGEJRA-NRFANRHFSA-N	370.449	2.238	10	10	FECE	
O=C(O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)N(Cc1ccccc1)C1CC1	383535815	CCLQWXFWUFVZMO-MRXNPFEDSA-N	370.405	2.468	10	10	FECE	
COc1cccc(O)c1CN[C@H]1COCC[C@H]1NC(=O)OC(C)(C)C	2042579102	JDACHVAYEWTHGM-KGLIPLIRSA-N	352.431	2.173	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@](F)(CNC(=O)c2cccc(O)c2O)C1	2054419120	ZNIBQADFWHVPNI-RKQQLJTISA-N	354.378	2.223	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CCCOC1	2060618445	ZHOLNCIOOAJSRP-MLGOLLRUSA-N	353.423	2.219	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CC[C@@H](N=[N+]=[N-])C2)OCC1(C)C	2060636432	XXPHTGVFFXUKTQ-NEPJUHHUSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)Nc1ccc(N)cc1	2106285193	LWOIGIXIYCIOOD-XGUBFFRZSA-N	362.430	2.071	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@H](F)CN1CC(=O)Nc1ccc(N)cc1	2106751050	PCXBFZYXXASTQB-SWLSCSKDSA-N	366.437	2.144	10	10	FECE	
CC(C)(C)OC(=O)NCC1(O)CN(c2ccc3c(c2)OC(F)(F)O3)C1	2219505941	FWPHBHRLOGHOPJ-UHFFFAOYSA-N	358.341	2.084	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2253551236	ZIJFHBRLADGDNN-UPJWGTAASA-N	353.423	2.048	10	10	FECE	
CC(C)(C)OC(=O)NC12COC(C(=O)N3CCC[C@@H](N=[N+]=[N-])C3)(C1)C2	2254817832	NTTCXVKLTPJZBG-VHWKEVPUSA-N	351.407	2.114	10	10	FECE	
CN(C)c1ccc([C@H](O)c2cc(I)nn2C)cc1	2314202711	RDJQSNIFKCPDPG-ZDUSSCGKSA-N	357.195	2.172	10	10	FECE	
NC(=O)CN(Cc1ccc(N)cc1)C(=O)c1sccc1Br	111527498	GOIDRTFMKPHUJC-UHFFFAOYSA-N	368.256	2.221	10	10	FECE	
COC(=O)[C@@H](NCCN=[N+]=[N-])c1cccc(I)c1	381000646	MCBAKXLQGRPNGJ-JTQLQIEISA-N	360.155	2.405	10	10	FECE	
C[C@@H]1CC(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@@H](C)O1	94019610	BIMQFIDMEFUQDL-ZIAGYGMSSA-N	350.434	2.482	10	10	FECE	
CC[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1	244473446	ZHUWJCVUKJTGHB-MRXNPFEDSA-N	359.470	2.135	10	10	FECE	
CC(C)(C)[S@](=O)CCNC(=O)/C=C\c1ccc(N2CCOCC2)cc1	255293597	LPEQBHOSLCUMKK-BUSVIJJDSA-N	364.511	2.200	10	10	FECE	
Cc1c(C(=O)NCc2ccc(N3CCOCC3)cc2)sc2nccn12	269901895	OOAQVZOOKMSSEY-UHFFFAOYSA-N	356.451	2.471	10	10	FECE	
COc1cccc(CN2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)c1O	368144452	ZHJKLUKZBYAIBY-CVEARBPZSA-N	368.433	2.410	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2C[C@@H](C(F)(F)F)OC[C@@H]2C)c1O	809696707	OZPCSCZPOKCHSM-KWQFWETISA-N	350.293	2.461	10	10	FECE	
Cc1nc(SCCC(=O)NCc2cc(Br)ccc2O)n[nH]1	804738913	JFKKZWJELAURTC-UHFFFAOYSA-N	371.260	2.380	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)NCCCc3ncn(C)n3)ccc21	648499526	BCVAJOPJONKWGN-UHFFFAOYSA-N	369.469	2.396	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)C3CN(CC(F)(F)F)C3)C2)cc1	819587873	INIQMCFJYXXJFU-ZDUSSCGKSA-N	371.403	2.132	10	10	FECE	
CNC(=O)[C@H](CNC(=O)NCc1ccccc1O)Cc1ccc(F)cc1C	826035660	BVJUTUKQJOWCSK-INIZCTEOSA-N	373.428	2.244	10	10	FECE	
O=C(O)c1cnn2c(O)cc(CN3CC[C@@H](Cc4ccccc4)C3)nc12	738701594	DJWGHLPHLHHYTI-AWEZNQCLSA-N	352.394	2.198	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@H](S(=O)(=O)NCc2ccccc2O)C1	914140559	JPXLCVMFGYQDPV-AWEZNQCLSA-N	370.471	2.211	10	10	FECE	
CC(C)(CNC(=O)NCc1ccc(N2CCCC2)cc1)CS(C)(=O)=O	914180312	KWNCWGXYPHYHPG-UHFFFAOYSA-N	367.515	2.157	10	10	FECE	
COc1cc2c(cc1C(=O)NCc1ccc(N3CCOCC3)cc1)OCO2	759370426	VNCAPUPILMGCIX-UHFFFAOYSA-N	370.405	2.191	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)NCCC2(CS(C)(=O)=O)CC2)c1	850485146	BRXXJWORRDIVTQ-LBPRGKRZSA-N	355.456	2.044	10	10	FECE	
COCc1ccc([C@H]2COCCN2C(=O)/C=C/c2ccc(O)c(O)c2)o1	928524818	YCMGRUFSFCJVHR-NKPGBKMFSA-N	359.378	2.451	10	10	FECE	
CCN(C)C[C@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	854298707	ADZGOIVYYUSVMT-IAGOWNOFSA-N	360.502	2.257	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](O)Cc3ccccc3)C2)cc1	852448425	IZSDPPIZPFKEPF-IEBWSBKVSA-N	369.465	2.177	10	10	FECE	
CCCN(CC(F)(F)F)C(=O)COC(=O)/C=C\c1ccc(O)c(O)c1	859600068	AHPRTEZHWCUJSH-XQRVVYSFSA-N	361.316	2.455	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCc3nc[nH]c3C23CCC3)cc1	931678615	MFLGXHLBKVXJOJ-UHFFFAOYSA-N	353.470	2.029	10	10	FECE	
CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)cc1	776748450	JGPUULWLTCKIQO-UHFFFAOYSA-N	355.437	2.295	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@@H](OC(F)F)C1	781374065	XROBBLTUPVNBLK-MRXNPFEDSA-N	369.412	2.436	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)NCC2(CN=[N+]=[N-])CC2)C[C@H](O)C1(C)C	1879107797	WBJGDIYHICJBJT-GTNSWQLSSA-N	367.450	2.247	10	10	FECE	
CO[C@H]1COCC[C@@H]1N(C)c1nnc(-c2sccc2O)n1CC1CC1	1123422413	AAVVXCVHNLQXAH-JSGCOSHPSA-N	364.471	2.362	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)NCC1(CN=[N+]=[N-])CC1)[C@@H](O)C(C)(C)C	1878001337	NRDFEFIUIVDAOF-NWDGAFQWSA-N	369.466	2.493	10	10	FECE	
CC[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1CCCOC1	897808063	ITJQPGMHVYXIMF-PKOBYXMFSA-N	371.481	2.000	10	10	FECE	
COC(=O)c1c(CN[C@H](C)CN2CCCC2=O)c2cc(F)ccc2n1C	894196786	CBTFKPJMHOBHNJ-GFCCVEGCSA-N	361.417	2.205	10	10	FECE	
COC(=O)CC1(CC(=O)OCC(=O)c2ccc(O)c(O)c2)CCCC1	784889482	LYIIEEMHQCUZNG-UHFFFAOYSA-N	350.367	2.337	10	10	FECE	
CN1CCCc2cc([C@@H](CN)N3CC(NC(=O)OC(C)(C)C)C3)ccc21	1881657850	FZMXSMMKCZAFKA-GOSISDBHSA-N	360.502	2.278	10	10	FECE	
O=C(COc1cccc(NC(=O)C2CC2)c1)NCc1c(O)cccc1O	1304050452	NLHSCZVRHFFJOI-UHFFFAOYSA-N	356.378	2.142	10	10	FECE	
Cc1ccc(O)c(CNC(=O)[C@H](C)S(=O)(=O)c2ccc(F)cc2)c1	1301046971	OPTQVCOBERSDQO-LBPRGKRZSA-N	351.399	2.318	10	10	FECE	
O=S1(=O)CCC[C@]12CCN(c1ccc(CO)cc1Br)C2	709027502	LQKVZHVTDNWRLA-CQSZACIVSA-N	360.273	2.099	10	10	FECE	
Nc1ccc(CCNC(=O)C(=O)N2CC[C@@](F)(c3ccccc3)C2)cc1	1348606641	XJZNBGVHQOIMIC-FQEVSTJZSA-N	355.413	2.025	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)N[C@H]1C[C@H]2C=C[C@H]1CC2	1351164685	LIWCKYGDXLXTRL-AVGNSLFASA-N	351.497	2.212	10	10	FECE	
Cc1cc(CC(=O)N2CCN(C3CC3)C(=O)C2)c(C)n1-c1ccccc1	1435386673	OMUXYHVFBYEXNE-UHFFFAOYSA-N	351.450	2.470	10	10	FECE	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(O)c3)C2=O)cc1	1163992	AWVLKCXLDZZVLI-NTEUORMPSA-N	352.346	2.327	10	10	FECE	
CC(C)(C)OC(=O)NC1[C@H]2CC[C@H]1CN(C(=O)c1ccc(O)c(O)c1)C2	2118177695	DTUVIXZOCDZXDV-STQMWFEESA-N	362.426	2.473	10	10	FECE	
CCOC(=O)c1ccc(NC(=O)/C(=C\C2=S=CC=C2)NC(C)=O)cc1	1463655100	SRPVBZZQNDKOOF-LFIBNONCSA-N	358.419	2.099	10	10	FECE	
CC(=O)Nc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)nc1	1618644159	TUYOZFHBBKEMGR-LJQANCHMSA-N	369.469	2.139	10	10	FECE	
O=C(CCNC(=O)c1ccsc1)NCc1ccc2cccnc2c1O	1627069624	QWGZYSIFGRMHQL-UHFFFAOYSA-N	355.419	2.438	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@@H]1C[C@@H]2COCC[C@@H]2N(C(=O)OC(C)(C)C)C1	2124537650	ALRCEHCGBDPGDC-MCIONIFRSA-N	367.450	2.417	10	10	FECE	
C[C@@H]1CCc2[nH]nc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)c2C1	1636779365	DSGFWTOQTKOZJV-OAHLLOKOSA-N	367.497	2.216	10	10	FECE	
COc1ccc(N2CCCN([C@@H](C)c3nc(-c4nc[nH]n4)no3)CC2)cc1	1641555077	YONWMQLYUTYAQO-ZDUSSCGKSA-N	369.429	2.137	10	10	FECE	
COc1ccc(O)c(CN=c2nc([C@@H](C)NC(=O)OC(C)(C)C)[nH][nH]2)c1	2130119312	PCADNUMTDSHHKP-SNVBAGLBSA-N	363.418	2.139	10	10	FECE	
COc1ccc([C@@H](C)N=c2[nH]nc(CNC(=O)OC(C)(C)C)o2)c(O)c1	2138818005	NDOBAIQHMNZGPT-SNVBAGLBSA-N	364.402	2.404	10	10	FECE	
CCN[C@H](c1ccccc1O)[C@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	2136027335	JAZAADZNEZXSCM-GVDBMIGSSA-N	366.458	2.040	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@@H](O)C(F)(F)F	1951424494	LDGIDCCRCGMRKB-JOYOIKCWSA-N	351.321	2.457	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1cncs1)C(=O)N1CC(N=[N+]=[N-])C1	2010389741	UJHLYXPCTIKTJD-NSHDSACASA-N	352.420	2.100	10	10	FECE	
N[C@H](c1cc(Br)cc(Br)c1O)P(=O)(O)O	308805503	AVLHXYQVAKTSDY-ZETCQYMHSA-N	360.926	2.052	10	10	FECE	
Nc1ccc(OCC(=O)NCc2ccc(NC(=O)C(F)(F)F)cc2)cc1	2162517207	ABYJWVQTAHPAOZ-UHFFFAOYSA-N	367.327	2.465	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H]1OCC[C@@H]1NC(=O)OC(C)(C)C	860047299	AVRUMTOTOHPBPW-DZGCQCFKSA-N	350.415	2.033	10	10	FECE	
C[C@H](CNC(=O)COc1ccc(N)cc1)CN(C)C(=O)OC(C)(C)C	2044208567	LDNZHLXHADGQNY-CYBMUJFWSA-N	351.447	2.267	10	10	FECE	
CN1CCc2cc([C@@H](CN)N3C[C@H]4[C@H](NC(=O)OC(C)(C)C)[C@H]4C3)ccc21	2195113569	AKNVEASFGKBPOL-JFRXWTBNSA-N	372.513	2.134	10	10	FECE	
C[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)c1cc(O)ccc1O	2063342525	VYDYKXQTLRXLMB-PJODQICGSA-N	352.431	2.119	10	10	FECE	
CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2064341144	DLSFSJFEGGORCN-CHWSQXEVSA-N	355.439	2.201	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@H]2NC(=O)COc1ccc(N)cc1	2106266798	XAZYASWBIHNFGK-IVMMDQJWSA-N	361.442	2.162	10	10	FECE	
CN1C[C@H](O)[C@H](N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)C1	2106606347	NOOVXYGDLVMLPI-MSOLQXFVSA-N	361.486	2.139	10	10	FECE	
CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H]1CN(C2CC2)C[C@H]1O	2106777738	WKHNOKNLSSLTQJ-QZTJIDSGSA-N	361.486	2.355	10	10	FECE	
C[C@@H](N[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)c1c(O)cccc1O	2330888542	YUHXTOOGVHDTCV-BRXULGCHSA-N	364.442	2.383	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCc3cc(O)c(O)cc3C2)C1	2341194741	XWIIFGONFDPZTB-MQMHXKEQSA-N	362.426	2.286	10	10	FECE	
CO[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1C	187408326	OTOGRTMARKTOKC-KDOFPFPSSA-N	365.449	2.229	10	10	FECE	
Cc1ccc(O)c(CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1	179601116	SSURZUADZQPPFQ-UHFFFAOYSA-N	364.442	2.346	10	10	FECE	
COCCNC(=O)Cn1cc(N[C@@H](C)c2cc(Cl)ccc2O)cn1	186498105	AQNUKUXMFAYKPR-NSHDSACASA-N	352.822	2.178	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CCc2cc(O)c(O)cc2C1	2366909534	JSXVVVAJXBRESX-HALDLXJZSA-N	374.437	2.095	10	10	FECE	
FC(F)(F)c1nnc2n1CCN(Cc1ccc(N3CCOCC3)cc1)C2	93461061	HLOPNSHXXDQRGB-UHFFFAOYSA-N	367.375	2.149	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1csnn1	92531825	GISCQRIOJFOWMV-UHFFFAOYSA-N	357.483	2.000	10	10	FECE	
CCOC(=O)c1csc(CCNCc2cc(OC)c(OC)cc2O)n1	276267998	XPESJEUDTDOHKN-UHFFFAOYSA-N	366.439	2.375	10	10	FECE	
COc1cc(C)c(NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1C	278057460	JUZITDWDGIEPDK-ZDUSSCGKSA-N	372.421	2.409	10	10	FECE	
CC(C)COC1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC1	283545777	QJJQWTLOMRATNX-UHFFFAOYSA-N	361.486	2.032	10	10	FECE	
Cc1ccc(CN(C)C(=O)[C@H](N)CC(F)F)c(O)c1Br	2381133402	OBHOSJJQGJHMES-SECBINFHSA-N	351.191	2.404	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCC(=O)Nc1nnc(C2CC2)o1	727766295	PTZRYRFIMGRWOK-UHFFFAOYSA-N	371.441	2.390	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Nc3ccc4c(c3)nnn4C)C2)cc1	823859068	VZKQTVRJTZOTKH-CQSZACIVSA-N	366.425	2.377	10	10	FECE	
Cc1cc(Br)c(O)c(CN(C)[C@H]2CCN3CCO[C@H]2C3)c1	824501565	OPYDHNNNNSKRQI-GJZGRUSLSA-N	355.276	2.368	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)/C=C\c3ccc[nH]3)cc2)CC1	588560146	XFXRKRGIPWAJHW-TWGQIWQCSA-N	352.438	2.013	10	10	FECE	
CO[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@@](C)(C(=O)O)C1	908847961	XJJPNEVKXNFROV-VQIMIIECSA-N	361.442	2.060	10	10	FECE	
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	906949155	FOBLSLFFQNGVHO-LSDHHAIUSA-N	364.417	2.072	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCN(C(=O)C2CCCCC2)CC1	588405571	LRCNXLMZYDCRDV-CLFYSBASSA-N	358.438	2.362	10	10	FECE	
C[C@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1nnc(O)n1C	926134497	PIVVSBSUTGXENL-AWEZNQCLSA-N	372.473	2.414	10	10	FECE	
CCC1(CNC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1	752900666	FPHNGDLJZVPHRH-UHFFFAOYSA-N	360.502	2.307	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC[C@H]1CNC(=O)C1	926970497	RIMAYMFBQFMNLJ-QGZVFWFLSA-N	358.486	2.345	10	10	FECE	
Cc1cc(CC(=O)N(CC(N)=O)C2CCOCC2)c(C)n1-c1ccccc1	921735332	MEHNNDRQURZMKB-UHFFFAOYSA-N	369.465	2.130	10	10	FECE	
C[C@@H](NC(=O)NCCN1C[C@H]2CCCCN2C1=O)c1ccc(N(C)C)cc1	852261937	WOBUIUMPLXJYFI-CRAIPNDOSA-N	373.501	2.403	10	10	FECE	
Cn1nccc1CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	766635620	AJGPUBCLHFJCAU-UHFFFAOYSA-N	364.396	2.349	10	10	FECE	
Cc1nccc(CNC(=O)NCc2cccc(Br)c2O)n1	764761791	DYFJOCXXSUJOKV-UHFFFAOYSA-N	351.204	2.253	10	10	FECE	
CCO[C@@H](C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C1CCOCC1	869230187	GLJSOCBPUKQHIA-QFBILLFUSA-N	362.470	2.222	10	10	FECE	
CCn1cc(CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)nn1	931203459	QOWOCYRQUDZTFQ-LJQANCHMSA-N	371.485	2.114	10	10	FECE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	864954598	SUVOOOXPPXIBQE-LENQJPSJSA-N	355.482	2.297	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)[C@]23C[C@H]2COC32CCC2)N(C)C)cc1	891243528	PFLQCSKTZXQUOL-MDKPJZGXSA-N	357.498	2.431	10	10	FECE	
CCOc1cc([N+](=O)[O-])c(C(=O)NCc2cc(O)ccc2O)cc1OC	1176748423	SBEHPOXGIZCVPI-UHFFFAOYSA-N	362.338	2.343	10	10	FECE	
Cc1cccc2c(=O)n(CC(=O)NCc3cccc(Cl)c3O)cnc12	1180410860	SWAFVUVNPFDQJL-UHFFFAOYSA-N	357.797	2.380	10	10	FECE	
CN(C)CCC[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CCO1	1330665978	OWYIAAWALACQQS-LJQANCHMSA-N	374.529	2.321	10	10	FECE	
O=C(C(=O)N(Cc1ccco1)C[C@@H]1CCCO1)N1Cc2cccc(O)c2C1	1332001389	RMLPBZUHFUJVBU-INIZCTEOSA-N	370.405	2.035	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)cc1	1347353079	JIODQRYGXBNHNR-UHFFFAOYSA-N	353.426	2.107	10	10	FECE	
C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cc1ccc(O)c(O)c1	1441017445	RNXZSXFBNSSQHQ-GFCCVEGCSA-N	363.435	2.263	10	10	FECE	
COc1cc(OC)nc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)n1	1525762866	UWBMRTHUCHEJGM-ZDUSSCGKSA-N	358.442	2.229	10	10	FECE	
CN1C[C@@](C)(Cn2c(N(C)Cc3ccccc3O)nnc2C(C)(C)C)C1=O	1298877785	OBYQXOKWMPURDG-FQEVSTJZSA-N	371.485	2.396	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CCO)(CNC(=O)Nc2ccc(N)cc2)C1	2119202237	DEFWEXDSPWDNIN-UHFFFAOYSA-N	364.446	2.010	10	10	FECE	
COc1ccc(CNC[C@H](C)N(C)C(=O)[C@@H]2C[C@H]2c2cncn2C)cc1C	1714771301	DKVGISDJZKGQFS-CGTJXYLNSA-N	370.497	2.477	10	10	FECE	
Cn1nccc1[C@@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCO1	1627723472	LTJYAJKHDSQABX-ZFWWWQNUSA-N	356.386	2.233	10	10	FECE	
COc1cccc(-n2cc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)nn2)c1	1567467231	FEXNGWFPYSGIRO-GFCCVEGCSA-N	368.393	2.048	10	10	FECE	
C[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H]1CN(Cc2ccccc2)CCO1	1565905867	CSJLSBGUJJWKSC-YWZLYKJASA-N	370.449	2.046	10	10	FECE	
CCOc1ccc(N2CCN(CC[S@](=O)C(F)(F)F)CC2)cc1	1649398780	XOZAZVYSDQLGTN-QHCPKHFHSA-N	350.406	2.476	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](CC(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)[C@@H](O)C1	2124536577	RVNAXRADPOCDQT-IHRRRGAJSA-N	367.450	2.153	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1	2124509024	KDJJILQRACDGHG-IIYDPXPESA-N	365.434	2.171	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](C)c3ncccc3C)nc12	1656488727	HOGZVSVZHLOCQC-GFCCVEGCSA-N	355.398	2.166	10	10	FECE	
CCOC(=O)c1ccc(NC(=O)CN2C(=O)[C@H](CC)SC2=S)cc1	11635609	OSJZVASNBHIWHO-LBPRGKRZSA-N	366.464	2.441	10	10	FECE	
CC(C)[C@H](NC(=O)N(C)Cc1ccccc1O)c1nc(-c2nnc[nH]2)no1	151695488	WEDCZZUAQSACPR-ZDUSSCGKSA-N	371.401	2.099	10	10	FECE	
Cc1cc(=O)c(OCCN2CCCC2)cn1CCOc1ccc(N)cc1	1857916590	CJWALBSAHYXQQY-UHFFFAOYSA-N	357.454	2.293	10	10	FECE	
COc1cc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)ccc1CN	2139699684	ZAJNZWRUNHPZRS-FPOVZHCZSA-N	353.466	2.244	10	10	FECE	
COCC1(NC(=O)OC(C)(C)C)CC(NCc2ccc(O)c(O)c2)C1	2035375062	LQDIQUGAFIBHQQ-UHFFFAOYSA-N	352.431	2.260	10	10	FECE	
CC[C@H](N[C@@H]1[C@H]2CS(=O)(=O)C[C@H]21)c1cc(Br)ccc1O	2174644318	QCHVAYPXWNOGKT-KZVDOYCCSA-N	360.273	2.238	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)[C@H]1C[C@@H]2C[C@@H]2C1	2052124232	HBQLLVWKBFWCQS-ANGPLYBPSA-N	350.459	2.191	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2253542456	BUGMRDHRBWWNOS-FRRDWIJNSA-N	353.423	2.048	10	10	FECE	
O=C1NN(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(O)c([N+](=O)[O-])c1	2297327395	PYWCVJDVVNCLEF-UHFFFAOYSA-N	359.725	2.415	10	10	FECE	
Cc1c(C=CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cnn1C	2304174283	QPOCYUMOBCQUCG-UHFFFAOYSA-N	368.481	2.267	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1CN(C(=O)c1cccc(O)c1O)C2	2333675103	YESIRNACZTWRDO-SGMGOOAPSA-N	362.426	2.473	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1C[C@@H](F)C1	2352485289	XYIGNGHOOUOFAW-XQQFMLRXSA-N	368.405	2.150	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1	2132411005	RLELUKFZJOBSSV-PWSUYJOCSA-N	366.414	2.227	10	10	FECE	
CC(C)c1nnc2n1C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)CC2	181736636	NTZXQZWWLLYLOS-OAHLLOKOSA-N	356.474	2.282	10	10	FECE	
CC(C)CN1C(=O)/C(=C/Nc2ccnn2[C@@H](C)C2CC2)C(=O)NC1=S	254953770	YSBWRTSJMXJMJF-ZWSXMNCCSA-N	361.471	2.049	10	10	FECE	
C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)CCN1C	266765803	PSLNMKPKVKADQZ-APWZRJJASA-N	360.502	2.147	10	10	FECE	
O=C1[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)N1Cc1ccc(N2CCOCC2)cc1	277450486	STWQREWGXRLOOT-SZMVWBNQSA-N	355.438	2.086	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)CCc3ccnn3C)cc2F)C[C@H](C)O1	274634906	ZOGJYKMFVFHYDH-GJZGRUSLSA-N	374.460	2.422	10	10	FECE	
Cn1cccc(NC(=O)NCc2cc(Br)ccc2O)c1=O	806293272	ZXGFWZXXJOUREF-UHFFFAOYSA-N	352.188	2.175	10	10	FECE	
C[C@H]1CCN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)c2ccccc2S1	809958400	VTMJRZUDHQWYLP-YXVBKTCISA-N	371.462	2.015	10	10	FECE	
COC1(CNC(=O)NCc2cc(Br)ccc2O)CCOCC1	805223217	XRZKDMVARWUQGT-UHFFFAOYSA-N	373.247	2.150	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@]3(C)C[C@@H]4C[C@@H]4C3)nc12	815362101	ZBKHTASQWKJAMJ-XGISUXEOSA-N	359.382	2.091	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)NCc3noc(C4CC4)n3)C2)cc1	823442417	GMTIXACESDRSFN-ZDUSSCGKSA-N	371.441	2.281	10	10	FECE	
CCOC(=O)C[C@H](CO)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	820055717	ZRNCHQXJLQRKSK-MRXNPFEDSA-N	358.438	2.446	10	10	FECE	
Cc1c(C(=O)NCc2cc(Br)ccc2O)nn2c1OCCC2	831933216	ZCBTYDDJDCEYIR-UHFFFAOYSA-N	366.215	2.372	10	10	FECE	
Cn1nccc1[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)OC(C)(C)C	844099239	JRAGFEXSMAUSEJ-JKNJVXJCSA-N	373.409	2.044	10	10	FECE	
CN1C(=O)[C@H](NCc2ccc(N3CCOCC3)c(F)c2)Cc2ccccc21	850352536	AACOKWPCYZKBTA-GOSISDBHSA-N	369.440	2.340	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN[C@@H](C)C3CCCC3)CC2)cc1	754786805	AEHQVCVCYGSEKV-PXNSSMCTSA-N	361.530	2.346	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN3CCC[C@@H](CCF)C3)CC2)cc1	852533421	UOOKTJRGQXREIX-KRWDZBQOSA-N	363.477	2.415	10	10	FECE	
CCN(CC)[C@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	852454943	RMGOHSDUFQQJSP-AEFFLSMTSA-N	360.502	2.400	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CCC(N3CC[C@H](O)C3)CC2)c1O	852708443	BLNMRCWWKLSZFV-INIZCTEOSA-N	352.862	2.279	10	10	FECE	
O=C1CCc2cc(NS(=O)(=O)c3cc(F)cc(F)c3O)ccc2N1	753020410	RINCYBPWTGEJMH-UHFFFAOYSA-N	354.334	2.356	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CNCc4ccccc43)C2)cc1	852843726	FWGFXNUPBYZCLD-UZLBHIALSA-N	351.450	2.277	10	10	FECE	
C[C@@H](NCCCN1CCC[C@@H]1C(=O)N(C)C)c1cc(F)cc(F)c1O	756523251	BIRWKUVFRLVRFN-MLGOLLRUSA-N	355.429	2.264	10	10	FECE	
C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)C(=O)NCc1ccc(N(C)C)cc1	1116976005	KYTITFPAHQXHKT-RISCZKNCSA-N	357.376	2.168	10	10	FECE	
O=C1OCC[C@H]1CCCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	871909047	BZUCOXQRDMCGGO-LLVKDONJSA-N	366.801	2.153	10	10	FECE	
O=S1(=O)CCN(c2ccc(CNC[C@@H]3CC3(Cl)Cl)cc2)CC1	877030399	FSODAYRABZOJGB-ZDUSSCGKSA-N	363.310	2.205	10	10	FECE	
CNC(=O)CCOC1CCN(Cc2cccc(Br)c2O)CC1	770287696	ZNULEXCONOMJSU-UHFFFAOYSA-N	371.275	2.272	10	10	FECE	
CN(Cc1cnc(N(C)C)nc1)C(=O)NCc1ccc(N2CC=CC2)cc1	780024120	QBIQZSSMJXNLLL-UHFFFAOYSA-N	366.469	2.260	10	10	FECE	
CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCc1c(O)ccc2ccccc12	1157041344	FBYNBOUKXHBUEE-MRXNPFEDSA-N	364.467	2.126	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1c[nH]nc1-c1ccc2c(c1)OCO2	1303225317	GAFKFBJQXAZELM-UHFFFAOYSA-N	353.334	2.147	10	10	FECE	
O=C(CNC(=O)Cc1cccc2ccccc12)NCc1c(O)cccc1O	1304049628	ASCJLEKRGVTZRL-UHFFFAOYSA-N	364.401	2.226	10	10	FECE	
COCCOC(=O)c1c(C)[nH]c(C(=O)NCc2c(O)cccc2F)c1C	1178409535	FXZDJFSCVQVNAS-UHFFFAOYSA-N	364.373	2.209	10	10	FECE	
CO[C@H]1C[C@@H](CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)C1	1329800164	WXAZYDUTKUCLRY-KDYLLFBJSA-N	372.421	2.055	10	10	FECE	
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNS(=O)(=O)Cc1ccc(N)cc1	708510799	MDELQXQOTIQUMU-APWZRJJASA-N	373.522	2.456	10	10	FECE	
CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2c(c1)CCCN2C	1501465344	IWPKDQYJXUUUIW-INIZCTEOSA-N	368.485	2.116	10	10	FECE	
CCn1c(SCC(=O)NCc2ccc(O)cc2O)nnc1-c1ccco1	1451737874	LKQLOOLDNPTINW-UHFFFAOYSA-N	374.422	2.378	10	10	FECE	
COc1ccc(CN[C@@H]2CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c(O)c1	2121661239	DSFZPDCQASALAD-UXLLHSPISA-N	364.442	2.125	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CC2)n1CC[C@@H]1COCCO1	1711095355	JYCHFLWQZDXZTM-MRXNPFEDSA-N	358.442	2.303	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccnc(CO)c3)cc2F)C[C@@H](C)O1	1630554898	HZNGGYYKUOAKKV-ZIAGYGMSSA-N	373.428	2.257	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3c(OC)ccnc3OC)C2)cc1	1632617579	VYPPBLDHWONDNG-ZDUSSCGKSA-N	357.410	2.116	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@]1(C)COC[C@@H]1NC(=O)OC(C)(C)C	2124376997	OUBMUXDGVRXEIB-HNAYVOBHSA-N	364.442	2.280	10	10	FECE	
CC[C@@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1O	1763375333	VBQJNXKIAFACOQ-DNVCBOLYSA-N	360.458	2.285	10	10	FECE	
COc1cc(O)c(CN2CCC(N3CCO[C@@H](C)C3)CC2)cc1OC	160234790	RJRGOTUJVSJFDX-AWEZNQCLSA-N	350.459	2.095	10	10	FECE	
Cc1ccccc1C(=O)NCC(=O)N1CCOc2cc(N(C)C)ccc21	155119322	UFXAWTUXNUCGOB-UHFFFAOYSA-N	353.422	2.216	10	10	FECE	
O=C(CCNCc1cc(Cl)cc(Br)c1O)Nc1nc[nH]n1	1860714881	APTITSMDXWGRLN-UHFFFAOYSA-N	374.626	2.045	10	10	FECE	
Nc1ccc(OCC(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1	2132354634	RWHFTTRUKGWULA-XLIONFOSSA-N	351.450	2.381	10	10	FECE	
CN1CCCc2cc(CNC3(CO)CN(C(=O)OC(C)(C)C)C3)ccc21	1918567435	COWUAKQMDIODCN-UHFFFAOYSA-N	361.486	2.140	10	10	FECE	
NS(=O)(=O)c1ccc(NCc2ccccc2O)c(Br)c1	37137951	IGMOXTZICKYBSL-UHFFFAOYSA-N	357.229	2.414	10	10	FECE	
C[C@H](c1cc(Br)ccc1O)N1CC[C@H]2CS(=O)(=O)C[C@@H]21	2151233284	RTVBNTYAYYDKQB-NRUUGDAUSA-N	360.273	2.335	10	10	FECE	
C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccc(O)cc1O	2052720675	LRBMVEYTBXVWDW-SGIREYDYSA-N	352.431	2.119	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)NCC2(CN=[N+]=[N-])CC2)C1	2060639647	KKCNTYZFLDDPJP-GFCCVEGCSA-N	353.423	2.219	10	10	FECE	
CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)C1	2060633900	SVOQRIRTEPTKDA-MQIPJXDCSA-N	353.423	2.360	10	10	FECE	
COc1ccc([C@H](C)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(O)c1	2062450674	INUBTTRNQKSKGM-PEYYIBSZSA-N	352.431	2.032	10	10	FECE	
C[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)C(C)(C)NC(=O)OC(C)(C)C	2076541209	CBGKHHPGJSVPLN-GFCCVEGCSA-N	371.503	2.380	10	10	FECE	
C[C@@H](NC(=O)COc1ccc(N)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1	2106268636	OIELINKYRMIPMA-KGLIPLIRSA-N	363.458	2.409	10	10	FECE	
CN(C(=O)CN1CCC[C@H]1CNC(=O)OC(C)(C)C)c1ccc(N)cc1	2106655379	PBXZRABKWVUCBA-INIZCTEOSA-N	362.474	2.221	10	10	FECE	
CN(C)CCN(C[C@@H](N)c1ccc2c(c1)CCN2C)C(=O)OC(C)(C)C	2106852329	DVVBZWHMQLEFHK-QGZVFWFLSA-N	362.518	2.477	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)N3CC[C@H](N=[N+]=[N-])C3)c2C1	2277443520	PUIUJUSPXFKNEC-JTQLQIEISA-N	361.406	2.228	10	10	FECE	
O=C1N=C(N2CCCCC2)SC1=Cc1cnc(N2CCOCC2)s1	2297437075	VYRDBYGMQWVKFO-UHFFFAOYSA-N	364.496	2.436	10	10	FECE	
CO[C@H](CCNC(=O)OC(C)(C)C)C(=O)NCc1ccc(N(C)C)cc1	2341264131	YOLDNVRAFMQWLG-MRXNPFEDSA-N	365.474	2.299	10	10	FECE	
Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c(O)c1O	182459530	MEWCJXNUXLFJOP-YOEHRIQHSA-N	355.438	2.442	10	10	FECE	
C[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1CNC(=O)OC(C)(C)C	2132402789	FIYWHISEISYIAG-JQWIXIFHSA-N	366.414	2.036	10	10	FECE	
CC(C)N1C[C@@H](C)[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1	132411493	CIMCPRVGQJMAOL-XLIONFOSSA-N	374.529	2.393	10	10	FECE	
CCCOc1ccc(CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c(O)c1	92044956	DEVNZMQKKYCANN-QGZVFWFLSA-N	368.499	2.181	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H]2C[C@@H](CO)C2)C1	633836754	RZRWHUUBCRTBFN-IYBDPMFKSA-N	355.482	2.295	10	10	FECE	
COC[C@@]1(C(=O)OC)CCCN1Cc1cc(Br)ccc1O	827489435	QNIFYRZPENHKPO-OAHLLOKOSA-N	358.232	2.309	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Nc3cc(C)cn(C)c3=O)C2)cc1	821968770	KMBJLBWACHCDIQ-CQSZACIVSA-N	356.426	2.103	10	10	FECE	
Cc1cc(C(=O)Cn2nc(C)n(C)c2=O)c(C)n1-c1ccc(Cl)cn1	844772349	VQYGTEKUZUAXPM-UHFFFAOYSA-N	359.817	2.229	10	10	FECE	
COc1ccc(N2CCN(c3nccc4c(O)ncnc34)CC2)cc1F	848670292	LFACSJLOFBNBAD-UHFFFAOYSA-N	355.373	2.205	10	10	FECE	
Cc1cc(Br)cc(CN2CN(CCN(C)C)C(=O)[C@@H]2C)c1O	843427996	FEICFMXLDVFPAT-LBPRGKRZSA-N	370.291	2.015	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)N3CCCCC3)CC2)cc1	914460265	DNUVMWFSJRQHLA-UHFFFAOYSA-N	360.502	2.403	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CNC(=O)C3CCCCC3)C2)cc1	855229301	MKBSBKKQAKQMJY-INIZCTEOSA-N	359.470	2.087	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cnn(-c4ccncc4)c3)C2)cc1	855225338	KDKSCNNKYCQKAJ-MRXNPFEDSA-N	363.421	2.285	10	10	FECE	
COCc1n[nH]c(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)n1	853704618	RUVBZLCFFKLYGF-UHFFFAOYSA-N	372.473	2.187	10	10	FECE	
CCS(=O)(=O)C1(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1	852260807	CGNUBLSHJAGCDT-ZDUSSCGKSA-N	353.488	2.080	10	10	FECE	
COc1ccc(N2CCN(c3nc4cnccc4n3C)CC2)c(OC)c1	866138700	OKSJLJWQXWUAEC-UHFFFAOYSA-N	353.426	2.312	10	10	FECE	
Cc1ccc(O)c(CNC(=O)CN2CC[C@@H](c3ccccc3)NC2=O)c1	862753927	LQGMPATUKRCLBN-KRWDZBQOSA-N	353.422	2.473	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@@H]2CCCNC2=O)C1	769664786	JGLBDYKDTAAJQO-LJQANCHMSA-N	369.465	2.230	10	10	FECE	
NC(=O)N1CCC(NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1	765640365	JHQUMHHSPZKLNM-UHFFFAOYSA-N	368.428	2.390	10	10	FECE	
CCN1CCN(CC(=O)NCc2cc(C)n(-c3ccccc3)c2C)CC1	863165626	ICDLPCJHXQJTGF-UHFFFAOYSA-N	354.498	2.348	10	10	FECE	
O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1Cc2cccc(O)c2C1	871205071	VGEWQWCDYWOWDL-UHFFFAOYSA-N	369.377	2.293	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cn1nnnc1-c1ccccc1	1135693569	LSMSCBTVZJMRMO-UHFFFAOYSA-N	350.426	2.065	10	10	FECE	
CCN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@@H](C)CS(C)(=O)=O	896332725	NIRPIPPHWCJPSA-VIFPVBQESA-N	357.453	2.208	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)OC(C)(C)C1	1880091251	UHMODSQBKHYBBH-PWNZVWSESA-N	368.474	2.103	10	10	FECE	
Cc1nc2c(c(O)nn2C)c(C)c1CCC(=O)NCc1c(O)cccc1F	1178412596	BERKECVXRPSFNG-UHFFFAOYSA-N	372.400	2.384	10	10	FECE	
COc1ccc(N2CCN(CCCC(=O)NCC(C)C)CC2)c(OC)c1	1197104351	BJMPAKGEOVBQDG-UHFFFAOYSA-N	363.502	2.378	10	10	FECE	
CC(C)CNC(=O)C1(NCC(=O)NCc2ccc(N(C)C)cc2)CCCC1	1191832282	VKIAUMJATXFUNR-UHFFFAOYSA-N	374.529	2.043	10	10	FECE	
CN1CCN(c2ccc(CN[C@](C)(CO)c3cccc(O)c3)cc2F)CC1	1351626864	CHBUDQVZSBZPCB-OAQYLSRUSA-N	373.472	2.280	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c(C)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1	1510675608	SWMRJJKMDPDZGJ-IAGOWNOFSA-N	371.441	2.123	10	10	FECE	
Cn1ncc(CCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1	1525593176	HXASFXPUXZYSCI-UHFFFAOYSA-N	360.373	2.162	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@@H](NC(=O)c1cccc(O)c1O)C2	2118187075	HHBKXIYSUZZEBD-OBJOEFQTSA-N	362.426	2.473	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1ccc(NCCn2ccnc2)cc1	1639447851	LGKOXUMCNZMKNF-UHFFFAOYSA-N	352.394	2.336	10	10	FECE	
Cc1ccc(O)c(CNC(=O)CNC(=O)c2cc(-c3ccccc3)on2)c1	1633282611	LHJSJIJFXANHSJ-UHFFFAOYSA-N	365.389	2.402	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(C(N)=O)[nH]1	1631166146	BRYUTUBAFNCDOU-UHFFFAOYSA-N	366.215	2.244	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC(N[C@@H]2CCOC2)C1	1639364586	CKGCYKUWRIQYJP-QGZVFWFLSA-N	367.449	2.110	10	10	FECE	
O[C@H](CN1CCOCC1)CN1CCCc2cc(OC(F)(F)F)ccc21	157583935	XNVJHYXFTRCYOW-CQSZACIVSA-N	360.376	2.031	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3nonc3OCC(C)C)CC2)cc1	1872681582	LSBVSYWSAOKATH-UHFFFAOYSA-N	360.414	2.075	10	10	FECE	
Cc1c(OCCN2CCCC2)c(=O)ccn1CCOc1ccc(N)cc1	1857919690	SNKKMSRVHGDIKG-UHFFFAOYSA-N	357.454	2.293	10	10	FECE	
C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)CCOc1ccc(N)cc1	2162981307	QUAFNRDAAREYJT-BXUZGUMPSA-N	373.375	2.096	10	10	FECE	
COC(=O)[C@@](C)(O)CN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1	2044511953	PBEVIOCGOLNHEX-SFHVURJKSA-N	352.431	2.072	10	10	FECE	
C[C@@H](C[S@@](C)(=O)=NC(=O)Cc1ccc(N)cc1)NC(=O)OC(C)(C)C	2044650479	NDGVEXASZRVMMD-UOXLDJKESA-N	369.487	2.349	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)NCC1(CN=[N+]=[N-])CC1)[C@H]1CCOC1	2060620770	FCHUCWRIPQZBTJ-NWDGAFQWSA-N	353.423	2.123	10	10	FECE	
CC(C)(C)OC(=O)N=S1(=O)CC2(CN(Cc3cc(N)ccc3O)C2)C1	2062661022	NKNAEMZGUIQXEK-UHFFFAOYSA-N	367.471	2.193	10	10	FECE	
COCC1(NCc2ccc(F)c(F)c2O)CN(C(=O)OC(C)(C)C)C1	2070570416	BZXQHHBHEJPYLE-UHFFFAOYSA-N	358.385	2.396	10	10	FECE	
CCOC(=O)c1cccc(N)c1N[C@H]1COC[C@H]1NC(=O)OC(C)(C)C	2108845416	IHUXDAWOPOVEKR-UONOGXRCSA-N	365.430	2.150	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-]	2218746539	QKXSWVBCGWSQIP-QHSOUUPTSA-N	353.423	2.264	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](COc3ccc(N)cc3)O[C@H]2C1	2253907057	SZZKLVLFYMGXSL-JYJNAYRXSA-N	350.415	2.051	10	10	FECE	
C[C@@H](NC1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(F)c(F)c1O	187794178	JSMGDGNVKSYKKB-SNVBAGLBSA-N	360.426	2.278	10	10	FECE	
CC(=O)N(C(=S)NC[C@@H]1COc2ccccc2O1)c1ccc(N)cc1	243698406	PLDXUQXUBBNVLL-OAHLLOKOSA-N	357.435	2.336	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N[C@@H](CO)Cc1ccccc1	255757235	UAJDASTXRYGBHS-NHHWLVAYSA-N	366.461	2.256	10	10	FECE	
O=C(/C=C\c1cncc(O)c1)NCc1ccc(N2CCC(CO)CC2)cc1	255617511	RQOPERGESLLDOX-UTCJRWHESA-N	367.449	2.326	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(Cn2ccnn2)c1	611656628	FPLAEWRKVAQRPQ-UHFFFAOYSA-N	363.421	2.432	10	10	FECE	
COc1cc(N2CCC(Oc3cnccn3)CC2)c([N+](=O)[O-])cc1OC	369698917	YTOPFSBLMPNAJR-UHFFFAOYSA-N	360.370	2.450	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N3CC[C@]4(CNC(=O)C4)C3)cc2)CC1	279376499	FLDKKBFOZPKQQA-NRFANRHFSA-N	370.497	2.345	10	10	FECE	
Cc1noc([C@H](C)NC(=O)NCc2cc(Br)ccc2O)n1	805187192	ZTXAPFISQFNEQG-ZETCQYMHSA-N	355.192	2.407	10	10	FECE	
CCN(C)c1ccc([C@H](C)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1	806169627	IMFQVNGIBOUBCH-DOTOQJQBSA-N	368.547	2.064	10	10	FECE	
CCS(=O)(=O)NC1CCN(Cc2cc(Cl)c(F)cc2O)CC1	293782970	BXUGEHMQDLIXKP-UHFFFAOYSA-N	350.843	2.088	10	10	FECE	
C[C@H](NC(=O)NCc1cc(Br)ccc1O)c1cnn(C)c1	805149091	WGKDHVJTWQCRMB-VIFPVBQESA-N	353.220	2.449	10	10	FECE	
CC(=O)C(=O)COC(=O)c1c(C)c2cc(Br)ccc2oc1=O	808526107	LEVFJIQGTSLREL-UHFFFAOYSA-N	367.151	2.179	10	10	FECE	
CC(C)(C)OC(=O)C1(CNC(=O)NCc2ccccc2O)CCOCC1	826035633	BAWOVKZEKXIXPI-UHFFFAOYSA-N	364.442	2.330	10	10	FECE	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2COC(=O)N2)cc1	823232889	JTNAHQYFFMGCLO-SFHVURJKSA-N	369.421	2.403	10	10	FECE	
C[C@@H](C(=O)N1CCCC1)N1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1	835028643	NVQQXDCNJLJGOZ-RURPWVQCSA-N	370.541	2.394	10	10	FECE	
Cc1cc(CC(=O)N2CC[C@]3(CNC(=O)C3)C2)c(C)n1-c1ccccc1	834713131	DVMFTYQWTKHOAY-NRFANRHFSA-N	351.450	2.375	10	10	FECE	
CN(C)c1ccc(/C=C/CN[C@H]2CCCN(Cc3nccn3C)C2=O)cc1	835048414	RIUANEGYAZHFOO-OQBYNLHGSA-N	367.497	2.280	10	10	FECE	
O=C(NCCNc1nccc(C(F)(F)F)n1)NCc1c(O)cccc1F	919662088	YXKQZQPVLLSWNU-UHFFFAOYSA-N	373.310	2.251	10	10	FECE	
CCOC(=O)CNC(=O)C1CCN(Cc2c(O)cc(C)cc2Cl)CC1	840921504	UMDYHHWNKQMUCK-UHFFFAOYSA-N	368.861	2.245	10	10	FECE	
CC1CCN(c2ccc(CN3C(=O)N[C@H](c4ccnn4C)C3=O)cc2)CC1	843311041	OAZUNVNWBGCKII-GOSISDBHSA-N	367.453	2.450	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cc(C4CCNCC4)no3)C2)cc1	852844789	ZSPWIPOPGZUPPF-OAHLLOKOSA-N	370.453	2.159	10	10	FECE	
CCc1c(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)[nH]c(C)c1C(N)=O	855233080	DXOJZZPBFYSANF-ZDUSSCGKSA-N	370.453	2.002	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCCC[C@@H]2CNC(C)=O)c([N+](=O)[O-])c1	858863970	RFCABFXTHCHOEG-SOIVGHGOSA-N	361.398	2.276	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N(C[C@H]3CCOC3)C3CC3)C2)cc1	854301524	QBCCBWBAJHFVAH-HZPDHXFCSA-N	359.470	2.484	10	10	FECE	
CO[C@H](C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)C1CCC1	854905964	LMYPAZOSYQWEJM-KRWDZBQOSA-N	354.397	2.233	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Nc3cccc(OCCN)c3)C2)cc1	850748472	IPDCPSAITDDRHW-MRXNPFEDSA-N	370.453	2.433	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3ccnc(OC)c3)C2)cc1	851943548	BGQBRJBUYSZRPI-HNNXBMFYSA-N	356.426	2.177	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3cnc(Cl)cn3)C2)cc1	923188617	SLXNFEYRBIMIFS-GFCCVEGCSA-N	361.833	2.217	10	10	FECE	
CCOC[C@@H]1CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CCO1	858762490	ISFCQOXBSZGPOR-DYLGSBMWSA-N	350.371	2.023	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cc4c(cc3OC)OCO4)C2)cc1	855226280	NDJWFWMDAUGGIF-ZDUSSCGKSA-N	370.405	2.441	10	10	FECE	
C[C@@H](NC(=O)NCC(O)(C1CC1)C1CC1)c1ccc(N2CCOCC2)cc1	853487840	YQFDRUFWQZZYIZ-OAHLLOKOSA-N	373.497	2.435	10	10	FECE	
CNS(=O)(=O)c1ccc(CCN[C@@H](C)c2cccc(OC)c2O)cc1	866579402	UQRGWTDHEXWFLT-ZDUSSCGKSA-N	364.467	2.202	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H]1Cc2c(C)cccc2N1C(=O)OC(C)(C)C	860312932	YIBHPIVCQVDLIM-HNNXBMFYSA-N	361.394	2.363	10	10	FECE	
CCN1CN(C(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)CC1=O	861306182	JAHWIPBRPAAPDW-UHFFFAOYSA-N	353.422	2.477	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H]3CCNC34CCC4)C2)cc1	861648193	RTXAXGMMYZXSMW-MAUKXSAKSA-N	358.486	2.105	10	10	FECE	
C[C@@H](NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cn[nH]c1	778140326	BWGYOAOZPSQUSO-GFCCVEGCSA-N	374.400	2.474	10	10	FECE	
Cc1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)c(O)c1O	780890228	DLDVDKDXGSKNRP-KBPBESRZSA-N	371.437	2.345	10	10	FECE	
CC[C@@H](CO)N1CCN(Cc2cc(C)cc(Br)c2O)CC1	781914741	ZIUNSFTWAKGHKR-AWEZNQCLSA-N	357.292	2.352	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2nc(O)cc(O)n2)c1	1301574827	BYWNURPAGZONRS-UHFFFAOYSA-N	366.377	2.038	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)Nc2c(Cl)ccc3nonc23)c1	1324140170	FUKQEXUOHCRSCZ-DJWKRKHSSA-N	357.757	2.283	10	10	FECE	
Cc1cc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)ncc1C(N)=O	1265741624	ZBWVPIMDHYJPHI-UHFFFAOYSA-N	372.388	2.451	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3cnc(SC)nc3O)C2)cc1	1452026442	JKYKFGCNGRGBNJ-GFCCVEGCSA-N	374.466	2.169	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@H]2C1	2118160048	MWLSPWULIDQSFA-ZIAGYGMSSA-N	362.426	2.427	10	10	FECE	
CCOc1cc(C(=O)NCc2cccc(O)c2O)c([N+](=O)[O-])cc1OC	1637034931	ODLFVJYRESYWQW-UHFFFAOYSA-N	362.338	2.343	10	10	FECE	
NS(=O)(=O)c1ccc(C(=O)NCc2c(O)ccc3ccccc23)c(F)c1	1639384692	QYTQQBMSNVNIRN-UHFFFAOYSA-N	374.393	2.262	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@]1(N(C)C(=O)OC(C)(C)C)CCOC1	2124373994	HJRXMVKWSHGOGX-IBGZPJMESA-N	364.442	2.377	10	10	FECE	
COC(=O)c1ncoc1CNC(=O)c1cc(C)n(-c2ccccn2)c1C	1644344493	CEHGVEAHVZTLSD-UHFFFAOYSA-N	354.366	2.194	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNc3ncc([N+](=O)[O-])s3)cc2)CC1	1643193715	HFZKWIFZAYZPEW-UHFFFAOYSA-N	361.427	2.365	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1	2124540036	BXBLOBXOLFWMTN-GUYCJALGSA-N	367.450	2.297	10	10	FECE	
COC[C@@]1(C(N)=O)CCCN1C(=O)c1cc(C)n(-c2ccccc2)c1C	1848441895	WWKZQNJGDYLABF-HXUWFJFHSA-N	355.438	2.201	10	10	FECE	
C[C@H](NC(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1)c1ccccc1O	1676479671	ZFYHCHLCSMDZHN-NWDGAFQWSA-N	351.403	2.303	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)N3CCNC(=O)[C@@H]3C)c2C)c1	1684599486	AZZRZLMQZHVDEM-INIZCTEOSA-N	354.454	2.432	10	10	FECE	
CCN1CCN(CCCN[C@@H](C)c2ccc(N3CCC(O)CC3)cc2)CC1	154221475	JQHSOTMYFOWNLN-IBGZPJMESA-N	374.573	2.326	10	10	FECE	
CCOc1cccc(/C=C2/SC(=S)N(CCOCCO)C2=O)c1	1858589233	LJFBVAKVWRRCES-SDNWHVSQSA-N	353.465	2.295	10	10	FECE	
CN(CCCC(=O)Nc1ccc(N)cc1)C[C@H](O)COCc1ccccc1	1916365975	DWEXWKPQVVYCTG-FQEVSTJZSA-N	371.481	2.497	10	10	FECE	
Cc1cccc(CNC(=O)[C@]2(NC(=O)OC(C)(C)C)CCCOC2)c1O	2139758007	OAQSIFQVOMGJOP-IBGZPJMESA-N	364.442	2.391	10	10	FECE	
CN(Cc1cc(Cl)cc(Br)c1O)[C@]1(C(=O)O)CCOC1	708091348	SLXOIVCULGZQCY-CYBMUJFWSA-N	364.623	2.484	10	10	FECE	
CNCc1ccc(N2CCS(=O)(=O)C(C)(C)C2)cc1Br	2170277927	QWRKCFWIOUEROP-UHFFFAOYSA-N	361.305	2.182	10	10	FECE	
O=C(c1ccc(O)c(O)c1)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1	2185521883	LQMVIZQXTGWXCC-XLIONFOSSA-N	368.433	2.213	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@H](CC(=O)C(=O)C[C@H]1C[C@H](N)C1)C(F)(F)F	2049784508	MOWJYNXQYFYXKW-GIPNMCIBSA-N	366.380	2.440	10	10	FECE	
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060636517	YRYNWQWKJZWIQQ-XQQFMLRXSA-N	353.423	2.312	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@]12COC[C@H]1CN(C(=O)OC(C)(C)C)C2	2060639927	NMVSHYFFYYBWIL-WBMJQRKESA-N	353.423	2.029	10	10	FECE	
CO[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCCCN=[N+]=[N-]	2063954441	CADNACUKMWALAA-OLZOCXBDSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](Nc2c(N)cccc2C(=O)O)CCO1	2108837819	LTAQRBHKKUIYIY-RYUDHWBXSA-N	365.430	2.451	10	10	FECE	
Nc1ccc(OC[C@H](O)CN2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1	2188877839	JWOKNFUQUYISEJ-CZTZKLFOSA-N	367.493	2.215	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(F)cc2O)[C@H](CO)C1	2084177676	YWFMZZLGNDKOSV-ZFWWWQNUSA-N	354.422	2.239	10	10	FECE	
CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(N)cc1	2106673130	ZFHKKSOWFUPEBY-MRXNPFEDSA-N	363.458	2.253	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](F)CN1c1cc2c(cc1N)OCCO2	2106808297	RPQIVJXDSQIZJK-NEPJUHHUSA-N	367.421	2.482	10	10	FECE	
CC[C@@H]1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CCN1CCOC	121556170	IEMBKQAMFCSDSP-CYBMUJFWSA-N	353.419	2.159	10	10	FECE	
C[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1NC(=O)OC(C)(C)C	2132402258	CRMPBNPDWRCZHW-CMPLNLGQSA-N	366.414	2.179	10	10	FECE	
Cc1ccc(C(=O)NCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1C	186436444	PTNZLTMUOIPTTJ-AWEZNQCLSA-N	356.422	2.192	10	10	FECE	
C[C@@H](Nc1cnn(CC(=O)NCCO)c1)c1cc(Cl)c(Cl)cc1O	193274148	CQDUQAGLDUUZDL-SECBINFHSA-N	373.240	2.177	10	10	FECE	
CC1(C)CC(=O)c2cc(NC(=O)C(=O)NCc3ccccc3O)ccc2O1	376708591	ANXGDYCPBDWCQS-UHFFFAOYSA-N	368.389	2.391	10	10	FECE	
Cc1ncccc1/C=C/C(=O)N1CCc2ccc(S(=O)(=O)N(C)C)cc21	825980640	HZGVTZPFUSEMPA-VQHVLOKHSA-N	371.462	2.243	10	10	FECE	
O=C(NCCCSc1nccs1)N1CC[C@H](Nc2ncccn2)C1	826692858	MROSFLVWGSHQFB-LBPRGKRZSA-N	364.500	2.311	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Nc3ccc(C(N)=O)cc3F)C2)cc1	821485603	AKOSLPVMLCUQBX-CYBMUJFWSA-N	372.400	2.334	10	10	FECE	
CCc1cccc(CN2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c1O	826894464	PRNMDWCVTFDFIS-STQMWFEESA-N	351.390	2.362	10	10	FECE	
Cc1ccccc1[C@H]1CCN(Cc2cc(O)n3ncc(C(=O)O)c3n2)C1	738324239	FIXFWUYMSJHHDL-ZDUSSCGKSA-N	352.394	2.431	10	10	FECE	
Cc1cnn(C)c1C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	839719206	ZXKWRKQNCYCOKA-UHFFFAOYSA-N	367.497	2.191	10	10	FECE	
CCCN(CCC)c1ccc(CNCC2(O)CCS(=O)(=O)CC2)cc1	741260091	DMIKOFKDLJIGNF-UHFFFAOYSA-N	368.543	2.342	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCC[C@@H]2CCC(F)(F)C2)cc1F	929801923	IBAGBNWQMBMJKN-LBPRGKRZSA-N	371.403	2.450	10	10	FECE	
C[C@@H]1[C@H](NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C[C@H]2CC[C@H]1N2	925777656	PXWMTRUWSGCQSK-XFHUWUJUSA-N	356.514	2.007	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)/C=C/c1ccc(S(C)(=O)=O)o1	858199476	KMTJRAJRXAAQRJ-PKNBQFBNSA-N	362.451	2.421	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cnc(OCC4CC4)cn3)C2)cc1	855223152	BXMIFOZIHOIJAM-HNNXBMFYSA-N	368.437	2.283	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](CN4CCCC4)C3)C2)cc1	854299217	GQMMDDKFSSLMEU-MSOLQXFVSA-N	372.513	2.401	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CSCCS3)C2)cc1	853844297	LJZHOEIDDWTAIN-BBRMVZONSA-N	367.540	2.422	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)cc2F)CC1	874439716	KBXPXFZHJRXATB-HZPDHXFCSA-N	371.460	2.111	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCc3c(CC(N)=O)cccc3C2)c1O	879230680	QLISWORPHLIWCT-UHFFFAOYSA-N	356.397	2.320	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)C1(NC(=O)OC(C)(C)C)CC(O)C1	1878970204	GBYFZOUHOWVSMC-GLIABKTBSA-N	364.442	2.330	10	10	FECE	
COCCN(CCC(=O)OC)Cc1cc(C)cc(Br)c1O	781912333	PDDHHRZBTIGNDN-UHFFFAOYSA-N	360.248	2.475	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(C)(C)n3cnc(C)c3)CC2)cc1F	896898328	HWYGIPVCCVAWPN-UHFFFAOYSA-N	360.433	2.423	10	10	FECE	
CC[C@@H](C)NC(=O)CCNCc1c(C(=O)OC)n(C)c2ccc(F)cc12	894195413	ZPDBFZFMLCCFAG-GFCCVEGCSA-N	363.433	2.498	10	10	FECE	
CC[C@H](N[C@@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(F)cc1O	796934347	RDNHAVIVAYEDMO-JKSUJKDBSA-N	360.433	2.497	10	10	FECE	
Cc1ccc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)c(O)c1O	799086570	CXXYPGACFJEUGV-XJKSGUPXSA-N	354.406	2.326	10	10	FECE	
CCN1CCc2cc([C@H](N)[C@@]3(O)CN(C(=O)OC(C)(C)C)[C@H]3C)ccc21	1887683341	IHXVGQPVDBCMIS-QKMWGZLOSA-N	361.486	2.439	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC(C)(C)C(F)(F)F	1323041761	IQIQDBIIFWJBNF-UHFFFAOYSA-N	359.392	2.382	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)N[C@@]2(C)CC(C)(C)OC2=O)cc1	1251626440	WQFKBSIYYIMATR-IBGZPJMESA-N	363.458	2.257	10	10	FECE	
C[C@@H]1CNc2c(C(=O)NCc3cc(Br)ccc3O)cnn2C1	1347065884	MGTFWUGKPPAVSK-SECBINFHSA-N	365.231	2.343	10	10	FECE	
O=C(NCc1cccc(O)c1O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1	1352657240	AJICPELHWKRTCM-MRXNPFEDSA-N	370.405	2.373	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCc1ccc(N2CCC(CO)CC2)cc1	1293929096	PDEQEDLDGKFFIL-UHFFFAOYSA-N	370.449	2.165	10	10	FECE	
Cn1cc(-c2nc3n(c2NC(=O)c2cccc(O)c2O)CCCC3)cn1	1603409936	DRNNFTIFUWRBKQ-UHFFFAOYSA-N	353.382	2.283	10	10	FECE	
Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NCc1cc(Cl)ccc1O	1469875105	UNFTYYWPGUBTTP-MRXNPFEDSA-N	371.828	2.441	10	10	FECE	
C[C@H](NC(=O)c1cc(=O)n(C)cc1Br)c1ccccc1O	1471199213	URYPYYRKCLYZKU-VIFPVBQESA-N	351.200	2.344	10	10	FECE	
Cc1cc(F)cc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1N	1633253215	ZJZWRSFITOFAPG-UHFFFAOYSA-N	356.445	2.398	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C1	2124540766	LHRZKHYEIZSRQB-DYVFJYSZSA-N	367.450	2.440	10	10	FECE	
COc1ccc(N2CCN(CC[S@@](=O)C(F)(F)F)CC2)c(OC)c1	1654564415	GDSKSKOYGHFBPY-XMMPIXPASA-N	366.405	2.094	10	10	FECE	
Cc1ccc(C)n1[C@@H](CC(=O)OC[C@H]1CNC(=O)CO1)c1ccc(F)cc1	1852169210	ZAHSGFOSYHSGDG-MSOLQXFVSA-N	374.412	2.282	10	10	FECE	
C[C@H](O)c1cccc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n1	1119937714	XRPJERPTIJIIKU-HOCLYGCPSA-N	354.454	2.449	10	10	FECE	
COC(=O)[C@@H]1CCN[C@@H](c2cc(I)ccc2O)C1	1952446923	DIOGYJAYORJKIB-LDYMZIIASA-N	361.179	2.211	10	10	FECE	
CC(C)(C)OC(=O)N(CCC(F)(F)F)CC(=O)C(=O)C[C@H]1C[C@H](N)C1	2049786740	PIQNDWWEQZTTKD-XYPYZODXSA-N	366.380	2.442	10	10	FECE	
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2060622041	UVKOCAQAEBXMMC-UPJWGTAASA-N	355.439	2.464	10	10	FECE	
CCO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CC[C@H](CN=[N+]=[N-])C1	2060640566	WPXYDSAQWJHSLH-OLZOCXBDSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](CO)(NCc2cc(F)cc(F)c2O)C1	2070032428	ZFTOKBDOWBMDGG-KRWDZBQOSA-N	358.385	2.132	10	10	FECE	
Nc1ccc(CCC(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)cc1	2106697175	WKSQHLSWOUYZCT-UHFFFAOYSA-N	357.376	2.119	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CN(CC(=O)Nc3ccc(N)cc3)C[C@@H]2C1	2106759362	GJWARHISTABOPE-OKILXGFUSA-N	360.458	2.006	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(CCC(=O)Nc3ccc(N)cc3)C[C@@H]21	2107818962	VUBOTFIJFZCYCX-SCAQPMJSSA-N	360.458	2.052	10	10	FECE	
CN1C(=O)[C@@H](O)c2ccc(N3CC[C@@H](N(C)Cc4ccccc4)C3)cc21	2095819831	KMOXIDLMUHLQBU-XLIONFOSSA-N	351.450	2.407	10	10	FECE	
CC(C)S(=O)(=O)C[C@H](C)NCc1cc(Br)ccc1O	2114190966	XTYUFDVWLPCIDZ-JTQLQIEISA-N	350.278	2.456	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@]12CCCO[C@H]1CN(C(=O)OC(C)(C)C)C2	2221344021	YOKQXLDIBYYTRJ-LRDDRELGSA-N	353.423	2.171	10	10	FECE	
COc1ccc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c(CO)c1	2227710241	CSFNHHSESGNRNR-RTWAWAEBSA-N	354.450	2.277	10	10	FECE	
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)C=Cc1ccc(O)c(O)c1	2307982136	PIOPYCUKTRYJRK-UHFFFAOYSA-N	372.396	2.415	10	10	FECE	
Cc1ccc(CNS(=O)(=O)c2cncs2)c(O)c1Br	2352931626	BCUWTXHOSRHDMG-UHFFFAOYSA-N	363.258	2.398	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)Cn1cc(-c2ccccc2)nn1	121752978	GBUMZOODVBURSC-UHFFFAOYSA-N	363.421	2.437	10	10	FECE	
O=C1CN(c2ccc(CNC(=O)NCCCc3ccccc3)cc2)CCN1	31101575	JBXOTXZVLZSYLY-UHFFFAOYSA-N	366.465	2.055	10	10	FECE	
CN1C(=O)CC[C@H](C(=O)NCc2ccc(O)c(O)c2)[C@@H]1c1ccccc1	182531720	NVBDKMGAMFWJBI-KXBFYZLASA-N	354.406	2.324	10	10	FECE	
O=C(NCC1CCN(C(=O)c2ccccc2)CC1)c1cccc(O)c1O	193082984	QOZLDTABLCMRDP-UHFFFAOYSA-N	354.406	2.380	10	10	FECE	
CCNC(=O)CN(CC)C(=O)c1cccc2c1C(=O)c1ccccc1C2=O	134237527	HMLHYSCPNPOGOR-UHFFFAOYSA-N	364.401	2.060	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc(O)c(O)c(O)c2)C1	2132405196	XNBWPKPFJNHEPO-GFCCVEGCSA-N	366.414	2.275	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCO[C@@H](C(F)F)C1	194075994	OAXSLUFNCYMUNO-OAHLLOKOSA-N	371.453	2.415	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H]2c2ccco2)c1	94152820	DCUVSFGHVYBFTQ-ZDUSSCGKSA-N	350.396	2.334	10	10	FECE	
CCN1CCN(c2ccc(C(=O)NCCc3ccc(N)cc3)cc2)CC1	236995765	BFEGLWXAZMDKRN-UHFFFAOYSA-N	352.482	2.383	10	10	FECE	
COCCNc1ccnc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1	243994475	SERSTLQBBJTXHW-UHFFFAOYSA-N	370.453	2.111	10	10	FECE	
Nc1nccc([C@@H]2CCCN(Cc3ccc(N4CCOCC4)cc3)C2)n1	367656607	DKZWLUKHRUJODC-QGZVFWFLSA-N	353.470	2.275	10	10	FECE	
C[C@@H]1[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CC(=O)N1Cc1ccccc1	374061623	OESMMELHRGQOFO-XXQHSVDTSA-N	366.417	2.417	10	10	FECE	
COc1cc(N2CC(C)(C)O[C@@]3(CCOC3)C2)c([N+](=O)[O-])cc1OC	280127687	DCMINEKODPDWPG-KRWDZBQOSA-N	352.387	2.386	10	10	FECE	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NCc1cc(Br)ccc1O	804739486	ZPLIAURMXINOAB-SECBINFHSA-N	357.248	2.322	10	10	FECE	
COc1ccc(N2CCCN(C(=O)C[C@H]3CCOC[C@@H]3OC)CC2)cc1	822656326	UYZJUWOVVPMKTO-APWZRJJASA-N	362.470	2.176	10	10	FECE	
COC[C@](C)(O)CCNC(=O)N(Cc1ccco1)Cc1ccccc1O	838637136	LKZVGMSAPOUSNM-LJQANCHMSA-N	362.426	2.485	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)cc1	900027364	SUXIUUJKWXRLMP-QZTJIDSGSA-N	357.458	2.092	10	10	FECE	
CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc(F)cc(C(C)=O)c2O)C1	830673928	HSBGZLRLRUJUKL-OAHLLOKOSA-N	362.323	2.234	10	10	FECE	
COCc1ccc(OC)c(S(=O)(=O)Nc2ccc(O)cc2COC)c1	840918010	NVCHHMVNLBBMKM-UHFFFAOYSA-N	367.423	2.494	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3ccc4c(n3)OCCO4)C2)cc1	847088053	QHPSBHIPLMQPII-CQSZACIVSA-N	369.421	2.118	10	10	FECE	
CN1CCN(c2ccc(CN[C@@H]3CCCN4CCSC[C@@H]34)cc2)CC1	922522720	GACRTJBVAHBOMG-UXHICEINSA-N	360.571	2.108	10	10	FECE	
C[C@@H](NC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(N2CCOCC2)c(F)c1	926943301	BZFHZRVIAOIULD-RGPZOAQRSA-N	350.434	2.117	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@]2(CCCCN2)C1	926349461	ZNAOFZQRLSWPLJ-OAQYLSRUSA-N	373.497	2.266	10	10	FECE	
CCNC(=O)NC1(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCCC1	855230599	QBRPWWWRYWEDEN-HNNXBMFYSA-N	374.485	2.022	10	10	FECE	
COCCN(CCF)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	852012594	MWYDAMARLNYSBW-HNNXBMFYSA-N	353.438	2.212	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)NCc2nc3c(s2)COCC3)c1	927690020	SZETUOKVSUBQDM-JTQLQIEISA-N	363.439	2.490	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3cccc(F)c3)C2)cc1	850537980	ZCHHBXDNWALHKP-OAHLLOKOSA-N	357.385	2.168	10	10	FECE	
CN1CCN(c2ccc(CN[C@@H]3Cc4ccccc4N(C)C3=O)cc2)CC1	850352943	NDOGTKMSZDTSSS-HXUWFJFHSA-N	364.493	2.116	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cn(C)nc3C(F)(F)F)C2)cc1	855232129	NUZNFXMMMKICIK-LLVKDONJSA-N	368.359	2.456	10	10	FECE	
Cc1ccc(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)cc1-n1c(C)cc(C=O)c1C	862129075	MCUOLODNIMVIAR-WOVMCDHWSA-N	353.422	2.209	10	10	FECE	
CNc1ccc(NC(=O)C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1	861505244	AYDGQNJGMYDNNU-INIZCTEOSA-N	368.437	2.071	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2N)cc1	868227664	KOHUYPBQFAQDEZ-RBUKOAKNSA-N	366.465	2.164	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cncc2[nH]ccc12	880750331	JZMXLNXYTZGPCV-UHFFFAOYSA-N	350.422	2.454	10	10	FECE	
COc1ccc(N2CCN(C(=O)CSCCn3cc(C)cn3)CC2)cc1	789693263	JUIFOBMDHWXSCV-UHFFFAOYSA-N	374.510	2.282	10	10	FECE	
CC(=O)c1cn(C2CN(Cc3cc(C)cc(Br)c3O)C2)nn1	897939161	RVJMDOGSYSMNGX-UHFFFAOYSA-N	365.231	2.314	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)CN1C[C@@H](C(F)F)CC1=O	795399409	CVSHYXJBWCPKOS-HNNXBMFYSA-N	353.413	2.026	10	10	FECE	
CC1=C[C@@H](C)CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	797525597	BIPGYWPYIAVBLC-OAHLLOKOSA-N	361.461	2.177	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCN(c3ncccc3F)C2)cc1	1149777852	ZXDGYGSEPYWDDI-CYBMUJFWSA-N	356.361	2.392	10	10	FECE	
CCCCSCC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCC	1153663179	IJIQRIPMFGPHRZ-ZDUSSCGKSA-N	355.456	2.222	10	10	FECE	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(O)c(O)c1	1150378844	XFLOIUKXKPDDRK-OAHLLOKOSA-N	358.394	2.071	10	10	FECE	
C[C@@H]1OCC[C@@]1(O)Cn1c(C2CCC2)nnc1N(C)Cc1ccccc1O	1305249311	ZVZIDQNSRPVLIL-VBKZILBWSA-N	372.469	2.428	10	10	FECE	
COc1ccc(CCCN(C)C(=O)C(=O)N2Cc3cccc(O)c3C2)cc1	1329785108	AJGYTLMDUIEDDM-UHFFFAOYSA-N	368.433	2.334	10	10	FECE	
O=C(NCCc1nc(Cc2ccccc2)no1)c1c(F)ccc(O)c1O	1184460494	OUTVRADRTWARKC-UHFFFAOYSA-N	357.341	2.183	10	10	FECE	
COc1ccc(CNC[C@H]2CN(C)CCN2Cc2ccccc2)c(O)c1	694758083	ACIKJSCPVLYGDC-IBGZPJMESA-N	355.482	2.307	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)COCc3ccnc(O)c3)CC2)cc1	1335141999	MSVFKTKGTPUZEJ-UHFFFAOYSA-N	371.437	2.051	10	10	FECE	
O=C(Cc1cccc2nsnc12)NCc1ccc(N2CCOCC2)cc1	1345664332	MGBCAOHVGORTEQ-UHFFFAOYSA-N	368.462	2.387	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)N3C[C@H]4CSC[C@@]4(C)C3)cc2)CC1	1479185976	YMCYTSXTYBFLAZ-FXAWDEMLSA-N	374.554	2.333	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc([N+](=O)[O-])c(O)c1	1557115885	YBVLSWZKSMFBPL-UHFFFAOYSA-N	374.349	2.212	10	10	FECE	
CCOC(=O)[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(OC)c(F)c1	1625457583	UDFRRFPLEAFNFH-HNNXBMFYSA-N	363.341	2.280	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2cn(C)c(=O)nc2O)c1	1558041277	PYOMGIDKGRJLKT-UHFFFAOYSA-N	366.421	2.132	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)c2n[nH]c3c2CCCC3)N(C)C)cc1	1637004585	HUGLXRVLDZDUGX-GOSISDBHSA-N	355.486	2.387	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)C[C@@H](O)C1	2124537707	AYRVKSMEZHAPEF-MELADBBJSA-N	367.450	2.153	10	10	FECE	
Nc1ncc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1[N+](=O)[O-]	1597089666	HCJSTIUFFUCEFX-AWEZNQCLSA-N	372.381	2.099	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)C1(O)CC(NC(=O)OC(C)(C)C)C1	2127758490	NICXBJSCPLNNCE-GLIABKTBSA-N	364.442	2.330	10	10	FECE	
CN(C)c1ccc([C@H](NC(=O)C2(C(=O)O)CCCC2)c2nccn2C)cc1	1866172955	QEABZQXHLGUTLW-INIZCTEOSA-N	370.453	2.337	10	10	FECE	
CCOc1cccc(CNCCC(=O)N(CCO)Cc2ccccc2)c1O	1857863894	LVFGLRRQIUEUSN-UHFFFAOYSA-N	372.465	2.292	10	10	FECE	
CCOc1cccc(CN=c2[nH]nc(CNC(=O)OC(C)(C)C)o2)c1O	2138816381	FFTLDYDDQKRLDM-UHFFFAOYSA-N	364.402	2.233	10	10	FECE	
C[C@@H](N=c1[nH]nc(CCNC(=O)OC(C)(C)C)o1)c1c(O)cccc1O	2138818848	RIDHNZHARFJZAK-SNVBAGLBSA-N	364.402	2.143	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)N3CCC[C@@H]3CN=[N+]=[N-])O2)C1	2140447374	VLSGEYCEKBCYDV-OLZOCXBDSA-N	365.434	2.456	10	10	FECE	
O=S1(=O)CCC[C@@H]2CN(Cc3cccc(Br)c3O)C[C@@H]21	2145070922	DWLPJKSKADBTAR-MFKMUULPSA-N	360.273	2.164	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)Cc1csc(CNC(=O)OC(C)(C)C)n1	2010391062	MBVMEUFKCHOTKI-UHFFFAOYSA-N	354.436	2.479	10	10	FECE	
C[C@H]1[C@@H](C)S(=O)(=O)CCN1c1ccc(CN)c(Br)c1F	2170279891	PDJQPNJMPPVNAU-DTWKUNHWSA-N	365.268	2.059	10	10	FECE	
CC(C)S(=O)(=O)CCN(C)c1ccc(CN)c(Br)c1F	2170438090	WZWUNNYQTKXIHP-UHFFFAOYSA-N	367.284	2.306	10	10	FECE	
CC(C)(C)OC(=O)NCC1(NCc2ccc(O)cc2O)CCOCC1	705685788	RXLJTKWGJACHBC-UHFFFAOYSA-N	352.431	2.261	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](NCc2ccc(N3CCOCC3)cc2)CO1	722489107	HIIBAWYNOGJWRY-INIZCTEOSA-N	363.458	2.164	10	10	FECE	
COc1ccc([C@@H](C)n2nc(C)c(C(N)=O)c2Br)c(O)c1	2079969931	KQELZJKHWOAJMQ-MRVPVSSYSA-N	354.204	2.376	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@H](NCc3c(O)cccc3F)CO[C@H]2C1	2057953738	OGEWZJNDLBBUQA-BJJXKVORSA-N	352.406	2.255	10	10	FECE	
CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)N3CCC[C@H](CN=[N+]=[N-])C3)(C1)C2	2266083332	UFTAFOSMGFNFOS-CSMYWGQOSA-N	365.434	2.362	10	10	FECE	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCCCn1ccnc1	2293185118	DYHFVSHAAZMQOT-UHFFFAOYSA-N	368.397	2.468	10	10	FECE	
CN(C[C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(CO)cc1Br	2285296325	QDFQLFZGUQFJCG-HAQNSBGRSA-N	362.289	2.201	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N1CCN(Cc2cccc(F)c2)C(=O)C1	2308001507	OJKDJAPZSAVQDG-UHFFFAOYSA-N	370.380	2.121	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CCO[C@H]2C[C@@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2331228176	LLLQKKVXEMIPGU-FQUUOJAGSA-N	365.434	2.455	10	10	FECE	
O=C1CN(c2ccc(CNC(=O)[C@H]3C[C@@H]3c3ccccc3F)cc2)CCN1	106263478	DZJSEVORSDQROB-MSOLQXFVSA-N	367.424	2.182	10	10	FECE	
Cc1nnnn1-c1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc1	1358003926	KLGDVTUYNSSZFW-UHFFFAOYSA-N	354.389	2.106	10	10	FECE	
Cc1ccc(S(=O)(=O)NCCC(=O)N(C)Cc2ccccc2O)cc1	120285284	ANJKEEFCZRIKHW-UHFFFAOYSA-N	362.451	2.028	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCO[C@@]3(CCOC3)C2)cc1F	184451309	YIERCPOUVIJSTA-IBGZPJMESA-N	365.449	2.373	10	10	FECE	
CC(C)CN1C(=O)/C(=C\N[C@@H](C)c2ccc(F)c(F)c2)C(=O)NC1=S	72680456	HSTIHVDKEGNIQQ-BZPKPHBRSA-N	367.421	2.399	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3C[C@@H]4OCCC[C@H]43)CC2)cc1F	251535403	DKAMUKONOWWEAD-LESCRADOSA-N	363.433	2.233	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(C(=O)N2CCCCC2)CC1	376533669	AGSKCRXDOGDIHV-FNORWQNLSA-N	358.438	2.362	10	10	FECE	
C[C@H](NC(=O)C(=O)N1C[C@H](C)CC[C@H]1C)c1ccc(N2CCOCC2)cc1	803302346	MIXZAACGBQUVFR-ZACQAIPSSA-N	373.497	2.347	10	10	FECE	
Cc1cc(C(=O)N2CCOC[C@H]2[C@H]2CCCN2C)c(C)n1-c1ccccn1	820459429	RTZKAKYXSAONRL-MOPGFXCFSA-N	368.481	2.424	10	10	FECE	
CCc1cccc(CNC[C@]2(CO)COCCN2Cc2ccccc2)c1O	827533795	YDCBJOYUJDCQKM-QFIPXVFZSA-N	370.493	2.308	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)NCC2CCC(S(C)(=O)=O)CC2)c1	903153355	FPWHEAVRWLITDS-OPFPJEHXSA-N	369.483	2.433	10	10	FECE	
Cc1ccc(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)nn1	839718641	VJTDNMMALLSISU-UHFFFAOYSA-N	365.481	2.247	10	10	FECE	
C[C@]1(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C[C@H]2CC[C@H]1O2	837710284	LMEUZCIMKXABCT-NRXGSXMXSA-N	366.408	2.375	10	10	FECE	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cn1ccnc1	834514185	KEXPDFIHCKKNDS-UHFFFAOYSA-N	358.442	2.272	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](CO)[C@H](O)c1ccccn1	913580785	QQKCRVFUMVIPRQ-NVXWUHKLSA-N	371.462	2.375	10	10	FECE	
O=C(Nc1ccc(O)c(CNC(=O)[C@H]2CCSC2)c1)[C@@H]1CCSC1	923120127	QOWDQFHEQMGJSU-NWDGAFQWSA-N	366.508	2.453	10	10	FECE	
CC(C)(C)OC(=O)NC1CCN(CCNC(=O)c2cc(O)cs2)CC1	927842124	JUQQVDOHSOXJHR-UHFFFAOYSA-N	369.487	2.173	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CCS1	929804254	LEVQIUWNFLCJGU-BBRMVZONSA-N	361.511	2.086	10	10	FECE	
O=C(COC(=O)/C=C\c1ccc(O)c(O)c1)Nc1ccc2c(c1)OCO2	759596433	VHXXNAXUBUYQRH-KXFIGUGUSA-N	357.318	2.022	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N(C)C3CCC(CO)CC3)C2)cc1	854300532	VIFRQHNAIBFWEV-AQFXKWCLSA-N	361.486	2.466	10	10	FECE	
Cc1cc(C)c([C@@H](C)N[C@@H]2CCN(c3ccc4nncn4n3)C2)c(O)c1	858490137	UNGCMBNLJGJPJD-HUUCEWRRSA-N	352.442	2.376	10	10	FECE	
COC(=O)c1ccc(O)c([C@@H](C)NCCC2(CS(C)(=O)=O)CC2)c1	850485145	BRXXJWORRDIVTQ-GFCCVEGCSA-N	355.456	2.044	10	10	FECE	
c1cc(N2CCSCC2)ccc1CNCc1cn(C[C@@H]2CCOC2)nn1	865417324	GVCJENCXLDQNDY-KRWDZBQOSA-N	373.526	2.158	10	10	FECE	
CCN(CC(=O)NC)C(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	767923292	XUVREWANRBXQOG-UHFFFAOYSA-N	370.497	2.002	10	10	FECE	
O=C(NCCNC(=O)N1Cc2cccc(O)c2C1)OCc1ccccc1	1123687488	YOSGIXJYCOBHFU-UHFFFAOYSA-N	355.394	2.344	10	10	FECE	
CCOC(=O)[C@H](F)C1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1	897843502	YWRBUKNUIAFLJH-CQSZACIVSA-N	353.371	2.286	10	10	FECE	
Cc1cc(CCNC(=O)N(C[C@@H](C)O)[C@H](C)CO)c(C)n1-c1ccccc1	785862186	ODDQICPAUJVZTG-IAGOWNOFSA-N	373.497	2.410	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3n[nH]cc3C(F)(F)F)cc2)CC1	899212874	YRGYIWRIYROQBZ-UHFFFAOYSA-N	367.375	2.110	10	10	FECE	
CNC(=O)CSCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C	799309500	QUJPOOVUDHZUNC-UHFFFAOYSA-N	360.435	2.485	10	10	FECE	
CC(C)(C)OC(=O)N[C@@](C)(C(=O)NCCc1ccc(O)c(O)c1)C1CC1	1962850763	JIOFXYFFEYFDEC-LJQANCHMSA-N	364.442	2.450	10	10	FECE	
CNC1CCN(C(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CC1	1326473808	OFSVRKPCOQSKGK-UHFFFAOYSA-N	373.497	2.264	10	10	FECE	
CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1	1449077586	QWAKIVRMZRXVBK-OAHLLOKOSA-N	364.442	2.500	10	10	FECE	
COc1ccc(CNC(=O)c2c[nH]c3cc(F)c(F)cc3c2=O)c(O)c1	1448378253	AWCDCKOMZGGRGN-UHFFFAOYSA-N	360.316	2.451	10	10	FECE	
O=C(NN1C(=O)c2ccc(Br)cc2C1=O)c1cc(O)cs1	1299971187	LKQKXVRWVXZJEW-UHFFFAOYSA-N	367.180	2.157	10	10	FECE	
CC(C)(C)OC(=O)N1[C@@H](CNC(=O)c2cccc(O)c2O)COC1(C)C	2118190733	XQTPJJOLAQBSMF-NSHDSACASA-N	366.414	2.200	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)NCCN3CCNC3=S)c2C)c1	1608342197	DWARQNMDSLJIRG-UHFFFAOYSA-N	356.495	2.322	10	10	FECE	
C[C@@H](NCC(=O)Nc1cc(S(C)(=O)=O)ccc1F)c1ccccc1O	1473724549	VERWXNLJRWZDCT-LLVKDONJSA-N	366.414	2.224	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3csc(NC4CC4)n3)cc2)CC1	1471562952	BKGAQLHTFZXMHR-UHFFFAOYSA-N	371.510	2.399	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(OC)nc1	1631531697	ZHXBJOFTEOVQDY-UHFFFAOYSA-N	364.785	2.265	10	10	FECE	
O=C(CNC(=O)OCc1ccccc1)NCc1ccc2cccnc2c1O	1630531908	DWQWQOMSLJETNM-UHFFFAOYSA-N	365.389	2.483	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C	2124151540	BVRYGYUDFGCWIR-NFAWXSAZSA-N	364.442	2.282	10	10	FECE	
COC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)/C=C/c1ccc(C)nc1	1595591295	USSVEDVCSAZGAD-VMPITWQZSA-N	351.362	2.175	10	10	FECE	
CC[C@@H]1C[C@H]1C(=O)N(C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1	1680173688	ZFPVTNWCWPURJP-YWPYICTPSA-N	359.430	2.472	10	10	FECE	
C[C@H](N[C@@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1O	1918670918	MYNLMXBSMGNADC-RYUDHWBXSA-N	352.431	2.119	10	10	FECE	
COc1cc(Cl)cc(CN[C@@H](CO)CNC(=O)OC(C)(C)C)c1O	2011426605	PVJKZCYCJHYSMA-GFCCVEGCSA-N	360.838	2.029	10	10	FECE	
CNCc1ccc(N2CCS(=O)(=O)[C@H](C)[C@@H]2C)cc1Br	2170258331	YFNWZKVYMJVZQN-WDEREUQCSA-N	361.305	2.180	10	10	FECE	
COc1nsc([C@H](NCCCN=[N+]=[N-])C(=O)O)c1Br	690070377	YHPAOUOUWXPHAM-LURJTMIESA-N	350.198	2.330	10	10	FECE	
Nc1ccc(OCC(=O)NCC[C@@H]2CN(Cc3ccccc3)CCO2)cc1	380696782	GEKFWHQTKZUBPA-HXUWFJFHSA-N	369.465	2.055	10	10	FECE	
C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H]1CNC(=O)OC(C)(C)C	870370349	MZBRXJFAKZMKGX-RYUDHWBXSA-N	350.415	2.331	10	10	FECE	
CN(CCc1nc(=N[C@@H]2CCc3cccc(O)c32)[nH][nH]1)C(=O)OC(C)(C)C	2185280034	ROECKZRXTJRNMN-CYBMUJFWSA-N	373.457	2.441	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)CO1	2060612935	LTHFEORCXYMMJD-UPJWGTAASA-N	353.423	2.312	10	10	FECE	
CO[C@H]1C[C@H](C(=O)N2CCC[C@H](N=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060611344	RWTPECYGXDWXKT-RWMBFGLXSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2073943303	KRKGLQMMDBWFKU-UPJWGTAASA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@H](N2CCCc3cc(CN)ccc32)[C@H](O)C1	2109470635	VXQISRIPYSHRML-RYQLBKOJSA-N	361.486	2.315	10	10	FECE	
[N-]=[N+]=NC[C@H]1CCN(S(=O)(=O)Cc2ncsc2Br)C1	2226128307	IIJRKCKEPZFJGZ-SSDOTTSWSA-N	366.266	2.368	10	10	FECE	
CCn1ncc(NC(=O)c2cccc(O)c2O)c1I	2265310947	ZYFYRIBFFCAGMK-UHFFFAOYSA-N	373.150	2.171	10	10	FECE	
COc1cccc(N2C(=O)NC(=O)C(=CNCc3ccccc3F)C2=O)c1	2297317977	UOKYTSSZIYCJHC-UHFFFAOYSA-N	369.352	2.091	10	10	FECE	
CCN(CC)N=Nc1ccc(S(=O)(=O)N2CCS[C@H]2C(=O)O)cc1	254046644	HVTGWLSYXUIULO-ZDUSSCGKSA-N	372.472	2.175	10	10	FECE	
COc1cc(O)c(CNC[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1OC	282845193	DAKBVFQNZVSZQP-SCLBCKFNSA-N	351.443	2.067	10	10	FECE	
O=C1Nc2ccccc2[C@@H]1CCN1C(=O)CN(Cc2ccccc2O)C1=O	819165035	NQIGRZHSPAJYNU-HNNXBMFYSA-N	365.389	2.282	10	10	FECE	
CCN(CC)C(=O)Cn1nc(Cc2ccc(N)cc2)c2ccccc2c1=O	821187457	WBXRFNUYKQAKLC-UHFFFAOYSA-N	364.449	2.438	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)N[C@@H](C)C3CCCC3)C2)cc1	828108666	NQHLXIMLSSRYBH-GOEBONIOSA-N	359.470	2.085	10	10	FECE	
NCc1nc2c(s1)CCN(Cc1ccc(N3CCOCC3)c(F)c1)C2	903941271	VJODPYFIDBZWRT-UHFFFAOYSA-N	362.474	2.136	10	10	FECE	
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	907102897	BUJQGRICBCVBGG-YESZJQIVSA-N	361.438	2.489	10	10	FECE	
NC[C@@H]1CCCC[C@H]1NC(=O)NCc1cc(Br)ccc1O	841947242	DLQWAGOEVBKUIA-GXFFZTMASA-N	356.264	2.471	10	10	FECE	
COCc1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)o1	917833156	NCKBFDPTAPMQJS-OAHLLOKOSA-N	371.437	2.058	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CCC[C@]4(C3)CC4(F)F)nc12	844438958	UYBZPUMZVAIHJL-MRXNPFEDSA-N	366.368	2.233	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC[C@H]([C@@H]2CCOC2)C1	749557200	FFUGINBLEJNYNO-RBUKOAKNSA-N	359.514	2.460	10	10	FECE	
CN(C)[C@@H](CCN1C(=O)CN(Cc2ccccc2O)C1=O)C(F)(F)F	925239127	KAPQCQODZCQDOR-ZDUSSCGKSA-N	359.348	2.039	10	10	FECE	
Cc1cc(F)c(CNC(=O)C(=O)NCc2ccc(N(C)C)cc2)c(F)c1	929237296	QHCXQAPLPYRMPI-UHFFFAOYSA-N	361.392	2.272	10	10	FECE	
COC(=O)Cc1occ(C)c1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	855226726	QVUJWPRMBDEWKP-AWEZNQCLSA-N	372.421	2.321	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)N1Cc2cccc(O)c2C1	871204935	LPHQOGIDAPWNIL-AWEZNQCLSA-N	362.426	2.260	10	10	FECE	
COc1ccc(CNC(=O)c2nn3c(c2Br)CCC3)c(O)c1	897628416	CHMLQXGIQABPSR-UHFFFAOYSA-N	366.215	2.236	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cn(C)nc1C(C)C	796828435	KVEZASGWIOVHNL-UHFFFAOYSA-N	357.458	2.173	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(CNCc2cc(F)cc(F)c2O)CCOC1	708517796	TWUAFWPMECKXSL-KRWDZBQOSA-N	358.385	2.444	10	10	FECE	
C[C@@H](NC(=O)C(=O)NCCc1ccc(N)cc1)c1ccc2c(c1)CCCO2	1330649359	SJVNNBJZPOIPQM-CQSZACIVSA-N	367.449	2.130	10	10	FECE	
COC[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)[C@H]1CCCOC1	1262107206	GGZFQMYYGMTMBU-HKUYNNGSSA-N	365.493	2.109	10	10	FECE	
CN(C)C(=O)CCn1c(CC2CC2)nnc1N(C)Cc1ccccc1O	1516966221	OTCUBXLRVPAEDJ-UHFFFAOYSA-N	357.458	2.051	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1	1296899172	CYSLSDDBPUKHSE-OAHLLOKOSA-N	355.394	2.063	10	10	FECE	
CN(Cc1cc(Cl)cc(Br)c1O)C1(C(=O)O)COC1	2116489676	DHESHDMLJMAHGD-UHFFFAOYSA-N	350.596	2.094	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCN(C(=O)Nc2ccccc2)C1	1296899169	CYSLSDDBPUKHSE-HNNXBMFYSA-N	355.394	2.063	10	10	FECE	
CN1C(=O)CS/C1=C\C(=O)Nc1c(-c2ccccn2)nc2ccccn12	1468659634	QTBXPIKLXJBAON-YBEGLDIGSA-N	365.418	2.381	10	10	FECE	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cc2cccn2cn1	1535346376	UYZBHNKSONEMHB-UHFFFAOYSA-N	372.375	2.379	10	10	FECE	
COC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)/C=C/c1cncc(F)c1	1460484080	OGLSDJTZZCBQIA-GORDUTHDSA-N	355.325	2.006	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H](NS(C)(=O)=O)C(C)C)cc1	1463775202	IEGRBFPWMUNENC-KRWDZBQOSA-N	369.531	2.065	10	10	FECE	
C[C@@H]1CN(c2ccc(NC(=O)Cc3ccc(O)c(O)c3)cn2)C[C@@H](C)O1	1618633448	CZZDIEZIFCLBEE-CHWSQXEVSA-N	357.410	2.288	10	10	FECE	
CCN1CCN(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)[C@H](C)C1	1478859813	IDOUHGICXFJEOA-SJORKVTESA-N	360.502	2.257	10	10	FECE	
CO[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1O	1554598286	NJFJNNFFGVYEMC-CYBMUJFWSA-N	356.430	2.056	10	10	FECE	
C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NCc1c(O)ccc2ccccc12	1635965221	RFCZLHNJNFTGBW-DJJJIMSYSA-N	370.449	2.217	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@H](CO)C[C@H](O)c2ccccc2)cc1	1633381488	HIWOQTIMXQSJAP-HOTGVXAUSA-N	356.382	2.063	10	10	FECE	
Cc1nc(O)nc(O)c1CC(=O)N(Cc1ccco1)Cc1ccccc1O	1631142988	CQLBSXOBCAVTPP-UHFFFAOYSA-N	369.377	2.266	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CCC(N=[N+]=[N-])CC3)[C@@H]2C1	2124536562	RQNVUQBINZKZRX-IHRRRGAJSA-N	365.434	2.170	10	10	FECE	
C[C@H](CC(N)=O)N(C)c1nnc(C2CC2)n1Cc1ccc(N(C)C)c(F)c1	1741807866	CLJJRNMLLNAZNN-GFCCVEGCSA-N	374.464	2.109	10	10	FECE	
CS(=O)(=O)C[C@@H](NC(=O)NCc1c(O)cccc1F)c1ccccc1	1681067822	FIOLNYFSDATWFQ-OAHLLOKOSA-N	366.414	2.116	10	10	FECE	
CCc1nnc(NC(=O)CCCN2C(=O)[C@@H](CC)SC2=S)s1	11636319	BRZJZVIZUIQOTL-MRVPVSSYSA-N	358.514	2.458	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1CC(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2131406034	QYHFZJNBKNCVTC-HZSPNIEDSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)CC1	2132411055	RURDMIUMONDCAF-GFCCVEGCSA-N	366.414	2.323	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNC(=O)COc1ccc(N)cc1	1905991818	NYSUTIXKPBIIAT-VBNZEHGJSA-N	361.442	2.019	10	10	FECE	
Cc1cccc(CNC(=O)[C@H]2CCOC[C@H]2NC(=O)OC(C)(C)C)c1O	2139749942	AOLQDOWAVPNRCF-LSDHHAIUSA-N	364.442	2.247	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@](C)(O)C(C)(C)N	1952209057	PYJPROXFDNDQDG-KSSFIOAISA-N	354.447	2.022	10	10	FECE	
COC1(CN[C@@H](C)c2c(O)cccc2O)CN(C(=O)OC(C)(C)C)C1	2040144732	DEZNPAWOMKAZMP-LBPRGKRZSA-N	352.431	2.384	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN(C)Cc3ccccc3)CC2)cc1	750619596	CALORCHYTCYWLN-OAQYLSRUSA-N	369.509	2.310	10	10	FECE	
CCN(CCCNC(=O)COc1ccc(N)cc1)C(=O)OC(C)(C)C	2044207704	DKIWKEXOSCAZCE-UHFFFAOYSA-N	351.447	2.411	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)NCCCCN=[N+]=[N-])[C@@H](O)C(C)(C)C	2072688161	KDPRVVHUMCQRSW-VXGBXAGGSA-N	357.455	2.493	10	10	FECE	
CN(C(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc(N)cc1	2106667252	UZINIHRRAGPJSD-UHFFFAOYSA-N	362.474	2.221	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@H](CCNC(=O)COc2ccc(N)cc2)C1	2113230152	FQUIZBGCPAEMMD-CTYIDZIISA-N	363.458	2.457	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12CO[C@](C(=O)N[C@H]3CCC[C@@H]3N=[N+]=[N-])(C1)C2	2225791399	CYOOAGZTFNWUJO-MWDDYTRKSA-N	365.434	2.408	10	10	FECE	
CSc1ncc(CNS(=O)(=O)c2ccc(C(=O)O)s2)s1	2284544409	PCSJUNMCXAWAMU-UHFFFAOYSA-N	350.468	2.103	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2	2277483396	WGEXESMFDHXZNR-UHFFFAOYSA-N	363.422	2.475	10	10	FECE	
COc1ccccc1NC=C1C(=O)NC(=O)N(c2ccccc2F)C1=O	2297592230	CZWWQXYXYBBROQ-UHFFFAOYSA-N	355.325	2.413	10	10	FECE	
CSC1(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CN(C(=O)OC(C)(C)C)C1	2300114408	AXVXKILDGYIARC-NSHDSACASA-N	355.464	2.498	10	10	FECE	
c1ccc(COc2ccc(N3CCOC[C@@]4(COCCN4)C3)cc2)cc1	2336055287	YWBRELUWVWSDTD-NRFANRHFSA-N	354.450	2.461	10	10	FECE	
[N-]=[N+]=N[C@H]1C[C@H](n2cnc3c(Nc4ccccc4)nc(N)nc32)O[C@@H]1CO	32036786	XHUAXCHRFNFVTF-QJPTWQEYSA-N	367.373	2.111	10	10	FECE	
CC[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CCN1C[C@H](C)O	248489716	NBGQLFOFYIJDFU-PKOBYXMFSA-N	372.513	2.049	10	10	FECE	
O=C1COC[C@@H](C[C@@H]2CN(C(=O)c3cc(O)cs3)c3ccccc32)N1	807800594	JIEHVODBJPIVTK-VXGBXAGGSA-N	358.419	2.103	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Nc3nnc4ccccn34)C2)cc1	820934957	KYCQRTIMBBCZNE-CYBMUJFWSA-N	352.398	2.138	10	10	FECE	
C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H](O)C(C)(C)O)cc2Cl)C1	908012054	FXYRMQLRANPFOR-WBMJQRKESA-N	354.878	2.324	10	10	FECE	
CC1(C)Oc2ccc(C(=O)O)cc2N(OCCOc2ccc(N)cc2)C1=O	821299507	LHJZZOLCPOFNLH-UHFFFAOYSA-N	372.377	2.482	10	10	FECE	
C[C@@H](NC(=O)N(C)[C@@H]1CCN(C2CC2)C1)c1ccc(N2CCOCC2)cc1	732457287	YDPGABINOFMYHV-OXQOHEQNSA-N	372.513	2.462	10	10	FECE	
COCCCN(C/C=C\c1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1	835024647	ACJMIOFTBNNWGR-UTSMFGRCSA-N	366.527	2.291	10	10	FECE	
CC(C)Cn1ccnc1CNC(=O)NCc1ccc(N2CCOCC2)cc1	743558615	AROKFMGYELQCQY-UHFFFAOYSA-N	371.485	2.375	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=N)NC[C@H]3CCCO3)cc2F)C[C@@H](C)O1	849014545	SIUNADSOHUVGOD-IJEWVQPXSA-N	364.465	2.232	10	10	FECE	
COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1c(O)cc(C)cc1Cl	840921491	TZBWVDRQWXFZBG-RRCSTGOVSA-N	367.829	2.279	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)CC3CC(F)(F)C3)C2)cc1	849417318	PEARUAMWLXKGLO-ZDUSSCGKSA-N	360.426	2.239	10	10	FECE	
CC[C@@H](CN1CCCC1)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	853854867	VHXTVFOMDMKSHG-DLBZAZTESA-N	360.502	2.448	10	10	FECE	
Cc1ccc(S(=O)(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)c(F)c1F	858611180	ILOMIGHHEYGLKC-CQSZACIVSA-N	369.437	2.318	10	10	FECE	
CCOC1(C(=O)NCc2cc(Br)ccc2O)CCOCC1	854442106	HCPIGSPBWRRWDQ-UHFFFAOYSA-N	358.232	2.357	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3C[C@@]45CCCC[C@]4(COC5)C3)cc2N1	853990080	XSQAJGYRLOWQPN-QZTJIDSGSA-N	359.382	2.323	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCO[C@H]([C@@H]3CCCO3)C2)c([N+](=O)[O-])c1	756972107	CNAIVRAFPHZDKC-GECAAYIISA-N	362.382	2.165	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CC(CC4CC4)C3)cc2)C1	856844155	KORJFHNOLRJOOM-SFHVURJKSA-N	370.497	2.330	10	10	FECE	
O=C(NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1)c1cccc(O)c1O	862790749	VEBVKVQAQNAQNQ-CQSZACIVSA-N	362.813	2.386	10	10	FECE	
CC(C)C1(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1	866430591	SIQLUODCLZUTJR-UHFFFAOYSA-N	352.500	2.473	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc([N+](=O)[O-])cc1N	1135946224	KLDLDUZMDNWCSZ-UHFFFAOYSA-N	370.409	2.286	10	10	FECE	
COC(=O)[C@@H]1[C@@H](CNC2CCN(c3ccc(OC)cc3)CC2)C1(F)F	894216916	WQCVUTOJYPIAGG-CVEARBPZSA-N	354.397	2.308	10	10	FECE	
C[C@@H]1COCCN1CCn1c(C2CC2)nnc1N(C)Cc1ccccc1O	1305233828	GEJVSYSERYOGMH-OAHLLOKOSA-N	371.485	2.218	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)CCOCC(F)(F)F	1162539830	MWYPCQDLDASPAW-UHFFFAOYSA-N	363.332	2.253	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1	1162271633	LVISATQDQDPTDV-UHFFFAOYSA-N	354.322	2.122	10	10	FECE	
COc1ccc([C@@H](C)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(O)c1	1918994651	VBEXMOVCSMJUMY-BFUOFWGJSA-N	366.458	2.423	10	10	FECE	
COC(=O)c1c(CN2CCC(OCCO)CC2)c2cc(F)ccc2n1C	1332692511	VRWPRTWOLDTHQE-UHFFFAOYSA-N	364.417	2.077	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)Cc2nc(C3CCOCC3)n[nH]2)cc1	1345643934	WRGHPWDCLMENCN-UHFFFAOYSA-N	371.485	2.404	10	10	FECE	
CN1CCc2cc(CN[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)ccc21	2116261186	ITXPEVTUPYTVIS-SJLPKXTDSA-N	361.486	2.139	10	10	FECE	
COC(=O)[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(OC)c(Cl)c1	1467228079	MJXITQXLLXESGI-AWEZNQCLSA-N	365.769	2.404	10	10	FECE	
CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O	1465386412	AVDRUUKMRVMNMD-KBPBESRZSA-N	366.443	2.277	10	10	FECE	
C[C@H](NC(=O)/C=C/[C@H]1COC(C)(C)O1)c1ccc(N2CCOCC2)cc1	1542402969	FHXDEEKRFDFSCV-CLGUQGEQSA-N	360.454	2.408	10	10	FECE	
Cn1nc(Br)cc1C(=O)NCc1ccc2cccnc2c1O	1627072657	CXDVZXCCXITHMM-UHFFFAOYSA-N	361.199	2.366	10	10	FECE	
Cc1[nH]nc(C(=O)N(C)Cc2ccccc2O)c1I	1629955233	YQOMKMCRYVEWRY-UHFFFAOYSA-N	371.178	2.301	10	10	FECE	
O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCc1cc(O)ccc1O	1637122778	PBBMNQRLNSOIJO-UHFFFAOYSA-N	357.362	2.148	10	10	FECE	
CC(C)NS(=O)(=O)c1ccc(C(=O)NCc2c(O)cccc2F)cc1	1645048146	IOJKEYZLHYSMKO-UHFFFAOYSA-N	366.414	2.148	10	10	FECE	
COc1cccc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1	1648478162	SIELIIHBXDXYBK-GOSISDBHSA-N	356.470	2.118	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCC(N=[N+]=[N-])CC2)C[C@H]2OCC[C@@H]21	2124503475	LMFIWXZDCXJHOD-MELADBBJSA-N	365.434	2.455	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCO[C@H]2c2ccc(O)nc2)c1	1684638769	SJIGLWHKFMCRFZ-POHZPAGDSA-N	373.409	2.392	10	10	FECE	
CCc1nnc(NC(=O)CCCN2C(=O)[C@H](CC)SC2=S)s1	11636318	BRZJZVIZUIQOTL-QMMMGPOBSA-N	358.514	2.458	10	10	FECE	
CC(C)(C)c1ccc(C(=O)NCCNC(=O)c2cc(O)c(O)c(O)c2)cc1	169839023	WCVYVPRSGRVPQZ-UHFFFAOYSA-N	372.421	2.261	10	10	FECE	
C[C@H](NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1O	827964320	KVFIKYPCQGPKGO-AWEZNQCLSA-N	363.458	2.122	10	10	FECE	
C[C@@H]([C@H](O)c1ccc2c(c1)CCN2C)N1CC(NC(=O)OC(C)(C)C)C1	2131764868	CMVKLKJRUOTDLH-UGSOOPFHSA-N	361.486	2.310	10	10	FECE	
C[C@H]1[C@H](C)CN1C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136256141	MXAKXMZEXZVGFQ-DYEKYZERSA-N	364.442	2.400	10	10	FECE	
COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NCc2cc(C)ccc2O)C1	1967843833	SESAVBKXSLWWSN-QUWSVYMGSA-N	364.442	2.389	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C[C@H](N)C(C)(C)O	1951991922	CXOSWYYLMJSWAT-DOMZBBRYSA-N	354.447	2.022	10	10	FECE	
CCCN[C@H]1C(=O)Nc2cc(N(CC(=O)NC)Cc3ccccc3)ccc21	2152241716	WWDDELUILGLMQR-HXUWFJFHSA-N	366.465	2.432	10	10	FECE	
O=C1Nc2cc(N3C[C@H]4CSC[C@H]4C3)c(Br)cc2[C@H]1O	711548729	VQCFVPMAPDTJFX-BFHDXFOESA-N	355.257	2.234	10	10	FECE	
CN(C[C@H](O)COc1ccc(N)cc1)C[C@H]1CCN(Cc2ccccc2)C1	383262698	LYABUUYPDZSWRO-CTNGQTDRSA-N	369.509	2.462	10	10	FECE	
Cc1cccc(O)c1CN[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO	2052724067	YODXCOUMOVEWAZ-ZBFHGGJFSA-N	350.459	2.408	10	10	FECE	
CO[C@H]1C[C@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060615746	RWTPECYGXDWXKT-FRRDWIJNSA-N	353.423	2.312	10	10	FECE	
CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(N)cc1	2106673129	ZFHKKSOWFUPEBY-INIZCTEOSA-N	363.458	2.253	10	10	FECE	
CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(Cc2cc(N)ccc2O)C1	2106669985	WCAUYJMPFOATCH-INIZCTEOSA-N	365.474	2.168	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)[C@H](NC(=O)OC(C)(C)C)C1COC1	2106856506	ZVFBNBJLUQZGTJ-QZTJIDSGSA-N	361.486	2.479	10	10	FECE	
CN1CCc2cc([C@H](N)CN3CC[C@H](NC(=O)OC(C)(C)C)C3)ccc21	2113004704	AVYQNNMGAOGPEK-DLBZAZTESA-N	360.502	2.278	10	10	FECE	
C[C@@H]1OC2(C(=O)N3CC[C@@H](CN=[N+]=[N-])C3)CC1(NC(=O)OC(C)(C)C)C2	2266071082	VBGHIJVUPLFMPF-MQAIEQDTSA-N	365.434	2.360	10	10	FECE	
C[C@@H](N)c1ccc(N2CC(S(=O)(=O)C(F)F)C2)cc1Br	2206706469	PNWWUUGKWPDFJI-SSDOTTSWSA-N	369.231	2.295	10	10	FECE	
COc1ccc(N2C[C@@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c(OC)c1	2219646163	YJKGIKPROHTZIF-STQMWFEESA-N	352.431	2.168	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@@]2(C(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2278990554	WOKBJOBDXGUHSF-GDZNZVCISA-N	365.434	2.314	10	10	FECE	
COC(=O)[C@H](C)N1C(=O)C(=Cc2cc(OC)ccc2OC)SC1=S	2297465462	HXPMDJWREVGHAM-VIFPVBQESA-N	367.448	2.467	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H]1COC[C@@H]1N(CC)C(=O)OC(C)(C)C	2315992002	GCOLPVUAOHNWKS-OLZOCXBDSA-N	355.439	2.417	10	10	FECE	
COc1ccc(O)c(CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)c1	114590518	RKRHVRIIYYVPCB-QGZVFWFLSA-N	357.454	2.373	10	10	FECE	
O=C(NN1C(=O)/C(=C\c2cccnc2)SC1=S)c1ccc(O)cc1	34377720	ULQZQJYUIFOLEN-MDWZMJQESA-N	357.416	2.333	10	10	FECE	
C[C@@H]1CN(Cc2cccc(Br)c2O)C[C@H]1N1CCOCC1	245784935	VABBIJHXLARSKF-IUODEOHRSA-N	355.276	2.307	10	10	FECE	
CCN(CC)c1nccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)n1	244236738	WEWBSXTWIMPFJM-UHFFFAOYSA-N	369.469	2.294	10	10	FECE	
Cc1cc(N2CCC[C@@H](NCc3ccc(N4CCOCC4)cc3)C2)n(C)n1	364679196	RHUBSZLDEPOBCG-LJQANCHMSA-N	369.513	2.324	10	10	FECE	
COCCOCCCNC(=O)NCc1cc(Br)ccc1O	806726614	AIWAXDBJWMOMQF-UHFFFAOYSA-N	361.236	2.007	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CN(CCC(=O)Nc3ccc(N)cc3)C[C@H]2C1	2163041990	ISWYWZKJKBPBPL-GJZGRUSLSA-N	374.485	2.396	10	10	FECE	
COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1ccc2ccccc2c1O	816520895	ARZKPYBJAVYRGC-BRSBDYLESA-N	369.417	2.470	10	10	FECE	
COC(=O)c1ccnc(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	819587736	PCHGZCZPPKXZHB-AWEZNQCLSA-N	369.421	2.133	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3(C(F)(F)F)CC3)cc2)C1	726144777	XQLFDUFPSSDGQT-CYBMUJFWSA-N	369.387	2.347	10	10	FECE	
Cc1cc(CC(=O)N2CCN(C[C@@H](C)O)CC2)c(C)n1-c1ccccc1	826646478	FCUALEUVQHRGEF-QGZVFWFLSA-N	355.482	2.162	10	10	FECE	
CCN(CC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C)Cc1cn(C)nn1	828765731	FPJROSOHRAOQMJ-UHFFFAOYSA-N	370.432	2.462	10	10	FECE	
COc1cccc2c(C(=O)N3CCOc4cc(N(C)C)ccc43)cnn12	900896303	VWXMLJVRCNSFIO-UHFFFAOYSA-N	352.394	2.448	10	10	FECE	
COc1cc(Br)cc([C@H](C)N[C@@H](CO)c2cnn(C)c2)c1O	848536723	UMDFBHXFKACTCS-ZANVPECISA-N	370.247	2.281	10	10	FECE	
C[C@H]1CN([C@@H](C)CNC(=O)NCc2ccc(N(C)C)c(F)c2)C[C@@H](C)O1	847303477	SOHDZAMHTCSSBY-SOUVJXGZSA-N	366.481	2.189	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NCCCn2ccnn2)c1O	848545536	YINOXGXNMIFVTG-SNVBAGLBSA-N	355.236	2.496	10	10	FECE	
COCc1cc(O)ccc1NS(=O)(=O)CCOc1ccc(F)cc1	840915582	REWKLYLLLNDLNI-UHFFFAOYSA-N	355.387	2.498	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN[C@H]2CCC[C@H]2Cc2cnn(C)c2)cc1	852561994	YVCQFNYTLIDEBX-ICSRJNTNSA-N	369.513	2.103	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC=C[C@H]2CO)C1	922277690	MOJIQOLWJMCWIH-INIZCTEOSA-N	353.466	2.167	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](C)C(=O)OC(C)C)C2)cc1	852456624	ZQSNOKUUXNIONF-HUUCEWRRSA-N	363.458	2.161	10	10	FECE	
CC(C)(C)OC(=O)N(CC(F)(F)F)[C@H](C(N)=O)c1ccc(O)c(O)c1	698966327	IHBBFTRXXYPCII-NSHDSACASA-N	364.320	2.424	10	10	FECE	
C[C@@H]1C[C@H](C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)[C@@H](C)O1	868838510	HMVCNCARIYVYPP-BZPMIXESSA-N	354.397	2.231	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cncc(OC)c3C)CC2)c(OC)c1	870166839	WDXWRIHIRXEDTH-UHFFFAOYSA-N	371.437	2.378	10	10	FECE	
CCOC(=O)/C(=C/c1cn(Cc2ccc(OC)cc2)nn1)c1nccn1C	871658805	RTEUAYIPEIKDFO-GZTJUZNOSA-N	367.409	2.172	10	10	FECE	
S=C(NCc1cccc(N2CCOCC2)n1)Nc1ccc2c(c1)OCO2	774258592	PWSBGWAFIMRZDI-UHFFFAOYSA-N	372.450	2.134	10	10	FECE	
COc1cccc(CNC(=O)Cc2cccnc2Br)c1O	1137473807	WXCBYVAEXRSUCF-UHFFFAOYSA-N	351.200	2.417	10	10	FECE	
COC1CCN(C(C)(C)CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1	1147026846	PBEOSGAYRVKLAN-UHFFFAOYSA-N	361.446	2.468	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)cc1	1142790938	MGWFCUNWSLGSGV-INIZCTEOSA-N	365.393	2.380	10	10	FECE	
CC(C)(C)OC(=O)NCc1cc(C(=O)NCc2cc(O)ccc2O)ccn1	1153886188	ZQIHOMLTXJLJFB-UHFFFAOYSA-N	373.409	2.448	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cccc(CC)c1	1325761475	DZPOVTBBUBBXPQ-KRWDZBQOSA-N	371.433	2.493	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCC[C@@H]2CCCC2(F)F)cc1	1331633757	TZTCTMWRTPGKHO-AWEZNQCLSA-N	353.413	2.311	10	10	FECE	
CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@@H](C(N)=O)c1ccc(O)c(O)c1	698467957	JHKVJFQGNCPZSL-SWLSCSKDSA-N	366.414	2.040	10	10	FECE	
C[C@H](NC(=O)C(=O)N1CCC[C@H]1c1ccnn1C)c1ccc(N(C)C)cc1	1262269754	FKJBMKGAAXAZFT-KSSFIOAISA-N	369.469	2.027	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@H]2CCCOC2)n1CC(C)(C)O	1517148544	QACMGPWXIWNGOH-HNNXBMFYSA-N	360.458	2.285	10	10	FECE	
COc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c(O)c1	2116274853	RFWTZWCKVWIREN-HOCLYGCPSA-N	366.458	2.108	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)c1cnc2c(c1)NC(=O)CS2	1465030038	LSYQOILSLQLMLB-UHFFFAOYSA-N	356.451	2.430	10	10	FECE	
CC(C)Cn1nc(C(=O)NCc2ccc(O)cc2O)c2ccccc2c1=O	1469152990	OUGQCDMIVGLQTB-UHFFFAOYSA-N	367.405	2.394	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@H](O)CCOC(C)C	1615935436	MBOXDWJPFZGERG-OAHLLOKOSA-N	359.850	2.197	10	10	FECE	
COC(=O)[C@@H]1CCN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)C1	1711441047	KMWMYOMRSMTSOH-MRXNPFEDSA-N	357.458	2.009	10	10	FECE	
O=C(N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1c(F)ccc(O)c1O	1638530323	AHWIEISWXAGKNJ-QMMMGPOBSA-N	366.295	2.050	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N[C@@H](CO)c1ccccc1OC(F)(F)F	1568600917	YBZWCLQGLYYEDY-LBPRGKRZSA-N	371.311	2.389	10	10	FECE	
Cc1nc2ccnn2cc1C(=O)NCc1cccc(Br)c1O	1635839758	LDYLSVBCFWQKFG-UHFFFAOYSA-N	361.199	2.436	10	10	FECE	
C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1	1644526405	KZMYMOXGILASCR-FGTMMUONSA-N	358.530	2.316	10	10	FECE	
COC(=O)c1cnc(CNC(=O)N[C@H](C)c2cc(OC)ccc2O)s1	1676096399	HMTWNMOFRUBFQH-SECBINFHSA-N	365.411	2.204	10	10	FECE	
COC(=O)CCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1865957646	WQSGXGPCTPGHPG-SFHVURJKSA-N	361.486	2.349	10	10	FECE	
C[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CC[C@H]1NC(=O)OC(C)(C)C	2132392840	MWSOPZXPFGGBLT-CMPLNLGQSA-N	366.414	2.179	10	10	FECE	
COc1ccc(Br)c(CN[C@@H](C)[C@H](C)S(C)(=O)=O)c1O	1970407482	AEBVCYCGNSXPQT-IUCAKERBSA-N	366.277	2.075	10	10	FECE	
NC(=O)CN(Cc1ccc(N)cc1)C(=O)C1CC(OCc2ccccc2)C1	2160283711	INGGXCZMHXKHIC-UHFFFAOYSA-N	367.449	2.078	10	10	FECE	
COc1cc2c(cc1C=C1SC(=S)N(CC(=O)O)C1=O)O[C@@H](C)C2	2053589608	OFPYJUNKNVXQIC-QMMMGPOBSA-N	365.432	2.304	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2cccc(O)c2O)C1	2054401393	RKWGXITVIXYMQE-LBPRGKRZSA-N	350.415	2.427	10	10	FECE	
CC(C)(C)OC(=O)N1[C@@H](C(=O)N2CC[C@@H](N=[N+]=[N-])C2)COCC1(C)C	2060617632	PESFUNWTXMLGMW-VXGBXAGGSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)COc2ccc(N)cc2)[C@H](F)C1	2106228157	HOOUERYLUDLLDF-CABCVRRESA-N	367.421	2.111	10	10	FECE	
COC[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(Cc2cc(N)ccc2O)C1	2273809779	KJSGUUGXUQYQDX-BBRMVZONSA-N	365.474	2.336	10	10	FECE	
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(O)c3)C2=O)cc1	2296397842	AWVLKCXLDZZVLI-UHFFFAOYSA-N	352.346	2.327	10	10	FECE	
CSc1ncc(CN[C@@]2(C(=O)O)CN(C(=O)OC(C)(C)C)[C@@H]2C)s1	2306501193	QGGZTIDACJHIMT-PSLIRLAXSA-N	373.500	2.417	10	10	FECE	
COc1cc(Br)c(Br)c([C@@H](N)CCO)c1O	309575011	YIHMUTUMQXUEGG-LURJTMIESA-N	355.026	2.308	10	10	FECE	
CN[C@@H]1C(=O)Nc2cc(N3CCCO[C@@H](C)C3)c(Br)cc21	92775804	ATZHQZYKJYWSNU-XPTSAGLGSA-N	354.248	2.277	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)NCCC(C)C)CC2)cc1	243162558	JQERSOGGGRNDIQ-RBUKOAKNSA-N	373.497	2.142	10	10	FECE	
CN(C)S(=O)(=O)[C@@H]1CCCN(Cc2c(O)ccc(Cl)c2F)C1	368045093	UYCBONMNNSNWJI-SNVBAGLBSA-N	350.843	2.041	10	10	FECE	
C[C@@H](NC(=O)N1CCN(CC(F)(F)F)C(=O)C1)c1ccc(N(C)C)cc1	805308780	JVZSOYXSLZRHRZ-GFCCVEGCSA-N	372.391	2.230	10	10	FECE	
COc1cccc(CNC(=O)[C@@H](C[C@@H]2COCCO2)C(F)(F)F)c1O	830539840	AGUCKBGMHMCOLP-VXGBXAGGSA-N	363.332	2.001	10	10	FECE	
COC(=O)/C=C\c1ccc(N(C[C@H]2CCC(=O)N2)C(C)C)c([N+](=O)[O-])c1	840387322	OBWPPLZIMNZBHB-VYLZPFMQSA-N	361.398	2.274	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)[C@@H]3[C@H]4CCCC[C@H]43)CC2)cc1	746173415	DOHWMTZYPXLOOP-PMOLBWCYSA-N	357.498	2.370	10	10	FECE	
Cc1cc(CCNC(=O)CCN2C(=O)CCC2=O)c(C)n1-c1ccccc1	746429612	HVFKRAZATNHXAF-UHFFFAOYSA-N	367.449	2.292	10	10	FECE	
CCS[C@H]1CC[C@H](N(C)Cc2cc(O)n3ncc(C(=O)O)c3n2)C1	846255420	FUDRXNYSRXEOPC-RYUDHWBXSA-N	350.444	2.239	10	10	FECE	
CCS(=O)(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2O)cc1	751236564	XLTVSNHBMFCSGE-UHFFFAOYSA-N	369.464	2.007	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N[C@@H]3C[C@@H](O)C34CCC4)CC2)cc1	853644025	ZWXXRQWNXKPSMW-QZTJIDSGSA-N	359.470	2.267	10	10	FECE	
C[C@@H](NC(=O)Cn1cnc2c1CCCC2)c1ccc(N2CCOCC2)cc1	757889318	HAVYTGKASHPKQY-MRXNPFEDSA-N	368.481	2.476	10	10	FECE	
O=[S@@](CCNCc1ccc(N2CCOCC2)c(F)c1)CC(F)(F)F	850348998	XJAJDYKJUFCEMP-DEOSSOPVSA-N	368.396	2.063	10	10	FECE	
Cc1cn(C2CCOCC2)nc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	867302250	MHYBCTGSPPBSPD-CYBMUJFWSA-N	359.426	2.315	10	10	FECE	
O=C(NCc1cccc(Br)c1O)C1CN(CC(F)(F)F)C1	765729217	ZIENEECBTOHRDT-UHFFFAOYSA-N	367.165	2.265	10	10	FECE	
CCN(C)c1ccc(CN2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@@H]3C(=O)OC)cc1	773809544	SETJPAOHRZZFLF-XLAORIBOSA-N	360.454	2.068	10	10	FECE	
CNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	772998735	KCMZOIRQKLRCDJ-CYBMUJFWSA-N	361.467	2.152	10	10	FECE	
COc1ccc(N2CCCN(C(=O)C(C)(C)c3cnn(C)c3)CC2)cc1	783920519	URKUXCMTRZGVOR-UHFFFAOYSA-N	356.470	2.445	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCC[C@@H]3CCOC3)CC2)cc1F	784540305	DXMGWRYCJJZTOW-CQSZACIVSA-N	351.422	2.093	10	10	FECE	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cncc2nc[nH]c12	897953603	YCAYTSPMYHDTDJ-UHFFFAOYSA-N	373.363	2.003	10	10	FECE	
CCc1c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cnn1CC	1147953951	YONPNDVMIMRVCI-UHFFFAOYSA-N	374.460	2.496	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)NCc3cc(=O)c(O)co3)ccc21	1304513989	DBHBNUQJWMJEMN-UHFFFAOYSA-N	370.405	2.493	10	10	FECE	
COc1ccc(Br)c(CN[C@@H](C)[C@H](CO)SC)c1O	1964050018	XTWNNBUMEHOTFM-UFBFGSQYSA-N	350.278	2.365	10	10	FECE	
C[C@H]1[C@H](NCc2cc(Cl)cc(Br)c2O)CCS1(=O)=O	708137705	CRWSFGWYJZTVNA-WRWORJQWSA-N	368.680	2.473	10	10	FECE	
CC[C@@H](Cn1c(C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1)OC	1292174033	UNNIISJIYYPYBZ-IBGZPJMESA-N	373.501	2.485	10	10	FECE	
C[C@@H](NCC(=O)Nc1cc(-n2cnnn2)ccc1Cl)c1ccccc1O	1473723157	ZMXQYIPJIYOJDW-LLVKDONJSA-N	372.816	2.311	10	10	FECE	
NC(=O)[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1ccc(F)cc1	1633565901	FHMLYCZMOOJEML-HNNXBMFYSA-N	360.366	2.408	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCOC[C@@H]1NC(=O)OC(C)(C)C	2124304623	GHXHVKHDQKPOEA-CABCVRRESA-N	364.442	2.280	10	10	FECE	
C[C@@H](NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1)c1ccccc1O	1648889658	GVGSOTWQFBRGDY-SNVBAGLBSA-N	355.419	2.419	10	10	FECE	
CN(Cc1ccccc1O)C(=O)c1cc(CNC(=O)OC(C)(C)C)nn1C	1964874833	WKERFVYZINNXHU-UHFFFAOYSA-N	374.441	2.423	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NCc2ccc(N3CCCC3)cc2)C1	2126240094	NHYHJZOPNVMZMG-QZTJIDSGSA-N	361.486	2.357	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])OCC12CC2	2127540792	AWQYPMYLGFLOEO-OLZOCXBDSA-N	365.434	2.456	10	10	FECE	
CCN[C@H](c1ccccc1O)[C@@](C)(O)COCCNC(=O)OC(C)(C)C	1921946748	HYALEYCCXQWZNF-APWZRJJASA-N	368.474	2.335	10	10	FECE	
N[C@@]1(c2cc(Br)cc(Br)c2O)C[C@@H]1C(=O)O	1952775202	NVLFHBIPZVBKLX-LHLIQPBNSA-N	350.994	2.176	10	10	FECE	
CO[C@H]([C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C1(N)CC1	1952829134	IDIHCZKDDLKFKN-IUODEOHRSA-N	352.431	2.040	10	10	FECE	
CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NCc2cc(N)ccc2O)C1	1999479676	GIRATACIEDQDBJ-DEOSSOPVSA-N	355.460	2.192	10	10	FECE	
C[C@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C)c1cc(O)ccc1O	394439105	WQOCVLNTNKAERV-UONOGXRCSA-N	365.474	2.300	10	10	FECE	
COc1cccc(C2N3C[C@]4(C)CN2C[C@](c2ccccc2)(C3)[C@H]4O)c1O	2059113437	SKJBQIFBNOCULN-GEIYVISESA-N	366.461	2.349	10	10	FECE	
O=C(c1ccc(O)c(O)c1)N1CCC[C@H]2CC[C@@]21CNC(=O)C(F)(F)F	2174800274	NZANUSFLCGAPFP-MEDUHNTESA-N	372.343	2.161	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(O)c(O)c2)C1	2054407814	KGBXTSQKIRXBIX-LBPRGKRZSA-N	350.415	2.475	10	10	FECE	
CN1CCc2cc([C@@H](CN)N3C[C@@H]4C[C@H]3CN4C(=O)OC(C)(C)C)ccc21	2195097736	GLCJVFTYYFKAGH-JENIJYKNSA-N	372.513	2.372	10	10	FECE	
CN(C)CCN(CC(=O)N1CCC[C@@H]1CN=[N+]=[N-])C(=O)OC(C)(C)C	2060618293	XKBFHFWLXRGFRA-CYBMUJFWSA-N	354.455	2.086	10	10	FECE	
CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cccc(O)c1O	2084783117	KPIUTMXXJRWLNP-YPMHNXCESA-N	368.455	2.179	10	10	FECE	
C[C@H]1CN(CC(=O)N(C)c2ccc(N)cc2)CCN1C(=O)OC(C)(C)C	2106657327	DPLWMUIKVXIBFC-AWEZNQCLSA-N	362.474	2.173	10	10	FECE	
C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)COc2ccc(N)cc2)C1	2106781480	IHKDGRZHVRKVJA-ZFWWWQNUSA-N	363.458	2.409	10	10	FECE	
CCCN(CCS(C)(=O)=O)Cc1c(O)cccc1Br	2113786885	NDTUYWWPGQPGEN-UHFFFAOYSA-N	350.278	2.411	10	10	FECE	
CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)N3CCC(N=[N+]=[N-])CC3)(C1)C2	2254795609	JPQTZVBVMIKAJJ-WKILWMFISA-N	351.407	2.114	10	10	FECE	
COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)C1=Cc1cccc([N+](=O)[O-])c1	2294034698	ZALRTAMZVMDKLS-OAHLLOKOSA-N	372.377	2.446	10	10	FECE	
COc1ccc(C=C2C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc1	2297352856	GNEXATHGFHZOOH-UHFFFAOYSA-N	355.423	2.368	10	10	FECE	
COC(=O)C=Cc1ccc(N2CCC[C@@H](Cn3ccnn3)C2)c([N+](=O)[O-])c1	2303247755	MKOVEIKVCUNFJM-OAHLLOKOSA-N	371.397	2.289	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@@]3(O)CCN(C(=O)OC(C)(C)C)[C@@H]4C[C@@H]43)ccc21	2355669403	LPQVBEGHUATCIG-NWUWZPLHSA-N	373.497	2.439	10	10	FECE	
Cc1cc(C(=O)N2CC[C@H](N3CCOCC3)C2)c(C)n1-c1ccccn1	172753707	YWNBGSDVMHBDDL-KRWDZBQOSA-N	354.454	2.036	10	10	FECE	
Cc1ccc(C(=O)Nc2cccc(N3CCN(S(C)(=O)=O)CC3)c2)cc1	41375633	QIEFTUXMHWIDIV-UHFFFAOYSA-N	373.478	2.329	10	10	FECE	
C[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCCO1	80010750	FWQCCAMVECBNIM-ACJLOTCBSA-N	365.449	2.154	10	10	FECE	
Cc1cc(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)no1	92010780	CFINGISBPDUWKS-UHFFFAOYSA-N	354.454	2.445	10	10	FECE	
COc1ccc(N2CCN(c3ccnc(NC[C@H]4CCCO4)n3)CC2)cc1	243085114	ITARGUSUJMDGSB-GOSISDBHSA-N	369.469	2.403	10	10	FECE	
CC(C)N1C[C@@H](C)[C@@H](NC(=O)/C=C\c2ccc(N3CCOCC3)cc2)C1	255525442	UNGYCYURNAFWAC-ZODOCNFASA-N	357.498	2.381	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cccnc1OC	283917249	FIZNTYLGJQKUQH-UHFFFAOYSA-N	371.437	2.241	10	10	FECE	
Cc1cc(C(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)c(C)n1-c1ccccn1	285840172	JUMIVJZPRWFKIK-NVXWUHKLSA-N	359.470	2.377	10	10	FECE	
COCCN(C(=O)OC(C)(C)C)[C@@H](C(N)=O)c1ccc(N(C)C)cc1	700606453	VEZBTKAXCIDSSB-OAHLLOKOSA-N	351.447	2.163	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)c1cc2c(cn1)OCCO2	819125148	GIQCYYZOVNDKLR-UHFFFAOYSA-N	371.462	2.336	10	10	FECE	
CN1CCCc2cc(CNC(=O)c3cccc4nc(CO)[nH]c34)ccc21	906456040	YOCNSERGMUOULM-UHFFFAOYSA-N	350.422	2.368	10	10	FECE	
CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)[C@H]1n1cccn1	836220212	VDKLRGBFURODLT-KZNAEPCWSA-N	357.458	2.167	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)N[C@@H]3C[C@H]3C(C)C)CC2)cc1	837986776	CPYVYTYJLHOIDY-RBUKOAKNSA-N	360.502	2.161	10	10	FECE	
Cc1cc(C(=O)COC(=O)[C@H]2COCCO2)c(C)n1-c1ccc(F)cc1	915414941	QTLTUMUFOSJWGJ-GOSISDBHSA-N	361.369	2.375	10	10	FECE	
O=c1c2ccccc2nc(O)n1Cc1cc(F)c(N2CCOCC2)c(F)c1	840702632	CTVJYYMJGQVTAU-UHFFFAOYSA-N	373.359	2.265	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCCCn3nc(C)cc3C)C2)cc1	852457721	ZCUOERPCYCJPBX-KRWDZBQOSA-N	371.485	2.477	10	10	FECE	
CO[C@H](CNC(=O)NCc1cccc(Br)c1O)[C@@H]1CCOC1	852437943	KLVRKFABBLZCGN-DGCLKSJQSA-N	373.247	2.005	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCCN3CC(F)(F)F)C2)cc1	855223470	AJLNCDQCMFLVDR-CJNGLKHVSA-N	371.403	2.417	10	10	FECE	
CCC(CC)NC(=O)[C@@H]1CN(C(=O)C=C2CCNCC2)c2ccccc2O1	852827672	NAVKHHRLIAFFCV-IBGZPJMESA-N	371.481	2.395	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(N(C)C)nc3)C2)cc1	851954709	WBJJZOACFVIRDB-INIZCTEOSA-N	369.469	2.234	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C[C@H](C)NC(=O)C3CCCC3)C2)cc1	855229367	JJDMRDPYKMCMGW-DOTOQJQBSA-N	373.497	2.475	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cc(Br)no3)C2)cc1	866018078	DAMIQTKXKRUFCU-SNVBAGLBSA-N	366.215	2.454	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCc2nncn2C)C1	769662530	DECWIOYLPWDQSK-UHFFFAOYSA-N	367.453	2.280	10	10	FECE	
COC(=O)N1CCC[C@@H]([C@@H](C)NCc2cc(OC)c(OC)cc2O)C1	775998617	GZIGKLJQFNCUKG-CHWSQXEVSA-N	352.431	2.366	10	10	FECE	
CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1	898977253	IGHVTCJOUAQZIL-LLVKDONJSA-N	363.439	2.140	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H](C(=O)N2CCCC2)C1	897768538	BOLSBBFZWNYRIF-NSHDSACASA-N	360.435	2.397	10	10	FECE	
COC(=O)/C=C\c1ccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)cc1	797819569	MTJCHDVKRHZPKD-YHYXMXQVSA-N	363.391	2.388	10	10	FECE	
C[C@H](NC(=O)N1CCN2CCC1CC2)c1ccc(N2CCOCC2)cc1	790689743	KIKZJSIGDMDVBQ-INIZCTEOSA-N	358.486	2.074	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc1	1301485954	HDUQWIODBBWDSL-HZPDHXFCSA-N	371.441	2.222	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3cnc(C(C)C)[nH]3)CC2)cc1	1318677709	DQCGHFOCGAESBY-UHFFFAOYSA-N	371.485	2.094	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(Cc2cccnc2)n1CC1(O)CC1	1314753740	XYIAIONJUZMROV-UHFFFAOYSA-N	365.437	2.131	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1	1440893737	LFWZZYVMSXEVMP-UHFFFAOYSA-N	369.381	2.477	10	10	FECE	
O=C(NCc1ccccc1)[C@@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	1299833204	ICSNNETWDMPFPL-NBEHIINDSA-N	366.417	2.276	10	10	FECE	
CC(C)N(C)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1O	1541606771	VPHJQBHHIGWUCA-KRWDZBQOSA-N	373.501	2.464	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1C=CS(=O)(=O)C1	1543356664	MHYUSODCEAPTEU-MRXNPFEDSA-N	350.484	2.438	10	10	FECE	
Cc1cc(CC(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)c(C)n1-c1ccccc1	1626160950	RQTKDXLKPFAABH-GOSISDBHSA-N	365.433	2.043	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	1556515996	VNMXMPHOBGBCDT-KBXCAEBGSA-N	374.437	2.109	10	10	FECE	
Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1O	1642851260	WTYGBEVIMLNWNH-HAQNSBGRSA-N	350.415	2.439	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)Nc2cccnc2N2CCC(O)CC2)cc1	1647985718	HSLNBODOFIIBNA-UHFFFAOYSA-N	368.397	2.457	10	10	FECE	
CCOC(=O)CN1C(=O)/C(=C\c2ccccc2C(=O)O)SC1=S	6076289	OIJYVCIOGXXYDO-YRNVUSSQSA-N	351.405	2.149	10	10	FECE	
C[C@H]1CCCCN1C(=O)CSc1nc(-c2ccco2)nc2cc(=O)[nH]n12	15732583	DTGOBCIEGDPSMI-NSHDSACASA-N	373.438	2.171	10	10	FECE	
C[C@@H](NCCCN1CCC(O)CC1)c1ccc(N2CCC(O)CC2)cc1	151355272	GCJKAVMXZDGJKL-QGZVFWFLSA-N	361.530	2.145	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](CNCc2cccc(O)c2O)OCC12CC2	2129220074	OXHBUCCJWGWFMG-AWEZNQCLSA-N	364.442	2.356	10	10	FECE	
CC(=O)NCCN(C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2	308124918	ABNOCSPPIZLZSI-UHFFFAOYSA-N	362.474	2.134	10	10	FECE	
O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1	2188918499	FPJXNBDKNCVFCP-NVXWUHKLSA-N	368.433	2.398	10	10	FECE	
CN1CCc2cc([C@H](CN)N3C[C@@H]4C[C@H](C3)N4C(=O)OC(C)(C)C)ccc21	2194554496	IIIVNJGBPBKNIX-SCTDSRPQSA-N	372.513	2.372	10	10	FECE	
CC(C)(C)OC(=O)NCC1(CC(=O)N2CC(N=[N+]=[N-])C2)CCOCC1	2060635565	MYHZUXHSEOWDKG-UHFFFAOYSA-N	353.423	2.219	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H](CC(=O)N2CC[C@H](N=[N+]=[N-])C2)C1	2080209871	DWPIAJCALPSPEU-STQMWFEESA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCN(CCC(=O)Nc2ccc(N)cc2)C1	2106650294	BSOJNHUVORNKSZ-AWEZNQCLSA-N	362.474	2.444	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)COc2ccc(N)cc2)C1	2106777205	QIRWTNOWTHTSIR-LJQANCHMSA-N	363.458	2.411	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)[C@@H](O)[C@@H](C)CNC(=O)OC(C)(C)C	2106849864	BLRNKRJGZWJEAC-VHSSKADRSA-N	363.502	2.461	10	10	FECE	
C[C@H](OC(C)(C)C)[C@@H](NC(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]1C[C@H](N)C1	2112571097	KRYBHWMGCWEBDH-PWNZVWSESA-N	370.490	2.349	10	10	FECE	
CC(C)(C)OC(=O)N1CCOCC[C@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2257620564	YCHMJYWPPFLXJA-OLZOCXBDSA-N	353.423	2.171	10	10	FECE	
CN(C)c1ccc([C@@H](CN)N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)cc1	2271765248	MNPGRAVXTBMSMF-VPWXQRGCSA-N	360.502	2.351	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)NC1CCC(O)(c2cccnc2)CC1	2309636206	KTOQTFBVKIRIEU-UHFFFAOYSA-N	354.406	2.453	10	10	FECE	
CCOc1cc(C=C2SC(=S)NC2=O)ccc1O[C@@H](C)C(=O)O	2314934977	LOMLYVMLWBJSLP-QMMMGPOBSA-N	353.421	2.426	10	10	FECE	
CO[C@@H](C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-])C1CN(C(=O)OC(C)(C)C)C1	2312333995	IJXDSKCGHQRYCG-FRRDWIJNSA-N	353.423	2.216	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-])[C@@H]1CCCO1	2312333948	HGOFDDRXUAMONV-MROQNXINSA-N	353.423	2.406	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN[C@@H](C)c3ccncc3)CC2)cc1	182076711	QVDNEZQUHLTFDI-INIZCTEOSA-N	354.454	2.090	10	10	FECE	
CN(C)c1noc([C@@H]2CCCN(Cc3ccc(N4CCOCC4)cc3)C2)n1	194931822	CBXIOZUWXJJHQL-QGZVFWFLSA-N	371.485	2.352	10	10	FECE	
COC(=O)[C@H](NCCN=[N+]=[N-])c1cc(Br)c2c(c1)OCO2	90257059	NLGZRAQRIJSKLJ-SNVBAGLBSA-N	357.164	2.292	10	10	FECE	
COc1ccc(N2CCN(C(=O)CC(=O)NCc3ccccc3)CC2)cc1	242451479	BOMHUZUQENSOFK-UHFFFAOYSA-N	367.449	2.050	10	10	FECE	
COC(=O)C[C@@H]1CCCN1C(=O)/C=C\c1ccc(N2CCOCC2)cc1	255386731	CKFCREXWAOADGP-KKMIYCERSA-N	358.438	2.091	10	10	FECE	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1cn(C[C@H]2CCOC2)nn1	529392002	LZNMQVAPACSWBZ-SECBINFHSA-N	371.224	2.257	10	10	FECE	
Cc1ccc(CN(C)S(=O)(=O)NC2CCC2)c(O)c1Br	2380738189	VSBMSEPPAHARJU-UHFFFAOYSA-N	363.277	2.282	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](C(N)=O)C(C)C)CCCC1	649704134	XQMDUPQFTOUIKJ-IBGZPJMESA-N	357.454	2.155	10	10	FECE	
CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccn(-c2ccc(N)cc2)n1	2162525761	HSGZXDWYBONYBV-AWEZNQCLSA-N	373.457	2.488	10	10	FECE	
CCNC(=O)CCOC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	816119513	HEDSHSKXTPUIKA-UHFFFAOYSA-N	371.481	2.477	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2CC23CCSCC3)c1	817620768	JZAUSDMIIASBDN-NSHDSACASA-N	370.496	2.027	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3ccc(CN(C)C)nc3)C2)cc1	819592022	ZWTOSAYWNZBDLL-MRXNPFEDSA-N	368.481	2.408	10	10	FECE	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H](O)C(C)(C)O)cc1	900646393	BLPHHQOMXSDXDV-LJQANCHMSA-N	372.465	2.426	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNc3nc(C)c(C(=O)O)s3)cc2)CC1	900950765	GWLSMKCLJNGFEG-UHFFFAOYSA-N	374.466	2.430	10	10	FECE	
COC1(C[C@@H](NC(=O)NCc2ccc(N(C)C)cc2C)C(=O)O)CCC1	909043103	NXFYYZVUAVPYJF-MRXNPFEDSA-N	363.458	2.273	10	10	FECE	
C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	837032981	XQLAZTRFJINCFZ-OGOUPESXSA-N	358.360	2.454	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2C3CCC2(C(N)=O)CC3)cc1F	917616972	LVNXOSQRNUUJST-UHFFFAOYSA-N	362.449	2.364	10	10	FECE	
CCN1CCO[C@H](C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)C1	746105771	FSTCCDUPUBIGSI-FQEVSTJZSA-N	355.482	2.474	10	10	FECE	
COc1ccc(N2CCC(NC(=O)NCc3cncc(O)c3)CC2)cc1	916225775	LOSIUXRKANYQDC-UHFFFAOYSA-N	356.426	2.264	10	10	FECE	
CCc1ccncc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2	845893411	TUHMCMQCJFRHTD-UHFFFAOYSA-N	353.422	2.483	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H]3CC[C@H](C(=O)OC)CC3)C2)cc1	855227068	WBSJBPBIVYNLTB-JYJNAYRXSA-N	360.454	2.370	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCC(=O)c4cccn43)C2)cc1	855227140	WPIJPFORIQVDJW-KSSFIOAISA-N	353.422	2.409	10	10	FECE	
O=c1c(NCc2ccc(N3CCC(O)CC3)cc2)nccn1C(F)F	853955132	GMHIBGVGMFSFRP-UHFFFAOYSA-N	350.369	2.212	10	10	FECE	
Cc1cc(F)ccc1C[C@H](C)NC(=O)C(=O)NCCc1ccc(N)cc1	851687651	GTNLATCKDRAOHP-AWEZNQCLSA-N	357.429	2.122	10	10	FECE	
CC[C@H](NCC(=O)NCC(=O)NCc1ccccc1)c1ccc(F)cc1O	926964742	NEVMUJUHPZOQFQ-KRWDZBQOSA-N	373.428	2.005	10	10	FECE	
O=C(NCc1c(O)cccc1F)Nc1cccc(C(=O)N2CCOCC2)c1	929740893	XXILXAUHDHPOTJ-UHFFFAOYSA-N	373.384	2.325	10	10	FECE	
C[C@@H](NC(c1ccnn1C)c1ccnn1C)c1cc([N+](=O)[O-])ccc1O	858584166	PGWBETOCTWOMNY-LLVKDONJSA-N	356.386	2.208	10	10	FECE	
COC(=O)c1ccoc1S(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1	867124996	GKIAQXMEALPQFU-NSHDSACASA-N	352.412	2.172	10	10	FECE	
CC(C)(C)OC(=O)[C@@H]1COCCN1Cc1ccc(N2CCOCC2)cc1	930895900	XFTNWZIZYKYQTC-SFHVURJKSA-N	362.470	2.066	10	10	FECE	
CCOC(=O)[C@H]1c2ccoc2CCN1C(=O)/C=C/c1ccc(O)c(O)c1	862683405	BLDRUSZTUCBDFY-MJICGBHWSA-N	357.362	2.393	10	10	FECE	
CC(=O)C1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1	872843968	RLMVEIQTDWOFHO-UHFFFAOYSA-N	363.433	2.173	10	10	FECE	
C[C@H]1CNc2c(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cnn2C1	1123606443	HZKGILXLEBQTRG-GJZGRUSLSA-N	369.469	2.272	10	10	FECE	
C[C@@H](NC(=O)CN(CCN(C)C)C(=O)OC(C)(C)C)c1ccccc1O	1877574593	YOZIBUVKRUHPKT-CQSZACIVSA-N	365.474	2.368	10	10	FECE	
COC[C@H](C)CNCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	783598550	IMEQYRNYKJJVOH-MRXNPFEDSA-N	373.476	2.314	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)c1cc2c(nc1O)CCCC2=O	1142728052	LPQHCYKBKPIFPA-UHFFFAOYSA-N	363.373	2.490	10	10	FECE	
C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3COC[C@@H]3O)cc2Cl)C1	1235835226	VDTSHUURBPPKPV-VMGRFDJRSA-N	367.877	2.135	10	10	FECE	
O=C(Cn1cc(NC(=O)N2Cc3cccc(O)c3C2)cn1)NC1CCCC1	1334854242	VKVWOTILYNGCQM-UHFFFAOYSA-N	369.425	2.195	10	10	FECE	
Cc1oc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc1S(C)(=O)=O	1330213094	FXQAUQAADMGCLT-UHFFFAOYSA-N	354.403	2.127	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnn4c3NC[C@H](C)C4)CC2)cc1F	1346675969	CPFRIGVCOBPGBG-ZDUSSCGKSA-N	373.432	2.055	10	10	FECE	
CCc1nc(C)ncc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1	1438904945	VTCLDFULVFFNGH-UHFFFAOYSA-N	353.470	2.029	10	10	FECE	
CN1C(=O)c2ccc(C(=O)NCc3ccc4cccnc4c3O)cc2C1=O	1469250144	RNEVFGMISBETSW-UHFFFAOYSA-N	361.357	2.096	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2NC(=O)C[C@H]2C)C1	1540632064	AMQRDSIKVJUEBH-CQSZACIVSA-N	354.454	2.060	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1coc(C=O)c1	1623929373	XSWNIPVZZOMUHY-UHFFFAOYSA-N	351.742	2.267	10	10	FECE	
COc1ccc(C(=O)CCC(=O)NCc2c(O)cccc2O)cc1OC	1635843593	YUVYBEBXIYTQFM-UHFFFAOYSA-N	359.378	2.394	10	10	FECE	
CCc1ccccc1-n1cc(O)c(C(=O)NCc2ccc(O)c(O)c2)n1	1631439171	XJRYEKWSUHPFFH-UHFFFAOYSA-N	353.378	2.482	10	10	FECE	
CC1(CCNC(=O)COc2ccc(N)cc2)CN(C(=O)OC(C)(C)C)C1	2123280533	GZULOHGNIGGHAY-UHFFFAOYSA-N	363.458	2.411	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1cc2c(cc1[N+](=O)[O-])OCCCO2	1645363327	QLFSTIBXDYFJFA-UHFFFAOYSA-N	360.322	2.097	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@@H](C2CC2)C2(CO)CCOCC2)cc1	1643972786	VLRQPTPSAYTGTB-HNNXBMFYSA-N	360.414	2.147	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(CC2CC2)n1C[C@]1(O)CCSC1	1747753021	ATJYVLOHCGDWGJ-LJQANCHMSA-N	374.510	2.441	10	10	FECE	
Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)cn1	2124536570	RTXQRNKWUPBIBB-AAEUAGOBSA-N	363.422	2.145	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3COC(C)(C)C3)CC2)c(OC)c1	1687791464	WSDCQWKOXWLIQY-AWEZNQCLSA-N	363.458	2.103	10	10	FECE	
CCc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)O)[C@@H](C)O)C2=O)cc1	1858592814	YDCVDAVVJARLBD-ZSKORGCUSA-N	351.449	2.284	10	10	FECE	
Oc1ccc(Cl)cc1CN=c1[nH]ccnc1I	2008697494	HRERZVSPUJJNQZ-UHFFFAOYSA-N	361.570	2.474	10	10	FECE	
COCCN(CCNCc1ccc(OC)cc1O)C(=O)OC(C)(C)C	378892081	SXAZCFKGDKEEKE-UHFFFAOYSA-N	354.447	2.374	10	10	FECE	
CC1(NC(=O)OC(C)(C)C)CC(NS(=O)(=O)Cc2ccc(N)cc2)C1	2044239253	GALKWMIFCSQTMO-UHFFFAOYSA-N	369.487	2.134	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](OCCNCc2ccc(O)cc2O)C1	2046755087	UVRQDKOKUWBRHZ-OAHLLOKOSA-N	352.431	2.213	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNCc2c(O)cccc2F)C[C@@H]1O	2052663845	QWRJYTCEAKHQDL-XFJVYGCCSA-N	354.422	2.285	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1)C1COC1	2060638350	VXTQDSSPKJGHBY-AAEUAGOBSA-N	353.423	2.075	10	10	FECE	
C[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)c1ccc(O)cc1O	2063340776	DMOVVTPIJYNIHC-CQDKDKBSSA-N	352.431	2.119	10	10	FECE	
Nc1ccc(CCC(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1	2106701364	ONGKQWCRBZPOOM-CYBMUJFWSA-N	357.376	2.119	10	10	FECE	
CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(CCOc2ccc(N)cc2)C1	2106737545	NVUUPTABBFREQG-WBVHZDCISA-N	365.474	2.262	10	10	FECE	
CN1CCc2cc([C@@H](O)CN3CCN(C(=O)OC(C)(C)C)CC3)ccc21	2106796516	RLMGBBLCEZLZGY-SFHVURJKSA-N	361.486	2.265	10	10	FECE	
C[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(O)[C@@H](N)c1ccc2c(c1)CCN2C	2106849627	YMKYITZZSBZGLT-QKMWGZLOSA-N	361.486	2.439	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)N1CC[C@H](N=[N+]=[N-])C1)C[C@H]1CCCO1	2259729971	PJWPSDZDWKXOPC-QWHCGFSZSA-N	353.423	2.314	10	10	FECE	
Nc1ccc(O)c(CNS(=O)(=O)CCCOCc2ccccc2)c1	302552168	KEZPQJOXYBYJMX-UHFFFAOYSA-N	350.440	2.001	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCC(O)(c4ccccc4)CC3)cc2N1	302207938	LCPXVZDHYZDTGI-UHFFFAOYSA-N	369.377	2.414	10	10	FECE	
CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NCc2ccc(N(C)C)cc2)C1	192262334	CXXVOYBUDUQKKW-JKSUJKDBSA-N	359.430	2.116	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCCCc3cn[nH]c3C)CC2)cc1	45539850	DREZUVOSPITSND-UHFFFAOYSA-N	357.458	2.191	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCCNC(=O)[C@H]2C)cc1F	191380380	GGMOGUYVTYIHJX-CYBMUJFWSA-N	350.438	2.092	10	10	FECE	
CCNS(=O)(=O)c1ccc2c(c1)N(Cc1ccc(OC)cc1O)CC2	191561237	VJOPEDIAPOGDSU-UHFFFAOYSA-N	362.451	2.262	10	10	FECE	
CCCNC(=O)c1cc(C)nc(N2CCN(c3ccc(OC)cc3)CC2)n1	242976751	HQFJULVQAILALS-UHFFFAOYSA-N	369.469	2.260	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)N(C)[C@@H]3CCOC3)cc2F)C[C@@H](C)O1	264442777	WXEDOLXWSSGXTG-IIAWOOMASA-N	365.449	2.370	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCOC[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])c1	804801615	BCPFTLBRMBPODU-BJESKFFQSA-N	362.382	2.165	10	10	FECE	
O=S1(=O)CCN(Cc2cc(Br)ccc2O)[C@H]2CCC[C@H]21	825201793	NYDGLQKKIJCESW-GXTWGEPZSA-N	360.273	2.306	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cc2c(O)ncnc2cn1	839920709	DAXULRLSFXSKBO-ZDUSSCGKSA-N	365.437	2.466	10	10	FECE	
Nc1ccc(CC(=O)N2CCC3(CC2)C[C@H]3C(=O)N2CCCCC2)cc1	831502522	RZHNMHSRWSKHFA-SFHVURJKSA-N	355.482	2.453	10	10	FECE	
CC[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCCCO1	848936631	HMQBTJPFWDIVAK-WBAXXEDZSA-N	361.486	2.394	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)c3cn(C(C)C)cn3)C2)cc1	849416858	YBEQJAMMLCDSOW-AWEZNQCLSA-N	364.471	2.030	10	10	FECE	
CCn1cnc2c1CCN(C(=O)N[C@H]1CCN(c3ccc(OC)cc3)C1)C2	923186407	IZXQVYNVUNEYHY-HNNXBMFYSA-N	369.469	2.258	10	10	FECE	
C[C@@H](NC[C@@H](O)c1ccnn1C)c1cc(Br)c(F)cc1O	927137969	YQIJMAIBBNTRIM-XLKFXECMSA-N	358.211	2.412	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3cccnc3OC)C2)cc1	851945982	DTXKOGBTAVFLDV-HNNXBMFYSA-N	356.426	2.177	10	10	FECE	
CN(C)CCC[C@@H]1CN(C(=O)NCCCSc2nccs2)CCO1	853857373	AKJGBPOGFZPYLL-CQSZACIVSA-N	372.560	2.378	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(O)c(OC)c3)C2)cc1	853289028	IUKWYEJIOMBMAC-HNNXBMFYSA-N	371.437	2.488	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCCN3CCC[C@H](C)C3)C2)cc1	851979592	ZDENSMVFTDGFFQ-IRXDYDNUSA-N	360.502	2.305	10	10	FECE	
CC(C)C[C@H](N[C@@H](C)c1cc(F)cc(F)c1O)C(=O)NCCN(C)C	756858348	OCYGLEUCMCIPKU-LRDDRELGSA-N	357.445	2.414	10	10	FECE	
C[C@@H](NC[C@@]1(CO)COCCN1Cc1ccccc1)c1ccccc1O	850554674	JYVATEBUFWSDKU-DYESRHJHSA-N	356.466	2.306	10	10	FECE	
Cc1ccc(C(=O)NC[C@H](O)[C@H]2CCCO2)cc1-n1c(C)cc(C=O)c1C	862655954	XNXAAJNCWJKTGP-VQTJNVASSA-N	370.449	2.485	10	10	FECE	
CCC(=O)N[C@@H](CCSC)C(=O)NCc1ccc2cccnc2c1O	862028184	SOMTWSMRCDTOML-AWEZNQCLSA-N	361.467	2.205	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCSc2nccs2)CCS1	930196885	BDKHTDACUMDJAD-MNOVXSKESA-N	359.542	2.142	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N2Cc3cccc(O)c3C2)C1	871207691	QXIKXAUOAQVICQ-IBGZPJMESA-N	362.426	2.260	10	10	FECE	
C[C@@H](NC(=O)N1CCO[C@H](C2CC2)C1)c1ccc(N2CCOCC2)cc1	776859480	DCZOHDVUWDJCBC-BEFAXECRSA-N	359.470	2.405	10	10	FECE	
C[C@@H]1C[C@H](C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CO1	784146091	NKPALJZRQFVEGC-APWZRJJASA-N	357.498	2.260	10	10	FECE	
CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)Cc2ccc(O)c(O)c2)C1	1154768940	BTUAJCULZXXTRU-GXTWGEPZSA-N	350.415	2.014	10	10	FECE	
NC(=O)c1cc(C(=O)NCc2cc(Cl)ccc2O)nn1-c1ccccc1	1300402530	ZMQFVEVSLYEYCM-UHFFFAOYSA-N	370.796	2.260	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCc2cc(Cl)ccc2O)CO1	1251363052	PTNSPDSXHYNMJH-GFCCVEGCSA-N	371.821	2.396	10	10	FECE	
COC/C(C)=C/CN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	1334069208	GBAKQJQJYLBEKP-GIDUJCDVSA-N	350.459	2.427	10	10	FECE	
C[C@H](NC(=O)C(=O)NCC[C@]1(C)CC1(F)F)c1ccc(N(C)C)cc1	1330518959	CTAOCNPMDSGYSB-YVEFUNNKSA-N	353.413	2.481	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCC[C@@]2(C1)CC2(F)F	1346241954	MLPNFSXYPIELNA-SFHVURJKSA-N	365.424	2.359	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNCc2ccc(F)c(F)c2O)C[C@@H]1O	2116208943	OUWQWRAZNMMBAM-GDLCADMTSA-N	372.412	2.424	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(F)cc(F)c2O)[C@H](CO)C1	2116266221	OLCLUPSKWIKMSH-WFASDCNBSA-N	372.412	2.378	10	10	FECE	
Cc1cnc(CC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)s1	1542180462	MNGDWOQJTQBWDM-OAHLLOKOSA-N	372.494	2.012	10	10	FECE	
C[C@H](NC(=O)CCn1c(=O)nc(O)c2ccccc21)c1ccccc1O	1557968188	SNJTVKJUWHHWQO-LBPRGKRZSA-N	353.378	2.075	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(CO)nc3)cc2F)C[C@@H](C)O1	1630555383	LRQZNMVKZVWPHO-OKILXGFUSA-N	373.428	2.257	10	10	FECE	
CCC[C@H](O)[C@@H](CO)NC(=O)NCCc1cc(C)n(-c2ccccc2)c1C	1637410728	RQRWQSODLNLNQI-UXHICEINSA-N	373.497	2.458	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(C(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2124509648	OOSTUQUMINJEGU-DCGLDWPTSA-N	365.434	2.314	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)c1nc(=NCc2cc(F)cc(F)c2O)[nH][nH]1	2130117721	SPDAEFTTZBESOO-MRVPVSSYSA-N	369.372	2.408	10	10	FECE	
Cc1cccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H]2CCOC2)c1O	2139763660	IJCOERAKFYLNRG-LSDHHAIUSA-N	364.442	2.247	10	10	FECE	
C[C@H](c1cc(Br)ccc1O)N1C[C@H]2CS(=O)(=O)C[C@H]2C1	2144164080	DJYSUAITVLBEFT-MXWKQRLJSA-N	360.273	2.192	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CN(c3cc4c(cc3N)NC(=O)CC4)C[C@@H]2C1	2163161843	AVHISNJNMDZCJO-OKILXGFUSA-N	372.469	2.457	10	10	FECE	
C[C@H](NCC1(CNC(=O)OC(C)(C)C)COC1)c1c(O)cccc1O	2056739061	OZIFMSJWFUPECQ-LBPRGKRZSA-N	352.431	2.290	10	10	FECE	
COCC1(C(=O)N2CCC[C@H]2CN=[N+]=[N-])CN(C(=O)OC(C)(C)C)C1	2060619017	HHMWZLGLTSSTMD-LBPRGKRZSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060608942	ONGFHWDSCHFXDO-LRDDRELGSA-N	353.423	2.050	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COC[C@H]1CC(=O)N1CCC[C@H]1CN=[N+]=[N-]	2067675483	ARXHLYBESHHNHF-AGIUHOORSA-N	353.423	2.218	10	10	FECE	
C[C@H](N)c1ccc(N2CC(S(=O)(=O)C(F)F)C2)cc1Br	2206706475	PNWWUUGKWPDFJI-ZETCQYMHSA-N	369.231	2.295	10	10	FECE	
CN1CCN(Cc2cccc(NC(=O)C=Cc3ccc(O)c(O)c3)c2)CC1	2307986546	HHYCYRXYEJSWHD-UHFFFAOYSA-N	367.449	2.497	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCN([C@@H](C)c3nc(C)no3)CC2)c1O	175648803	JISOAAAEKJETNQ-NSHDSACASA-N	362.405	2.304	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2218746222	PQYZCAAHIOQGKY-FVCCEPFGSA-N	353.423	2.358	10	10	FECE	
Cc1cc(C(=O)NS(=O)(=O)C[C@H]2CCCO2)c(C)n1-c1ccccc1	180234302	JNZAJLCLDFOSLZ-MRXNPFEDSA-N	362.451	2.333	10	10	FECE	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)cc1F	131315736	CCVOBKWKTXSVLS-UKRRQHHQSA-N	350.438	2.125	10	10	FECE	
CCCN[C@@H]1C(=O)Nc2cc(N(CC)CCO)c(Br)cc21	92775318	NTUHVFFCSWDAHN-AWEZNQCLSA-N	356.264	2.261	10	10	FECE	
CC1CCN(CCNC(=O)/C=C\c2ccc(N3CCOCC3)cc2)CC1	255755214	KWQWVJYNNPEDGD-DAXSKMNVSA-N	357.498	2.385	10	10	FECE	
Cc1cc(Cl)cc(CNC[C@]2(CO)COCC3(CCC3)N2C)c1O	529645983	VAOYARIRDNQDTB-SFHVURJKSA-N	354.878	2.059	10	10	FECE	
C[C@H](CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1)CN1CCCC1	255333595	HLCDGHQBORJQCM-OTIVFRFGSA-N	357.498	2.385	10	10	FECE	
O=C1C[C@H]([C@H]2CCCCN2C(=O)NCc2ccc(N3CCCC3)cc2)CN1	367059249	CWTJFZORRALOIR-PKOBYXMFSA-N	370.497	2.487	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N(C)[C@H]2CCN3CCO[C@H]2C3)cc1	296493293	YDVHLULFIBNCDW-OALUTQOASA-N	360.502	2.147	10	10	FECE	
C[C@@H]1CCN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)c2ccccc2S1	809958397	VTMJRZUDHQWYLP-LJTDUEICSA-N	371.462	2.015	10	10	FECE	
CCN1CC[C@@H](NC(=O)NCc2ccc(N(CC)CC)c(F)c2)C1=O	801750463	UYLZVRIJMQZKAF-OAHLLOKOSA-N	350.438	2.092	10	10	FECE	
CNC(=O)[C@@H]1CCN(C(=O)Cn2c3c(c4cc(OC)ccc42)CCCC3)C1	650103981	UEULEVMDZOZXDW-CQSZACIVSA-N	369.465	2.123	10	10	FECE	
COC(=O)[C@H]1CN(CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CCO1	728575336	WVJSEWFIWXCZSO-LJQANCHMSA-N	374.412	2.290	10	10	FECE	
C[C@@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)c1cscn1	827580984	YFNZNNRRQUYKDP-GFCCVEGCSA-N	358.467	2.019	10	10	FECE	
COc1cccc(CNC(=O)N[C@H]2CCC[C@@H]2Cc2cnn(C)c2)c1O	822603755	YHWITNMORSZUIF-ZBFHGGJFSA-N	358.442	2.345	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)N[C@H](C)C3CCCC3)C2)cc1	828108669	NQHLXIMLSSRYBH-ZBFHGGJFSA-N	359.470	2.085	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCc2cnn[nH]2)C1	838900714	SOSUDTIDZURBQR-UHFFFAOYSA-N	353.426	2.269	10	10	FECE	
C[C@H](NC(=O)NCc1cc(Br)ccc1O)c1ccn(C)n1	838772597	FNRBJSVVHHSBFZ-VIFPVBQESA-N	353.220	2.449	10	10	FECE	
CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	839918763	NKRSMASDMLLJKC-WMLDXEAASA-N	363.527	2.420	10	10	FECE	
COc1cc(Br)cc(CNC2(c3nn[nH]n3)CCCC2)c1O	735407692	MSSRTGWQKHMQAZ-UHFFFAOYSA-N	368.235	2.236	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)c1	848307790	OHFPOPFRJREPLA-ZWKOTPCHSA-N	353.466	2.294	10	10	FECE	
Cc1nc([C@H]2CCN(C(=O)NCc3ccc4c(c3)CCCN4C)C2)no1	915390863	SUXUDHMAASCHHC-INIZCTEOSA-N	355.442	2.460	10	10	FECE	
Cc1cc(C(=O)CN2CCNC[C@@H]2C)c(C)n1-c1ccc2c(c1)OCO2	843346675	FZWRBMPYUBDPJE-AWEZNQCLSA-N	355.438	2.299	10	10	FECE	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H]2CC[C@@H]2C(=O)O)cc1	911110178	HODZTMUXFUZJKI-KURKYZTESA-N	360.454	2.371	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)c3ccccc3OC)C2)cc1	849416013	JMVQFWYKCLYTSP-AWEZNQCLSA-N	362.451	2.261	10	10	FECE	
COC(=O)N[C@H]1CCN(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)C1	924478593	OJPNDMMJKFJXTD-KRWDZBQOSA-N	369.421	2.477	10	10	FECE	
CC[C@]1(CO)CCCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	854298332	ASLLTIAVMNHNFD-JXFKEZNVSA-N	361.486	2.468	10	10	FECE	
C[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O)c1ccc(N2CCOCC2)cc1	920866476	CXOUXAQXVBHHBX-BMGDILEWSA-N	358.438	2.367	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCCN3CCC(C)CC3)C2)cc1	851977582	DLISKNSTDUEUDK-KRWDZBQOSA-N	360.502	2.305	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N(CCC2CC2)CC2CC2)c1	856283654	IKYISEUNDZXDMJ-UHFFFAOYSA-N	352.456	2.416	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(C(C)(C)C)C3)C2)cc1	852447430	AZPYVRYPZUSGCR-HOTGVXAUSA-N	360.502	2.446	10	10	FECE	
CC(C)(C)n1nnnc1COC(=O)c1csc(Cc2ccc(N)cc2)n1	766229612	UAPFPBKESWUHMT-UHFFFAOYSA-N	372.454	2.415	10	10	FECE	
CCC1(CC)CN(Cc2ccc(N3CCOCC3)cc2)CCS1(=O)=O	779227104	ZIIZFRVLDWOZBE-UHFFFAOYSA-N	366.527	2.312	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(C2CN(C)C2)CC1	1123934774	BURMFFCUTAIVJM-UHFFFAOYSA-N	358.511	2.227	10	10	FECE	
CC(=O)C1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1	899098577	PJKRHEAJVFOJFG-LJQANCHMSA-N	360.502	2.366	10	10	FECE	
COC(=O)c1c(CN2CCC(CO)(OC)CC2)c2cc(F)ccc2n1C	894578474	LFUOUOPQICXBGF-UHFFFAOYSA-N	364.417	2.077	10	10	FECE	
CN1CCc2cc([C@@H](CN)N3CC(CNC(=O)OC(C)(C)C)C3)ccc21	1881552305	AOCDXQZSSXPGRN-GOSISDBHSA-N	360.502	2.135	10	10	FECE	
CCn1cc(CNCCN2CCN(c3ccc(OC)cc3)CC2)c(C)n1	892703302	HGEUUJFHSVCXAT-UHFFFAOYSA-N	357.502	2.132	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)CC2)cc1	1261734742	JMQLTOGSXQLAMW-OAHLLOKOSA-N	354.454	2.262	10	10	FECE	
Cc1cc(C(=O)N2C[C@@H](CCO)[C@@H](CO)C2)c(C)n1-c1ccc(F)cc1	1353357068	MRNRRNKBMVPWRM-HZPDHXFCSA-N	360.429	2.296	10	10	FECE	
Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CCOC(C)C	1511774748	DMYPKTGGCSHVMA-UHFFFAOYSA-N	373.501	2.485	10	10	FECE	
Cc1ccc([C@H](CNC(=O)Cc2ccc(O)c(O)c2)N2CCOCC2)cc1	1291849821	LFKNBQSFVVAZQE-SFHVURJKSA-N	370.449	2.138	10	10	FECE	
COC(=O)C1(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)CC(CO)C1	1522797290	PPLSBBDZELBXKA-UHFFFAOYSA-N	370.449	2.067	10	10	FECE	
C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1	1526623578	QNRLRVISGZYUKF-WKPIXPDZSA-N	357.414	2.130	10	10	FECE	
CC[C@@H](CN(C)CC(=O)N(C)c1ccc(N)cc1)NC(=O)OC(C)(C)C	2116684825	CHMMUSVFHUBYJL-HNNXBMFYSA-N	364.490	2.467	10	10	FECE	
COC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)/C=C\c1cncc(C)c1	1527303339	GGTSCJLTWZXWNQ-UTCJRWHESA-N	351.362	2.175	10	10	FECE	
CCCNS(=O)(=O)c1ccc(NC(=O)c2cccc(O)c2O)cc1	1543212444	AEKHZTCPMNXADM-UHFFFAOYSA-N	350.396	2.038	10	10	FECE	
Cc1ccc(O)c(CNC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c1	1557553991	TYXFIRRVRKCOFJ-UHFFFAOYSA-N	357.801	2.324	10	10	FECE	
COc1ccc(CNC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])c(O)c1	1635042476	LKKJNLHXSIJPRS-UHFFFAOYSA-N	350.302	2.387	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C1	2124532039	IFZMFJRFVBYVTG-DYVFJYSZSA-N	367.450	2.440	10	10	FECE	
CC(C)NC(=O)CCn1c(CC2CC2)nnc1N(C)Cc1ccccc1O	1761250022	WBQZRWLVVWIMSR-UHFFFAOYSA-N	371.485	2.487	10	10	FECE	
C[C@@H]1OCC[C@@]1(O)Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1O	1763277204	ZXKCYOUAHJPLEE-VBKZILBWSA-N	372.469	2.113	10	10	FECE	
COc1ccc(O)c([C@@H](C)N=c2nc(CNC(=O)OC(C)(C)C)[nH][nH]2)c1	2126785510	MGIYFJHSCCQTPX-SNVBAGLBSA-N	363.418	2.139	10	10	FECE	
COc1ccc(/C=C2\SC(=S)N(CCN3CCOCC3)C2=O)cc1	14142036	OHGQDVGQJLCPMW-QINSGFPZSA-N	364.492	2.229	10	10	FECE	
C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cc(O)c(O)c(O)c1	2132409147	CEVMISPWWGTINB-GHMZBOCLSA-N	366.414	2.179	10	10	FECE	
Oc1ccc(CNC[C@@H]2CN(Cc3ccccc3)CCCO2)c(O)c1O	390588130	RMSKTTGYSCNXRG-QGZVFWFLSA-N	358.438	2.184	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNCc2cccc(F)c2O)C[C@@H]1O	2052656368	HNHIHXGWEJICHN-DFBGVHRSSA-N	354.422	2.285	10	10	FECE	
CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2060638812	BEHBZEJRZUNNPV-NWDGAFQWSA-N	355.439	2.342	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]1(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)CCCO1	2060636044	STCNNMGKOKHVAW-BLLLJJGKSA-N	353.423	2.362	10	10	FECE	
CN(C[C@@H]1CCN(C(=O)COc2ccc(N)cc2)C1)C(=O)OC(C)(C)C	2106774465	QINGYVCSNWJKLH-AWEZNQCLSA-N	363.458	2.363	10	10	FECE	
CC(C)(C)OC(=O)NCc1nnc2n1CCN(CCCCN=[N+]=[N-])C2	2083061919	BZDYIDVYZXWBSA-UHFFFAOYSA-N	350.427	2.209	10	10	FECE	
CN1CCc2cc([C@@H](O)[C@@H]3CN(C(=O)OC(C)(C)C)CCN3C)ccc21	2106795225	FJVVSOWDHKLILK-ZWKOTPCHSA-N	361.486	2.263	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)[C@H]2CCC[C@H]21	2309639021	FUFSSPXQNNYBEV-QTQYWKMLSA-N	350.459	2.191	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-]	2312333813	BGTKFRMIPRVGOW-XQHKEYJVSA-N	353.423	2.094	10	10	FECE	
CN(C[C@H](O)CN1CCOCC1)c1ccc(OCc2ccccc2)cc1	189645631	WRODAMQWDKPOLU-FQEVSTJZSA-N	356.466	2.395	10	10	FECE	
CCn1nccc1N1CCC[C@H](NCc2ccc3c(c2)CCN3C)C1=O	191640385	IHUMFOMZSGYXGU-KRWDZBQOSA-N	353.470	2.181	10	10	FECE	
COc1ccc([C@@H]2[C@@H](C(=O)NCCc3ccc(N)cc3)CC(=O)N2C)cc1	237298268	OZNJNMILWJMUFG-AZUAARDMSA-N	367.449	2.156	10	10	FECE	
C[C@@H]1CN(C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)CCO1	92079294	TVNCZZWNQPXTEZ-GOSISDBHSA-N	359.514	2.208	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CC(O)(c3ccccc3)C2)c([N+](=O)[O-])c1	804837472	MAMJQJJFXWKNBS-CSKARUKUSA-N	354.362	2.489	10	10	FECE	
Cc1cc(CN2CCCN(S(=O)(=O)C3CC3)CC2)ccc1N(C)C	815112647	WURBEHMDJKLSLG-UHFFFAOYSA-N	351.516	2.061	10	10	FECE	
CC[C@H](COCC1CC1)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	827157331	ADNOQBZWOOXPDJ-GOSISDBHSA-N	373.497	2.224	10	10	FECE	
CC[C@@H]1CN(CC)CCN1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	854297896	SVBFNRFRUFSEHQ-IAGOWNOFSA-N	360.502	2.400	10	10	FECE	
C[C@H](NC(=O)N[C@@H]1C[C@H](O)C12CCC2)c1ccc(N2CCOCC2)cc1	853487368	NQYFYVSIRUTNIU-QGTPRVQTSA-N	359.470	2.187	10	10	FECE	
C[C@@H](NC(=O)NCc1cc(Br)ccc1O)c1nccn1C	852688600	JFKPOPWSDOQLTJ-SECBINFHSA-N	353.220	2.449	10	10	FECE	
CC(=O)N1CCO[C@@H](C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)C1	929552311	QMLOCBCAPZGAKJ-HXUWFJFHSA-N	369.465	2.000	10	10	FECE	
C[C@@H](C(=O)NCc1ccc2cccnc2c1O)n1nnnc1C(C)(C)C	862027591	XWTOCLLLSPJGBC-NSHDSACASA-N	354.414	2.102	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3nc([C@H]4C[C@@H]4C)no3)C2)cc1	866011299	YMPGDXLGPGODFM-ZENOOKHLSA-N	356.426	2.458	10	10	FECE	
COc1ccc(N2CCC(NCCC3CCS(=O)(=O)CC3)CC2)cc1	773145693	MILSFPLNAIOVGV-UHFFFAOYSA-N	366.527	2.469	10	10	FECE	
C[C@@H]1CN(Cc2cc3c(cc2O)CCC3)CCN1c1nccn2cnnc12	771178252	YUJDOWHJDDRLAB-CQSZACIVSA-N	364.453	2.029	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)Nc2cnn(CC(=O)NC)c2)cc1	772454871	VBGKVSIXLAVITN-UHFFFAOYSA-N	372.473	2.139	10	10	FECE	
COc1ccc(C[C@@H](C)N(C)C(=O)C(=O)N2Cc3cccc(O)c3C2)cc1	1118940058	JCBAYZWTYWNMRE-CQSZACIVSA-N	368.433	2.333	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3[C@@H]4CCCO[C@@H]43)cc2F)C[C@@H](C)O1	779858317	YMWWKHPHRZSKCM-ZGPDXJMCSA-N	362.445	2.481	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CN3CCCN2CC3)cc1	774276293	SSCFBYVKQBODSQ-FQEVSTJZSA-N	352.482	2.214	10	10	FECE	
Cc1c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)nnn1C(C)C	794247561	SVEFLMAMTQGQMV-AWEZNQCLSA-N	357.458	2.495	10	10	FECE	
C[C@H](C1CC1)N(C)S(=O)(=O)NCc1cc(Br)ccc1O	796191143	OQGXJHRXPWAMIO-SECBINFHSA-N	363.277	2.219	10	10	FECE	
Cc1cc(CCNC(=O)N[C@@H]2C(=O)NCC[C@@H]2C)c(C)n1-c1ccccc1	799399278	FXYDATAPMOXSKA-LIRRHRJNSA-N	368.481	2.460	10	10	FECE	
CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@]1(O)[C@H](N)c1ccc2c(c1)CCN2C	1888020801	CAMNAZJBGVHNNW-SQGPQFPESA-N	361.486	2.439	10	10	FECE	
COc1cc(C(=O)NCc2c(O)cccc2O)cnc1Br	1178910780	IHOCKWXTKZXZGD-UHFFFAOYSA-N	353.172	2.194	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@@H](F)C3)cc2)CC1	1345616260	CEYUQDWSTRAQGG-ZWKOTPCHSA-N	361.461	2.500	10	10	FECE	
C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO)c1ccc(O)cc1O	2116274682	QJLMIPHWQQUJOV-ZENOOKHLSA-N	366.458	2.366	10	10	FECE	
O=C(NCc1c(O)cccc1O)C1CCN(C(=O)c2ccccc2)CC1	1456236804	QOVOAHBGMMCZTP-UHFFFAOYSA-N	354.406	2.266	10	10	FECE	
CN1C(=O)CN(C(=O)c2ccc(N=NC(N)=O)cc2)Cc2ccccc21	1453577118	PKZDWBMFESPOOU-UHFFFAOYSA-N	351.366	2.468	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)cc1	1466210938	UBSLEWRZSYFUCM-UHFFFAOYSA-N	356.422	2.388	10	10	FECE	
Cc1cccc([C@H](CNC(=O)Cc2ccc(O)c(O)c2)N2CCOCC2)c1	1464143066	UVGUZRLHYNAQFY-SFHVURJKSA-N	370.449	2.138	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)Nc2cccc(O[C@@H]3CC(=O)N3)c2)cc1	1637910864	QGEDVSGPBBCBEK-OAHLLOKOSA-N	353.338	2.326	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNc3cc(Cl)nnc3O)cc2)CC1	1655858583	AELMMFALESJESP-UHFFFAOYSA-N	361.833	2.149	10	10	FECE	
COc1ccc2c(c1)nc(CNC(=O)NCc1c(O)cccc1F)n2C	1686197922	BHVPJJCIQXKGLD-UHFFFAOYSA-N	358.373	2.426	10	10	FECE	
CCN1CCN([C@@H](C)CN[C@@H](C)c2ccc(N3CCC(O)CC3)cc2)CC1	155566216	LUWULBWVYQQGDK-OALUTQOASA-N	374.573	2.324	10	10	FECE	
CN1C[C@@H](c2cc(Br)cc(Br)c2O)NCC1=O	1951871165	IEJDZLLDQPRPAA-VIFPVBQESA-N	364.037	2.020	10	10	FECE	
O=C(N[C@H]1CC[C@@H]1NCc1ccc(O)c(O)c1O)OCc1ccccc1	1977132337	UGSYWONYBFUATB-GJZGRUSLSA-N	358.394	2.350	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CO)(CNCc2cccc(Cl)c2O)C1	2023456253	SMYOTOCNKHCSPY-UHFFFAOYSA-N	356.850	2.365	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1cccc(O)c1O	799016804	DKVGHMUQNXCAKD-QWRGUYRKSA-N	354.378	2.175	10	10	FECE	
COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1O	878277309	QYZCVKFCICMQBC-AWEZNQCLSA-N	352.431	2.280	10	10	FECE	
C[C@@H]1CCN([C@@H](CN)c2ccc(N(C)C)cc2)C[C@@H]1NC(=O)C(F)(F)F	2194826467	ZEFIBDJTBSRGAA-KCXAZCMYSA-N	372.435	2.141	10	10	FECE	
C[C@H]1[C@H](NS(=O)(=O)Cc2ccc(N)cc2)CCN1C(=O)OC(C)(C)C	2044252698	HIAISFAOCILZGG-SWLSCSKDSA-N	369.487	2.086	10	10	FECE	
CC(C)N(CCNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(N)cc1	2044684231	NDFBJBAFDNBEDP-UHFFFAOYSA-N	350.463	2.442	10	10	FECE	
CC[C@@H](C)NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2059512730	IZLWVLZRURISJI-YPMHNXCESA-N	352.431	2.448	10	10	FECE	
COC(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2060614064	YAYYSLHWYRFNKW-RYUDHWBXSA-N	355.439	2.464	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2060633914	SWNKKFLZQYXJBW-QWHCGFSZSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CN(C(=O)Nc2ccc(N)cc2)CC[C@H]1CO	2122344425	GBHKHPBYSBRKAG-WFASDCNBSA-N	364.446	2.008	10	10	FECE	
CCOc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCC(=O)O	2297303113	QUVPFPIKQQRYPJ-UHFFFAOYSA-N	353.421	2.380	10	10	FECE	
COc1cc(C=C2SC(=S)N(C[C@@H](C)O)C2=O)cc(OC)c1OC	2318684329	ZLJLNSGQGBBRMI-SECBINFHSA-N	369.464	2.294	10	10	FECE	
O=C(CN1CCN(Cc2cc3c(cc2O)CCC3)CC1)NC1CCCCC1	171356961	KODWWXSCGWFVQQ-UHFFFAOYSA-N	371.525	2.447	10	10	FECE	
COc1ccc(N2CCN(c3ncnc(NNC(C)(C)C)c3N)CC2)cc1	40727871	ONOYYHPCGFUTPY-UHFFFAOYSA-N	371.489	2.109	10	10	FECE	
Nc1ccc(CC(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)cc1	404179765	WZEFHVCTOUYFOT-RTWAWAEBSA-N	365.477	2.313	10	10	FECE	
Cc1ccc(C(=O)N2CCCN(C(=O)c3cccs3)CC2)c(O)c1O	182432390	IQNKUSGJKSCERH-UHFFFAOYSA-N	360.435	2.456	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)c1	74612911	NEPUAENVVSTVIL-KGLIPLIRSA-N	373.457	2.164	10	10	FECE	
C[C@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C[C@H](C)O1	80048945	DTSQRIZBTIDGPH-KBPBESRZSA-N	365.449	2.106	10	10	FECE	
COC(=O)[C@@H]1C[C@H](OC)CN1Cc1cc(Br)cc(C)c1O	245654404	IMGUIDQAZFDJDM-STQMWFEESA-N	358.232	2.225	10	10	FECE	
CC[C@H](C)[C@H](NC(=O)/C=C\c1ccc(N2CCOCC2)cc1)C(=O)OC	255523947	IZJFEFVWTDIENF-SQQMNQCFSA-N	360.454	2.240	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N3CC[C@@]4(CNC(=O)C4)C3)cc2)CC1	279376502	FLDKKBFOZPKQQA-OAQYLSRUSA-N	370.497	2.345	10	10	FECE	
COc1cc(C)c(NC(=O)C(=O)NCCc2ccc(O)c(O)c2)cc1C	278027363	HNKNHDSEIIZGGI-UHFFFAOYSA-N	358.394	2.021	10	10	FECE	
CC(C)N(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@H](O)CO	817417639	MKQQRBCVYPSOBD-INIZCTEOSA-N	351.447	2.149	10	10	FECE	
CCOC(=O)C[C@@H](CO)NC(=O)c1sccc1-n1c(C)ccc1C	820053840	FTQGRGKXJFWQPV-ZDUSSCGKSA-N	350.440	2.200	10	10	FECE	
Cc1nc([C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)c2ccccc2)n[nH]1	588408264	ZIFUOBCBHDYTMJ-IZTUGPKFSA-N	350.378	2.443	10	10	FECE	
CN1CCN(c2ccc(CNCCc3ccc(CC(=O)O)cc3)cc2)CC1	904057564	VNIITQCINXMGIK-UHFFFAOYSA-N	367.493	2.398	10	10	FECE	
COC(=O)c1cn([C@@H]2CCN(C/C=C\c3ccc(N(C)C)cc3)C2)nn1	835044388	BQDXTRQJQBRYHG-VGOKWCNXSA-N	355.442	2.091	10	10	FECE	
CCS(=O)(=O)N1CCC(NC/C=C\c2ccc(N(C)C)cc2)CC1	835035720	KDUBRFSIOIVYGO-WAYWQWQTSA-N	351.516	2.170	10	10	FECE	
COc1ccc(O)c(CNC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)c1	734014925	MSXVUQJKFAIBIC-SFHVURJKSA-N	370.405	2.448	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@@H](CO)c1cccnc1	840485010	RGMBJQLUAGTRSV-LPHOPBHVSA-N	370.497	2.462	10	10	FECE	
Cc1cc(C(=O)COC(=O)[C@H]2CC(=O)N(C)C2)c(C)n1-c1ccc(F)cc1	914919721	OWLHVFLSCULDOA-AWEZNQCLSA-N	372.396	2.437	10	10	FECE	
COc1cc(Br)cc([C@@H](C)N[C@@H]2CCCN(C)C2=O)c1O	848531256	MWSRFCOYSYBMBV-BXKDBHETSA-N	357.248	2.435	10	10	FECE	
O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@@H]1CN(C2CC2)C(=O)O1	847463964	FLTHOGHKQOPVHQ-LLVKDONJSA-N	374.224	2.481	10	10	FECE	
NCCc1ccccc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1	852916476	JWGDGBJTXXOIRL-UHFFFAOYSA-N	353.466	2.079	10	10	FECE	
CC(=O)Nc1ccc(OC[C@H](O)CN2CCCc3cc(CN)ccc32)cc1	923285422	BPRHVPDXWLFCCD-LJQANCHMSA-N	369.465	2.296	10	10	FECE	
O=C(NCc1c(O)cccc1F)[C@H]1CCCN(C(=O)c2ccncc2)C1	928706500	UTZZQYJJRXXYIU-AWEZNQCLSA-N	357.385	2.095	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H]2COC[C@@H]2C1	850653598	QXNWOGHXALFOBL-SJORKVTESA-N	360.454	2.016	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H](C)NC(=O)c3ccccc3)C2)cc1	855228749	FTXABQCHIXDMJK-RDJZCZTQSA-N	367.449	2.209	10	10	FECE	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H]2CCCN(c3cnn(C)c3)C2)c1	756613079	NTESEHITVDLJMW-UKRRQHHQSA-N	358.442	2.232	10	10	FECE	
CN(C)c1ccc(CNS(=O)(=O)N=[S@@](C)(=O)c2ccccc2)cc1	866425043	OCTWMDVZKCNFLV-QHCPKHFHSA-N	367.496	2.244	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Cc3ccc(OC)c(O)c3)C2)cc1	869227668	BGDBUABOLRQCII-HNNXBMFYSA-N	356.422	2.347	10	10	FECE	
CN1CCCc2ccc(S(=O)(=O)Nc3ccc(O)c(C(=O)O)c3)cc21	776434328	CIBYVVNAESQLDZ-UHFFFAOYSA-N	362.407	2.274	10	10	FECE	
CN1CCN(Cc2ccc(C(=O)N3Cc4cccc(O)c4C3)cc2)CC1	871202482	JAPCXXGAJGUODM-UHFFFAOYSA-N	351.450	2.296	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CC[S@](=O)C[C@H]2c2cnn(C)c2)cc1	895381963	YLFPVSKTAAZOLB-FXEXHGGTSA-N	358.511	2.305	10	10	FECE	
Cn1cc(-c2cc(F)ccc2NC(=O)C(=O)NCc2ccccc2O)cn1	796768715	FYDQGNKFTVSRRQ-UHFFFAOYSA-N	368.368	2.187	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)NCCCCN=[N+]=[N-])C1	1963732494	OPGJUUXZNPKJQW-INIZCTEOSA-N	355.439	2.345	10	10	FECE	
CS(=O)(=O)[C@H]1C[C@H](NCc2cc(Cl)cc(Br)c2O)C1	714246931	BZKPEZBOORKQNF-MGCOHNPYSA-N	368.680	2.473	10	10	FECE	
CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2c(c1)CCCN2C	1501465348	IWPKDQYJXUUUIW-MRXNPFEDSA-N	368.485	2.116	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N[C@@H](C)c1cncs1	1351482226	LLVIFDAZLSLUPH-KGLIPLIRSA-N	374.510	2.442	10	10	FECE	
COc1cc(N2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)ccc1F	1296977660	XGZQAGHHBUEEGW-UHFFFAOYSA-N	360.385	2.137	10	10	FECE	
CCN1CCOC[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	1520960438	CRVNCBHYNPOLCP-MRXNPFEDSA-N	373.419	2.364	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O	1618115957	IUOXPLWXIYBNAP-AWEZNQCLSA-N	360.797	2.215	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCC(N=[N+]=[N-])CC1)[C@@H]1CCOC1	2124505283	JTQTYHQAFCWBLO-OCCSQVGLSA-N	367.450	2.465	10	10	FECE	
CN(C)S(=O)(=O)c1c[nH]c(C(=O)NCc2c(O)ccc3ccccc23)c1	1597736956	QARIPTNZHZWVAI-UHFFFAOYSA-N	373.434	2.054	10	10	FECE	
COC[C@H]1CN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)C[C@@H](C)O1	1697885973	MAHJZNPJBVRHRX-DNVCBOLYSA-N	373.501	2.249	10	10	FECE	
C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1nnc2n1CCCC2	153002702	HITBCJIRIWAQFR-LBPRGKRZSA-N	360.437	2.380	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CC12CC2	2136259678	VHEZWWWVHZOYER-WFASDCNBSA-N	362.426	2.202	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)NCCc2ccc(O)c(O)c2)C1	270533129	GIVUWXWMPMPJBB-IBGZPJMESA-N	364.442	2.404	10	10	FECE	
CNC(=O)CN(Cc1ccccc1)c1cc2c(cc1Cl)[C@@H](N)C(=O)N2	2034780575	AEJGBRWZUMFHHK-QGZVFWFLSA-N	358.829	2.045	10	10	FECE	
CN(C(=O)[C@@H](N)Cc1ccc(O)c(O)c1)[C@H]1CC[C@H]1OCc1ccccc1	2156442546	BFDFSFLUSCHMNX-ABSDTBQOSA-N	370.449	2.174	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NCc2ccc(O)c(O)c2)CCO1	2036666043	GFGRWNLMMLZJMG-KBPBESRZSA-N	352.431	2.260	10	10	FECE	
NC(=O)c1coc(CNCc2cc(Cl)cc(Br)c2O)n1	2160640861	KGTNJEIGSIYQTR-UHFFFAOYSA-N	360.595	2.185	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C(=O)C(=O)C[C@H]1C[C@H](N)C1)C2	2049786476	MPFZJIJANKXVFJ-MXAVVETBSA-N	350.459	2.430	10	10	FECE	
C[C@@H](NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc(O)cc1O	397411512	TYXYSPMPFHQLPK-OCCSQVGLSA-N	352.431	2.384	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2060611118	PGSAUPKYQCTSLR-WBMJQRKESA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N2CCC(N=[N+]=[N-])CC2)O1	2060632467	BFYCHTZIAPRPDJ-CHWSQXEVSA-N	353.423	2.360	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@]1(CNC(=O)OC(C)(C)C)CCCOC1	2060615356	NJIGJWVFMKXACF-MRXNPFEDSA-N	355.439	2.467	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](O)C[C@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2060637358	KFTMAXNZHSRFAA-AVGNSLFASA-N	353.423	2.048	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060635063	HOIQTIBDMNEVAR-OLZOCXBDSA-N	353.423	2.314	10	10	FECE	
C[C@H]1C[C@H](NC(=O)COc2ccc(N)cc2)CN(C(=O)OC(C)(C)C)C1	2106257138	GXPNJKPNTAAQOE-ZFWWWQNUSA-N	363.458	2.409	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@]3(O)CCCN(C(=O)OC(C)(C)C)C3)ccc21	2106849802	AZZNGHZWUPQYAY-XLIONFOSSA-N	361.486	2.441	10	10	FECE	
CN(CC(=O)CCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1O	2213754733	IPVVHTLXBUIKCL-UHFFFAOYSA-N	366.417	2.470	10	10	FECE	
COc1ccc(N2CC(O)(C3CCN(C(=O)C(F)(F)F)CC3)C2)cc1	2226799256	RHLIEOQCCZNGRK-UHFFFAOYSA-N	358.360	2.047	10	10	FECE	
CP(C)(=O)C1CN(c2cc3c(cc2Br)[C@H](O)C(=O)N3)C1	2286170091	SEEUTQXLSJVSAJ-LBPRGKRZSA-N	359.160	2.246	10	10	FECE	
O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNCCc1c[nH]c2ccccc12	2297315732	LDFKLVVCCNDHNA-UHFFFAOYSA-N	374.400	2.467	10	10	FECE	
CCOC(=O)CN1C(=O)C(=Cc2ccc(OC)c(OC)c2)SC1=S	2297465508	PWAYDJQOOVYRKO-UHFFFAOYSA-N	367.448	2.468	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](O)C1(C)C	2315988447	IKPKDPLPFRGCMP-MEDUHNTESA-N	355.439	2.200	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)Cc1c(C)[nH]c2ccnn2c1=O	104880211	XWYJITXBLQLSNJ-UHFFFAOYSA-N	354.410	2.018	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)CCn2nc3ccccn3c2=O)cc1	171850508	KWJHCHFNFLNIAU-UHFFFAOYSA-N	367.453	2.049	10	10	FECE	
COc1ccc(N2CCN(Cc3nc(C(=O)NCC(C)C)co3)CC2)cc1	34684276	YNARRFGRVYCSNF-UHFFFAOYSA-N	372.469	2.391	10	10	FECE	
CCN(CC)c1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1	242942568	HCIZMSIQRHBKEU-UHFFFAOYSA-N	369.469	2.294	10	10	FECE	
CCN(Cc1ccc(C)c(Br)c1O)[C@@H]1CCS(=O)(=O)C1	2381136967	KKQQMWKGZHZVHL-GFCCVEGCSA-N	362.289	2.472	10	10	FECE	
Cc1nn2cccnc2c1C(=O)NCc1cc(Br)ccc1O	804737393	IMAAPVQGDMRVKV-UHFFFAOYSA-N	361.199	2.436	10	10	FECE	
CO[C@H]1COCC[C@H]1CC(=O)NCc1cccc(Br)c1O	296965164	YKRKVWGXDKLSRJ-GWCFXTLKSA-N	358.232	2.213	10	10	FECE	
C[C@H](NC(=O)[C@@H]1CCc2nc[nH]c2C1)c1ccc(N2CCOCC2)cc1	823834665	LXZYWJRKCQHBRO-GOEBONIOSA-N	354.454	2.229	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3CCN(C4CC4)CC3)C2)cc1	824693583	LIAXAEPLPAVWPB-INIZCTEOSA-N	358.486	2.011	10	10	FECE	
C[C@H]1N(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CCC12CCOCC2	839354289	WRNKNLRQEQYCFN-MRXNPFEDSA-N	373.497	2.129	10	10	FECE	
CN1C(=O)N[C@]2(CCC[C@@H]2CNC/C=C/c2ccc(N(C)C)cc2)C1=O	835043438	QZOVJALCZRFZPT-MGSHXDRLSA-N	356.470	2.076	10	10	FECE	
CC1(C)OCC[C@H]1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	836242020	ROBHBHBYJAFKLI-MRXNPFEDSA-N	351.422	2.029	10	10	FECE	
OC[C@@]1(CNCc2ccc(N3CCOCC3)cc2)CCc2ccccc21	846012330	YDDMRYKNJROSEW-QFIPXVFZSA-N	352.478	2.489	10	10	FECE	
CCc1cnc(NC(=O)C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)s1	850537267	OJOBQZYPJCVJDX-GFCCVEGCSA-N	374.466	2.048	10	10	FECE	
CC(C)n1ncc2cc(/C=C/C(=O)N3C[C@@H](C)Cn4nccc43)c(=O)[nH]c21	922202593	QKRGLEMELNYJAR-MUBLQREKSA-N	366.425	2.198	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)c2ccnc(N3CCOCC3)n2)cc1	858604800	KDPXPTNGINKPOQ-UHFFFAOYSA-N	369.469	2.089	10	10	FECE	
CC1(C)OC[C@@H]2C[C@@]21C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	854906220	QUJWBVVWKVMPAV-DJJJIMSYSA-N	366.408	2.233	10	10	FECE	
COc1cc(C)c(S(=O)(=O)NCc2c(O)cccc2F)cc1OC	921452728	XPILTHRMWKNTJL-UHFFFAOYSA-N	355.387	2.335	10	10	FECE	
CCNC(=O)COc1cccc(NC(=O)N2Cc3cccc(O)c3C2)c1	929541829	YWEJDTQJORINFW-UHFFFAOYSA-N	355.394	2.455	10	10	FECE	
C[C@@H](NC(=O)NCc1cccc(Br)c1O)c1ccnn1C	869179501	FEIICVNBJMRREB-SECBINFHSA-N	353.220	2.449	10	10	FECE	
Cn1cc(N2CC[C@@H](NC(=O)c3cc4cc(O)c(O)cc4s3)C2)cn1	1119523640	ZLCAGTNATIVXOO-LLVKDONJSA-N	358.423	2.055	10	10	FECE	
Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1Cc2cccc(O)c2C1	871200950	OANUERKOJNTHGC-QGZVFWFLSA-N	367.384	2.152	10	10	FECE	
CC(C)OCCN1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1	896792586	WUWKVXJCHQUVOP-UHFFFAOYSA-N	364.467	2.495	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCC[C@H]2CCCC2(F)F)cc1	1331633760	TZTCTMWRTPGKHO-CQSZACIVSA-N	353.413	2.311	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)N[C@@H](C(C)C)C3CC3)C2)cc1	1330637176	GWNZGRKBZAVZDJ-KXBFYZLASA-N	373.497	2.189	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CC(=O)NCc1ccc(O)cc1O)C1CC1	1451767175	LMVHVLWKCVKNHV-CQSZACIVSA-N	350.415	2.407	10	10	FECE	
C[C@H]1CN(c2ccc(NC(=O)Cc3ccc(O)c(O)c3)cn2)C[C@@H](C)O1	1618633446	CZZDIEZIFCLBEE-BETUJISGSA-N	357.410	2.288	10	10	FECE	
COc1nsc(CNC(=O)c2cccc(O)c2O)c1Br	1630000631	LSCWHPVZWCVIRL-UHFFFAOYSA-N	359.201	2.255	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2124532030	IEUMDMALZKDYJY-MELADBBJSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)NCC12CCC(C(=O)N3CC(N=[N+]=[N-])C3)(CC1)CO2	2124539981	BKICZBFVSUAVMN-UHFFFAOYSA-N	365.434	2.362	10	10	FECE	
CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@]1(O)CCN(C)C1	1752614937	AHYQJDJQDKSVQF-YWZLYKJASA-N	373.501	2.200	10	10	FECE	
O=C(NCC[C@@H]1CCN(Cc2ccccc2)C1)c1cc(O)c(O)c(O)c1	2132404266	QJMWJQMVHNAQGR-OAHLLOKOSA-N	356.422	2.445	10	10	FECE	
CCOC(=O)CCN(CC)C(=O)CCNCc1cccc(OCC)c1O	1857864078	VZBWCALQANQYAE-UHFFFAOYSA-N	366.458	2.072	10	10	FECE	
CCc1cccc(CNC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)c1O	1913908863	PHZZKTAUYSRSSB-UHFFFAOYSA-N	350.415	2.118	10	10	FECE	
Cc1cccc(CNC(=O)[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)c1O	2139752023	WDSYAGWTZFNRPZ-IBGZPJMESA-N	364.442	2.079	10	10	FECE	
O=C1Nc2cc(N3CC4(CN(Cc5ccccc5)C4)C3)c(F)cc2[C@@H]1O	706217921	LLMRVYKQGHCUCN-SFHVURJKSA-N	353.397	2.133	10	10	FECE	
CNCc1ccc(N2CC(C)(CS(C)(=O)=O)C2)cc1Br	2173199595	KXFTUKQPSRIVQN-UHFFFAOYSA-N	361.305	2.039	10	10	FECE	
CN1CCc2cc(CNC[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)ccc21	397110944	CBVRZTUZBIWLSC-QGZVFWFLSA-N	361.486	2.404	10	10	FECE	
COc1ccc(O)c([C@H](C)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1	866493595	WUGHDTMACRRESK-XGWLTEMNSA-N	366.458	2.422	10	10	FECE	
CC(C)[C@@H](CNS(=O)(=O)Cc1ccc(N)cc1)NC(=O)OC(C)(C)C	2044248132	SIVCKLURPFJUJV-OAHLLOKOSA-N	371.503	2.238	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCC2(CN=[N+]=[N-])CC2)CO1	2060608215	DYLNRBSRGDLUPI-VXGBXAGGSA-N	353.423	2.218	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060614444	CJNUYXQGQQIJLF-UPJWGTAASA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C(=O)N2CCC[C@H](N=[N+]=[N-])C2)C1	2073946644	TXILTPUURZMXBD-AGIUHOORSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@]2(NCc3ccc(O)c(O)c3O)C[C@@H]2C1	2077025799	OCXNNHKCTMVWKM-XIKOKIGWSA-N	350.415	2.293	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CN(CC(=O)Nc2ccc(N)cc2)CC1(C)C	2106670376	ATDKJJTWMNIJSU-OAHLLOKOSA-N	362.474	2.442	10	10	FECE	
C[C@H]1CCN(CC(=O)Nc2ccc(N)cc2)C[C@@H]1NC(=O)OC(C)(C)C	2106754280	OIDPQLITZVNSPQ-BBRMVZONSA-N	362.474	2.442	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@H]3CN(C(=O)OC(C)(C)C)CCN3C)ccc21	2106860863	VCHPJCDXQHXAJQ-QZTJIDSGSA-N	360.502	2.230	10	10	FECE	
CN(C)C(=O)CN(Cc1ccccc1)C(=O)CCOc1ccc(N)cc1	2095918130	BROUAYLNTMBCON-UHFFFAOYSA-N	355.438	2.155	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2253551235	ZIJFHBRLADGDNN-JHJVBQTASA-N	353.423	2.048	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CC(F)(F)CN1C(=O)c1cccc(O)c1O	2278884432	OAEYUSODENVXAU-SNVBAGLBSA-N	372.368	2.472	10	10	FECE	
O=S1(=O)CCN(c2ccc(CO)c(Br)c2)CC12CCC2	2279592904	KRWZLOUDSUCQFQ-UHFFFAOYSA-N	360.273	2.099	10	10	FECE	
CN(C)c1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)o1	2294259041	DBHKABLYSCQSMV-UHFFFAOYSA-N	359.382	2.316	10	10	FECE	
COC(=O)c1ccccc1NC=C1C(=O)NC(=O)N(c2ccccc2)C1=O	2296755598	QBAOEAVDZSMISY-UHFFFAOYSA-N	365.345	2.052	10	10	FECE	
COc1cccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)OCO4)C2=O)c1	2297306306	ZTEFRBLTNOXZLB-UHFFFAOYSA-N	366.329	2.090	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])CO1	2312333954	HITGUMZWTYGBAO-MROQNXINSA-N	353.423	2.358	10	10	FECE	
O=C(O)[C@@]1(NCc2ccc3c(c2)CCO3)CCN(Cc2ccccc2)C1	2345648649	FTCOXUASYKTBBN-OAQYLSRUSA-N	352.434	2.440	10	10	FECE	
C[C@H](NC[C@@H]1COC2(CCOCC2)O1)c1ccc(N2CCOCC2)cc1	179975864	ACFDVLBOUFXPJK-QFBILLFUSA-N	362.470	2.096	10	10	FECE	
COc1ccc(O)c([C@H](C)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)c1	186327672	ZSMDWPUKXOYELA-BBRMVZONSA-N	358.442	2.289	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)NC3(C(=O)N(C)C)CC3)ccc21	413930906	QRZVPWAHOSIEBW-UHFFFAOYSA-N	357.454	2.255	10	10	FECE	
CCNC(=O)N1CC[C@H](N[C@@H](C)c2ccc(N3CCC(O)CC3)cc2)C1	90409896	KLLAVKBOQMJKDT-RDJZCZTQSA-N	360.502	2.102	10	10	FECE	
CCOC(=O)c1cnc2c(N=Nc3ccc(OC)cc3)c(N)nn2c1N	254757162	BUXVHVYLYJFLCM-UHFFFAOYSA-N	355.358	2.494	10	10	FECE	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2CSC(=O)N2)cc1	266761440	PVNBEPKITMAPHS-HOTGVXAUSA-N	363.483	2.085	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCc3c(F)cccc32)cc1F	284988423	LLWPVHGOFSXYLK-KRWDZBQOSA-N	373.403	2.451	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NCc2cnc(C)s2)cc1	283955564	IDZUKPYTOPUEON-UHFFFAOYSA-N	360.483	2.230	10	10	FECE	
CCOCc1nc([C@@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2O)no1	291010551	WUUPPEPPEZDYEK-SECBINFHSA-N	352.347	2.079	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CN(CCC(=O)Nc3ccc(N)cc3)C[C@@H]2C1	2163041992	ISWYWZKJKBPBPL-HUUCEWRRSA-N	374.485	2.396	10	10	FECE	
COC(=O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	907273559	MGHBOJCPVBCYOO-BSEKEJRQSA-N	359.422	2.146	10	10	FECE	
COc1cccc(CNC(=O)[C@@H](C[C@H]2COCCO2)C(F)(F)F)c1O	830539838	AGUCKBGMHMCOLP-NWDGAFQWSA-N	363.332	2.001	10	10	FECE	
C[C@@H]1CN(c2ccc(CN3C(=O)N[C@H](CCF)C3=O)cc2F)C[C@@H](C)O1	844715883	BQKMLHAKGVUAPL-LALPHHSUSA-N	367.396	2.219	10	10	FECE	
CC1(C)CN(C(=O)NCCCSc2nccs2)[C@@H]2COC[C@H]2O1	845044345	BIRTVUGVRPJVGZ-VXGBXAGGSA-N	357.501	2.213	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc(C(=O)O)oc3C)CC2)c(OC)c1	911165435	KCUIBBBBESZYGR-UHFFFAOYSA-N	374.393	2.266	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NCc2nnnn2C2CC2)c1O	848532559	BWRCCYOINQJNLN-MRVPVSSYSA-N	368.235	2.336	10	10	FECE	
CN(C)[C@H](CCN1C(=O)CN(Cc2ccccc2O)C1=O)C(F)(F)F	925239123	KAPQCQODZCQDOR-CYBMUJFWSA-N	359.348	2.039	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@H](n4cccn4)C3)C2)cc1	852449627	VDRNQHSPCVBHAO-NVXWUHKLSA-N	355.442	2.127	10	10	FECE	
Cc1cncc(CCNC(=O)NCc2cccc(Br)c2O)n1	852607082	VIRAGWSKZUARQA-UHFFFAOYSA-N	365.231	2.295	10	10	FECE	
Cc1ccc(C(=O)N2CCNC(=O)CC2)cc1-n1c(C)cc(C=O)c1C	859173523	VKGRHAKNGUFXGF-UHFFFAOYSA-N	353.422	2.177	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CNC(=O)CC3CCCC3)C2)cc1	855232015	ZZZJMLBKXRDEOA-INIZCTEOSA-N	359.470	2.087	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3CC[C@H]4COC[C@H]4C3)CC2)cc1	853643836	RKBNHOGNENTDAK-JKSUJKDBSA-N	359.470	2.342	10	10	FECE	
Cc1cc(CCNC(=O)CC2CS(=O)(=O)C2)c(C)n1-c1ccccc1	864645008	RBGRKMOZDAOMSR-UHFFFAOYSA-N	360.479	2.188	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2C[C@H]3C(=O)OC[C@H]3C2)cc1	863754173	OJPKPIDVASYJOD-IEBWSBKVSA-N	366.417	2.081	10	10	FECE	
Cc1cc(CCNC(=O)N2CCn3ncnc3C2)c(C)n1-c1ccccc1	771295830	NIHPYNJVEXAIMU-UHFFFAOYSA-N	364.453	2.454	10	10	FECE	
Cc1cc(CC(=O)N2C[C@@H](CCO)[C@@H](CO)C2)c(C)n1-c1ccccc1	1124105618	NWSVITATSYCRMB-IEBWSBKVSA-N	356.466	2.086	10	10	FECE	
CC[C@@H](NC(=O)C(=O)NCCCSc1nccs1)[C@@H]1CCCOC1	897730826	SVKOYEIVAIEINN-CHWSQXEVSA-N	371.528	2.063	10	10	FECE	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccoc1C1CC1	798906728	OOWORPBWBZDOJR-UHFFFAOYSA-N	374.462	2.322	10	10	FECE	
N[C@@H]1C(=O)Nc2cc(N3C[C@H]4CSC[C@H]4C3)c(Br)cc21	711585199	YGWXHIZYFFCWAU-DAROEXNTSA-N	354.273	2.200	10	10	FECE	
COC(=O)[C@]1(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)C[C@@H](O)C1	1347208680	ZTJRTBZTQMMYCX-GSXCWMCISA-N	356.422	2.199	10	10	FECE	
COC(=O)c1cnc(SCC2=NS(=O)(=O)c3ccccc32)s1	1473034950	CFJXPKYMAOEFIQ-UHFFFAOYSA-N	354.434	2.213	10	10	FECE	
CN(CCCC(=O)OC(C)(C)C)CC(=O)NCc1ccc(N(C)C)cc1	1473860711	CIEZXNWGHKBQET-UHFFFAOYSA-N	363.502	2.423	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)NCc2nc(-c3ccccn3)n[nH]2)c1	1635245495	HSZNJHKOZLGITH-NSHDSACASA-N	368.397	2.141	10	10	FECE	
CC(C)(C)C(=O)N1CCO[C@H](C(=O)NCc2c(O)ccc3ccccc23)C1	1645441194	VYYZLRSXWGSZOS-SFHVURJKSA-N	370.449	2.435	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCCNC(=O)[C@@H]2C)cc1	1648495812	VGPMBDFNGDIHME-INIZCTEOSA-N	367.449	2.186	10	10	FECE	
COc1cc(C)cc(CN2CCN(Cc3c(C)nn(C)c3C)CC2)c1O	164381358	FWPYHFYIAJVBQU-UHFFFAOYSA-N	358.486	2.377	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)c2cnccn2)N2CCCCC2)cc1	1866102330	MEHOVVIDSBGUIH-LJQANCHMSA-N	353.470	2.500	10	10	FECE	
C[C@H](O)CN(Cc1ccccc1)C(=O)c1ccn(-c2ccc(N)cc2)n1	1914609228	SZFXGVVSLLBBJU-HNNXBMFYSA-N	350.422	2.478	10	10	FECE	
Oc1ccc(CNC[C@H]2CN(Cc3ccccc3)CCCO2)c(O)c1O	390588128	RMSKTTGYSCNXRG-KRWDZBQOSA-N	358.438	2.184	10	10	FECE	
CO[C@H]1C[C@H](C(=O)N(C)CCCN=[N+]=[N-])CN(C(=O)OC(C)(C)C)C1	2060634252	XFICDKPMMHTIQF-STQMWFEESA-N	355.439	2.417	10	10	FECE	
O=C(CN1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2)c1ccc(O)c(O)c1	2104398126	VETFWNANXWZLTF-WMZOPIPTSA-N	352.434	2.487	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)NCCCCN=[N+]=[N-])O2)C1	2084601515	TWJCPNJFBSBIAK-LBPRGKRZSA-N	353.423	2.362	10	10	FECE	
C[C@@H]1C[C@](O)([C@@H](N)c2ccc3c(c2)CCN3C)CN1C(=O)OC(C)(C)C	2106848354	HSOUUDQIBIWJEP-ASUYLVSUSA-N	361.486	2.439	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NCc3cc4c(cc3O)OCO4)[C@H]2C1	2095035832	PWEJHVFUPLQEIH-MELADBBJSA-N	362.426	2.466	10	10	FECE	
Cc1nc(S(=O)(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])c(Br)n1C	2234175320	BFSLPENXVYPUNI-SFYZADRCSA-N	363.241	2.001	10	10	FECE	
C[C@@](NC(=O)C=Cc1ccc(O)c(O)c1)(C(N)=O)c1cccc(Cl)c1	2307989589	DRPOUUNIHPGPEA-SFHVURJKSA-N	360.797	2.281	10	10	FECE	
C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)C=Cc1ccc(O)c(O)c1	2308006186	ZKWIWSGRHJEZCR-CYBMUJFWSA-N	365.389	2.026	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])CCCOC1	2312334009	IVFSXHASWRSYCI-WQGACYEGSA-N	353.423	2.408	10	10	FECE	
COc1ccccc1N/C=C1\C(=O)NC(=O)N(c2ccccc2F)C1=O	2892959	CZWWQXYXYBBROQ-ZHACJKMWSA-N	355.325	2.413	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCc3cccc(N(C)C)n3)CC2)cc1	179676117	GVAWRIXKAVPZPN-UHFFFAOYSA-N	369.469	2.188	10	10	FECE	
CCN1C(=O)/C(=C\c2cn(CC(=O)O)c3ccccc23)C(O)=NC1=S	35385759	VEERAJBGRCRZIJ-GHXNOFRVSA-N	357.391	2.213	10	10	FECE	
COc1cc(OC)cc(C(=O)N2CCN(c3ccc4c(c3)OCO4)CC2)c1	242664504	CTYXABAOCQOZPS-UHFFFAOYSA-N	370.405	2.395	10	10	FECE	
COc1cc(N2CCN(C(=O)NC[C@H]3C[C@H]3C)CC2)cc(OC)c1OC	273920615	IPHRFTVMSCZZRL-ZIAGYGMSSA-N	363.458	2.200	10	10	FECE	
Cc1ccc(CN(CCS(C)(=O)=O)C2CC2)c(O)c1Br	2381137792	QJXZOGHNOVFTCE-UHFFFAOYSA-N	362.289	2.472	10	10	FECE	
Cc1ccc(CN(C)C2CC(S(C)(=O)=O)C2)c(O)c1Br	2381139787	AZBZORFERCCCCI-UHFFFAOYSA-N	362.289	2.471	10	10	FECE	
CN(C)c1ccc([C@H](O)[C@H]2Cn3cnnc3CN2C(=O)OC(C)(C)C)cc1	2163065740	DHMCFPNPJRNELA-WBVHZDCISA-N	373.457	2.197	10	10	FECE	
CCOC(=O)c1ccc(CN(C)c2ccc(OCC(=O)OC)cc2)nc1	828790833	LNGCDWDKALTZMJ-UHFFFAOYSA-N	358.394	2.447	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NC[C@@H]3C[C@H]3C3CC3)cc2)C1	836660974	DQDQUWRSXJRTPK-LNLFQRSKSA-N	370.497	2.234	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CN[C@@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)cc2)C1	902758208	DSAGVYQAAHFEJH-WZKVNAJBSA-N	369.509	2.291	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@H]4CCCCN34)cc2)CC1	918831708	WJLXRXQRWYGQRZ-UXHICEINSA-N	356.514	2.072	10	10	FECE	
C[C@H](NC(=O)C1(CNC(=O)OC(C)(C)C)CC(O)C1)c1ccccc1O	1151900904	XQDVGNIIRIGTDN-GLIABKTBSA-N	364.442	2.235	10	10	FECE	
CCCN(CCC)S(=O)(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	849416631	UHJAUXHWVLWHDY-OAHLLOKOSA-N	355.504	2.230	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCN(CCCF)CC2)c([N+](=O)[O-])c1	858598487	FGKKZGWSBLKYOJ-XQRVVYSFSA-N	351.378	2.263	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Nc3cccc(C(N)=O)c3)C2)cc1	853237834	XWKLZMUWBNQKIL-OAHLLOKOSA-N	354.410	2.195	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)NCC(O)(C3CC3)C3CC3)C2)cc1	854187224	IZTLMAQLDCAEMT-HNNXBMFYSA-N	373.497	2.372	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ocnc1C(F)F	860397588	WKUBIBXPSOGOAS-UHFFFAOYSA-N	367.352	2.494	10	10	FECE	
CN1CCCc2cc(CNC(=O)NC[C@H]3CC4(CCOCC4)CO3)ccc21	869032532	MXZFMYZVCCTJGE-GOSISDBHSA-N	373.497	2.454	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CNC2(c3cc(C)no3)CCOCC2)c1O	862542216	ILCLYUUNXSQTOY-UHFFFAOYSA-N	363.370	2.401	10	10	FECE	
COc1cc(Br)cc(CN2CCSC[C@H]2CCO)c1O	770305723	JOEYWCPMSPSWJM-GFCCVEGCSA-N	362.289	2.463	10	10	FECE	
O=C(Nc1nncs1)C1CCN(Cc2cc(F)cc(F)c2O)CC1	894766556	PZZDVJZIWIYODG-UHFFFAOYSA-N	354.382	2.373	10	10	FECE	
CCCN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@@H]1CCS(=O)(=O)C1	895589704	FTRDZFUAGUMADQ-LLVKDONJSA-N	369.464	2.352	10	10	FECE	
COCCNC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S	1135437586	DXFIDWZIQVRSDP-RAXLEYEMSA-N	368.455	2.180	10	10	FECE	
CN(C)c1ccc([C@@H](CN)N2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)cc1	1881163466	XAVSLFUPUREXPQ-RCCFBDPRSA-N	360.502	2.446	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3cc(F)cc(F)c3N)cc2)CC1	1153443995	VBXBPBQRKKFYGZ-UHFFFAOYSA-N	360.408	2.229	10	10	FECE	
O=C(CN1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1)c1ccc(O)c(O)c1	705606963	WZGQNFNUBJUZRB-QZTJIDSGSA-N	352.434	2.344	10	10	FECE	
COc1ccc(C(=O)N2CCC[C@H]2C(=O)NCc2cccc(O)c2O)cc1	1347542068	IHEZCGSTVSCOIL-INIZCTEOSA-N	370.405	2.027	10	10	FECE	
COC(=O)c1cc(-c2ccccc2CNC(=O)c2cccc(O)c2O)[nH]n1	1446926987	HGQLEKHGBNVNFP-UHFFFAOYSA-N	367.361	2.205	10	10	FECE	
COc1ccc(CNC(=O)/C=C\C(=O)NCc2ccc(N(C)C)cc2)cc1	1440642718	AAIBXLVNWQEOKS-SEYXRHQNSA-N	367.449	2.250	10	10	FECE	
O=C(CCCCCO)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	1446238191	AEAKINPXUNSIHH-UHFFFAOYSA-N	359.514	2.388	10	10	FECE	
CC1=NO[C@](C)(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1	1458009703	FXIFNNUNRPWQNU-NRFANRHFSA-N	370.497	2.390	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](O)[C@@H]2C)C1	1297977688	VCKCOCRLPRDRME-YWZLYKJASA-N	355.482	2.390	10	10	FECE	
COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)c(O)c1	1296969108	XQUWKWNTQKDCSU-CYBMUJFWSA-N	358.369	2.209	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1	1622297087	PYBLXVFIURXTQX-LSDHHAIUSA-N	372.381	2.407	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1	1626635768	LDAUWJMNXOBEOO-SFHVURJKSA-N	370.405	2.074	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC(N[C@@H]3CCOC3)C2)c1	1635942508	VORBGVLGKMGNLG-GOSISDBHSA-N	367.449	2.110	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)N1CSCCSC1	1567468002	XNLWPSJMWHUOPK-RYUDHWBXSA-N	356.513	2.231	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)NCCn1cc(-c2ccccc2)nn1	1648888558	XVOFYXBMGWPZAO-VQHVLOKHSA-N	350.378	2.186	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCC[C@H]1CN=[N+]=[N-])[C@H]1CCOC1	2124506746	AJGXIIPUUCZBDD-IHRRRGAJSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](O)C[C@H]1C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2124539570	XEWHYBCPECKCPY-RDBSUJKOSA-N	367.450	2.296	10	10	FECE	
NC(=O)c1cn(CC(=O)NCc2cccc(Cl)c2O)c2ccccc12	1653564083	ZLNOITZVAYFTMV-UHFFFAOYSA-N	357.797	2.416	10	10	FECE	
Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC[C@@H]2CN=[N+]=[N-])cn1	2124536736	SLJOKEMJUFRVEX-OLZOCXBDSA-N	363.422	2.287	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N2CCOc3c(F)ccc(F)c32)c1	1585490628	GDYXPSBTCXDQSN-GORDUTHDSA-N	359.332	2.158	10	10	FECE	
CCn1cnnc1Cn1c(CC(C)C)nnc1N(C)Cc1ccccc1O	1765356216	FNFCRSQZIHKBIF-UHFFFAOYSA-N	369.473	2.478	10	10	FECE	
COc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1C	1651452862	PZNMKYKSARHOFX-HOTGVXAUSA-N	350.459	2.464	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1	2132412003	ZKAMPGSCIWGXSL-PWSUYJOCSA-N	366.414	2.227	10	10	FECE	
COCCOCCN(Cc1ccccc1)C(=O)c1cc(O)c(O)c(O)c1	2132399397	FLIPRQCJCRLMJB-UHFFFAOYSA-N	361.394	2.109	10	10	FECE	
Cc1cccc(CNC(=O)c2cn(C)[nH]c2=NC(=O)OC(C)(C)C)c1O	2139758635	SIEKOKSPNXCUPV-UHFFFAOYSA-N	360.414	2.133	10	10	FECE	
CCNCc1ccc(N(C)CCS(=O)(=O)CC)cc1Br	2170436318	YUKHKMIONVOHFJ-UHFFFAOYSA-N	363.321	2.430	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)CCOc1ccc(N)cc1	2162969487	QCAKSZVXPNDKII-YPMHNXCESA-N	373.375	2.096	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)COc1ccc(N)cc1	2044203867	DOPXUEXGFKCOKW-CYBMUJFWSA-N	351.447	2.409	10	10	FECE	
C[C@](NC(=O)C(F)(F)F)(C(=O)N1CC[C@@H](CN=[N+]=[N-])C1)C(F)(F)F	2060640739	YEUJCGIDRJEEAX-RCOVLWMOSA-N	361.246	2.145	10	10	FECE	
C[C@@H]1OC2(CNC(=O)OC(C)(C)C)CC1(NCc1ccc(O)c(O)c1)C2	2100614853	AUXFVBLENAFQNH-RMEHTXHKSA-N	364.442	2.402	10	10	FECE	
COc1ccccc1NC=C1C(=O)NC(=O)N(c2ccc(F)cc2)C1=O	2297317922	JVYGHUCEQLSSAH-UHFFFAOYSA-N	355.325	2.413	10	10	FECE	
COc1cccc(C=C2C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1	2297340395	AONTVRJLQSGMPC-UHFFFAOYSA-N	367.317	2.270	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2312333615	RQMVEUGZWBYTMG-QNWHQSFQSA-N	353.423	2.264	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])C[C@H](O)C1(C)C	2333612100	FGKJTQKYPBJQLT-UWCDFFNFSA-N	367.450	2.388	10	10	FECE	
COC[C@]1(C(=O)N2CCC(N=[N+]=[N-])CC2)C=CCN1C(=O)OC(C)(C)C	2336338520	PDBJPFAWEBXLQU-KRWDZBQOSA-N	365.434	2.480	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)N1CCc2cc(O)c(O)cc2C1	2341196821	ODHHKSFJHQDBNR-JSGCOSHPSA-N	362.426	2.143	10	10	FECE	
CC(C)(C)OC(=O)N1CC=C[C@H]1C(=O)N1CCc2cc(O)c(O)cc2C1	2341200246	AHDUEMXNZKMKMA-AWEZNQCLSA-N	360.410	2.158	10	10	FECE	
Cc1ccc([C@H]2CC(=O)NC(NC(=O)c3cccc(N(C)C)c3)=N2)cc1	20924306	KFFLYXIDVLNSSH-QGZVFWFLSA-N	350.422	2.408	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N(CC(F)(F)F)c2ccccn2)c1	110244027	IBJMISCZWWJFSM-AATRIKPKSA-N	364.327	2.445	10	10	FECE	
COc1ccc(N2CCN(C(=O)CSCc3cc(C)ncn3)CC2)cc1	292196367	ZLFLTTXBYHWVFA-UHFFFAOYSA-N	372.494	2.376	10	10	FECE	
CCc1nc(CNC(=O)C(=O)NCc2ccc(N(C)C)cc2C)cs1	805192247	CMZMEZJWLPPETJ-UHFFFAOYSA-N	360.483	2.013	10	10	FECE	
CNC(=O)[C@H]1CCCN1C(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2	651221911	GAFLUXXWYSDZMG-LJQANCHMSA-N	369.465	2.266	10	10	FECE	
COc1ccc(O)c(CNC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c1	734014924	MSXVUQJKFAIBIC-GOSISDBHSA-N	370.405	2.448	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCC(N3[C@H]4CC[C@H]3CNC4)CC2)c1O	903501008	FVFZOVOWFBIDDH-ROUUACIJSA-N	361.461	2.135	10	10	FECE	
CCn1nc(C)cc1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	837708778	XSWNLJBXMZSTBR-UHFFFAOYSA-N	364.396	2.256	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3CCn4nncc4C3)c2C)cc1	848270339	UNYLNIHOAJYRSN-UHFFFAOYSA-N	351.410	2.350	10	10	FECE	
CCO[C@@H]1CN(C(=O)NCc2ccc(N(CC)CC)c(F)c2)C[C@H]1CN	846143748	HAIDBWMACYEVKP-CRAIPNDOSA-N	366.481	2.177	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N3CCOC[C@@H]3CCO)cc2)CC1	758469952	IIEIAVPWRSAVBX-IBGZPJMESA-N	361.486	2.216	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3NCCc4ccccc43)C2)cc1	852900276	KGAAVAVMYIAWPW-OXJNMPFZSA-N	351.450	2.277	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@@H](Cn2ccnn2)C1	854176361	FRCCRUMFRZFCBZ-IAGOWNOFSA-N	370.501	2.315	10	10	FECE	
Cc1oc(C(=O)NCCCSc2nccs2)cc1S(C)(=O)=O	859352011	LZHQLHVYJQBAOW-UHFFFAOYSA-N	360.482	2.360	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3c(C)nn4cccnc34)C2)cc1	855233075	WJCHGWWNIIEBSA-AWEZNQCLSA-N	351.410	2.055	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H]3COc4ccccc4O3)C2)cc1	855229769	QGBDDHLEOKRSHE-AUUYWEPGSA-N	354.406	2.230	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3cccnc3Cl)C2)cc1	850537158	NHBBAEAOFABHPZ-GFCCVEGCSA-N	374.828	2.077	10	10	FECE	
Nc1ccc(CCNC(=O)CN2CC[C@H](c3ccccc3)NC2=O)cc1	852797366	QDMXAGKHRAEWBC-GOSISDBHSA-N	352.438	2.084	10	10	FECE	
C[C@H]1C[C@H]1c1noc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)n1	865909102	XFJXDPBGRBZHSB-SUMWQHHRSA-N	370.453	2.332	10	10	FECE	
CNc1ncc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)s1	763926398	FQVFTHBLKGGOBZ-UHFFFAOYSA-N	360.483	2.324	10	10	FECE	
COC(=O)c1scc(C)c1S(=O)(=O)N1Cc2cccc(O)c2C1	867690739	LOIVELIVIOJIAJ-UHFFFAOYSA-N	353.421	2.253	10	10	FECE	
CN(C)c1ccc(CN(C(=O)C(=O)NC[C@@]2(C)CC2(F)F)C2CC2)cc1	1118497454	HFXDUHXDSACSBU-GOSISDBHSA-N	365.424	2.405	10	10	FECE	
CC(=O)NC1CCC(C(=O)NCc2cc(Br)ccc2O)CC1	1123779823	JJHDKUAFTJGURW-UHFFFAOYSA-N	369.259	2.466	10	10	FECE	
COC(=O)NCCOC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	774109779	FAMKSMOATYISIJ-UHFFFAOYSA-N	373.453	2.307	10	10	FECE	
COc1cccc(CNC(=O)c2nn3c(c2Br)CCC3)c1O	896116630	MOQRIDFZGDQXFM-UHFFFAOYSA-N	366.215	2.236	10	10	FECE	
CCn1cc(-c2nn(C)cc2C(=O)N2CCN(C)c3ncc(C)cc32)cn1	1134948846	LLDDDZJWFOWEJQ-UHFFFAOYSA-N	365.441	2.104	10	10	FECE	
COC(=O)N1CC(NC(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)C1	1154736059	POEZTAOAGYRMOU-UHFFFAOYSA-N	369.421	2.395	10	10	FECE	
O=C(O)[C@@H]1CC[C@@H](C(=O)NCc2ccccc2O)N1Cc1ccccc1	688953948	HYGKHMYWPAWXCR-IRXDYDNUSA-N	354.406	2.126	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)Nc2c(Cl)ccc3nonc23)c1	1324140173	FUKQEXUOHCRSCZ-GORDUTHDSA-N	357.757	2.283	10	10	FECE	
CCN1CCN(C(=O)Cn2c3c(c4cc(OC)ccc42)CCCC3)CC1=O	1435843184	LTUROACZTFTLIS-UHFFFAOYSA-N	369.465	2.219	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1nn(CC)cc1Cl	1451918813	QXBJYXBGHOQTPE-UHFFFAOYSA-N	365.817	2.468	10	10	FECE	
CCOCCCN(C[C@@H](C)C(=O)OC)C(=O)/C=C\c1ccc(O)c(O)c1	1465195711	RDUFCRWXLOCULL-IUCKJTJTSA-N	365.426	2.175	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1nc(C)sc1C	1466674093	HPGBYXSKRQIXQH-LBPRGKRZSA-N	364.423	2.075	10	10	FECE	
CCn1ccc(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c1C	1627050672	TXNBTVWMJRVSCH-UHFFFAOYSA-N	370.497	2.377	10	10	FECE	
C[C@@H](C(=O)N1CCC[C@H]1CN=[N+]=[N-])N1CCN(C(=O)OC(C)(C)C)CC1	2124513003	OMQQDWIAUQIOCL-KBPBESRZSA-N	366.466	2.229	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H](c2nc(O)n[nH]2)C1	1568147254	NTMSYMQYASESOI-MRVPVSSYSA-N	360.395	2.156	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@](C)(O)c3ccccc3)CC2)c(OC)c1	1634886500	KWWVPEAIVMGIBK-NRFANRHFSA-N	370.449	2.260	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCC(CN=[N+]=[N-])CC2)CC1	2126930728	HCDJZTOUXCDLCD-UHFFFAOYSA-N	367.450	2.297	10	10	FECE	
CC(C)[C@H](O)CCNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	1683196038	XQJXIRIJHXYPMV-MRXNPFEDSA-N	371.428	2.008	10	10	FECE	
O=C(NN1C(=O)/C(=C\c2ccncc2)SC1=S)c1cccc(O)c1	5705918	ALBMACMTSGILHE-MDWZMJQESA-N	357.416	2.333	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@@H]1NCc1cccc(O)c1O	387917502	BCBGQGOIQNZXKZ-DPAVQSFQSA-N	364.442	2.258	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@]12C[C@](CNC(=O)OC(C)(C)C)(CO1)C2	2315987165	OGLIWIJAQNKVCF-IYBDPMFKSA-N	353.423	2.219	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1	2044647133	XSFVUTBFKXPJSH-HNNXBMFYSA-N	369.487	2.040	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2ccc(O)c(O)c2)C1	2054401330	QHAKHWZYMIVSGK-LBPRGKRZSA-N	350.415	2.427	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)N(C)CCCN=[N+]=[N-])CN(C(=O)OC(C)(C)C)C1	2060634249	XFICDKPMMHTIQF-CHWSQXEVSA-N	355.439	2.417	10	10	FECE	
COCC1(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CN(C(=O)OC(C)(C)C)C1	2060619908	SKPURSRPQZLNHT-LBPRGKRZSA-N	353.423	2.029	10	10	FECE	
CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)Cc1ccc(N)cc1	2084784821	QWPSNVNBYUBWFF-LSDHHAIUSA-N	365.499	2.278	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C	2106849604	YHCDSEJDQLUQOH-JFIYKMOQSA-N	361.486	2.479	10	10	FECE	
CN1CCc2cc([C@H](N)[C@@](C)(O)[C@H]3CCN3C(=O)OC(C)(C)C)ccc21	2107325152	RXYQLSLGHCTTPE-UWVAXJGDSA-N	361.486	2.439	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-]	2218742334	QNQGXNYMDXQPAA-QNWHQSFQSA-N	353.423	2.264	10	10	FECE	
COc1cccc(O)c1CN[C@]12CO[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)C2	2334239518	QPVVUIZUIBLAME-CRFBAAHOSA-N	364.442	2.315	10	10	FECE	
COc1ccc(CN[C@]23CO[C@H](C2)[C@H](NC(=O)OC(C)(C)C)C3)c(O)c1	2334235832	QUZYSFNGXMFEDQ-OGWOLHLISA-N	364.442	2.315	10	10	FECE	
CN(C)c1ncccc1CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1	108776372	VHEONUDWTJZXET-JXMROGBWSA-N	366.465	2.314	10	10	FECE	
CCOc1ccc(-n2c(C)cc(C(=O)CN3C[C@H](O)C[C@@H]3CO)c2C)cc1	184723915	JUWQCGPAPUYNMU-QZTJIDSGSA-N	372.465	2.103	10	10	FECE	
C[C@H](Oc1cccc(CO)c1)C(=O)N1CCOc2cc(N(C)C)ccc21	180492318	YRUWHNAUEQPZQH-AWEZNQCLSA-N	356.422	2.438	10	10	FECE	
O=C1[C@@H](NCc2cc3c(cc2O)OCO3)CCN1Cc1ccc(F)cc1	191758593	CTMOWCQWODEBAB-HNNXBMFYSA-N	358.369	2.151	10	10	FECE	
Cc1cnc(CNC(=S)Nc2ccc(S(=O)(=O)O)cc2)c(C)c1	243182434	JWXUDALSQBTMCA-UHFFFAOYSA-N	351.453	2.432	10	10	FECE	
Cc1ccc(CN(C)CCc2n[nH]c(=N)s2)c(O)c1Br	2381126576	ABRMJSVTASIWIP-UHFFFAOYSA-N	357.277	2.402	10	10	FECE	
COC(=O)[C@H]1CCN(Cc2cc(Cl)c(F)cc2O)[C@H](C(=O)OC)C1	293662609	PRHINPVUCFUPQZ-ZANVPECISA-N	359.781	2.111	10	10	FECE	
CC(C)(C)OC(=O)NCCCN1C(=O)CN(Cc2ccccc2O)C1=O	819166124	NASGKRUBZCORTO-UHFFFAOYSA-N	363.414	2.071	10	10	FECE	
NS(=O)(=O)c1cc2c(s1)CCN(Cc1cc(Cl)ccc1O)C2	827769457	MPAHOTOXARQRJK-UHFFFAOYSA-N	358.872	2.313	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)N3C[C@@H](C)[C@H]3C)CC2)cc1	837392212	UEKQNDFEYWZINL-IAGOWNOFSA-N	360.502	2.257	10	10	FECE	
Cc1cc(CC(=O)NC[C@@H](O)c2cnn(C)c2)c(C)n1-c1ccccc1	830272942	SPNGDKQTSKYCMJ-LJQANCHMSA-N	352.438	2.220	10	10	FECE	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)Nc1ccccc1	918777704	NOXKUDLETFPPDI-UHFFFAOYSA-N	359.451	2.243	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCn2c(CC3CC3)nnc2C1	844993318	VESVIESQDFNSGT-UHFFFAOYSA-N	368.485	2.330	10	10	FECE	
Nc1ccc(Cc2nc(C(=O)NC[C@H]3CN(C4CC4)C(=O)O3)cs2)cc1	848442178	AVJCMOSZCFSWEV-AWEZNQCLSA-N	372.450	2.029	10	10	FECE	
COc1cc(Br)cc(CNC[C@@H]2CN(C3CC3)C(=O)O2)c1O	848578857	TYUCCGBMMQOASU-GFCCVEGCSA-N	371.231	2.236	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)CO[C@H](C)c2nccn2C)cc1	844857398	VULAIWMUDXYDRS-OAHLLOKOSA-N	360.458	2.101	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCCN3CCCC[C@H]3C)C2)cc1	849225438	URUDXSHVKZBCOY-SJORKVTESA-N	360.502	2.448	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CCCNC(=O)C(C)(C)C)C2)cc1	855233474	YVBXTFHLJFEQMU-HNNXBMFYSA-N	361.486	2.333	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC(C)(C)c3cnn(C)c3)C2)cc1	854299917	MAUJETPFZAMJEE-HNNXBMFYSA-N	357.458	2.242	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H](C)c3nccn3C)C2)cc1	852388075	WYXMJOLFKAYLQC-GJZGRUSLSA-N	357.458	2.315	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3cn4ccsc4n3)C2)cc1	853250319	VZSYEKCJANMQSY-ZDUSSCGKSA-N	371.466	2.483	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3n[nH]cc3C(F)(F)F)CC2)cc1	864469669	AYEMZLZDBHULJG-UHFFFAOYSA-N	354.332	2.400	10	10	FECE	
CN(Cc1cc2c(cc1O)OC[C@H]2O)Cc1cn(C)nc1C(F)(F)F	768464038	ZEVOALRDBIODSB-CYBMUJFWSA-N	357.332	2.202	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1ccc(C)nc1	1116646484	ILSXJIKYIGHGRP-DYLHUKMJSA-N	370.405	2.105	10	10	FECE	
CCOC(=O)c1cnc(N(C)Cc2ccc(N3CCOCC3)cc2)cn1	777703157	DUYPLCVXUPDVLN-UHFFFAOYSA-N	356.426	2.126	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@@H]4CC[C@@H](O)[C@@H]43)C2)cc1	875680862	YNZLHCJDGLVABS-WTLGNFPFSA-N	359.470	2.076	10	10	FECE	
Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(O)cc1C(=O)O	776434946	SAJQAXZXXXYEPL-UHFFFAOYSA-N	367.427	2.361	10	10	FECE	
CCOC(=O)[C@H]1[C@H]2CN(c3cc(OC)c(OC)cc3[N+](=O)[O-])CC[C@H]21	895587555	YSLKRCVTTWJNAH-OHUAYANFSA-N	350.371	2.247	10	10	FECE	
COC(=O)c1c(CN2CC[C@@H](Cn3ccnn3)C2)c2cc(F)ccc2n1C	895227511	CCISDRXLQKCYQL-CYBMUJFWSA-N	371.416	2.218	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)NOCC(F)F	793185209	GKJSMCOCBJRGEL-UHFFFAOYSA-N	368.428	2.215	10	10	FECE	
CCc1cc(O)ccc1NS(=O)(=O)c1ccccc1S(C)(=O)=O	790417166	JJZDONLFWNCGGB-UHFFFAOYSA-N	355.437	2.159	10	10	FECE	
Cc1ccc(S(=O)(=O)CCC(=O)NCc2c(O)cccc2F)cc1	1156164367	YEJBQSIIJQDLQM-UHFFFAOYSA-N	351.399	2.320	10	10	FECE	
C[C@H](CCNC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	1962938021	CGDCBDGALPVIJF-GFCCVEGCSA-N	352.431	2.307	10	10	FECE	
O=C1CC[C@]2(C(=O)NCc3cc(O)ccc3O)Sc3ccccc3N12	1176748436	SKLALUDKAQQLPV-GOSISDBHSA-N	356.403	2.343	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)N3CCCC3(C)C)CC2)cc1	1322197715	LVNZHICHKLTQOQ-UHFFFAOYSA-N	359.470	2.181	10	10	FECE	
CC1(C)[C@@H](CNC(=O)C(=O)NCCCSc2nccs2)C1(F)F	1334084114	RVKZNOWWPZLGNR-SECBINFHSA-N	363.455	2.149	10	10	FECE	
COc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1S(C)(=O)=O	1299414000	JQOMYVLLJWRTIJ-XBXARRHUSA-N	363.391	2.162	10	10	FECE	
CSc1ncc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(O)n1	1540536463	FAOOOTUDHDPONL-UHFFFAOYSA-N	374.466	2.013	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1ccc(F)c(N2C(=O)CCC2=O)c1	1627119586	RJPMGBZTSXFIDF-UHFFFAOYSA-N	358.325	2.072	10	10	FECE	
CON(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc2c(c1)CCCN2C	1555762960	DGQPTYHHMLWBPQ-UHFFFAOYSA-N	367.457	2.107	10	10	FECE	
Cc1ccc(C(=O)N2CC(NC3COC3)C2)cc1-n1c(C)cc(C=O)c1C	1558611815	VWIXRDHIKRSXCS-UHFFFAOYSA-N	367.449	2.028	10	10	FECE	
Cn1nccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N=[N+]=[N-])CC1	2124513133	AIWVMPLTNJEIAX-ZDUSSCGKSA-N	363.422	2.287	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(Cc2ccc(F)cc2O)C1	1964725190	WFKHTQUDBGPNAM-KRWDZBQOSA-N	354.378	2.085	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](C(=O)NCc1ccccc1O)[C@@H]1CCOC1	1964890083	PTDGDNNIFGVUFL-HUUCEWRRSA-N	364.442	2.186	10	10	FECE	
Cc1cccc(CNC(=O)[C@]2(CO)CCCN2C(=O)OC(C)(C)C)c1O	2139759966	MPUUFFMPCNQDLU-LJQANCHMSA-N	364.442	2.079	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CCCc3cccc(O)c32)=C[C@@H]1O	2188053199	LNOHRVZVNAUIAU-HOCLYGCPSA-N	374.437	2.256	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)C[C@@H]1COCC[C@@H]1NC(=O)OC(C)(C)C	2060613990	XIIWCKTWNOMIQS-OLZOCXBDSA-N	355.439	2.465	10	10	FECE	
CO[C@H]1C[C@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060614443	CJNUYXQGQQIJLF-RWMBFGLXSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2073249909	GQBJZMXVSXZLFQ-QWHCGFSZSA-N	355.439	2.201	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1	2084600292	JABHXXBUNQBUEX-LBPRGKRZSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](NCc2ccc(O)c(O)c2)C[C@@]12CCOC2	2098975079	FTQGHCWLSMKIKI-AUUYWEPGSA-N	364.442	2.356	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])O1	2218742477	CTEHUBHYIQHUHT-UMSGYPCISA-N	353.423	2.406	10	10	FECE	
Cc1ccc(CNCC(F)(F)C2(O)CN(C(=O)OC(C)(C)C)C2)c(O)c1	2272872387	AVWFXJYFPXHJDP-UHFFFAOYSA-N	372.412	2.407	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C(=O)N3CC[C@@H](N=[N+]=[N-])C3)O[C@H]2C1	2273721920	LTOOVMKQOXDPQU-DGAVXFQQSA-N	365.434	2.312	10	10	FECE	
CN1C(=O)C(=Cc2c[nH]c3ccc(Br)cc23)C(=O)NC1=S	2293355548	BHVIWVUMKHFFCM-UHFFFAOYSA-N	364.224	2.187	10	10	FECE	
COc1ccc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(OC)c1	2295891396	QQHCHEMEOBPCQB-UHFFFAOYSA-N	366.373	2.366	10	10	FECE	
CCCOc1cccc(C=C2SC(=S)N([C@H](CO)C(=O)O)C2=O)c1	2323831533	AGETWHXLCXGTDX-GFCCVEGCSA-N	367.448	2.122	10	10	FECE	
COc1ccc(C(=O)C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1	177282357	KWSKOXIJPYLAES-UHFFFAOYSA-N	372.396	2.374	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(N(C)C)nc1	125827893	NKRBMVVASHLUII-UHFFFAOYSA-N	356.426	2.231	10	10	FECE	
NC(=O)NC(=O)CN(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2	98054067	CWIYCRUHVUHTMB-DAXSKMNVSA-N	367.405	2.173	10	10	FECE	
CN(C)C(=O)[C@H]1CCCN1CCCNCc1cc(Cl)c(F)cc1O	294175154	JIGCWTAGQIZIGL-OAHLLOKOSA-N	357.857	2.217	10	10	FECE	
CCN1CCC(NC(=O)NCc2cc(Br)ccc2O)CC1	805178036	BAZFJIOIVGOQEX-UHFFFAOYSA-N	356.264	2.438	10	10	FECE	
CN(CC1(S(C)(=O)=O)CCC1)c1ccc(CN)c(Br)c1	2167830068	BVUQAZYQJCUBAB-UHFFFAOYSA-N	361.305	2.311	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ccn(-c3ccc(N)cc3)n2)C1	2163056436	RRNIYFUDSMBHAY-AWEZNQCLSA-N	371.441	2.194	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc(CN4CCCC4)on3)CC2)cc1	290899552	DVYXDDTXOAIOAB-UHFFFAOYSA-N	370.453	2.241	10	10	FECE	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2CCNC(=O)CC2)cc1	815152992	DRUNMYUVXLCGBC-HKUYNNGSSA-N	373.497	2.177	10	10	FECE	
NC(=O)c1csc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1	814365547	PINTTYOHMCBYBH-UHFFFAOYSA-N	371.510	2.386	10	10	FECE	
CCN1C(=O)[C@H]2CN(Cc3ccc(N4CCCCC4)c(C)c3)CCN2C1=O	828015298	CWIGALKUDLDMKX-LJQANCHMSA-N	370.497	2.454	10	10	FECE	
C[C@@H]1O[C@H](C)CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@H]1C	823537042	KSCWJFVKFWCJCK-PMPSAXMXSA-N	361.486	2.355	10	10	FECE	
CCOC(=O)c1cc(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)on1	822999804	QCDVHMRFANMEFV-UHFFFAOYSA-N	373.409	2.259	10	10	FECE	
O=C1Cc2c(C(=O)NCc3ccc(N4CCSCC4)cc3)ccnc2N1	822554287	UWJSLTKGJCWJGQ-UHFFFAOYSA-N	368.462	2.059	10	10	FECE	
COC(=O)c1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(C)o1	823291017	CACDYAVIQCRKFY-UHFFFAOYSA-N	358.394	2.141	10	10	FECE	
CCOC(=O)C[C@@H](C)N(C)C(=O)/C=C\c1ccc(N2CCOCC2)cc1	588426854	COFVJBXOLPLMNI-BSDKJSHOSA-N	360.454	2.337	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)C2)cc1	849416346	PLEWLDYHXJSIFP-JYJNAYRXSA-N	367.515	2.086	10	10	FECE	
O=C1N[C@@]2(C(=O)NCc3ccc(N4CCCCC4)cc3)C[C@H]3C[C@@H]1[C@H]2C3	845312062	LTBUGHJJZBTKDQ-VZRKHXGSSA-N	353.466	2.208	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)[C@H](O)c3ccccc3OC)C2)cc1	911277035	RKPHDHFWMCEBMY-FOIQADDNSA-N	370.449	2.380	10	10	FECE	
CC(C)(C)OCC(=O)NC(C)(C)C(=O)NCCCSc1nccs1	845506918	RBBDJRIJEUESNS-UHFFFAOYSA-N	373.544	2.451	10	10	FECE	
CNc1cnc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cn1	858625974	IMHQQJUPUMJTEP-CHWSQXEVSA-N	373.432	2.201	10	10	FECE	
O=C(Nc1ccc(O)c(CNC(=O)[C@H]2CCC=CO2)c1)[C@@H]1CCC=CO1	923121588	GRHAZMHFQRPBOM-SJORKVTESA-N	358.394	2.332	10	10	FECE	
CC1(C)OC[C@H]2C[C@@]21C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	854906222	QUJWBVVWKVMPAV-YJYMSZOUSA-N	366.408	2.233	10	10	FECE	
CC[C@H](C[C@@](C)(O)CC)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	925055966	QVGACJXNDAWOKK-MJGOQNOKSA-N	368.543	2.341	10	10	FECE	
C[C@@H]1OCCO[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	931202058	BVJWCJTUMWOOLV-SNRMKQJTSA-N	362.470	2.064	10	10	FECE	
C[C@@H](NC(=O)[C@@H]1CCCN(C2CC2)C1=O)c1ccc(N2CCOCC2)cc1	930743077	BWZCBOWGTOXSPY-BEFAXECRSA-N	371.481	2.101	10	10	FECE	
COc1cc(NC(=O)C(=O)NCc2cc(C)ccc2O)c(C)c(OC)c1	862024912	JOPOOJPBSJCYPH-UHFFFAOYSA-N	358.394	2.281	10	10	FECE	
C[C@H](NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2N)cc1)c1ccc(N(C)C)cc1	868234444	RCMJEYWKJBHAAP-FASAQXTFSA-N	366.465	2.383	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)C[C@H]1CCC1(F)F	866430395	QKFFQOKCCBSDTD-OAHLLOKOSA-N	374.453	2.330	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3nc([C@H]4C[C@H]4C)no3)CC2)cc1F	865952407	SMEVRIGNSBIORT-YPMHNXCESA-N	360.389	2.303	10	10	FECE	
Cc1ccc(O)c(CNC(=O)CN2CCN(Cc3ccccc3)CC2)c1	862758889	PJMDNQAISIEAKB-UHFFFAOYSA-N	353.466	2.135	10	10	FECE	
Cc1cnc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(O)c1	763249784	BCOZSFXHOQXJGP-UHFFFAOYSA-N	359.401	2.126	10	10	FECE	
C[C@H](N[C@H](C)C(=O)NC(=O)NCC(F)(F)F)c1ccc(N(C)C)cc1	774482612	GZYYBBQVBQAARZ-WDEREUQCSA-N	360.380	2.180	10	10	FECE	
COc1cc(C)c(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1OC	775286566	XOUNQUGKWCQDNE-UHFFFAOYSA-N	368.367	2.427	10	10	FECE	
COCCN1CC[C@H](N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1	784547115	ZUUDRENVEOEFLU-ROUUACIJSA-N	367.921	2.320	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)N2C[C@@H](CCO)[C@@H](CO)C2)c1C	1348198238	GVEVWTJQEKMIHU-QZTJIDSGSA-N	356.466	2.465	10	10	FECE	
CC(C)NC(=O)Cn1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C	1360298395	VYYKNVDTCBISOD-UHFFFAOYSA-N	359.474	2.442	10	10	FECE	
CCN(C)C(=O)Cn1c(CC(C)C)nnc1N(C)Cc1ccccc1O	1515300956	ICTUFXBUROETJA-UHFFFAOYSA-N	359.474	2.297	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)C1=C[S@](=O)CCC1	1291625738	BPZXOZOWDNQMAK-HSZRJFAPSA-N	350.509	2.282	10	10	FECE	
C[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO)c1ccc(O)cc1O	2116265171	JPLPTYWJJQQCBS-ZENOOKHLSA-N	366.458	2.366	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@]1(C(=O)OC(C)(C)C)CCCO1	1297562105	BKGNSEHFYRWKTN-IBGZPJMESA-N	370.442	2.385	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cccc2nc[nH]c12	1299697890	AFNGGHSJJZKTCB-UHFFFAOYSA-N	353.378	2.474	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1C(F)F	2118177172	YVXJMLZTNSZUIN-WDEREUQCSA-N	372.368	2.328	10	10	FECE	
O=C(CCC(=O)c1ccc2c(c1)CCC(=O)N2)NCc1ccc(O)cc1O	1469158997	IXLBPJWWHWVLQN-UHFFFAOYSA-N	368.389	2.262	10	10	FECE	
CN(C)C(=O)/C=C/C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	1611011820	XTFLKTQVIKNDQU-BQYQJAHWSA-N	367.396	2.017	10	10	FECE	
CC(=O)Nc1ccc(C(=O)NCc2cccc(Br)c2O)nc1	1623363663	KGJXWGDAGMIKHT-UHFFFAOYSA-N	364.199	2.438	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)NCC2(S(N)(=O)=O)CCC2)cc1	1638450548	MSIDNHPNLAFGNV-UHFFFAOYSA-N	361.467	2.035	10	10	FECE	
COC(=O)C1CN(C(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)C1	1637354694	BMJKABVLVQHUMP-UHFFFAOYSA-N	369.465	2.039	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1cccc(NC(=O)[C@@H]2CCCO2)c1	1645360709	FZESQPYQSOMSBW-KRWDZBQOSA-N	356.378	2.145	10	10	FECE	
COC(=O)[C@H](CC(=O)N1CCC[C@@H](N=[N+]=[N-])CC1)NC(=O)OC(C)(C)C	2124533754	FRNAAFCWWYVCPA-NEPJUHHUSA-N	369.422	2.134	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)NCC2(CN=[N+]=[N-])CC2)C[C@@H]2OCC[C@H]21	2124504165	WANPTGJIDHTZLT-AGIUHOORSA-N	365.434	2.360	10	10	FECE	
CNC(=O)N[C@H]1CCCN(Cc2ccc(N3CCC(OC)CC3)cc2)C1	1660148902	ZWULSVQAPWDPDM-KRWDZBQOSA-N	360.502	2.195	10	10	FECE	
O=C(c1cc(O)c(O)c(O)c1)N1CCCN(C(=O)C2CCCCC2)CC1	169845128	NDLAYNBDVDBPBG-UHFFFAOYSA-N	362.426	2.058	10	10	FECE	
C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc(O)c(O)c(O)c2)C1	2132348094	DTLISYNDENSIFY-CQSZACIVSA-N	356.422	2.398	10	10	FECE	
CN(Cc1nccn1Cc1ccccc1)S(=O)(=O)Cc1ccc(N)cc1	1915012579	RVVZXSLNMGRVJU-UHFFFAOYSA-N	370.478	2.475	10	10	FECE	
C[C@H](N)c1ccc(N2CC[C@H]3CS(=O)(=O)C[C@@H]32)c(Br)c1	2151276209	RQQOOYLATXGBDR-CHIMOYNISA-N	359.289	2.092	10	10	FECE	
COCCCCN(Cc1ccccc1)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1	2152211723	RBTNZNOAURESML-SFHVURJKSA-N	372.465	2.423	10	10	FECE	
COC[C@]1(NCc2cccc(O)c2O)CCN(C(=O)OC(C)(C)C)C1	2039840924	LIPPFHXHCBACLY-SFHVURJKSA-N	352.431	2.213	10	10	FECE	
NCc1ccc(N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1Br	708868101	KYSINXIXDMDLLB-OLZOCXBDSA-N	359.289	2.064	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@@H](C)CNC(=O)COc1ccc(N)cc1	2044200534	DOPXUEXGFKCOKW-ZDUSSCGKSA-N	351.447	2.409	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C1CC1)C(F)(F)C(=O)C(=O)C[C@H]1C[C@H](N)C1	2049782457	IXFQZEZHQBVMSK-IRUJWGPZSA-N	360.401	2.191	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2060617638	PFCVIMMAGJYIPJ-JHJVBQTASA-N	353.423	2.027	10	10	FECE	
Nc1ccc(S(=O)(=O)NCc2ccccc2O)cc1Br	2191705363	BEPSPAKUNMXKAA-UHFFFAOYSA-N	357.229	2.215	10	10	FECE	
NC(=O)N1C[C@@H]2C[C@H]1CN2Cc1cc(Cl)cc(Br)c1O	2192232404	IHIPFLFDQAILMZ-UWVGGRQHSA-N	360.639	2.145	10	10	FECE	
Cc1ccc(CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2CO)c(O)c1	2084071466	FDNSSEKUVKDGQP-CVEARBPZSA-N	350.459	2.408	10	10	FECE	
Cc1cccc(O)c1CNC1(C(N)=O)CCN(Cc2ccccc2)CC1	2104508952	JVGQRWACXNXDCM-UHFFFAOYSA-N	353.466	2.310	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(CCOc2ccc(N)cc2)CCO1	2106668611	JOISPIISLWZMCE-YOEHRIQHSA-N	365.474	2.262	10	10	FECE	
CCC[C@H](CNC(=O)c1cc(O)c(O)c(O)c1)NC(=O)OC(C)(C)C	2218566212	AYXLRQXQUOLBBG-LLVKDONJSA-N	354.403	2.227	10	10	FECE	
C[C@H](C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-])N1CCN(C(=O)OC(C)(C)C)CC1	2225792386	MSWGXWSTVOISGA-HZSPNIEDSA-N	366.466	2.275	10	10	FECE	
C[C@@H]1OC2(C(=O)N(C)CCCN=[N+]=[N-])CC1(NC(=O)OC(C)(C)C)C2	2254818904	TVLHKOAQYKFPFJ-SOISORPOSA-N	353.423	2.360	10	10	FECE	
C[C@@H](NC(=O)C12CC(NC(=O)OC(C)(C)C)(CO1)C2)c1ccccc1O	2266008037	NXNMMYMYTAISQB-PIHIASKNSA-N	362.426	2.396	10	10	FECE	
O=S1(=O)CCN(c2ccc(CO)cc2Br)CC12CCC2	2279590845	FWHUFFIXFPFPOX-UHFFFAOYSA-N	360.273	2.099	10	10	FECE	
CN(C)CCOC(=O)CN1C(=O)C(=Cc2cccs2)SC1=S	2296885271	MCBJBGXPTSJMHM-UHFFFAOYSA-N	356.494	2.054	10	10	FECE	
CN1C(=O)C(=C2CC(=O)N(c3ccc(C(=O)O)cc3)C2=O)c2ccccc21	2297472483	MCTFYCZEBPRQCH-UHFFFAOYSA-N	362.341	2.078	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)NCc1ccc(CO)c(F)c1	2299985200	BNKPYEVRIBBMGO-UHFFFAOYSA-N	370.424	2.484	10	10	FECE	
Cc1nc(CN2CCN(C(=O)C=Cc3ccc(O)c(O)c3)CC2)cs1	2307982084	MUOOYGATEBXPHZ-UHFFFAOYSA-N	359.451	2.220	10	10	FECE	
CCn1nnnc1-c1cccc(NC(=O)C=Cc2ccc(O)c(O)c2)c1	2307987687	DUHSEXBRTZNPMT-UHFFFAOYSA-N	351.366	2.423	10	10	FECE	
COc1ccc(N2C[C@@](O)(c3ccc(OC)cc3)[N+]3=C2SCC3)cc1	22405040	FZTZLYTUPYHILM-LJQANCHMSA-N	357.455	2.484	10	10	FECE	
CC(C)(C)OC(=O)NC1CC(NCc2ccc3c(c2)CCO3)(C(=O)O)C1	2345082938	LCVSNQOHYXBLSV-UHFFFAOYSA-N	362.426	2.222	10	10	FECE	
COc1cccc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1	102001498	OZDWFPICMXPLFJ-HNNXBMFYSA-N	370.453	2.487	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cn2nc(Cl)ccc2n1	97137096	CWRUEZNHGDYFMK-UHFFFAOYSA-N	371.828	2.149	10	10	FECE	
COc1ccc(N2CCN(c3cnc(C(=O)NC(C)(C)C)cn3)CC2)cc1	243383044	MHVUMIUFOLZMLU-UHFFFAOYSA-N	369.469	2.340	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O	249390946	BREICVMSDHZRBI-AEIBSFOJSA-N	373.522	2.151	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N(C[C@@H]2CCCO2)c2ccncc2)c1	255336333	VHLRDESTTFVLKF-XDXAGZTOSA-N	366.421	2.062	10	10	FECE	
CN(C)c1ccc(CN(C(=O)C2C[C@H]3COC[C@@H](C2)C3=O)C2CC2)cc1	377779195	LANFTQAACWDIFP-ALOPSCKCSA-N	356.466	2.485	10	10	FECE	
COC(=O)C[C@H]1COCCN1Cc1c(O)c(C(=O)OC)cc2ccccc12	808212854	XBAJIUPWYFDQPL-AWEZNQCLSA-N	373.405	2.096	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cnc(C2CC2)nc1	294595559	WBPFZMIQJVOYQQ-UHFFFAOYSA-N	356.401	2.260	10	10	FECE	
CS(=O)(=O)NC[C@@H]1CCC[C@H]1NCc1ccc(N2CCCCC2)cc1	800309886	OUCFEQOWLXQDCN-PKOBYXMFSA-N	365.543	2.484	10	10	FECE	
CCOC(=O)C[C@H](CO)NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C	820055422	YBJSEZCKRIDSMJ-OAHLLOKOSA-N	374.437	2.147	10	10	FECE	
O=C(N[C@H]1CCn2ccnc21)N(Cc1ccccc1O)C[C@H]1CCCO1	838635132	SEBRAEGAWVQOPQ-CVEARBPZSA-N	356.426	2.424	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCCCN2CCO)cc1	837726730	QBLATHDCVUYQNB-LJQANCHMSA-N	362.518	2.179	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCc3cc(S(N)(=O)=O)ccc32)cc1	835025702	ZDDFDSMUFZZXMD-ONEGZZNKSA-N	357.479	2.476	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CCCN3CCSC[C@H]23)c1	903271778	NTAQHLUBRNJNOL-VBNZEHGJSA-N	350.484	2.409	10	10	FECE	
O=C(NCc1cccc(Br)c1O)c1cn(CC2CC2)nn1	830529172	DYJIKBKZDWBAMN-UHFFFAOYSA-N	351.204	2.086	10	10	FECE	
Cc1cc(CCNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)nn1C	914400725	SAIDMQSDYMEMBR-MRXNPFEDSA-N	371.485	2.168	10	10	FECE	
COc1ccc(N2CCN(CCNCc3cc4n(n3)CCCC4)CC2)cc1	848531892	VTGSQEKOUUAMCP-UHFFFAOYSA-N	369.513	2.140	10	10	FECE	
C[C@H]1CN(c2ccc(CN3C(=O)N4CC5CC4(C5)C3=O)cc2F)C[C@@H](C)O1	849352405	VFJNYOFXGROHFH-CNECSQIESA-N	373.428	2.366	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCN(C)C[C@H]2c2cnn(C)c2)c1	849564589	QACQFWYMDOITTK-XCRHUMRWSA-N	372.469	2.047	10	10	FECE	
COc1ccc(N2CC[C@H](COC(=O)c3cn(CC4CC4)nn3)C2)cc1	842873404	HXIAPNMPPJKNKM-HNNXBMFYSA-N	356.426	2.380	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C)C[C@H]3CCCC[C@H]3O)C2)cc1	854300164	VOHHNPQMBGSFJD-JTDSTZFVSA-N	361.486	2.466	10	10	FECE	
COc1ccc(N(CC(=O)O)CC(=O)NCC[C@@]2(C)C[C@]2(F)Cl)cc1	853010554	FRQAQCHWQLVZMH-DLBZAZTESA-N	372.824	2.407	10	10	FECE	
CC(=O)NCC1CCC(NCc2ccc(N3CCOCC3)c(F)c2)CC1	865417965	FJEPJYXCSXQXCV-UHFFFAOYSA-N	363.477	2.447	10	10	FECE	
COc1ccc(N2CCC(NC(=O)c3cncc4ncn(C)c34)CC2)cc1	865116406	VILNKBCQJUHSNI-UHFFFAOYSA-N	365.437	2.376	10	10	FECE	
CCCC[C@H](NC(=O)NCC)C(=O)N[C@@H](C)c1cc(OC)ccc1O	761972195	GZHLKKGGYRAJKD-WFASDCNBSA-N	351.447	2.456	10	10	FECE	
C[C@]1(CCNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1(F)F	1118659442	GOPMITADDXQVPG-SFHVURJKSA-N	365.424	2.455	10	10	FECE	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@]23C[C@@H](N)C[C@@H]2C3)cc1	870861354	RNHQPJQOWCLMJP-FKPGQJDZSA-N	357.498	2.388	10	10	FECE	
C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC(=O)NCC(F)(F)F	774482608	GZYYBBQVBQAARZ-QWRGUYRKSA-N	360.380	2.180	10	10	FECE	
CN(C)c1ccc(CN=c2[nH]cncc2I)cc1	1963870783	AUKKKOYNAGDGPZ-UHFFFAOYSA-N	354.195	2.181	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)NCC2(CO)CCCC2)N(C)C)cc1	1313413023	LJFHBALPQJXHGS-GOSISDBHSA-N	362.518	2.207	10	10	FECE	
COc1ccc(CNCCCN(C)C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cc1C	1322704977	FWSHAVVHDQMARX-RBUKOAKNSA-N	370.497	2.479	10	10	FECE	
CCC(CC)[C@H](O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1256237147	SACZWMWQPHRWJY-RBUKOAKNSA-N	364.534	2.452	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC1C[C@H]2CC[C@H](C1)C2	1334784497	NHLLWWAJNVFQJS-IRXDYDNUSA-N	353.466	2.374	10	10	FECE	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@]1(CO)COCC2(CCC2)N1C	1348111025	QRJOETAFBJPJLA-ZOCZFRKYSA-N	360.498	2.454	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnc(-c2ccccn2)n1	1447560035	DXBXEZOECRXDPS-LBPRGKRZSA-N	350.378	2.311	10	10	FECE	
COC(=O)c1ccc2c(c1)OCCN(C(=O)c1c(F)ccc(O)c1O)C2	1458031669	HDNDDIJRSLZWEJ-UHFFFAOYSA-N	361.325	2.058	10	10	FECE	
COc1cc(C)cnc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1463280206	KBZWXAWFPANIFL-QGZVFWFLSA-N	356.470	2.497	10	10	FECE	
Cc1ccc(C(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)c(O)c1O	1646587645	VBBWTSHRUWHVGX-HAQNSBGRSA-N	350.415	2.439	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](CC(=O)N2CCC[C@H](N=[N+]=[N-])CC2)[C@@H](O)C1	2124534161	HLSZOYKJPASACG-IHRRRGAJSA-N	367.450	2.296	10	10	FECE	
Cc1ccc(O)c([C@@H](C)N=c2nc(CCNC(=O)OC(C)(C)C)[nH][nH]2)c1	2126784241	SXOWGKKHFOWTEY-GFCCVEGCSA-N	361.446	2.481	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1)C1(O)CCC1	2131455975	CRWTXAHFCYXTAE-OLZOCXBDSA-N	367.450	2.486	10	10	FECE	
CCCNCc1ccc(N(C)C2CS(=O)(=O)C2)cc1Br	2152229837	JXSMOEARUVBXAO-UHFFFAOYSA-N	361.305	2.182	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NCc2ccc(O)cc2O)CCO1	2036667409	MEHMNFIMHMHDQB-HIFRSBDPSA-N	352.431	2.260	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNCc1cc(F)cc(F)c1O	708390071	NYELSJCDAYMXDM-CQSZACIVSA-N	371.428	2.311	10	10	FECE	
CCN(CCN(C)C(=O)COc1ccc(N)cc1)C(=O)OC(C)(C)C	2044626497	IGUZACGWSXXYOE-UHFFFAOYSA-N	351.447	2.363	10	10	FECE	
C[C@@H](CCNC(=O)OC(C)(C)C)N(C)CC(=O)Nc1ccc(N)cc1	2044676321	FTEWRDKUYNCPCG-ZDUSSCGKSA-N	350.463	2.442	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2ccc(O)c(O)c2)C1	2054420201	PRVRJGPNFCEBGN-GFCCVEGCSA-N	350.415	2.475	10	10	FECE	
CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N2CCC(N=[N+]=[N-])CC2)C1	2060633275	LXJCYMQPSKKUDP-DRQUAOQDSA-N	353.423	2.360	10	10	FECE	
CN1CCc2cc([C@H](O)c3cnn(C)c3I)ccc21	2106804496	CBIDAVTYCIKXMB-ZDUSSCGKSA-N	369.206	2.099	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@](O)(CNC(=O)OC(C)(C)C)C3CC3)ccc21	2106849115	QXNVQWFZGSLJHP-XLIONFOSSA-N	361.486	2.345	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@@H](O)C3(N(C)C(=O)OC(C)(C)C)CC3)ccc21	2107750036	UOVINXMUYMALOD-IAGOWNOFSA-N	361.486	2.439	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](NCc2ccc(O)cc2O)C[C@]12CCOC2	2098979026	ZCYXMEUDBUVPDT-KUHUBIRLSA-N	364.442	2.356	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H]1C[C@]1(C(=O)C(=O)C[C@H]1C[C@H](N)C1)C2	2112561474	GXYSXEQOJCGTKH-LOWJPTLCSA-N	362.470	2.430	10	10	FECE	
O=C(O)[C@H]1CC[C@@H](O)CN1Cc1cc(Cl)cc(Br)c1O	2279185763	HSSAPCOVTAVJNH-MWLCHTKSSA-N	364.623	2.218	10	10	FECE	
Cc1cc(C[C@@H](C)NC(=O)C=Cc2ccc(N3CCOCC3)cc2)n[nH]1	2301394278	CVNNXWGNPZKHNP-OAHLLOKOSA-N	354.454	2.315	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H](CNC(=O)OC(C)(C)C)[C@@H]1CCOC1	2315986945	KZYJFNXXAUFZDN-OLZOCXBDSA-N	355.439	2.323	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H]1CO[C@]2(CNC(=O)OC(C)(C)C)C[C@H]1C2	2342996193	PXXPYVMPOZPHRK-XNJGSVPQSA-N	367.450	2.465	10	10	FECE	
CCCS(=O)(=O)N(C)NCc1ccc(C)c(Br)c1O	2352679181	IKVPSVDCEHCTIO-UHFFFAOYSA-N	351.266	2.139	10	10	FECE	
COc1ccc(O)c([C@H](C)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)c1	186327688	ZSMDWPUKXOYELA-XJKSGUPXSA-N	358.442	2.289	10	10	FECE	
CC[C@@H](O)CN1CCN(Cc2cc(Br)cc(OC)c2O)CC1	123487621	ROMMVTCHAREAIQ-CQSZACIVSA-N	373.291	2.052	10	10	FECE	
COc1cc(Br)cc(CN2CC[C@@H](N3CCOCC3)C2)c1O	120971103	OENIIUHUGZYMMQ-CQSZACIVSA-N	371.275	2.070	10	10	FECE	
CN(C)c1ccc(CNC(=O)Cn2cc(-c3ccccc3)nn2)cc1F	135431751	MKJQFQKOWLIVDP-UHFFFAOYSA-N	353.401	2.467	10	10	FECE	
Nc1ccc(CCNC(=O)CNC(=O)c2cc3c(s2)CCCC3)cc1	237935928	MTADWJFUJXQECD-UHFFFAOYSA-N	357.479	2.298	10	10	FECE	
Nc1ccc(NC(=O)/C=C\c2ccc(S(=O)(=O)NC3CC3)cc2)cc1	255293116	OZRFOLGJWLJDKZ-BASWHVEKSA-N	357.435	2.361	10	10	FECE	
COc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)c(O)c1	366535191	XWHSQGXQMIAPAW-KRWDZBQOSA-N	354.406	2.322	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)NCC1CCCCC1	283707224	ZRCSURUNBZIMFT-UHFFFAOYSA-N	373.497	2.178	10	10	FECE	
CN(C[C@H]1CCCN(Cc2cc(Cl)c(F)cc2O)C1)S(C)(=O)=O	294687411	NHCYWPOSSOAOGX-LLVKDONJSA-N	364.870	2.288	10	10	FECE	
COCCCS(=O)(=O)N(C)Cc1ccc(C)c(Br)c1O	2380724702	BRANBTPKNKTDGD-UHFFFAOYSA-N	366.277	2.261	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)NCc2cc(Br)ccc2O)CCN1C	805187851	YFNVQBWWTVXBHF-MFKMUULPSA-N	356.264	2.437	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)NCc3ccnc(C)n3)C2)cc1	822653912	GAIHPZYHVQQLQG-HNNXBMFYSA-N	355.442	2.119	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)N3CCC[C@H]3C3CC3)CC2)cc1	728748276	DROMSHRJNRHHNX-FQEVSTJZSA-N	372.513	2.401	10	10	FECE	
CN(C)c1ccc(/C=C/CNCCNS(=O)(=O)c2ccccc2)cc1	835036695	NBLGFZYTSPMVRG-VOTSOKGWSA-N	359.495	2.334	10	10	FECE	
Cc1c(-c2nnc(N(C)Cc3ccccc3O)n2CC2CC2)nnn1C	831142754	RVEROCMYJUQFAR-UHFFFAOYSA-N	353.430	2.134	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H]1CN(C2CC2)C(=O)O1	847287970	PMGRZYBHCIBEGJ-KRWDZBQOSA-N	358.442	2.069	10	10	FECE	
O=C(N[C@H]1CCCCNC1)C(=O)N(Cc1ccccc1O)C1CCCCC1	842240609	SNHDEFSEMJQDLE-KRWDZBQOSA-N	373.497	2.312	10	10	FECE	
C[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@](C)(C(F)F)O1	852781861	WJNAQXWROPQPAY-IFXJQAMLSA-N	369.456	2.456	10	10	FECE	
COc1ncc(/C=C\C(=O)N2C[C@@H](N(C)C)CCc3ccccc32)cn1	857926561	HTGKAGCKYICXRQ-NLZINVLXSA-N	352.438	2.408	10	10	FECE	
Cc1cc(CC(=O)OCC(=O)NC2CCOCC2)c(C)n1-c1ccccc1	853935327	YMHPUXUXWNBOIY-UHFFFAOYSA-N	370.449	2.475	10	10	FECE	
Cc1cc(C(=O)CN(C)C2CC(O)C2)c(C)n1-c1ccc2c(c1)OCO2	759873267	JCQDNFUHNQXPKC-UHFFFAOYSA-N	356.422	2.461	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCOC[C@H]1CC1CC1	923336353	JHPYEAZLQRKQAF-LJQANCHMSA-N	373.497	2.358	10	10	FECE	
Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1	856208117	IJJKIWWRYHIFLR-UHFFFAOYSA-N	370.409	2.189	10	10	FECE	
COC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)c1cc(C)n(-c2ccccn2)c1C	869986921	NDAOIWDIRHTKJU-MGPUTAFESA-N	371.437	2.282	10	10	FECE	
CN(C)c1ccc(CNC(=O)N[C@H](c2ccccc2)c2nc[nH]n2)cc1	767213137	QZFVGPBYXCWGRW-QGZVFWFLSA-N	350.426	2.460	10	10	FECE	
Fc1cc(CNC[C@@H]2CC3(CCOCC3)CO2)ccc1N1CCOCC1	865780137	FSEYACYGFPICJX-KRWDZBQOSA-N	364.461	2.338	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2N)cc1	868230201	VKVURHVAAFQUPL-RBUKOAKNSA-N	366.465	2.131	10	10	FECE	
CC[C@@H](C(=O)NCc1ccc2cccnc2c1O)N1CCO[C@H](CC)C1	862026704	XMPBLAJGABUZKT-SJORKVTESA-N	357.454	2.446	10	10	FECE	
C[C@H](NC(=O)[C@]1(CO)CCCN1C(=O)OC(C)(C)C)c1ccccc1O	1877573445	KXCXSZVMGZSSDE-ORAYPTAESA-N	364.442	2.331	10	10	FECE	
COC(=O)c1c(CN[C@@H](C)[C@@H](CO)SC)c2cc(F)ccc2n1C	894279815	AJVRPEKXTWROQY-ZUZCIYMTSA-N	354.447	2.306	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CNC/C=C/CNC(=O)OC(C)(C)C)c1O	789865670	DHOLOMNKYFYSIP-AATRIKPKSA-N	367.402	2.480	10	10	FECE	
C[C@@H](O)CCCOC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O	795341479	HKILLULSXBVWFT-LLVKDONJSA-N	353.374	2.362	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)[C@@](C)(O)Cn2ccccc2=O)cc1	790485156	ZFBSBDCVAFZVQQ-NRFANRHFSA-N	371.481	2.104	10	10	FECE	
Cc1cc2c(cc1S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1)OCO2	794871580	CNHHNVOZWDBEDX-UHFFFAOYSA-N	352.324	2.138	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)C3CN(C4CCCCC4)C3)cc2)CC1	1153443540	MEYFYOCAWQKVOI-UHFFFAOYSA-N	370.541	2.319	10	10	FECE	
CN1C(=O)[C@H](N)c2ccc(N3C[C@@H]4CN(Cc5ccccc5)C[C@@H]4C3)cc21	705957539	OYENEIFUXXOWMF-LLGFUMIMSA-N	362.477	2.231	10	10	FECE	
O=C(C(=O)N(Cc1ccccc1O)C1CCCCC1)N1C[C@@H]2CC[C@H](C1)O2	1329346690	YKFJAWQAQBBICY-HDICACEKSA-N	372.465	2.443	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)c2ccc3ncn(C)c3n2)N(C)C)cc1	1472281085	PRQCDLIKSRAULY-SFHVURJKSA-N	366.469	2.067	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c(C)nnc1N(C)CCn1cccn1	1707303835	BMNGHDZMEKGSPF-UHFFFAOYSA-N	353.474	2.342	10	10	FECE	
COc1cccc(CNC(=O)c2cc(C(C)(C)C)n3ncnc3n2)c1O	1622779524	QPRGYOZAAWHXFI-UHFFFAOYSA-N	355.398	2.066	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)NCC2(CN=[N+]=[N-])CC2)C1	2124540373	GTGUUJNXEBSVBX-QGZVFWFLSA-N	367.450	2.345	10	10	FECE	
CC(C)(C)OC(=O)NCCN1CCC(C(=O)NCCCN=[N+]=[N-])CC1	1964882445	DWSJFUWOHLSKFM-UHFFFAOYSA-N	354.455	2.040	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@H](C(N)=O)c2ccc(Cl)cc2)cc1	1648022899	NYZPLGZHKBBUJB-ZDUSSCGKSA-N	359.773	2.459	10	10	FECE	
Cc1ccc(C(=O)N2CCC(NC(=O)c3cc(O)c(O)c(O)c3)CC2)cc1	169859609	UGWIISKNHKEDEA-UHFFFAOYSA-N	370.405	2.146	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@H](CCNC(=O)c2cc(O)c(O)c(O)c2)C1	2132407734	RCLWSECSHWKWGE-UMSPYCQHSA-N	366.414	2.227	10	10	FECE	
CN(Cc1cnn(Cc2ccccc2)c1)C[C@H](O)COc1ccc(N)cc1	1915011894	IHXYRQCQHODWOX-FQEVSTJZSA-N	366.465	2.385	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CC2)C1	2136264822	NNOMPDUCZNEBCL-ZDUSSCGKSA-N	362.426	2.156	10	10	FECE	
COC[C@](O)(CCCNC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O	1920097990	LLURYCWZFATVRO-CRAIPNDOSA-N	354.447	2.074	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H]2CCOC[C@@H]2NC(=O)OC(C)(C)C)c1O	2139749939	AOLQDOWAVPNRCF-CABCVRRESA-N	364.442	2.247	10	10	FECE	
CC(C)(C)OC(=O)NCC12COC(C(=O)N3CCC[C@@H](N=[N+]=[N-])C3)(C1)C2	2142245215	AIMYCZFZYZZTFV-AXOLYNHLSA-N	365.434	2.362	10	10	FECE	
CN[C@@H](c1ccc(N(C)C)cc1)C1(O)CN(C(=O)OCc2ccccc2)C1	2001960678	CWKIFNKKNPUGJD-IBGZPJMESA-N	369.465	2.397	10	10	FECE	
CNCc1ccc(N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)cc1Br	400846429	AYTMMOAEJISSKF-GHMZBOCLSA-N	361.305	2.180	10	10	FECE	
CCOc1cccc(CNC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1O	702798096	RZDOBKUZAHIDLD-CABCVRRESA-N	366.458	2.108	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNCc1cc(F)cc(F)c1O	708390069	NYELSJCDAYMXDM-AWEZNQCLSA-N	371.428	2.311	10	10	FECE	
CCCN(CCS(C)(=O)=O)c1ccc(CNC)c(Br)c1	2170154014	VKWVWDKGFFGJAV-UHFFFAOYSA-N	363.321	2.430	10	10	FECE	
C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)c1ccccc1O	1648892121	MWLYJAXGOXVCRO-SMDDNHRTSA-N	352.431	2.234	10	10	FECE	
[N-]=[N+]=NCC1CCN(S(=O)(=O)N2CC(OCc3ccccc3)C2)CC1	2043674338	WXDFOWGFGFJVFI-UHFFFAOYSA-N	365.459	2.155	10	10	FECE	
CC(C)(C)OC(=O)NCCCCCNC(=O)COc1ccc(N)cc1	2044208303	IGRFKEZQQUUYTC-UHFFFAOYSA-N	351.447	2.459	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CCO2	2060614632	FJLRPRSEBXCFFH-LRDDRELGSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2073949843	KRKGLQMMDBWFKU-AVGNSLFASA-N	353.423	2.360	10	10	FECE	
CCN(CCN(C)C[C@@H](O)COc1ccc(N)cc1)C(=O)OC(C)(C)C	2106649447	PXYKVJQKFNKUPC-MRXNPFEDSA-N	367.490	2.197	10	10	FECE	
CC(C)(C)OC(=O)NC1CCN(c2cc3c(cc2N)OCC(=O)N3)CC1	2106716752	DVALKAISXYBZHN-UHFFFAOYSA-N	362.430	2.093	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C(=O)NCCCN=[N+]=[N-])O[C@H]2C1	2260809142	WPONSGJVFBUWIW-XQQFMLRXSA-N	353.423	2.218	10	10	FECE	
COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OC(C)=O	2296734955	JMGONLFHAQXGRJ-UHFFFAOYSA-N	352.346	2.082	10	10	FECE	
CN(C(=O)Cc1ccc(N)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F	2320552783	UDFUEIFYKBGDSW-LSDHHAIUSA-N	351.422	2.227	10	10	FECE	
C[C@@H](NC[C@@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(O)cc1O	2330273745	DFWZAHXGBQRYOM-DJZPMSPPSA-N	366.458	2.413	10	10	FECE	
C[C@@H](N[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)c1ccc(O)cc1O	2330888212	SOGRHOOXQKHIDU-BNGXUDDSSA-N	364.442	2.383	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)N3CCC[C@@H](N=[N+]=[N-])C3)[C@@H]2C1	2331230322	IXMUZEPKDDXUHU-RQJABVFESA-N	365.434	2.170	10	10	FECE	
Cc1cc(C(=O)COC(=O)C2=NNC(=O)CC2)c(C)n1-c1ccc(F)cc1	4245849	ZYOIICDBJALPCZ-UHFFFAOYSA-N	371.368	2.225	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn(-c2ccc(F)cc2)nn1	183478448	WEHXHZNEJZFOQG-LLVKDONJSA-N	356.357	2.179	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1cnn(CC(N)=O)c1	47690838	NLYBBCLXVWFULX-UHFFFAOYSA-N	370.457	2.023	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H](C)[C@@H]3CCCO3)CC2)cc1F	84852748	XBNZCLJUFGOCKE-CJNGLKHVSA-N	351.422	2.233	10	10	FECE	
CCOc1ccc(O)c(CN2CCC(N(CC)S(C)(=O)=O)CC2)c1	93320799	DQAQGNJUHFDCKC-UHFFFAOYSA-N	356.488	2.037	10	10	FECE	
COCCCCS(=O)(=O)NCc1cccc(Br)c1O	277551864	YZJNRJWTZQABRW-UHFFFAOYSA-N	352.250	2.001	10	10	FECE	
COC(=O)COc1cccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1	280483510	HNZOLIJVUWZNKX-LBPRGKRZSA-N	374.393	2.402	10	10	FECE	
C[C@@H](NC(=O)N(C)C[C@H]1CCCN1C)c1ccc(N2CCOCC2)cc1	817156132	GKUGYTFMBGBMMA-VQIMIIECSA-N	360.502	2.320	10	10	FECE	
CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	906859431	RNSYMKLKZTXHIV-UYHISHBKSA-N	350.434	2.074	10	10	FECE	
O=C1C[C@H](c2ccccc2)N(C(=O)/C=C\c2ccc(O)c(O)c2)CCN1	588403980	RWPYJGYUEMSFHL-DZFYGRHCSA-N	352.390	2.201	10	10	FECE	
C[C@H]1CO[C@H](c2ccccc2)CN1Cc1cc(O)n2ncc(C(=O)O)c2n1	737758432	QFKGBLFYJZANEC-LRDDRELGSA-N	368.393	2.095	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)CN3CCC[C@](O)(CO)C3)c2C)c1	839147334	HWSZIGDVKRXYSU-OAQYLSRUSA-N	356.466	2.404	10	10	FECE	
O=C1NCCC2(CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)CC2)O1	919919161	VQKXEXJGFGXAEJ-UHFFFAOYSA-N	370.453	2.237	10	10	FECE	
COc1cccc(CNC(=O)CN2CC[C@H](c3ccccc3)NC2=O)c1O	830540001	CJEZREUQUFQEFN-MRXNPFEDSA-N	369.421	2.174	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)/C=C/COC3CCOCC3)C2)cc1	868957058	WAPLPIZFLATSOW-YATRRXNKSA-N	374.481	2.390	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CC[C@@](OC)(C(=O)OC)C2)c1O	863297412	UIWXXFWSOLOWSV-FQEVSTJZSA-N	373.405	2.096	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCN(CCO)[C@H](C)C2)c1	860991083	NZMJITDEISMGQW-MRXNPFEDSA-N	369.465	2.045	10	10	FECE	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1[C@@H]2C[C@H]3[C@H](CO[C@H]31)C2	865315060	HFUHPDPXHOVPEY-HSBSEGFUSA-N	362.813	2.233	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N[C@@H]3[C@@H]4C[C@@H]5[C@@H]3OC[C@@H]5C4)CC2)cc1	868902118	BTNWJJCRJGTCPO-YJKZWKBDSA-N	371.481	2.387	10	10	FECE	
CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N1Cc2cccc(O)c2C1	871203682	DQDRKNGRLNTBAC-CYBMUJFWSA-N	350.415	2.164	10	10	FECE	
CC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1	775286350	PZSRHIDFZUGQIN-UHFFFAOYSA-N	365.367	2.084	10	10	FECE	
COc1ccc(N2CCCN(C(=O)/C=C/[C@H]3COC(C)(C)O3)CC2)cc1	1141985084	FJWDPOHZOCTJCD-BBVFFXRHSA-N	360.454	2.442	10	10	FECE	
CCOc1cccc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)n1	797789568	KOCDSWLMAXFILC-UHFFFAOYSA-N	355.438	2.380	10	10	FECE	
COc1cc(COCC(=O)NCc2ccc3cccnc3c2O)ccn1	1162613221	ZPNZAFBGYLNIRX-UHFFFAOYSA-N	353.378	2.177	10	10	FECE	
CC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1	1509103545	OLFIINJWJJTUCT-LALPHHSUSA-N	359.430	2.472	10	10	FECE	
CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1ccc(N=NC(N)=O)cc1)CC2	1444552062	IMLMOTUUKZAPCA-GJZGRUSLSA-N	360.414	2.241	10	10	FECE	
CN1C[C@@H]2[C@@H](CC[C@H]2NC(=O)NCc2cc(Br)ccc2O)C1	1519932084	UPTMLTMDPUQQGM-ZLKJLUDKSA-N	368.275	2.294	10	10	FECE	
CCO[C@H]1COCC[C@H]1CC(=O)N(C)CCN(C)c1ccc(OC)cc1	1527596000	QYDYYGMXBUMOKF-LPHOPBHVSA-N	364.486	2.422	10	10	FECE	
CN(CCC(=O)NCc1c(O)cccc1O)C(=O)OCc1ccccc1	1472064135	WJAYBAQLMICKCF-UHFFFAOYSA-N	358.394	2.373	10	10	FECE	
C[C@H](CC(=O)NCc1cc(O)ccc1O)S(=O)(=O)c1ccc(F)cc1	1637126119	LYUWSPGAMBPJDX-LLVKDONJSA-N	367.398	2.106	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@H]1CCCN1c1ncnc2sccc12	1639289821	XRMCEBIOEYHPHN-CYBMUJFWSA-N	370.434	2.388	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1nnc(C2CC2)o1	1631533866	JKJFCZKALFTAKG-UHFFFAOYSA-N	365.773	2.121	10	10	FECE	
O=C(NCc1cccc(Cl)c1O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	1647826905	OFJJAKXSPABNFM-UHFFFAOYSA-N	373.756	2.465	10	10	FECE	
CN(C)c1ccc(CNC(=O)Cn2nc3c(cc2=O)Cc2ccccc2-3)cc1	1643928927	KTYKIEFRJCBWFY-UHFFFAOYSA-N	374.444	2.197	10	10	FECE	
C[C@@H](N[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O)c1ccccc1O	1654532296	NBIDONJTASGTBQ-LSBZLQRGSA-N	356.422	2.425	10	10	FECE	
CN1C[C@](C)(Cn2c(CC3CC3)nnc2N(C)Cc2ccccc2O)C1=O	1748049624	QURTZTMQEKEUEH-HXUWFJFHSA-N	369.469	2.051	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2CCCCN2C)N(C)C)cc1	1685545028	AEBXTOLZLHZYQG-MOPGFXCFSA-N	361.534	2.139	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NCc2ccc(O)c(O)c2)CC1	1921715776	KHYWXQNRWWKLPR-LSDHHAIUSA-N	366.458	2.195	10	10	FECE	
CN[C@H](C)c1ccc(N2CCS(=O)(=O)C[C@@H]2C)cc1Br	300517291	PQOJBGXZRNDCRO-WDEREUQCSA-N	361.305	2.353	10	10	FECE	
CC(C)N(C)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2080884956	BVGPJUFLJVGAIO-ZDUSSCGKSA-N	352.431	2.400	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNCc2ccc(F)cc2O)C[C@H]1O	2084174267	DZVPWPAZMMCMQW-SGIREYDYSA-N	354.422	2.285	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@@H](F)CN1c1cc2c(cc1N)OCCO2	2106808300	RPQIVJXDSQIZJK-VXGBXAGGSA-N	367.421	2.482	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@]12COCCN(c1ccc(N)cc1)C2	2106838911	NWLTYZZLYNSUBV-LJQANCHMSA-N	363.458	2.112	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)[C@H](N2CCCc3cc(CN)ccc32)C1	2109470634	VXQISRIPYSHRML-JQHSSLGASA-N	361.486	2.315	10	10	FECE	
C[C@@H]1OC2(C(=O)NCc3ccccc3O)CC1(NC(=O)OC(C)(C)C)C2	2266019025	SXBJRHIRHNGADU-RMEHTXHKSA-N	362.426	2.223	10	10	FECE	
COc1ccc(N(CC(=O)NCCCN2CCCC2=O)[C@H](C)C2CC2)cc1	111236634	WEDPWKISVQDUQS-MRXNPFEDSA-N	373.497	2.429	10	10	FECE	
O=C1c2cccc(NCCCO)c2C(=O)c2cccc(NCCCO)c21	113691079	CFQZCRRDAULXRH-UHFFFAOYSA-N	354.406	2.051	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N[C@@H](C)c1c(O)cccc1O	305891015	JKVBAIBZKXNPMW-ZOWXZIJZSA-N	352.431	2.383	10	10	FECE	
COCc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)o1	98094082	PFVWYFTXBZUFIH-UHFFFAOYSA-N	362.401	2.456	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)C[C@@H](O)CC(C)(C)C	805725563	BGWNQXGNXJJJIF-QGZVFWFLSA-N	364.486	2.441	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@]12CCN(c1cc3c(cc1N)OCC(=O)N3)C2	2163077325	BOYYTBHJJWRCTQ-LJQANCHMSA-N	374.441	2.189	10	10	FECE	
NCC1CCN(C(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CC1	817915173	IFBZGIAIRYYXTP-UHFFFAOYSA-N	373.497	2.251	10	10	FECE	
CC(C)n1ncc2c1C[C@H](N1C(=O)CN(Cc3ccccc3O)C1=O)CC2	819167610	FUGOXNUUMICOIP-MRXNPFEDSA-N	368.437	2.491	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)c3nc(C)c(C)nc3O)C2)cc1	819585681	HDWPTXFXVTXGTN-AWEZNQCLSA-N	356.426	2.064	10	10	FECE	
Cn1ccnc1CN1CCC[C@@H](NCc2cc(Cl)c(F)cc2O)C1=O	816566869	JPAKFFRYVNCFRR-CQSZACIVSA-N	366.824	2.199	10	10	FECE	
Oc1ccccc1CN1CCC(c2nccc(N3CCOCC3)n2)CC1	828079568	VITIJDZDTZJLIT-UHFFFAOYSA-N	354.454	2.398	10	10	FECE	
CC(C)[C@@H](C)CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	740473370	LSWZIRHXLMDEKE-RDJZCZTQSA-N	360.502	2.480	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1	849546593	CBBGQQLGDKHCTJ-UXHICEINSA-N	369.513	2.146	10	10	FECE	
CN1CC[C@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	742804722	AZUWBTKYEYFCAW-KBPBESRZSA-N	353.413	2.325	10	10	FECE	
CC[C@H]1C[C@H](CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCO1	850356209	QDYREEHCEYJJJX-MJGOQNOKSA-N	366.527	2.216	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCCCNc3ccccn3)C2)cc1	852121159	JTJMCEIOTGENBV-INIZCTEOSA-N	369.469	2.470	10	10	FECE	
C[C@@H](NCCc1nnnn1C)c1cc(Br)cc(Cl)c1O	756676945	NNYGHCGEMSGHLG-SSDOTTSWSA-N	360.643	2.225	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CCN([C@@H]3CCOC3)CC2)c1O	853552502	HBFPZURCWJBNAI-MRXNPFEDSA-N	370.449	2.239	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccnn1[C@@H](C)C1CC1	760222927	GLCAUQMGKSAKFV-AWEZNQCLSA-N	369.469	2.483	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)N[C@@H]1CCCOC1	768733845	ZHSYPMISPNBBPB-LJQANCHMSA-N	372.513	2.197	10	10	FECE	
O=C(CSCC(=O)N1CCCCC1)NCc1ccc2cccnc2c1O	862028857	MHSSAWIQKGTVTI-UHFFFAOYSA-N	373.478	2.302	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)NCC[C@@H](C)O)cc2F)C[C@H](C)O1	769033759	MOOOQAQRAAVCDO-RDBSUJKOSA-N	353.438	2.009	10	10	FECE	
CCN(CC)c1ccc(CN2CCC[C@H](CS(=O)(=O)NC)C2)cc1F	862550967	IGYCRVFCLKTLQR-INIZCTEOSA-N	371.522	2.433	10	10	FECE	
Cc1ccccc1[C@H]1C[C@H](NC(=O)C(=O)NCCc2ccc(N)cc2)C1	1118036027	XJTBTTONPJHTIX-SAABIXHNSA-N	351.450	2.298	10	10	FECE	
Cc1cc(CC(=O)N[C@@H]2CC[C@H](O)[C@H](O)CC2)c(C)n1-c1ccccc1	1124035110	FTBZAOMHEAMYFZ-FNLKRUPLSA-N	356.466	2.417	10	10	FECE	
Cn1cc(N2CCC[C@H](NC(=O)c3cc4cc(O)c(O)cc4s3)C2)cn1	896672032	XFXNNHJJLIZOFH-LBPRGKRZSA-N	372.450	2.445	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCN(c2cccnn2)CC1	1136528052	UNBHIWBWXQTDQC-UHFFFAOYSA-N	356.407	2.065	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H](O)c3ccccc3OC)CC2)cc1F	1150240743	RFMHPNIZWWDJHW-LJQANCHMSA-N	374.412	2.225	10	10	FECE	
COc1ccc(N2CCN(C(=O)COC(=O)C3(CF)CCC3)CC2)cc1	1326324689	AJODJWVUYJGNKM-UHFFFAOYSA-N	364.417	2.027	10	10	FECE	
C[C@H](NC(=O)C(=O)NC[C@@H](C)c1ccccn1)c1ccc(N(C)C)cc1	1328418292	BAVNAPHTYSKLJE-CABCVRRESA-N	354.454	2.245	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)NC[C@]34CCCC[C@H]3C4)C2)cc1	1351571515	SOIRIQRONZANAY-CKJXQJPGSA-N	371.481	2.087	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@H]2CCOC2)n1CCC(C)(C)O	1503487597	MCAOULUSFXUYAR-HNNXBMFYSA-N	360.458	2.285	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNCc2ccc(F)c(F)c2O)C[C@H]1O	2116208945	OUWQWRAZNMMBAM-LERXQTSPSA-N	372.412	2.424	10	10	FECE	
CN(C)[C@H]1CCC[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1	1454001089	AVBDAMPOFDUDPW-MJGOQNOKSA-N	359.514	2.384	10	10	FECE	
CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)c1ccc(N=NC(N)=O)cc1	1465669209	WEJIMIRIDBQKLU-OAHLLOKOSA-N	369.381	2.148	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)cc1	1468338984	QQDUPKVCXYSBEU-GFCCVEGCSA-N	372.406	2.150	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NCCc1cnc2c(Cl)cnn2c1	1556821490	CRDJSFOBMHRNID-RQOWECAXSA-N	358.785	2.166	10	10	FECE	
CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1	1568720729	CKPQPDQYYHKGKG-CQSZACIVSA-N	350.415	2.110	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CC(=O)N(CC2CC2)C1	1683426670	ZOKYDBARCIHZSE-MAUKXSAKSA-N	372.513	2.302	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)N2CCN(C3CCC3)CC2)N(C)C)cc1	1687807457	SIJGERLMXHZYHL-HXUWFJFHSA-N	373.545	2.235	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(Cc2cc(F)ccc2O)C1	1972303410	OQPPQSNMOZVOBR-KBPBESRZSA-N	368.405	2.474	10	10	FECE	
CS(=O)(=O)C[C@H]1CCCN1c1cc(Br)c(CN)cc1F	2151273319	OVCNDGJODOEPCH-SNVBAGLBSA-N	365.268	2.060	10	10	FECE	
C[C@@H](C[S@](C)(=O)=NC(=O)Cc1ccc(N)cc1)NC(=O)OC(C)(C)C	2044650480	NDGVEXASZRVMMD-VDBVYFBLSA-N	369.487	2.349	10	10	FECE	
CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1[C@@H](O)[C@@H](N)c1ccccc1O	2076985432	XHEQFUMSDOUKRF-FPMFFAJLSA-N	358.385	2.398	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])C1	2218736449	YWQXAFDMBMYCSL-VOAKCMCISA-N	353.423	2.406	10	10	FECE	
CC(C)(C)OC(=O)NCCc1nc(=NCc2ccc(O)c(O)c2)s[nH]1	2222333792	SUGGYEAUUCPKOR-UHFFFAOYSA-N	366.443	2.051	10	10	FECE	
C[C@H]1CC[C@@H](S(C)(=O)=O)CN1c1ccc(CO)cc1Br	2279400171	FSWONCLIBJUNOV-CMPLNLGQSA-N	362.289	2.343	10	10	FECE	
CSc1ncc(CNS(=O)(=O)c2cc(CO)sc2C)s1	2284498912	NTSLTZSMPXITQY-UHFFFAOYSA-N	350.512	2.206	10	10	FECE	
O=C(O)C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(F)cc2F)SC1=S	2323831290	QXWVENMYTCFSSH-SECBINFHSA-N	373.358	2.094	10	10	FECE	
Cc1cccc(CNC[C@H]2C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c1O	2309546244	WTFZOQAANHJBKT-FVQBIDKESA-N	350.459	2.454	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2C(=O)NCCc1ccc(O)c(O)c1	2333038584	FRJNHCZPSSWODN-XEZPLFJOSA-N	362.426	2.012	10	10	FECE	
CCOC(=O)N1CCN(/C=C2/SC(=S)N(CC(C)C)C2=O)CC1	59729474	RGCZUHXPEBVAFP-ZRDIBKRKSA-N	357.501	2.118	10	10	FECE	
CN1CCN(C2=NC(=O)/C(=C\c3cn[nH]c3-c3ccccc3)S2)CC1	33330822	HRKSMLLVHANNDW-RVDMUPIBSA-N	353.451	2.294	10	10	FECE	
CC1CCN(C[C@H](O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)CC1	121052127	DKAQVPSGXGGYMQ-PMACEKPBSA-N	362.514	2.466	10	10	FECE	
O=S(=O)(Cc1ccccc1)N1CCc2cc(N3CCOCC3)ccc21	41122189	KXSKJSZJAVMOPO-UHFFFAOYSA-N	358.463	2.416	10	10	FECE	
C[C@](O)(CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1)c1ccco1	255659132	ULCXFFQKFUWQIZ-NSDNCLLMSA-N	356.422	2.153	10	10	FECE	
CCn1ncc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)n1	292861065	APYJMUHNBOOHKH-KRWDZBQOSA-N	357.458	2.185	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1	808504715	KQKWSXQEFOQCEW-LLVKDONJSA-N	358.316	2.018	10	10	FECE	
Cc1c(NC(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)nnn1C	565703226	FOYSUKMVUGJQJK-UHFFFAOYSA-N	366.469	2.483	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cnn(C)n1	807570201	YHJSDTPGQSAEBB-UHFFFAOYSA-N	368.235	2.015	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1CCCc2n[nH]cc21	819696849	FYGPNJJKRWJGDG-AWEZNQCLSA-N	357.410	2.127	10	10	FECE	
COC(=O)CCCCNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	822826407	GUEJTMJIMLCFPG-HNNXBMFYSA-N	363.458	2.164	10	10	FECE	
O=S(=O)(CC1Cc2ccccc2C1)NNc1nc2cccnc2s1	901677305	IEBSPYDWVXSYCV-UHFFFAOYSA-N	360.464	2.353	10	10	FECE	
COc1ccc(O)c(CNC(=O)N[C@H]2CCCN(c3ccccc3)C2=O)c1	734067930	WGISWJNAJUXHJZ-KRWDZBQOSA-N	369.421	2.396	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@]12[C@H]3C(=O)[C@H]4[C@H]5C[C@@H]([C@@H]41)[C@H]2[C@H]53	840555753	SGMGLBKRECCPMH-ZRIUPXJASA-N	364.489	2.435	10	10	FECE	
CNC(=O)Cc1nc(CN2CCCN(c3ccc(OC)cc3)CC2)cs1	749148812	RCEZVYMSTJISNO-UHFFFAOYSA-N	374.510	2.153	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)c3cn(C(C)C)cn3)C2)cc1	849416859	YBEQJAMMLCDSOW-CQSZACIVSA-N	364.471	2.030	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3ccccc3CO)C2)cc1	853590528	WCQKOQANODCJPB-KRWDZBQOSA-N	355.438	2.266	10	10	FECE	
Cc1cc(CN2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)ccc1N(C)C	856558066	ZIAMBXTVQGYKIC-RBUKOAKNSA-N	352.482	2.411	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3c4ccccc4C[C@@H]3O)C2)cc1	854297320	POVPUSKZFDLUHV-YSSFQJQWSA-N	367.449	2.231	10	10	FECE	
COc1ccc([C@@H]2CCNC[C@@H]2NC(=O)NCc2ccccc2O)cc1F	851674452	DQFHUZZVUBWJJN-RDJZCZTQSA-N	373.428	2.485	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](CO)[C@H]2CCC[C@H](OC)C2)c1	850502895	SQDVTGYHOSYVJL-GZIXRCOHSA-N	351.443	2.396	10	10	FECE	
COC[C@]1(C(=O)OC)CCCCN1Cc1ccc(N2CCOCC2)cc1	931114171	ONYUZVSVFFUQMX-FQEVSTJZSA-N	362.470	2.067	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@@H]4[C@H](O)C(C)(C)[C@@H]43)C2)cc1	868762485	OXYYVSNAWWZLFA-FDPIWHGQSA-N	373.497	2.465	10	10	FECE	
C[C@H]1C[C@@H](c2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)CCO1	762286893	FBFWWGABNUUDFC-UWVGGRQHSA-N	353.400	2.096	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N[C@@H]3[C@H]4C[C@@H]5CO[C@H]3[C@H]5C4)CC2)cc1	868902115	BTNWJJCRJGTCPO-LFHWYUKOSA-N	371.481	2.387	10	10	FECE	
CNS(=O)(=O)CCCOC(=O)c1sccc1-n1c(C)ccc1C	777068294	PVYIMEOSBVRTNS-UHFFFAOYSA-N	356.469	2.252	10	10	FECE	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC1COC1	870865845	GJRCDMQQJHCAJL-GHXNOFRVSA-N	368.505	2.245	10	10	FECE	
COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1cc(Cl)cc(C)c1O	775739134	LUKDRWNCBJRVSK-KBUPBQIOSA-N	367.829	2.279	10	10	FECE	
COC(=O)[C@@H](C[C@@H]1CCCO1)NCc1ccc(Br)cc1O	895867387	WTOAVIHDLYXXRX-QWHCGFSZSA-N	358.232	2.355	10	10	FECE	
Cc1cc(C(=O)CN2C[C@@H]3[C@@H](CO)[C@@H]3C2)c(C)n1-c1ccc2c(c1)OCO2	794862326	DHGWAHAUJKNMOS-PIIMJCKOSA-N	368.433	2.176	10	10	FECE	
COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)c(OC)c2)ccc1C	797819319	FSNUPGHDJBUZBW-UHFFFAOYSA-N	351.380	2.297	10	10	FECE	
CC(=O)N[C@H](CC(=O)NCc1c(O)cccc1O)c1c(F)cccc1F	1178912166	QVCZWJZWPKYSFZ-CQSZACIVSA-N	364.348	2.260	10	10	FECE	
O=C(CCCN1CCN(c2ccccc2)CC1)NCc1cccc(O)c1O	1349077996	HCKLRDPXWRMQBL-UHFFFAOYSA-N	369.465	2.316	10	10	FECE	
CCOC(=O)N1CSC[C@@H]1C(=O)NCc1ccc2c(c1)CCCN2C	1292214718	XGWOMJDWUWNEFF-MRXNPFEDSA-N	363.483	2.217	10	10	FECE	
C[C@H](NC[C@@H]1C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)c1c(O)cccc1O	2116205118	IEVWGLCOQAULBG-QCQGSNGOSA-N	366.458	2.413	10	10	FECE	
Nc1ccc(CCC(=O)Nc2nccnc2I)cc1	2121640892	BQOGOVIVKGCFKY-UHFFFAOYSA-N	368.178	2.235	10	10	FECE	
COc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(N)c1F	1625607142	ASOCQLFMAXHGKY-UHFFFAOYSA-N	359.401	2.183	10	10	FECE	
COC(=O)C[C@](C)(NC(=O)Cc1ccc(O)c(O)c1)c1cccc(OC)c1	1628947933	ITBZFRIHNLGDNU-FQEVSTJZSA-N	373.405	2.244	10	10	FECE	
Cc1ccc(CN2CCO[C@@H](CNC(=O)c3ccc(C)c(O)c3O)C2)cc1	1557977444	DOMBNHHZKYJXNE-KRWDZBQOSA-N	370.449	2.345	10	10	FECE	
C[C@H](CONC(=O)/C=C/c1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	1631954164	PCPHYJOLRVGTOL-LXSSAFMLSA-N	352.387	2.072	10	10	FECE	
Cn1cc(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)c(=NC(=O)OC(C)(C)C)[nH]1	2124512284	KURNUKYPIZXRPZ-LLVKDONJSA-N	363.422	2.352	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@]1(NC(=O)OC(C)(C)C)[C@@H]2CCO[C@@H]2C1(C)C	2124514754	ZEHCDHVBZNGMEO-BWACUDIHSA-N	367.450	2.464	10	10	FECE	
CS(=O)(=O)c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1F	1640736212	JUZJEMBDROBFIR-XVNBXDOJSA-N	351.355	2.292	10	10	FECE	
CN1CCC(CNC(=O)Cc2ccc(O)c(O)c2)(c2ccccc2)CC1	1648026863	WRLUMNKMNFQGRM-UHFFFAOYSA-N	354.450	2.420	10	10	FECE	
COc1cc(Cl)cc(CNC[C@H](O)CNC(=O)OC(C)(C)C)c1O	2011424381	IBEMJFZXTFQWLT-LBPRGKRZSA-N	360.838	2.029	10	10	FECE	
O=S(=O)(Nc1ccc(O)cc1)c1ccc(Br)c(CO)c1	2157797761	SESFIKNUQVYKRG-UHFFFAOYSA-N	358.213	2.448	10	10	FECE	
CCn1cc(Br)c(NS(=O)(=O)Cc2ccc(N)cc2)n1	2181150754	LTJLPLRGMCQARK-UHFFFAOYSA-N	359.249	2.190	10	10	FECE	
CCOC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccccc1O	2072480982	BUKNGDNQSXPLKS-OCCSQVGLSA-N	352.431	2.499	10	10	FECE	
Nc1ccc(CCC(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)cc1	2106226997	JVKWLSNSLDYNEI-UHFFFAOYSA-N	357.376	2.119	10	10	FECE	
Nc1ccc(O)c(CNS(=O)(=O)c2cscc2Br)c1	2087609255	PTJPWFKKOFTNBR-UHFFFAOYSA-N	363.258	2.277	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-]	2218737379	HBOKLNZZXAAWQR-HSMVNMDESA-N	353.423	2.096	10	10	FECE	
C[C@H](C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-])N1CCN(C(=O)OC(C)(C)C)CC1	2225792389	MSWGXWSTVOISGA-RDBSUJKOSA-N	366.466	2.275	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)N1CC[C@@H](N=[N+]=[N-])C1)C[C@@H]1CCCO1	2259729970	PJWPSDZDWKXOPC-OLZOCXBDSA-N	353.423	2.314	10	10	FECE	
O=C(O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccsc2)SC1=S	2323813487	RLCGXWHYDDRQQE-QMMMGPOBSA-N	357.434	2.267	10	10	FECE	
O=C(NCCCCN1CCOCC1)NCc1c(O)ccc2c1CCCC2	175523398	FEPTUNHWFGHNQH-UHFFFAOYSA-N	361.486	2.183	10	10	FECE	
CCOc1ccc(O)c(CN[C@H]2CCCN(c3cc(C)nn3C)C2=O)c1	173849790	RVCIYXBRXYRPHE-INIZCTEOSA-N	358.442	2.118	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCc3nccn3C(F)F)CC2)cc1	170692465	LWYYYWGHGVPHCG-UHFFFAOYSA-N	365.384	2.319	10	10	FECE	
CCN(CC)[C@@H](C)CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	79254032	GUIFNVVDPXCZLA-KRWDZBQOSA-N	362.518	2.395	10	10	FECE	
Cn1cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)ccc1=O	194811395	UYUYLTISORVJJS-UHFFFAOYSA-N	358.467	2.260	10	10	FECE	
O=C1N[C@@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CS1	266939349	UWAHNVALRZCADB-GXFFZTMASA-N	371.409	2.198	10	10	FECE	
CCOCCOCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	360187878	NMEQSKDHSOWHLB-UHFFFAOYSA-N	372.412	2.426	10	10	FECE	
O=C(O)[C@@H]1[C@@H](CNCc2cc(Br)cc(F)c2O)C1(F)F	715231975	WUUQUYFPOCBRJA-APPZFPTMSA-N	354.122	2.349	10	10	FECE	
C[C@@H](NC(=O)C(=O)N1CC[C@H](c2ccccn2)C1)c1ccc(N(C)C)cc1	807674608	NSIFZPCQKMDDBR-WBVHZDCISA-N	366.465	2.341	10	10	FECE	
CC1=CC(NC(=O)C(C)(C)C)=S=C1C(=O)Nc1cccc2nonc12	808797933	CXGGSCQFLANLOU-UHFFFAOYSA-N	358.423	2.319	10	10	FECE	
OC1CCN(c2ccc(CNC[C@H](O)c3ccc(F)cn3)cc2F)CC1	819121483	LOGPNENLEGZRHG-IBGZPJMESA-N	363.408	2.144	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCC[C@]2(CCOC2)C1	823523316	CYUMXALNACOCME-NRFANRHFSA-N	373.497	2.360	10	10	FECE	
CCC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	839918766	NKRSMASDMLLJKC-YOEHRIQHSA-N	363.527	2.420	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC[C@@H]([C@H]2CCOC2)C1	749557198	FFUGINBLEJNYNO-MOPGFXCFSA-N	359.514	2.460	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3)CC2)cc1F	844190226	AMYAGDXQNPQPKH-QGTPRVQTSA-N	361.461	2.404	10	10	FECE	
Cn1cc(C[C@H]2CCC[C@@H]2N2C(=O)CN(Cc3ccccc3O)C2=O)cn1	849363751	OSESCMLETCUPTP-WBVHZDCISA-N	368.437	2.301	10	10	FECE	
COC(=O)CN(CC(=O)NCc1ccc(N(C)C)cc1)C1CCCCC1	852413867	DAXUPHPZBPEWCP-UHFFFAOYSA-N	361.486	2.177	10	10	FECE	
Cc1cc(CC(=O)OCC(=O)NC(=O)NC2CC2)c(C)n1-c1ccccc1	853933475	DOFJVDRBEAQHQG-UHFFFAOYSA-N	369.421	2.168	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cnn(-c4cccnc4)c3)C2)cc1	855233769	MKVHHNMJHYUROB-MRXNPFEDSA-N	363.421	2.285	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@H](CCO)CC3)C2)cc1	854296607	FCQBBEHITLJTPG-DLBZAZTESA-N	361.486	2.468	10	10	FECE	
CNC(=O)C1(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CCOCC1	925226150	MURXCKJHGAKZGL-UHFFFAOYSA-N	373.428	2.258	10	10	FECE	
C[C@H](NCC(C)(C)CS(N)(=O)=O)c1cccc(C(F)(F)F)c1O	866572480	ORHHIXSNEWWXEA-VIFPVBQESA-N	354.394	2.376	10	10	FECE	
CC[C@@H]1[C@@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCN1C	865953583	SDEUUYHRMPFZJP-VQTJNVASSA-N	359.514	2.242	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@@H]2CCN(C)C2=O)C1	769664213	ATHMKAGKXAXVQI-LJQANCHMSA-N	369.465	2.182	10	10	FECE	
CO[C@]12CCC[C@@]1(C(=O)N(C)Cc1ccc(N3CCOCC3)cc1)CCO2	873862974	XWSGXLBLJGUGIH-SFTDATJTSA-N	374.481	2.415	10	10	FECE	
CC(C)[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)N1CCOCC1	895577533	MQJZELWDEYVYMV-CYBMUJFWSA-N	364.467	2.399	10	10	FECE	
C[C@@H](CCNC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	1962938022	CGDCBDGALPVIJF-LBPRGKRZSA-N	352.431	2.307	10	10	FECE	
COc1ccc(CNC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1C	702849173	SUXXTWVURMCDJS-CVEARBPZSA-N	350.459	2.321	10	10	FECE	
CN(C)c1ccc(CNC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)cc1F	1328556820	NPAKQEIKMGMFOB-INIZCTEOSA-N	370.428	2.279	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](C(=O)NCc1ccccc1O)[C@H]1CCOC1	1964890082	PTDGDNNIFGVUFL-GJZGRUSLSA-N	364.442	2.186	10	10	FECE	
COc1ccccc1[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1nccn1C	1290519577	IPPKMHZOVHOZRL-LJQANCHMSA-N	367.405	2.288	10	10	FECE	
C[C@@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2ccc(O)c(O)c2)C1	2118184909	PYRNPBXCRQUBPA-MWLCHTKSSA-N	360.332	2.017	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H](NC(=O)c1ccc(O)c(O)c1)C2	2118188020	OKNUALNPZNIYHI-FPMFFAJLSA-N	362.426	2.473	10	10	FECE	
CC(C)(CCS(C)(=O)=O)NC(=O)c1cc2cc(O)c(O)cc2s1	1465536469	VZNGMFUJLRJXDZ-UHFFFAOYSA-N	357.453	2.256	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCc2nc[nH]c2[C@@H]1c1cccnc1	1627528509	VNSIXBIOMOLUBM-XXIDSNJLSA-N	362.389	2.403	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@H](O)c1cccc(Br)c1	1558175384	OQWBKHSVOILDFA-CQSZACIVSA-N	352.184	2.210	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1	1637125925	HIQRADPSBMBSGA-CYBMUJFWSA-N	361.442	2.078	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCCNC(=O)c2ccccc2F)cc1	1635894826	GSUHDQNVGKQEOY-UHFFFAOYSA-N	357.345	2.148	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CSCCC(C)C	1638029913	AOLVACRJGOQAQT-AWEZNQCLSA-N	369.483	2.468	10	10	FECE	
O=C(NCc1c(O)cccc1O)C(=O)Nc1cccc(C(F)(F)F)c1	1635850814	QGNUPGCQRHIEDH-UHFFFAOYSA-N	354.284	2.372	10	10	FECE	
COC(=O)/C=C/c1ccc(N(C)C[C@@H](O)c2cccnc2)c([N+](=O)[O-])c1	1655832643	NRCWBKFZHGZRMX-DBWMJRBXSA-N	357.366	2.346	10	10	FECE	
COC(=O)[C@H](CC(=O)N1CCC[C@H](N=[N+]=[N-])CC1)NC(=O)OC(C)(C)C	2124531693	FRNAAFCWWYVCPA-RYUDHWBXSA-N	369.422	2.134	10	10	FECE	
CS(=O)(=O)c1ccccc1CC(=O)NCc1cc(Cl)ccc1O	1583820914	PRDNYRGRPJCCID-UHFFFAOYSA-N	353.827	2.308	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CC[C@H](OC(=O)N(C)C)C2)c([N+](=O)[O-])c1	1772984088	BOHDLCXPDLDCGU-VGVVRCBHSA-N	363.370	2.058	10	10	FECE	
Cc1cc(CCNC(=O)N[C@]2(C)CCNC2=O)c(C)n1-c1ccccc1	1684444367	MGUGOXRSJRHBCA-HXUWFJFHSA-N	354.454	2.214	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)N3CC[C@H]4[C@@H](C3)C4(F)F)cc2)CC1	1684874504	RUDFHLBVYAYSPW-DLBZAZTESA-N	364.440	2.235	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)cc1	1116975644	AXTAPRJJQZEEHU-QZTJIDSGSA-N	355.413	2.180	10	10	FECE	
CS(=O)(=O)C[C@H]1C[C@@H](NCc2cc(Br)cc(F)c2O)C1	1974490245	IIUGYMIXHDSNIL-DKTWLAJQSA-N	366.252	2.207	10	10	FECE	
O=C(N[C@@H]1CC[C@@H]1NCc1ccc(O)c(O)c1O)OCc1ccccc1	1977132339	UGSYWONYBFUATB-LSDHHAIUSA-N	358.394	2.350	10	10	FECE	
O=C(O)C[C@@H](C(=O)O)N1C(=O)C(=CC=Cc2ccccc2)SC1=S	2040829623	HHZNREZBHSAEEX-NSHDSACASA-N	363.416	2.372	10	10	FECE	
N[C@@H](c1cc(Br)cc(Br)c1O)P(=O)(O)O	308805501	AVLHXYQVAKTSDY-SSDOTTSWSA-N	360.926	2.052	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC(CN=[N+]=[N-])CC1)C1COC1	2060635172	IYQUYNGXERJYGH-CYBMUJFWSA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2060621028	IZLVLYNXMTZQAG-UPJWGTAASA-N	353.423	2.218	10	10	FECE	
CN(Cc1ccccc1)[C@H]1CCN(c2cc3c(cc2N)OCC(=O)N3)C1	2095875403	JMULMLXGJUPPFG-HNNXBMFYSA-N	352.438	2.310	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)NCc1ccccc1O)[C@@H]1CCOC1	2259863122	PJPFXNUKURINJO-CQSZACIVSA-N	350.415	2.034	10	10	FECE	
Cc1ccc(C(=O)O)cc1NC=C1C(=O)NC(=O)N(c2ccccc2)C1=O	2297531923	HKBDQKWPVYIXSB-UHFFFAOYSA-N	365.345	2.272	10	10	FECE	
COC(=O)CCN1C(=O)C(=Cc2ccc(OC)cc2OC)SC1=S	2314768903	MJTSJSIXJPNQSH-UHFFFAOYSA-N	367.448	2.468	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@]2(NC(=O)COc3ccc(N)cc3)CC[C@H]1C2	2343622109	XNGSFASFAIHOLY-IFXJQAMLSA-N	361.442	2.306	10	10	FECE	
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(\C)NCC(C)C	103522957	MWGYMCXDPLNUJO-QGOAFFKASA-N	359.426	2.481	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)CNC(=O)c3ccccn3)cc2)CC1	172544618	IXAADJOFOITRKA-UHFFFAOYSA-N	366.465	2.364	10	10	FECE	
CN(c1ccc(CN)c(Br)c1)[C@@H]1CC[C@@H](S(C)(=O)=O)C1	2361593111	LZGAXYADZXSPBC-DGCLKSJQSA-N	361.305	2.310	10	10	FECE	
Cc1ccc(-n2c(C)cc(/C=C\C(=O)N3CCO[C@H](C(N)=O)C3)c2C)cc1	211330852	GGDQTDLSIVWAPH-QBUQCISBSA-N	367.449	2.128	10	10	FECE	
COc1ccccc1/C=C1/SC(=S)N(N2C(=O)CCCC2=O)C1=O	83319181	UCWPRGDVJWQHLF-FMIVXFBMSA-N	362.432	2.351	10	10	FECE	
O=C(N[C@H]1CCc2nc[nH]c2C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	367861141	YBIHYYIUFMWPTB-HOTGVXAUSA-N	370.453	2.363	10	10	FECE	
C[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1ccc(N2CCOCC2)c(F)c1	378406288	UTPSJWRAWRZQON-BFIPOCKSSA-N	361.461	2.322	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)NCc3cnc(C)nc3N)ccc21	552182659	QKTLOXHBNIZHSG-UHFFFAOYSA-N	367.453	2.515	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNC(=O)c1ccn(-c2ccc(N)cc2)n1	2163220752	YVSYRUUCPGLXQG-WBMJQRKESA-N	371.441	2.098	10	10	FECE	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCO[C@H](C)CC2)c1	905740804	UTDWUAFTOQVRIL-OAHLLOKOSA-N	362.470	2.038	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H](OC(F)F)C1	839275377	OTOOHGGGOAKZAH-CQSZACIVSA-N	370.396	2.361	10	10	FECE	
Cc1cc(CC(=O)N(C)C[C@H](C)c2nn[nH]n2)c(C)n1-c1ccccc1	832126085	JJXHQIAVYGQSLZ-ZDUSSCGKSA-N	352.442	2.412	10	10	FECE	
CCn1nccc1S(=O)(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	841568649	DTRTYGWWTSKTEY-AWEZNQCLSA-N	350.488	2.187	10	10	FECE	
COc1cc(N(C)CC(=O)N2C[C@H](C)OC(C)(C)C2)cc(OC)c1OC	929706406	BBOXBILYMDWRNQ-ZDUSSCGKSA-N	366.458	2.175	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NCc2nnc(O)n2C2CC2)cc1	923863985	LCMOYWJKJRZEQH-UHFFFAOYSA-N	358.446	2.164	10	10	FECE	
COC(=O)[C@@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@H]2CCC[C@H]21	859951138	JTIGSXOMOWYMCD-OTWHNJEPSA-N	373.497	2.032	10	10	FECE	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@H](O)C1CCOCC1	854515261	RAXIFWHRIRQFGG-QGZVFWFLSA-N	352.394	2.122	10	10	FECE	
CCOC(=O)C12CC(CN1c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-])C2	853963695	FLBSMHAXZHZKMV-ALCCZGGFSA-N	360.366	2.313	10	10	FECE	
C[C@@H]1NCC[C@H]1NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	861595804	HHACISRLTZBBTI-WOSRLPQWSA-N	368.428	2.306	10	10	FECE	
C[C@@H](NC[C@@]12COCCN1C(=O)OC2)c1cc(Br)ccc1O	866519449	BGMXVKPVERHKNR-BMIGLBTASA-N	371.231	2.027	10	10	FECE	
C[C@H](NS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2)c1ccccc1O	867836483	UUGLHWDFVKVVPZ-LBPRGKRZSA-N	372.446	2.267	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@H]2CC(=O)N(C)C2)C1	774160975	JPUPOYNZSOACHB-HNNXBMFYSA-N	369.465	2.182	10	10	FECE	
C[C@H](NC(=O)[C@H]1COCC[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O	1877573154	HRMKLQNSSPWFDC-QEJZJMRPSA-N	364.442	2.499	10	10	FECE	
COC(=O)N[C@H]1CCN(Cc2c(C(=O)OC)n(C)c3ccc(F)cc23)C1	895843643	NGLNKDGCSQUZDT-LBPRGKRZSA-N	363.389	2.034	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCN(C(=O)N(C)C)CC2)c1	781896427	KSVIVSIYRNMKDA-UHFFFAOYSA-N	356.264	2.262	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCN[C@H](Cc2ccc(F)cc2)C1	1301668124	PBQBCIDPSQVMBL-IOMDMTNGSA-N	356.397	2.293	10	10	FECE	
O=C(NCc1c(O)cccc1F)N[C@H]1CC(=O)N(c2ccccc2F)C1	1229112010	WBEZDTGRIMDWLD-NSHDSACASA-N	361.348	2.275	10	10	FECE	
CN1Cc2ccccc2[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1=O	1167231928	MCPKRWLZRQSHAR-OAHLLOKOSA-N	351.366	2.292	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H]2CC[C@H]1OC2)c1ccc(N(C)C)cc1	1335883429	GQJCRPMFRYTPAO-LBTBCDHLSA-N	359.470	2.004	10	10	FECE	
COc1ccc(N2CCC(NC(=O)c3cnn4c3NC[C@@H](C)C4)CC2)cc1	1351121240	GDMIHZSWDVJLRG-CQSZACIVSA-N	369.469	2.352	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2ncn(C)c2n1	1440671597	DSTGXPYNXVMOPU-UHFFFAOYSA-N	365.437	2.077	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@H]1CCCN(C(=O)NC2CCCC2)C1	1456235929	PMRKWZFWVPNCPS-ZDUSSCGKSA-N	361.442	2.078	10	10	FECE	
O=C(NCc1cccc(O)c1O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1	1528771632	RXEXIUWFJQJTPP-KRWDZBQOSA-N	368.433	2.195	10	10	FECE	
NC(=O)[C@H]1CC[C@@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C1	1470484176	AHAMYAKGJSKYOE-DZGCQCFKSA-N	357.410	2.351	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)C1(C(=O)Nc2c(F)cccc2F)CC1	1631433407	AKDWQMGVPVIYHL-UHFFFAOYSA-N	362.332	2.411	10	10	FECE	
C[C@H](NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccc[nH]1	1564496472	UUKZCTCYIUVCAT-AWEZNQCLSA-N	369.469	2.277	10	10	FECE	
CCOC(=O)c1nc(=NCc2cccc(Br)c2O)cc[nH]1	1639875012	XUEGGJGLNNAAQB-UHFFFAOYSA-N	352.188	2.155	10	10	FECE	
COc1ccc(N2CCN(C(=O)C3(N(C)C)CCCC3)CC2)c(OC)c1	1586629901	DDKRHXDPYFUTIR-UHFFFAOYSA-N	361.486	2.227	10	10	FECE	
C[C@H]1C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)CN(C(=O)OC(C)(C)C)C1	2132409618	HAZBNZDIDLNTBE-JQWIXIFHSA-N	366.414	2.179	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2cc(O)c(O)c(O)c2)C1	2132404078	OZLBMVJADOMICB-CMPLNLGQSA-N	366.414	2.179	10	10	FECE	
CN(C)[C@H]1COC[C@@H]1CNCc1cc(Cl)cc(Br)c1O	1924650856	ZCCTZEIQZDGUFZ-GWCFXTLKSA-N	363.683	2.474	10	10	FECE	
Cc1cccc(CNC(=O)[C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)O2)c1O	2139740828	DEHPFECDWBJMGL-LSDHHAIUSA-N	364.442	2.389	10	10	FECE	
CO[C@H]1C[C@H](C(=O)NCc2cccc(C)c2O)N(C(=O)OC(C)(C)C)C1	2139741702	ODOZYYBEGOBLSH-LSDHHAIUSA-N	364.442	2.341	10	10	FECE	
O=C(Nc1ncccc1I)c1cc(O)c(O)c(O)c1	2137728408	BEDANCVMSAKMKM-UHFFFAOYSA-N	372.118	2.055	10	10	FECE	
C[C@@H](O)c1ccc(N2C[C@@H]3CCS(=O)(=O)[C@H]3C2)c(Br)c1	2145050189	PGYAIJDEURIATB-PUYPPJJSSA-N	360.273	2.126	10	10	FECE	
CC(C)(C)OC(=O)NCc1nc(=NCc2cccc(O)c2O)s[nH]1	2014198588	HFWPAEDZTDMJIG-UHFFFAOYSA-N	352.416	2.008	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CNCc2ccc(N3CCOCC3)cc2)C1	397677546	RANQPMOYXLRJFS-UHFFFAOYSA-N	361.486	2.480	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C(CNCc3cc4c(cc3O)OCO4)[C@@H]2C1	922787345	FKMWNUAWROPWEF-KBPBESRZSA-N	362.426	2.323	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(O)c2O)c2cncnc21	2174804645	ISWOMFSQKNIUQO-UHFFFAOYSA-N	372.381	2.290	10	10	FECE	
CC1(CCNC(=O)c2cccc(O)c2O)CN(C(=O)OC(C)(C)C)C1	2059315320	YKCVADRNUBCCEQ-UHFFFAOYSA-N	350.415	2.475	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@H](N=[N+]=[N-])C2)OC(C)(C)C1	2060639318	GQTIDPYTESMFDY-NWDGAFQWSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)NCC2(CN=[N+]=[N-])CC2)C1	2060633172	KQUHATIRFIQMRX-LBPRGKRZSA-N	353.423	2.219	10	10	FECE	
COc1cc(N)c(N2CC[C@@H](NC(=O)C(F)(F)F)[C@H](C)C2)cc1OC	2106843327	HSUCYCZOCASOPM-MWLCHTKSSA-N	361.364	2.179	10	10	FECE	
CN(CCCNCc1cccc(O)c1O)CCCNC(=O)OC(C)(C)C	2096960379	LPFHSVKQRQZQRI-UHFFFAOYSA-N	367.490	2.424	10	10	FECE	
C[C@@H]1CN(CCNCc2cc(Cl)cc(Br)c2O)C(=O)N1	2239293080	XSWXNMYEHHQGBN-MRVPVSSYSA-N	362.655	2.311	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1OC	2315987220	PCNDLSRDIGSQRM-STQMWFEESA-N	355.439	2.417	10	10	FECE	
CCCS(=O)(=O)N(C)NCc1cc(Cl)cc(Br)c1O	2339778890	CZVVCYIKVHPOJZ-UHFFFAOYSA-N	371.684	2.484	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@H]1CO[C@]2(CNC(=O)OC(C)(C)C)C[C@H]1C2	2342986511	ZAHDGIJIYPXEEW-XNJGSVPQSA-N	367.450	2.465	10	10	FECE	
O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2)SC1=S	1908113	DTPSNZKCDHPUJR-NGPGYTDTSA-N	351.405	2.206	10	10	FECE	
Cc1ccc(O)c(CN2CCN(C[C@@H](O)COc3ccccc3)CC2)c1	122709714	WSWPRYNEFLEEPO-LJQANCHMSA-N	356.466	2.258	10	10	FECE	
Cc1ccccc1C(=O)NC1CCN(C(=O)c2cccc(O)c2O)CC1	186933899	MOZLKGACYMYMPW-UHFFFAOYSA-N	354.406	2.441	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)CNC(=O)c2cccnc2)cc1F	120264241	QVHHXVHPDOXLPV-UHFFFAOYSA-N	358.417	2.113	10	10	FECE	
Cn1cnc2cc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cnc21	183654913	LCDXQTYDXGBZFN-MRXNPFEDSA-N	366.421	2.495	10	10	FECE	
COc1ccc(CNC(=O)N2CCN(c3ccc4c(c3)OCO4)CC2)cc1	243751215	PWXDBDFBCPKLPO-UHFFFAOYSA-N	369.421	2.456	10	10	FECE	
CCOC(=O)C(F)(F)[C@H](N)c1cc(Br)cc(OC)c1O	725274957	HLNPLYKFYFMXPL-SNVBAGLBSA-N	354.147	2.362	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3nn(C)c4c3CCCC4)CC2)cc1	823554084	HCMRQNDWBJHGEG-UHFFFAOYSA-N	354.454	2.270	10	10	FECE	
CC1(c2nnc(C3CCOCC3)o2)CN(Cc2cc3c(cc2O)OCO3)C1	828035890	MUTZJJBLZLULNU-UHFFFAOYSA-N	373.409	2.171	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)CCCC(=O)C3CC3)CC2)cc1	822823224	CWIFQFZGOQKCRW-UHFFFAOYSA-N	373.497	2.083	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)N3CC[C@@H]3C3CC3)CC2)cc1	837989510	SJVOCMDIIBHRIG-LJQANCHMSA-N	358.486	2.011	10	10	FECE	
CO[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@@](C)(C(=O)O)C1	908847960	XJJPNEVKXNFROV-QFBILLFUSA-N	361.442	2.060	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1	835053688	ZBHZQZFXCVBQKL-LZCIBIBXSA-N	351.516	2.122	10	10	FECE	
Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CNC(=O)N3)c2C)c1	732361632	MBXIPZJJEYCNKD-KRWDZBQOSA-N	369.421	2.118	10	10	FECE	
Cc1cc(CC(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)c(C)n1-c1ccccc1	830627429	IGTFPWDAODFODW-JXFKEZNVSA-N	355.482	2.472	10	10	FECE	
NS(=O)(=O)c1ccc(CNCCCSc2nccs2)c(F)c1	842683247	IGCJKSMJENDJKN-UHFFFAOYSA-N	361.489	2.202	10	10	FECE	
Cc1ccc(CC[C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2O)o1	743717824	IDBXQQVDRBTLOP-NSHDSACASA-N	366.439	2.416	10	10	FECE	
COc1c(C)cc(CN(C)C(=O)C(=O)NCCc2ccc(N)cc2)cc1C	842237216	BTPVVQJHSDDPKG-UHFFFAOYSA-N	369.465	2.212	10	10	FECE	
CC(C)(C)OC(=O)C1(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1	856209715	YTSITYWGCRXWKZ-UHFFFAOYSA-N	374.481	2.386	10	10	FECE	
CCOC(=O)C1=CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	858600206	UOICABGSTKYBSH-HOTGVXAUSA-N	373.453	2.225	10	10	FECE	
CN(C(=O)NCc1ccc(N2CCC(O)CC2)cc1)C1C[C@@H]2CC[C@H](C1)N2	851679935	FFRGAKZMAXQHCR-JJTKIYQPSA-N	372.513	2.072	10	10	FECE	
COc1ncc(/C=C/C(=O)N2C[C@H](N(C)C)CCc3ccccc32)cn1	857926565	HTGKAGCKYICXRQ-VGMNTSGFSA-N	352.438	2.408	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3CCNC34CCC4)C2)cc1	861648192	RTXAXGMMYZXSMW-CRAIPNDOSA-N	358.486	2.105	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCn3c(O)nnc3C2)c1C	763278799	FCKMDBMKVRGNSZ-UHFFFAOYSA-N	351.410	2.356	10	10	FECE	
COc1ccc(O)c([C@H](C)N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)c1	866492552	PNPPNMLROICUND-JCURWCKSSA-N	368.499	2.444	10	10	FECE	
COC(=O)C1(CS(=O)(=O)N(Cc2ccccc2O)C2CCCC2)CC1	866843242	JHQWVPQZVSEUAQ-UHFFFAOYSA-N	367.467	2.420	10	10	FECE	
O=C(c1ccncc1)N1CCC[C@@H](C(=O)N2Cc3cccc(O)c3C2)C1	871203406	ZUWNXYVGMUECCD-MRXNPFEDSA-N	351.406	2.182	10	10	FECE	
CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1cc(Cl)cc([N+](=O)[O-])c1O	776013897	OQSRNVQJUUWKQI-QWHCGFSZSA-N	372.805	2.496	10	10	FECE	
CN(C)c1ccc(CNc2ccc3c(c2)CN(CC(N)=O)CC3)cc1F	788528962	KXUUHEQULIAVJD-UHFFFAOYSA-N	356.445	2.347	10	10	FECE	
CC(C)[C@H](CNC(=O)Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	1136744417	RLADMGZOXQDOBA-ZDUSSCGKSA-N	352.431	2.306	10	10	FECE	
COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)NCc2ccc(OC)cc2O)C1	793062667	SRDXJCHNCPSLFK-TZMCWYRMSA-N	365.430	2.067	10	10	FECE	
COc1cc(NS(=O)(=O)c2ccc(N(C)C(C)=O)cc2)ccc1O	797819793	SSVAEBKHLYZHDW-UHFFFAOYSA-N	350.396	2.184	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1cc(C)on1	1152400736	FIOMUKZXFDDVTH-UHFFFAOYSA-N	352.774	2.086	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CC[C@H](c3cc(O)nc(O)n3)C2)c1O	1171665171	ACGLQBXOKIEEOU-JTQLQIEISA-N	363.801	2.439	10	10	FECE	
CN1CCN(c2ccc(CN3CCOC[C@@H]3CC(F)F)cc2F)CC1	1323782064	SQLRAXRKSWLODE-HNNXBMFYSA-N	357.420	2.434	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CSC(C)(C)C	1321048731	MZMQEFVVJRNWHR-LBPRGKRZSA-N	355.456	2.220	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNCc1ccc(O)c(O)c1O	723832999	VHMFWODUXUGVQR-AAEUAGOBSA-N	352.431	2.396	10	10	FECE	
CN1C[C@@H]2CC[C@H](NC(=O)NCc3cccc(Br)c3O)[C@H]2C1	1263783276	ZOGSFPPEKGSDAI-OBJOEFQTSA-N	368.275	2.294	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2C[C@@H](O)C3(CC3)C2)cc1	1348288006	YBHPWQWHBDUUPD-LJQANCHMSA-N	352.434	2.432	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)NC[C@@]34CCCC[C@H]3C4)C2)cc1	1351571518	SOIRIQRONZANAY-QYWGDWMGSA-N	371.481	2.087	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H](Nc2ncccn2)C1	1452262039	RNMYUGCGTSECJS-NSHDSACASA-N	356.407	2.429	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)cc1	1294554468	DYIBFEPLQZBCSR-CVEARBPZSA-N	359.430	2.222	10	10	FECE	
CC1(C)C[C@@](C)(NC(=O)NCc2cc(Br)ccc2O)C(=O)O1	1528375159	WKZFHTGLWGHDEJ-OAHLLOKOSA-N	371.231	2.438	10	10	FECE	
CCCN(Cc1ccc(N2CCOCC2)cc1)[C@H](COC)C(=O)OCC	1617205768	BIXLRAUPNDSXDM-LJQANCHMSA-N	364.486	2.313	10	10	FECE	
COCCN1C[C@H](C(=O)NCc2cc(C)n(-c3ccccc3)c2C)CC1=O	1624075457	OXLDTDPEXVLWIH-GOSISDBHSA-N	369.465	2.205	10	10	FECE	
Cn1c(C(F)(F)F)nc2cncc(C(=O)NCc3cc(O)ccc3O)c21	1558175479	SDSPYGAEWZUXJG-UHFFFAOYSA-N	366.299	2.328	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)NC[C@H]3CCC(C)(C)CO3)cc2)CC1	1638007076	CGCOGEYAFRDGRL-LJQANCHMSA-N	374.529	2.443	10	10	FECE	
CCc1nnc(N2CCO[C@@H](COC)C2)n1Cc1ccc(N(C)C)cc1C	1727628691	OJJVRTLZMWVFCZ-GOSISDBHSA-N	373.501	2.115	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2124537487	YQZKIBSTUMCPMY-MGPQQGTHSA-N	367.450	2.417	10	10	FECE	
Cc1cc(NC(=O)[C@H](C)SCC(=O)NCc2c(O)cccc2F)no1	1646028427	IJJZFSXAJOUMNA-JTQLQIEISA-N	367.402	2.204	10	10	FECE	
CCN(CC)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)OC)cc1	1746089683	FYDBBOHPLVCVMY-MRXNPFEDSA-N	372.473	2.121	10	10	FECE	
CN1CCCc2cc(CN[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)ccc21	2126240468	PZOLPTFATRNNHB-FUHWJXTLSA-N	361.486	2.139	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC(N3CCCC3=O)CC2)c([N+](=O)[O-])c1	1772826629	QZBJDWFXBUKWKO-ALCCZGGFSA-N	373.409	2.372	10	10	FECE	
CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N(C)C)cc1C	1695511321	ZBYHSMRWUIRKKH-UHFFFAOYSA-N	358.490	2.295	10	10	FECE	
C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1	2132409583	GUWDHBXGLFNJBK-QWRGUYRKSA-N	366.414	2.179	10	10	FECE	
CN[C@H](C)c1ccc(N(C)[C@H]2CCS(=O)(=O)C2)c(Br)c1	251230103	AUZVTGQYEQODCB-PWSUYJOCSA-N	361.305	2.353	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1	269213774	PDXZAYSCEPKOCZ-ZDUSSCGKSA-N	350.415	2.014	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC12CC(NCc1ccc(O)c(O)c1O)C2	2032211386	OXUYPJOOKBRJTQ-NOBQPIJMSA-N	350.415	2.339	10	10	FECE	
CCS(=O)(=O)[C@H]1CCN(c2ccc(CNC)c(Br)c2)C1	2179902421	OSXPPHBPSOYMFZ-ZDUSSCGKSA-N	361.305	2.182	10	10	FECE	
CN(C(=O)CN1C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1)c1ccc(N)cc1	2188890953	RFQGBVGSOSIHMG-YOEHRIQHSA-N	374.485	2.173	10	10	FECE	
O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1	2188868000	KLLRESPXNTYZAI-WBVHZDCISA-N	368.433	2.398	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@](F)(CNCc2ccc(O)c(O)c2O)C1	2046408815	VJGMUMHGPLXQMV-QQVUYCAZSA-N	356.394	2.288	10	10	FECE	
COC1(CCNCc2ccc(O)cc2O)CN(C(=O)OC(C)(C)C)C1	2048136326	ANKDHDWCTMSPST-UHFFFAOYSA-N	352.431	2.213	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)C1	2060632900	HFJMEBNFSVMWDA-STQMWFEESA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)NCCn1cnc(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])c1	2225791346	CQFXRZFBBAARIY-VXGBXAGGSA-N	363.422	2.369	10	10	FECE	
CNCc1cc(OC)ccc1N(C)C[C@]1(O)CCN(Cc2ccccc2)C1	2235965084	BNMFWSLXMMWMHC-JOCHJYFZSA-N	369.509	2.488	10	10	FECE	
CN1CCc2cc([C@@H](O)C3CN(C4CN(C(=O)OC(C)(C)C)C4)C3)ccc21	2284474094	GZMNQTGJYRMOQD-LJQANCHMSA-N	373.497	2.263	10	10	FECE	
C[C@H]1CCCN(CCNC(=O)C=Cc2ccc(N3CCOCC3)cc2)C1	2297505822	WSEGHDHTANGVBJ-SFHVURJKSA-N	357.498	2.385	10	10	FECE	
C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C=Cc1ccc(N2CCOCC2)cc1	2297564654	VADBEIADBONWNZ-YLJYHZDGSA-N	355.482	2.232	10	10	FECE	
CCCN1CCCN(C(=O)C=Cc2ccc(N3CCOCC3)cc2)CC1=O	2311330307	MYXFXKYEYKPCLA-UHFFFAOYSA-N	371.481	2.007	10	10	FECE	
CCOc1ccc(C=C2SC(=S)N([C@H](C(=O)O)[C@@H](C)O)C2=O)cc1	2318683887	KNLLQGNCXQHKRS-RNCFNFMXSA-N	367.448	2.121	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O1	2313370462	MGWJBRLVAJWRBS-JHJVBQTASA-N	353.423	2.170	10	10	FECE	
O=c1[nH]c2ccc(S(=O)(=O)Nc3cccc(N4CCCC4)c3)cc2[nH]1	62146811	LFXCYFGLGOMTMU-UHFFFAOYSA-N	358.423	2.257	10	10	FECE	
COc1ccc(N(CC(=O)N2CCC(C(N)=O)CC2)[C@@H](C)C2CC2)cc1	171937992	JUCQYAHSMSZCHP-AWEZNQCLSA-N	359.470	2.024	10	10	FECE	
CN(c1ccc(CN)cc1Br)[C@@H]1CC[C@@H](S(C)(=O)=O)C1	2361592410	FEHRPBLOZNTJGM-VXGBXAGGSA-N	361.305	2.310	10	10	FECE	
CN(c1ccc(CO)c(Br)c1)[C@H]1CC[C@@H](S(C)(=O)=O)C1	2361702557	RGTYDWWCPVIKEJ-WCQYABFASA-N	362.289	2.343	10	10	FECE	
COc1cc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1O	280501839	CTUFPYQMTGMMOC-UHFFFAOYSA-N	351.380	2.363	10	10	FECE	
CC[C@H](NC(=O)C(=O)NCCCSc1nccs1)c1nccs1	806277691	FLXKZVBALZEYFU-JTQLQIEISA-N	370.525	2.466	10	10	FECE	
C[C@@H]1CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C[C@@H](C)O1	838744595	NIDQBFKWVBKNJS-CHWSQXEVSA-N	369.412	2.120	10	10	FECE	
CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc(O)cc1COC	840918067	PUDFAQCFULVKKC-UHFFFAOYSA-N	353.444	2.198	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3CCOC[C@H]3c3ccnn3C)ccc21	844936381	XVJMRTRRUNTHDU-IBGZPJMESA-N	369.469	2.086	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCC[C@@H]2C[C@H]3C=C[C@H]2C3)cc1F	848931750	HMBRRBWOZUIGPX-CWRNSKLLSA-N	359.445	2.226	10	10	FECE	
Cn1nccc1[C@H]1COCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1O	846116317	SFNCSLOLWBQEFE-CQSZACIVSA-N	352.778	2.261	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C	844035983	PLWMDTQHFKNDSI-HNNXBMFYSA-N	374.510	2.348	10	10	FECE	
CCN1CCN(c2ccc(CNc3cc4nnc(C)n4cn3)cc2F)CC1	840260350	DTYSFQQJLVPRDO-UHFFFAOYSA-N	369.448	2.326	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCCc3c(C)noc3C)C2)cc1	852077136	ZPHOBAGKWQOSLI-OAHLLOKOSA-N	358.442	2.421	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@@H](C)c3nccn3C)CC2)cc1	852687705	AQKFJPIDIKXIKC-HNNXBMFYSA-N	357.458	2.412	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC(=O)N(C)[C@@H](C)C2)c1	861546789	KZGTYVJQQNNZJX-AWEZNQCLSA-N	353.422	2.209	10	10	FECE	
C[C@H](NC[C@@]12COCCN1C(=O)OC2)c1cccc(C(F)(F)F)c1O	866521788	PBSYJEGKGUWIGR-BONVTDFDSA-N	360.332	2.283	10	10	FECE	
O=C1CNC(=O)N1Cc1ccc(CN[C@@H]2CCc3cccc(O)c32)cc1	866524499	FLRYOCXQIADUJD-MRXNPFEDSA-N	351.406	2.221	10	10	FECE	
C[S@](=O)c1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1	770220115	BLCLQDXATQXSQD-VWLOTQADSA-N	358.463	2.191	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CC[C@H](O)[C@H](O)CC3)c2C)cc1	1124036934	QKWOMVBYFTYGNY-ILKSOTCGSA-N	372.465	2.497	10	10	FECE	
COCCN1CCC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1	896210901	OYAXMVAUGGFWRB-GFCCVEGCSA-N	350.440	2.153	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(F)ccc3N)cc2)CC1	1138230473	UNYUUVRWSKVDLS-UHFFFAOYSA-N	370.428	2.006	10	10	FECE	
Cn1cc(C(=O)NCc2ccc(O)cc2O)c(-c2ccc([N+](=O)[O-])cc2)n1	1142530099	LUIZNLWNLDYKNS-UHFFFAOYSA-N	368.349	2.337	10	10	FECE	
CC(C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@]1(O)CCO[C@H]1C	1302579490	OWZGWSZAQJASIL-LIRRHRJNSA-N	360.458	2.283	10	10	FECE	
COc1cc(Br)c(N)c(C(=O)NCc2cc(O)ccc2O)c1	1303226696	FDGURZHAJFGCDN-UHFFFAOYSA-N	367.199	2.381	10	10	FECE	
C[C@@H](NC(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@H]1CN(C)CCN1C	1313427183	XMSPCPJFZHWJEO-YLJYHZDGSA-N	373.545	2.063	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCCN2C(=O)COc3ccccc32)cc1	1442647811	OIBPBZRVLXXQNS-UHFFFAOYSA-N	367.365	2.004	10	10	FECE	
CCN(CC)c1ccc(Cn2c(C)nnc2N(C)C[C@H](C)C(=O)NC)cc1	1295409368	DGFQEPZYRCMTET-HNNXBMFYSA-N	372.517	2.299	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(F)cc(F)c2O)[C@H](CO)C1	2116266220	OLCLUPSKWIKMSH-SWLSCSKDSA-N	372.412	2.378	10	10	FECE	
O=C(NCc1cccc(Br)c1O)c1cc2n(n1)CCC[C@@H]2O	1297439419	HQOINAQNAGKAMY-ZDUSSCGKSA-N	366.215	2.108	10	10	FECE	
CCc1nnc(N(C)Cc2cnn(C)c2)n1Cc1ccc(N(C)C)c(F)c1	1709038588	SBKAIZJNJJPKCB-UHFFFAOYSA-N	371.464	2.464	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CCCC[C@H]3[C@@H]3CCCO3)nc12	1473885832	XQBFPJIMGWKYOU-HOTGVXAUSA-N	374.441	2.145	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(-c2ccccc2)c1N	1556158091	RPRFMDFITUDJLH-LBPRGKRZSA-N	352.394	2.227	10	10	FECE	
CS(=O)(=O)c1ccc(NCC(=O)NCc2cccc(Cl)c2O)cc1	1637232108	JPEQBNWLINBVNF-UHFFFAOYSA-N	368.842	2.177	10	10	FECE	
C[C@@H](NC(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1)c1ccc(N(C)C)cc1	1634447969	FLFUVKKWQJENIC-WBMJQRKESA-N	361.442	2.416	10	10	FECE	
CCCNC(=O)Cn1c(C2CCC2)nnc1N(C)Cc1ccccc1O	1728202031	CRNQRWOMZXYLJA-UHFFFAOYSA-N	357.458	2.414	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cn3)cc2)CC1	1643194097	QWVRWMGFSQNOCT-UHFFFAOYSA-N	355.398	2.304	10	10	FECE	
CSc1ccc(/C=C2/SC(=S)N([C@H](C(=O)O)[C@@H](C)O)C2=O)cc1	1858592562	SNEZCPNJAFZUSH-KBKYEYNWSA-N	369.489	2.444	10	10	FECE	
COc1ccc(OC)c(Cc2nnc(=Nc3ccccc3O)[nH]c2O)c1	1859426489	CKKRXQDIHVNEBV-UHFFFAOYSA-N	354.366	2.056	10	10	FECE	
Nc1ccc(OCCCN2CCC[C@@H](NC(=O)Cc3ccncc3)C2)cc1	586073166	WNLJLXBWMCWSAN-LJQANCHMSA-N	368.481	2.256	10	10	FECE	
C[C@H]1C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)CCN1C(=O)OC(C)(C)C	2132411208	SYRVAOCQSXJUHY-CMPLNLGQSA-N	366.414	2.321	10	10	FECE	
C[C@@H](F)CCNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136241207	WJHUCASCQCKOGI-YPMHNXCESA-N	370.421	2.398	10	10	FECE	
CC(C)N[C@](CSc1nccs1)(C(N)=O)C1(Br)CC1	2141667795	MEVZVYUVQAKMLS-GFCCVEGCSA-N	364.334	2.385	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CCO)(CNCc2cccc(F)c2O)C1	1972801427	XIFDNAXOABBRIH-UHFFFAOYSA-N	354.422	2.240	10	10	FECE	
COC[C@@]1([C@@H](N)c2ccccc2O)CN(C(=O)OC(C)(C)C)CCO1	2029560255	SNGQIHCDANVXSQ-MAUKXSAKSA-N	352.431	2.045	10	10	FECE	
COC[C@]1(NCc2ccc(O)c(O)c2)CCN(C(=O)OC(C)(C)C)C1	2039840740	JOMAXKXOIJYUTM-SFHVURJKSA-N	352.431	2.213	10	10	FECE	
O=C(Nc1ccc(I)cc1F)c1cc(O)nc(O)c1	700472340	RKMKRLQCWCQDMZ-UHFFFAOYSA-N	374.109	2.489	10	10	FECE	
CN(CC1(S(C)(=O)=O)CCC1)c1ccc(CO)c(Br)c1	2167824700	JOHOQUPBAONNRL-UHFFFAOYSA-N	362.289	2.345	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3Nc1c(N)cccc1C(N)=O	2169563157	VVGHRWOCRIRRGJ-UFWSXCRTSA-N	372.469	2.424	10	10	FECE	
C[C@H]1COC[C@@H](C(=O)NCc2ccccc2O)N1C(=O)OC(C)(C)C	2060139500	XSYYLZFNOJETGS-JSGCOSHPSA-N	350.415	2.033	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COCC[C@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2060632941	HMBJWQCZVUVLLD-NEPJUHHUSA-N	353.423	2.123	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2060635385	LHRMEQXSKAOTOE-STQMWFEESA-N	355.439	2.344	10	10	FECE	
C[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)c1c(O)cccc1O	2063347562	BEMYQBGMKQLZBS-AVGNSLFASA-N	352.431	2.119	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)COc2ccc(N)cc2)CC12CC2	2106698994	GXATWYGRKPUBLO-OAHLLOKOSA-N	361.442	2.163	10	10	FECE	
Nc1ccc(OCC(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)cc1	2090345144	OUNPVAIHSUZDQB-RTBURBONSA-N	356.422	2.138	10	10	FECE	
Cc1ncnc(NS(=O)(=O)Cc2ccc(N)cc2)c1Br	2238429890	RTYVZEYNTSDCLP-UHFFFAOYSA-N	357.233	2.072	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NCc3ccccc3O)CO[C@H]1C2	2266186272	KDGDBAFFOLDUMI-WTANOLMUSA-N	362.426	2.081	10	10	FECE	
CCCCOC(=O)[C@@H](C)NC(=O)C=Cc1ccc(N2CCOCC2)cc1	2297705497	BYYWCVKSLKHMLX-MRXNPFEDSA-N	360.454	2.384	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H]3CC[C@@H](OC)C3)CC2)cc1F	188007935	MTQWZYUTIIVKKU-DZGCQCFKSA-N	351.422	2.233	10	10	FECE	
CNC(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1	30419092	PYQDRVYDWSKTTN-UHFFFAOYSA-N	373.478	2.125	10	10	FECE	
COC(=O)CCCCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	187601308	DADYUFSZPYEUQI-UHFFFAOYSA-N	366.433	2.136	10	10	FECE	
Cc1cc(C(=O)N2CCN(C[C@@H](C)O)CC2)c(C)n1-c1ccc(C#N)cc1	186833274	FZGXDHNZUKRXCH-MRXNPFEDSA-N	366.465	2.104	10	10	FECE	
CCn1nccc1N1CCC[C@H](N[C@H](C)c2cc(OC)ccc2O)C1=O	188578727	XTXIKZVGKLKZKK-CJNGLKHVSA-N	358.442	2.463	10	10	FECE	
Nc1ccc(CCNC(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)cc1	237947941	VXNPMUDLZXYDKW-OAHLLOKOSA-N	359.376	2.259	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3CC(=O)N(C)[C@@H](C)C3)c2C)cc1	800650895	HPJUUUBRCZNIFM-AWEZNQCLSA-N	355.438	2.405	10	10	FECE	
O=C1CC[C@H](N2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)CCN1	825148582	XNADKNOBMCOFKO-NRFANRHFSA-N	370.541	2.463	10	10	FECE	
CCOC(=O)C[C@@H](CO)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	820055711	ZRNCHQXJLQRKSK-INIZCTEOSA-N	358.438	2.446	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C[C@H]3CCOC[C@@H]3OC)CC2)cc1	823004782	XURQDCOWVIPUQF-BEFAXECRSA-N	362.470	2.222	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3C[C@H](O)C[C@@H]3[C@H]3CCCOC3)ccc21	838031995	UPZQUWPMFQPFAM-NLWGTHIKSA-N	373.497	2.140	10	10	FECE	
CN(C)c1ccc(/C=C/CN(C)C2CCN(S(C)(=O)=O)CC2)cc1	835030607	ZTFTWHBEUNZCED-AATRIKPKSA-N	351.516	2.122	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2CC3CCC2CC3)c1	843958088	LRKIIALFTDZVFD-BPCQOVAHSA-N	352.456	2.320	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCOC[C@H]1CC1CC1	914334727	CXTXLRABMFWUJB-LJQANCHMSA-N	359.470	2.234	10	10	FECE	
C[C@H](NC(=O)N1CC[C@@]2(CCCNC2)C1)c1ccc(N2CCOCC2)cc1	841740957	LIJJWTKFPHGVQI-LAUBAEHRSA-N	372.513	2.369	10	10	FECE	
CN(C)c1ccc(CNC(=O)NCc2ccc3oc(=O)n(C)c3c2)cc1	858900046	ISCKUPIUUYKOTL-UHFFFAOYSA-N	354.410	2.197	10	10	FECE	
COc1ccc(N2CC[C@H](NCc3cnc(N4CCCC4)nc3)C2)cc1	850345828	LUNYXRLIVWCVAS-KRWDZBQOSA-N	353.470	2.454	10	10	FECE	
CCCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	855231613	WXZYNSCABPZLNK-DLBZAZTESA-N	373.497	2.429	10	10	FECE	
Cn1cc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)c(Cl)n1	856791095	QAAIMCTWVXRUSF-UHFFFAOYSA-N	356.804	2.478	10	10	FECE	
CCCN1CC(=O)N(Cc2ccc(N3CCN(CC4CC4)CC3)cc2)C1=O	761927269	GUTCCJBBIHPYMH-UHFFFAOYSA-N	370.497	2.393	10	10	FECE	
C[C@@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccncc1	864954206	MRFFBJKJKYDCCX-CRAIPNDOSA-N	366.465	2.203	10	10	FECE	
COc1cccc(CNC(=O)c2ccc(CNC(=O)C(F)(F)F)o2)c1O	860240886	LIFMJFXRUZKFQD-UHFFFAOYSA-N	372.299	2.102	10	10	FECE	
CC(C)n1ncc2cc(/C=C/C(=O)NCc3ccccc3O)c(=O)[nH]c21	769358759	AHNONWCHJXKRCL-BQYQJAHWSA-N	352.394	2.341	10	10	FECE	
C[C@@H](NC(=O)C(=O)N1CCCC1(C)C)c1ccc(N2CCOCC2)cc1	1117125939	AFSWSUVESBTFDP-OAHLLOKOSA-N	359.470	2.101	10	10	FECE	
O=C(CCC(=O)N1CCOc2ccccc21)N1Cc2cccc(O)c2C1	871203397	ZQPJYCYHRFUKSK-UHFFFAOYSA-N	352.390	2.440	10	10	FECE	
O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1cnn(CC2CC2)c1	777883843	SRJNHLGNZKHRJV-UHFFFAOYSA-N	360.483	2.372	10	10	FECE	
COc1ccc(N2CCN(C(=O)CCN(C)c3ccncc3)CC2)cc1	779491360	NKSXQMDJIHJLBC-UHFFFAOYSA-N	354.454	2.265	10	10	FECE	
COC[C@@H](F)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1O	1315822446	ULXYCNIKGNOECR-CABCVRRESA-N	364.421	2.109	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)c3cn4cccnc4n3)CC2)cc1	1324627594	WKIFMWDXPFGPTD-UHFFFAOYSA-N	351.410	2.090	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C2CN(C3CCOCC3)C2)cc1F	1331899583	JQPKGJAJUNLEFK-UHFFFAOYSA-N	363.477	2.399	10	10	FECE	
CO[C@@H]1CCN(c2nnc(-c3sccc3O)n2Cc2cc(C)on2)C1	1348536385	GYFITYIJINQCNX-GFCCVEGCSA-N	361.427	2.282	10	10	FECE	
O=C(N[C@@H]1[C@H]2CCC[C@H]21)C(=O)N(Cc1ccco1)Cc1ccccc1O	1343466457	HKJBTWJZMQEZAM-VQFNDLOPSA-N	354.406	2.429	10	10	FECE	
CC(C)(C)OC(=O)N1CCCN(CC(=O)N2CCC[C@H](N=[N+]=[N-])C2)CC1	2124514992	IAGZVWXJKIECDD-AWEZNQCLSA-N	366.466	2.231	10	10	FECE	
COc1ccc(CNC(=O)c2cccc(S(=O)(=O)C(F)F)c2)c(O)c1	1568097229	AJQXNLVDFDEDKJ-UHFFFAOYSA-N	371.361	2.327	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C(=O)NCc3cc(O)ccc3O)[C@@H]2C1	1643885195	MPWBRHROASKCOW-LZWOXQAQSA-N	362.426	2.217	10	10	FECE	
C[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1O	1587447474	SBYDFMAXGUJMMG-LBPRGKRZSA-N	357.366	2.298	10	10	FECE	
C[C@H]1OCC[C@]1(O)Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O	1743382447	GKHWNPIVQBLYLQ-YJYMSZOUSA-N	358.442	2.037	10	10	FECE	
Cc1nc(COc2cccc(C(=O)NCc3c(O)cccc3O)c2)no1	1597574977	WLZBCLKTRUBILT-UHFFFAOYSA-N	355.350	2.298	10	10	FECE	
Cc1cc(C)nc(-n2nc(C(=O)NCc3c(O)cccc3F)cc2C)n1	1596912254	NITSVGZRABVYQP-UHFFFAOYSA-N	355.373	2.362	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H]3CCS[C@H]3C)CC2)c(OC)c1	1682466453	MXKNRSKGACRNBN-ZFWWWQNUSA-N	365.499	2.429	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(C(=O)NCCOc2ccc(N)cc2)CC1	1903471557	IABNDHWGQOTUSR-UHFFFAOYSA-N	363.458	2.411	10	10	FECE	
COc1ccc([C@H](C)N[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c(O)c1	1918712967	AVFRJEZVFFAELQ-STQMWFEESA-N	366.458	2.422	10	10	FECE	
O=C(OCc1ccccc1)N1CC[C@H](NCc2ccc(O)c(O)c2O)C1	1938936662	PHRDCWAKZSDVFW-HNNXBMFYSA-N	358.394	2.304	10	10	FECE	
O=S1(=O)C[C@@H]2CC(NCc3cccc(Br)c3O)C[C@H]2C1	1974483935	NJOWVVTWGUFKNX-QWRGUYRKSA-N	360.273	2.068	10	10	FECE	
C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1CC(=O)Nc1ccc(N)cc1	2163041430	GUUONPUTAOICRH-CKEIUWERSA-N	374.485	2.395	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(CCNCc2cc(F)ccc2O)CC1	393487904	RDPBFULEXICDHR-UHFFFAOYSA-N	353.438	2.174	10	10	FECE	
CN[C@@H](c1ccc(N(C)C)cc1)[C@@H](NC(=O)OC(C)(C)C)c1cn(C)nn1	2166693232	BYPRYSJNANVZCC-IRXDYDNUSA-N	374.489	2.408	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2COCC[C@@]2(C(=O)NCCCN=[N+]=[N-])C1	2060616871	GOUVQSJYTQJFMG-BLLLJJGKSA-N	353.423	2.077	10	10	FECE	
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2060635081	HSUPJBYDSINPSS-AAEUAGOBSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)COc2ccc(N)cc2)C1	2106237856	UNLFHUMKNHFTMN-DZGCQCFKSA-N	363.458	2.457	10	10	FECE	
CCOC1(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])CN(C(=O)OC(C)(C)C)C1	2218746252	WBUCNXFBKWRUOE-NWDGAFQWSA-N	353.423	2.360	10	10	FECE	
COc1ccc(Br)c(CN2CCS[C@@H](C(=O)O)C2)c1O	2236044579	PBYWSUKKPCVIGF-LLVKDONJSA-N	362.245	2.165	10	10	FECE	
COc1ccc(Br)c(CN2C[C@@H](N)CC(F)(F)C2)c1O	1206132287	NXFWQKZEJQOUDV-QMMMGPOBSA-N	351.191	2.332	10	10	FECE	
CCCOc1ccc(Br)cc1C=C1C(=O)NC(=O)N(C)C1=O	2313547742	AUXYLLRHWNCLNZ-UHFFFAOYSA-N	367.199	2.330	10	10	FECE	
CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCN1CCCCN=[N+]=[N-]	2320306184	WUJHMBZDOMOTNO-ZDUSSCGKSA-N	354.455	2.134	10	10	FECE	
COc1cccc(/C=C2/C(=O)NC(=O)N(CCc3ccccc3)C2=O)c1	59859882	KOHGEXNKXQTOAE-LGMDPLHJSA-N	350.374	2.400	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCCN(C)C(=O)C2)cc1F	188083245	WHEBLFBYNCKDRT-UHFFFAOYSA-N	350.438	2.046	10	10	FECE	
COc1ccc([C@H](CC(=O)NCCc2ccc(N)cc2)NC(C)=O)cc1	237255572	ZNZRIEYXXPBMFH-IBGZPJMESA-N	355.438	2.204	10	10	FECE	
Cc1cc(/C=C\C(=O)OCc2nc(N)[nH]c(=N)n2)c(C)n1-c1ccccc1	255510340	XUFRUZWXQOMJLK-HJWRWDBZSA-N	364.409	2.031	10	10	FECE	
NC(=O)c1ccc(NC(=O)/C=C\c2ccc(N3CCOCC3)cc2)cc1F	255722170	UMVIUAWKKRFPNH-BAQGIRSFSA-N	369.396	2.413	10	10	FECE	
COCCOC[C@@H]1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1	266232960	JTCDDZUJRMCAHH-CSPWOOARSA-N	364.398	2.270	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CC[C@H](C(=O)OC(C)(C)C)C2)c1O	278302433	WAMPXWGLMIZDIL-LBPRGKRZSA-N	352.387	2.473	10	10	FECE	
Cc1ccc(CN2CC(S(=O)(=O)C(F)F)C2)c(O)c1Br	2380765320	LMOWIUDDRWJJIO-UHFFFAOYSA-N	370.215	2.285	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(c2cc3c(cc2N)NC(=O)CC3)C1	2163129612	ZARGSNFPBPTRGX-MWLCHTKSSA-N	370.375	2.047	10	10	FECE	
CC[C@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)c1nccs1	803687426	MJLXDMGSQJDUTB-HNNXBMFYSA-N	372.494	2.409	10	10	FECE	
COc1ccc(N2CC[C@@H](CNS(=O)(=O)c3ccc(C)o3)C2)cc1	819886674	AJLPDWYQVNCFGI-AWEZNQCLSA-N	350.440	2.401	10	10	FECE	
CN(CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)Cc1cc[nH]n1	733997114	LKVUQEVIRLFJEK-UHFFFAOYSA-N	374.400	2.256	10	10	FECE	
COc1ccc(N2CCN(CCNc3cccnc3[N+](=O)[O-])CC2)cc1	742926556	GYIVRPWTOSJLJY-UHFFFAOYSA-N	357.414	2.233	10	10	FECE	
Cc1cc(C(=O)N2CCC(N3CC[C@H](O)C3)CC2)c(C)n1-c1ccccn1	856253389	ADDNCYZKXVQPHR-SFHVURJKSA-N	368.481	2.160	10	10	FECE	
CCOC(=O)CC[C@@H](C)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	853919619	CCPWTZKRJKOOIW-HUUCEWRRSA-N	363.458	2.305	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc4c(cc3OC)OCO4)CC2)cc1	758826443	GYEIJOBUDXSYQR-UHFFFAOYSA-N	370.405	2.395	10	10	FECE	
COCc1n[nH]c(CN[C@H](C)c2cc(Br)cc(F)c2O)n1	850515570	YVFVUFUOXCCRNU-SSDOTTSWSA-N	359.199	2.409	10	10	FECE	
CC[S@@](C)(=O)=NS(=O)(=O)NCc1ccc(N2CCC(C)CC2)cc1	866753116	JCRAMYBBBLRHGY-HSZRJFAPSA-N	373.544	2.375	10	10	FECE	
C[C@@H]1NCC[C@H]1NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	861595801	HHACISRLTZBBTI-HEHGZKQESA-N	368.428	2.306	10	10	FECE	
CNS(=O)(=O)c1ccc(CCN[C@H](C)c2cc(F)ccc2O)cc1	866579960	VTMCGXMKSZPOPT-GFCCVEGCSA-N	352.431	2.333	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCOC[C@H]1C	1117464510	JEMQKASVLXTOTI-CRAIPNDOSA-N	361.486	2.031	10	10	FECE	
COC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(O)cc2F)s1	788065254	BNANSLMTJHEQCO-UHFFFAOYSA-N	374.415	2.292	10	10	FECE	
CN(Cc1cnc(N(C)C)nc1)C(=O)NCc1ccc(N(C)C)c(F)c1	780826770	GWCDQAYKPLYJJE-UHFFFAOYSA-N	360.437	2.089	10	10	FECE	
CC(C)c1nn(C)cc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	796859783	ANXNCBIGWMPYOH-UHFFFAOYSA-N	367.453	2.175	10	10	FECE	
Cc1nnc(N2CCCC2)n1Cc1ccc(N2CCC(CO)CC2)cc1	1304842048	UMUCIBQJLLEOMK-UHFFFAOYSA-N	355.486	2.444	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cnn(C3CCCC3)c2)c1	1156030202	PCROLUBVUACEIA-UHFFFAOYSA-N	364.427	2.328	10	10	FECE	
CN(C[C@@H]1CCCS1(=O)=O)c1cc(Br)c(CN)cc1F	694092954	BCEKWQZISMNJFP-JTQLQIEISA-N	365.268	2.060	10	10	FECE	
COc1ccc(N2CCCN(C(=O)c3cnn4c3NC[C@@H](C)C4)CC2)cc1	1346211185	SIPHJBRPSMMZKX-OAHLLOKOSA-N	369.469	2.306	10	10	FECE	
COCC[C@](C)(O)Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O	1518968991	VTOGAXSDYVCYGK-IBGZPJMESA-N	360.458	2.285	10	10	FECE	
O=C(N[C@@H]1CN(c2ccc(Br)cc2)C1=O)c1cc(O)cs1	1298860733	ZMZCMUQMVYTUQS-LLVKDONJSA-N	367.224	2.361	10	10	FECE	
C[C@H](N[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)c1ccc(O)cc1O	2121674166	SOGRHOOXQKHIDU-OFSOMGBPSA-N	364.442	2.383	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ncc(Cl)cn1	1546151943	MPIIHHUPMVGYII-UHFFFAOYSA-N	370.192	2.304	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)NCCc2ccc(O)c(O)c2)CC1(C)C	2124193725	DIESECYEIBESIT-IBGZPJMESA-N	364.442	2.450	10	10	FECE	
CN(C(=O)OC(C)(C)C)C1CC(C(=O)NCc2c(O)cccc2O)C1	1652628388	BDWBOOYYFIFXAJ-UHFFFAOYSA-N	350.415	2.360	10	10	FECE	
C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1nnc2n1CCCC2	153002816	HITBCJIRIWAQFR-GFCCVEGCSA-N	360.437	2.380	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](CC(=O)N2CC[C@H](N=[N+]=[N-])C2)OCC12CC2	2128596920	JXFSBUKRYZEEDF-STQMWFEESA-N	365.434	2.456	10	10	FECE	
COc1cc2[nH]c(C(=O)Nc3ccc(N)cc3)cc(=O)c2c(OC)c1OC	1866545880	ZNPAWXXWFYXCHN-UHFFFAOYSA-N	369.377	2.388	10	10	FECE	
CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1cc(O)c(O)c(O)c1	2132411064	RWUJUEPWFIGLEC-LBPRGKRZSA-N	366.414	2.275	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)N3CC[C@@H](CN=[N+]=[N-])C3)O2)C1	2140444942	LTBQJTNSDVQSRH-STQMWFEESA-N	365.434	2.314	10	10	FECE	
CCCN[C@@H]1C(=O)Nc2cc(N(CC(=O)NC)Cc3ccccc3)ccc21	2152241715	WWDDELUILGLMQR-FQEVSTJZSA-N	366.465	2.432	10	10	FECE	
CN(Cc1ccc(N)cc1)C(=O)[C@@H]1CC[C@H](C(=O)O)N1Cc1ccccc1	2162607817	SLWAZCGIKXIFHJ-RBUKOAKNSA-N	367.449	2.345	10	10	FECE	
Nc1ccc(OC[C@H](O)CN2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1	705901389	YPBRREHMKWRWFP-SFHLNBCPSA-N	367.493	2.072	10	10	FECE	
CN1CCc2cc(CNCCN3CCN(C(=O)OC(C)(C)C)CC3)ccc21	378870361	MDQUSFUDLPOBRZ-UHFFFAOYSA-N	374.529	2.321	10	10	FECE	
CCO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2060640567	WPXYDSAQWJHSLH-QWHCGFSZSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1CC(=O)N1CC[C@@H](N=[N+]=[N-])C1	2060612045	BIYODKWKOGMYID-JHJVBQTASA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)NCc1nc(=NC(=O)Nc2ccc(N)cc2)s[nH]1	2067323697	FBTUTXQOVLRJSM-UHFFFAOYSA-N	364.431	2.211	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H](CN=[N+]=[N-])C1)C(C)(C)O	2067739867	LGNYHHLCPUWLLO-NEPJUHHUSA-N	355.439	2.200	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H](CN=[N+]=[N-])C1)C(C)(C)O	2067739870	LGNYHHLCPUWLLO-VXGBXAGGSA-N	355.439	2.200	10	10	FECE	
C[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)c1ccccc1O	2192617836	NOURVIVQRFITJC-DOMZBBRYSA-N	374.441	2.429	10	10	FECE	
Cc1cc(C=CC(=O)N2CCN(CCO)CC2)c(C)n1-c1ccccc1	2296712935	JAAGMLKXLFUZEA-UHFFFAOYSA-N	353.466	2.244	10	10	FECE	
Cc1nc2scc(C)n2c1C=C1SC(=S)N(CC(=O)O)C1=O	2318684164	SCGIPLQGQBTYRJ-UHFFFAOYSA-N	353.450	2.298	10	10	FECE	
CSc1ncc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)cn1	59406645	JQEAZIGBOQGANA-MDWZMJQESA-N	354.391	2.207	10	10	FECE	
CC[C@H](C)NC(=O)CN(CC(=O)N[C@H](C)CC)c1ccc2c(c1)CCO2	31466171	UZCVMUAATLPHOT-GASCZTMLSA-N	361.486	2.257	10	10	FECE	
Cc1cc(C[C@H](C)NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n[nH]1	124893647	FUMFNUKTQMECHT-HNNXBMFYSA-N	371.485	2.327	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1	74190164	BYGCMZVCCUNWOM-ICSRJNTNSA-N	366.465	2.326	10	10	FECE	
Cn1cnc2cc(C(=O)NCc3ccc(N4CCSCC4)cc3)cnc21	183630684	LVJCYIXADURKAW-UHFFFAOYSA-N	367.478	2.452	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3CN(C(C)C)C[C@@H]3C)CC2)cc1	247524342	ZILZBCOEVUNBSI-QFBILLFUSA-N	360.502	2.256	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)NC[C@@H](O)c1ccccc1	255911397	NWIGUAZVBUIYAH-NHHWLVAYSA-N	352.434	2.386	10	10	FECE	
Cc1ccc(CNS(=O)(=O)N2CCCCC2)c(O)c1Br	2380760291	WJTKGEMGKMNQDX-UHFFFAOYSA-N	363.277	2.283	10	10	FECE	
COc1ccc(N2CCC(NC(=O)[C@@H]3CCCC34OCCO4)CC2)cc1	806746315	DDLQAXLODPAZIR-SFHVURJKSA-N	360.454	2.323	10	10	FECE	
Cc1nn(C)c(C)c1C[C@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O	819167412	CQTWPMAKXRIGLK-LBPRGKRZSA-N	356.426	2.138	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)Nc3c(C)cnn3C)cc2F)CC1	824387380	VRACCMSJEHJNDD-UHFFFAOYSA-N	374.464	2.331	10	10	FECE	
C[C@@H](CN(C)CCCN(C)C)NC(=O)N(C)Cc1ccc(N(C)C)cc1	820062637	GKVDGFWKORBMRX-KRWDZBQOSA-N	363.550	2.166	10	10	FECE	
COc1ccc(N2CCN(CCNC(=N)Nc3ccccc3)CC2)cc1	848996957	YUDVCSJGUXUHSQ-UHFFFAOYSA-N	353.470	2.454	10	10	FECE	
CC(C)n1cnc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1	845824956	CUOQDUZNCHVDIJ-UHFFFAOYSA-N	370.457	2.055	10	10	FECE	
COC(=O)N1CCC([C@H](C)NC(=O)NCc2c(O)cccc2F)CC1	922070632	SRCAHUUKLPFNOG-NSHDSACASA-N	353.394	2.197	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CCS1	929524986	YVZSXVMEBOHZRK-ZBFHGGJFSA-N	361.511	2.303	10	10	FECE	
CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N[C@@H](C)c1ccccc1O	827969623	QCTOISXTBDQSPS-QWHCGFSZSA-N	352.431	2.499	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC(C)(C)CN3CCCC3)C2)cc1	854296551	DVXZLPOARCWZEM-MRXNPFEDSA-N	360.502	2.448	10	10	FECE	
Cc1ccc(O)c(CNC(=O)NCc2cn(C)nc2Br)c1	924562259	TUNURHXURPVLEY-UHFFFAOYSA-N	353.220	2.196	10	10	FECE	
C[C@@H](N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(N(C)C)cc1	858489224	WSILTNCTKFZBRC-GDBMZVCRSA-N	351.458	2.120	10	10	FECE	
COC(=O)C[C@@H]1CCCN1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	852455609	UXYDKFKVJSWKML-ZBFHGGJFSA-N	361.442	2.011	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)COc3ccccc3[N+](=O)[O-])C2)cc1	855234719	KUJYHYQWJDFNST-CQSZACIVSA-N	371.393	2.377	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCCc3c(C)nn(C)c3C)C2)cc1	851956125	RUZAQKHSCQBZNS-INIZCTEOSA-N	371.485	2.166	10	10	FECE	
CCN1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	852088852	HUOZASAGQSAOLN-FUHWJXTLSA-N	360.502	2.448	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)C3=CCN(C)CC3)C2)cc1	852248534	IKRLXYNFIXISDK-DOTOQJQBSA-N	358.486	2.224	10	10	FECE	
C[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1nccn1C	852689629	HWMFLYCKJYMJCO-OAHLLOKOSA-N	371.485	2.189	10	10	FECE	
CN(c1ccc(CNC(=O)C2CS(=O)(=O)C2)cc1)C1CCCCC1	865027750	CAGFEWFLHCCEPW-UHFFFAOYSA-N	350.484	2.116	10	10	FECE	
Cc1ccc(CN2CCO[C@@H](CNC(=O)Cc3ccc(N)cc3)C2)cc1	867997704	IQTIZCMEVDQJLN-FQEVSTJZSA-N	353.466	2.137	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN(C)CC(=O)N2CCCC2)c1O	874055360	PXFBXVPMADJDBZ-UHFFFAOYSA-N	356.422	2.386	10	10	FECE	
COCCc1nnc(-c2cccc(C(=O)NCc3ccc(O)c(O)c3)c2)o1	778926292	UEOMYRAEQCMNAY-UHFFFAOYSA-N	369.377	2.267	10	10	FECE	
C[C@H](NC(=O)CN1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O	1877569153	YKMBBGOUVGMRNV-UONOGXRCSA-N	363.458	2.168	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2Cc1nc(Br)nn1C	894471458	SBEVMUFDIVBQHG-UHFFFAOYSA-N	352.236	2.043	10	10	FECE	
NS(=O)(=O)c1cc(C(=O)NCc2c(O)ccc3ccccc23)ccc1F	1157041796	OOHUMWXHGHHQMY-UHFFFAOYSA-N	374.393	2.262	10	10	FECE	
CCOc1ccc(N(CC2CC2)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1	1308001164	KNKVUTFHRWURNQ-KRWDZBQOSA-N	360.414	2.468	10	10	FECE	
CCc1c(C(=O)NCc2cc(O)ccc2O)nnn1Cc1ccccc1	1303225673	MPQHGKOPDKSRJX-UHFFFAOYSA-N	352.394	2.230	10	10	FECE	
C[C@H]1N(C(=O)OC(C)(C)C)C[C@@]1(O)[C@H](N)c1ccc2c(c1)CCCN2C	1887683374	INDAFYLTVFWDGY-DUXSXAKTSA-N	361.486	2.439	10	10	FECE	
COC(=O)c1c(CNCC(=O)NC2CCCC2)c2cc(F)ccc2n1C	1350310214	RDWNRLRTSGFWIU-UHFFFAOYSA-N	361.417	2.252	10	10	FECE	
Cc1sc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	1519890410	AWENXOQCMVPHAR-JTQLQIEISA-N	367.496	2.261	10	10	FECE	
COc1cc(N2CCN(CC3CCOCC3)CC2)c([N+](=O)[O-])cc1OC	1458192193	YQSKLPPRLBCICT-UHFFFAOYSA-N	365.430	2.161	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3CC(N[C@@H]4CCOC4)C3)c2C)cc1	1456294147	GTPNXZRCLJDDSI-MRXNPFEDSA-N	369.465	2.306	10	10	FECE	
CCOc1ccccc1N1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1	1538675237	FVOZSLBAQFHSPZ-UHFFFAOYSA-N	356.422	2.388	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2)cc1	1626614336	UUFSPZOYGDMODK-OAHLLOKOSA-N	351.366	2.162	10	10	FECE	
O=C(N[C@H](c1ccc(Cl)c(F)c1)c1nn[nH]n1)c1cc(O)cs1	1624786019	NOTVCUVISWVJRT-LLVKDONJSA-N	353.766	2.279	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1cnn2cccc(Br)c12	1557085063	AISLKKBGRAPZAM-UHFFFAOYSA-N	362.183	2.438	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(Cc2nc[nH]n2)cc1	1632681807	VQIQPUPCMXIBJW-GFCCVEGCSA-N	352.394	2.168	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@](C)(OC)C(=O)OC(C)(C)C	1636058466	DBVIPJXAISTJQU-SFHVURJKSA-N	358.431	2.241	10	10	FECE	
C[C@@H]1O[C@H](C)[C@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)[C@@H]1C	1565206294	NNYKKEMKTFDBMK-KDQHYCTGSA-N	362.518	2.466	10	10	FECE	
O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc12)c1cc(O)cs1	1635510003	ORTSXVBLWOWNDN-UHFFFAOYSA-N	359.367	2.147	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)c3nnc4ccccc4n3)CC2)cc1	1636702372	PCNHRIVHVUGTKX-UHFFFAOYSA-N	363.421	2.386	10	10	FECE	
COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2124507981	MPAUNTSLPFUOAZ-OLZOCXBDSA-N	371.438	2.397	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@@H]1C[C@H]2COCC[C@H]2N(C(=O)OC(C)(C)C)C1	2124537649	ALRCEHCGBDPGDC-HZSPNIEDSA-N	367.450	2.417	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cn4c(n3)C[C@@H](C)CC4)C2)cc1	1587115568	XFPYZNNTKQIAAD-GJZGRUSLSA-N	354.454	2.483	10	10	FECE	
[N-]=[N+]=NC[C@H]1CCCCN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1	1912147928	MTNMBZBIYMZDTN-ZIAGYGMSSA-N	357.414	2.056	10	10	FECE	
COc1c(O)cccc1/C=C1\SC(=S)N(CCCC(=O)O)C1=O	11291102	RXWJTBAVVVMPSJ-FLIBITNWSA-N	353.421	2.467	10	10	FECE	
O=C1[C@@H](O)C2(CCCCC2)N1C1CCN(Cc2cccc(F)c2O)CC1	169788250	BMRSGLSGJGXMRW-GOSISDBHSA-N	362.445	2.402	10	10	FECE	
C[C@H](c1ccccc1)N1C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)CC1=O	157821900	CYUZBAIRNXLOGN-PBHICJAKSA-N	368.433	2.366	10	10	FECE	
Nc1ccc(OCCN2CCC[C@H](NC(=O)Cc3ccccc3)C2)cc1	586060619	CBCQWIVWYXEFKK-IBGZPJMESA-N	353.466	2.471	10	10	FECE	
CC(C)N(Cc1ccc(N)cc1)C[C@@H](O)CN1C(=O)c2ccccc2C1=O	2025439417	CFCZSQITIANRQL-QGZVFWFLSA-N	367.449	2.136	10	10	FECE	
Nc1ccc(CS(=O)(=O)NCc2nccn2Cc2ccccc2)cc1	2029518031	OKEKWZGTYXSSLT-UHFFFAOYSA-N	356.451	2.133	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1cccc(O)c1O	2030121932	DOTBVTPOWMDJGJ-DZGCQCFKSA-N	352.431	2.212	10	10	FECE	
CN1C(=O)[C@H](N)c2ccc(N3C[C@H]4C[C@H]3CN(Cc3ccccc3)C4)cc21	2160683612	NIDVRNOAJXXRFY-DJPFJPOOSA-N	362.477	2.374	10	10	FECE	
COCCNC(=O)CN(C)Cc1cc(Cl)cc(Br)c1O	708212285	TYTMQQWLDSSZCM-UHFFFAOYSA-N	365.655	2.003	10	10	FECE	
C[C@H](CCCNS(=O)(=O)Cc1ccc(N)cc1)NC(=O)OC(C)(C)C	2044244409	UTNBCSPEGOOWPT-CYBMUJFWSA-N	371.503	2.382	10	10	FECE	
C[C@@H](CNC(=O)OC(C)(C)C)N(C)CCC(=O)Nc1ccc(N)cc1	2044611959	SIUUYJPQMXLEMO-ZDUSSCGKSA-N	350.463	2.442	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)C(=O)C[C@H]3C[C@H](N)C3)C[C@@H]21	2049783036	QCFGFWCEQSTBIY-WCBJTDJXSA-N	350.459	2.191	10	10	FECE	
CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(CCCN=[N+]=[N-])C1	2054255662	OPFDLCKHBBXIMF-CYBMUJFWSA-N	354.455	2.040	10	10	FECE	
C[C@@H](C=CC(=O)NCCc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2060183360	SIKKXRMTFHOOEF-LBPRGKRZSA-N	350.415	2.226	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)N2CCC(N=[N+]=[N-])CC2)N(C(=O)OC(C)(C)C)C1	2060610904	NCQZXRIEEHTZPB-CHWSQXEVSA-N	353.423	2.312	10	10	FECE	
COC[C@@](C)(CC(=O)N1CC[C@@H](CN=[N+]=[N-])C1)NC(=O)OC(C)(C)C	2060638831	BFZVMWCOCMRDDT-BLLLJJGKSA-N	355.439	2.465	10	10	FECE	
Nc1ccc(CNC(=O)[C@H]2CC[C@@H](C(=O)O)N2Cc2ccccc2)cc1	2105909850	DIMCCWWHZSROFI-MSOLQXFVSA-N	353.422	2.003	10	10	FECE	
C[C@H](O)c1ccc(N2CC(S(=O)(=O)C(F)F)C2)c(Br)c1	2206680745	FSBHCMJJIUPCCV-ZETCQYMHSA-N	370.215	2.328	10	10	FECE	
COc1ccc(C=C2SC(=S)N([C@H](C)C(=O)O)C2=O)c(OC)c1	2295990425	JNAIAPSKWQGYMF-MRVPVSSYSA-N	353.421	2.378	10	10	FECE	
O=C(O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2cccc(F)c2)SC1=S	2296881791	ASKWRHYDTBEHQR-JTQLQIEISA-N	369.395	2.345	10	10	FECE	
COC(=O)[C@@H](C)CN(C(=O)/C=C/c1ccc(N2CCOCC2)cc1)C1CC1	108711436	XQWQLDRDEYPRLR-YKXBDCQTSA-N	372.465	2.337	10	10	FECE	
CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(N3CCOCC3)cc2)C1	190157717	KDICTWLDCFKXPE-ZWKOTPCHSA-N	358.442	2.177	10	10	FECE	
COc1cc(N2CCN(CCOC(F)(F)F)CC2)cc(OC)c1OC	193497246	PDGLOMYPTNMKOG-UHFFFAOYSA-N	364.364	2.371	10	10	FECE	
COc1ccc(N2CCN(c3ccc(NC(=O)C(C)C)nn3)CC2)cc1	243334312	LQSIAEIHKFDILU-UHFFFAOYSA-N	355.442	2.406	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H]3CCCOC3)cc2F)C[C@@H](C)O1	264358574	HDDLXPRAHQHBPB-LZWOXQAQSA-N	365.449	2.418	10	10	FECE	
O=C1COc2ccccc2N1CCCNCc1cc2c(cc1O)OCO2	266128474	CHRYTBNRRWXEHF-UHFFFAOYSA-N	356.378	2.026	10	10	FECE	
COC[C@@H](C(N)=O)N(C)C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C	817941636	YYBVMKQVBGNNAU-INIZCTEOSA-N	363.845	2.320	10	10	FECE	
CNS(=O)(=O)CCCOC(=O)c1cc(C)n(-c2ccccc2C)c1C	735960521	JALWXEQRVGFPIM-UHFFFAOYSA-N	364.467	2.499	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@H](O)C[C@@H]1[C@H]1CCCOC1	838486573	PLOSMPQREHNVIX-DFQSSKMNSA-N	371.481	2.134	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)NCC[C@@H](C)F)CC2)cc1	836483189	PEPONASKQJGDQX-MRXNPFEDSA-N	366.481	2.255	10	10	FECE	
C[C@H]1CC[C@@H](C)N(C(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1	839348101	JFJBVQRUWHFCKA-DLBZAZTESA-N	373.497	2.129	10	10	FECE	
CC[S@@](=O)CCNC(=O)N(Cc1ccco1)Cc1ccccc1O	741425997	SXJZXSQSSAJNJK-XMMPIXPASA-N	350.440	2.466	10	10	FECE	
COc1c(C)cccc1CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	848931800	IENFSGDVKUITRC-UHFFFAOYSA-N	373.428	2.141	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)c3ccc4c(n3)OCCO4)C2)cc1	847088051	QHPSBHIPLMQPII-AWEZNQCLSA-N	369.421	2.118	10	10	FECE	
O=C1N[C@H](C2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)CC2)CO1	919917070	BVKHMZJMFPRIQM-SFHVURJKSA-N	370.453	2.093	10	10	FECE	
CC(C)CN1CCO[C@H](CNC(=O)CSc2ncc(Cl)s2)C1	849998204	LEYAHJBHIANBBG-LLVKDONJSA-N	363.936	2.362	10	10	FECE	
COC/C(C)=C/C(=O)NCc1cc(NC(=O)/C=C(\C)COC)ccc1O	923118095	GISQJRGSOMVJTF-FNCQTZNRSA-N	362.426	2.132	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)cc1	855229383	JOMZLUQHSRDVIA-UONOGXRCSA-N	363.458	2.303	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@H]1C[C@H]1C1CCOCC1	869795778	YOXUFBOGOZKTFF-RBUKOAKNSA-N	374.481	2.317	10	10	FECE	
COc1cc(F)ccc1N1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1	768445292	GCPONDVJSDPYFI-GOSISDBHSA-N	374.412	2.288	10	10	FECE	
COc1cc(OC)c(S(=O)(=O)N[C@@H](C)c2ccccc2O)c(OC)c1	867836384	QRBPXNFGEFEQDA-NSHDSACASA-N	367.423	2.458	10	10	FECE	
C[C@H](NC(=O)[C@@H]1[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]21)c1ccccc1O	1877573972	QVBYQJPFBMNSOF-KSYCFECVSA-N	362.426	2.204	10	10	FECE	
CCN(CCS(C)(=O)=O)Cc1cc(C)cc(Br)c1O	781910469	WFTYAHOMHBGVPG-UHFFFAOYSA-N	350.278	2.330	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c1	781914076	YAHCRAGRDCGTEG-QWRGUYRKSA-N	362.289	2.471	10	10	FECE	
COCCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(O)c(OC)c1	797819534	LFQOCEBCUJICKW-UHFFFAOYSA-N	371.386	2.366	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]2C(=O)NCc2ccco2)cc1	1142059446	OENSZDYWRRGFSI-HNNXBMFYSA-N	369.381	2.363	10	10	FECE	
CC(=O)N(c1ccc(N)cc1)c1nn2c(nc3cc4c(cc32)OCCO4)[nH]1	82741048	AMVQFNAQUBOMIC-UHFFFAOYSA-N	364.365	2.249	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC[C@H]1CC1(F)F	1331097503	IJXASAWCWBYFAP-AWEZNQCLSA-N	353.413	2.263	10	10	FECE	
CC1(C)CC[C@@H](CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)OC1	1353659876	IIDOVILHNWZTOO-SFHVURJKSA-N	373.497	2.224	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)[C@]3(C)C[C@H](O)CN3C)c2C)c1	1454625075	QBHHBPKVAGQCEH-FPOVZHCZSA-N	355.482	2.474	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(C)c(C)cn1	1296058661	RBDSIGYZTPFCBN-HNNXBMFYSA-N	358.394	2.014	10	10	FECE	
Cc1ccc(C(=O)N[C@H](C(=O)NCc2cccc(O)c2O)C(C)C)cc1	1521851715	QCQJCHCDTBHFPR-KRWDZBQOSA-N	356.422	2.477	10	10	FECE	
COc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1S(C)(=O)=O	1626577321	WXDHMDYOFIGISX-UHFFFAOYSA-N	351.380	2.071	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCc1cccc(NC(=O)[C@H]2CCCO2)c1	1626635767	LDAUWJMNXOBEOO-GOSISDBHSA-N	370.405	2.074	10	10	FECE	
Cc1ccc(C(=O)NCc2ccc(NC(=O)C(F)(F)F)nc2)c(O)c1O	1629514707	QVHITWPCVCZOPW-UHFFFAOYSA-N	369.299	2.232	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)CC1	2124534380	SJQBREGDYASNIO-CQSZACIVSA-N	366.466	2.231	10	10	FECE	
Cc1nc2cc(O)nn2c(C)c1CC(=O)NCc1cc(Cl)ccc1O	1640920064	KEBCZPVTHMBEDR-UHFFFAOYSA-N	360.801	2.270	10	10	FECE	
COC(=O)[C@@H](C)Oc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1F	1640656199	HLGBMFUDWGTVSV-SNVBAGLBSA-N	363.341	2.358	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CC[C@@]2(CCOC2)O1	1742754848	UKNVXIMWEMGAMJ-LPHOPBHVSA-N	358.442	2.267	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)Nc1ccc2nnc(Br)n2n1	1651734054	QZGNACMXZBTYCU-MRVPVSSYSA-N	364.203	2.341	10	10	FECE	
Cc1cc(Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccccc2O)on1	1742901529	WUJHCMXAPLPYAR-OAHLLOKOSA-N	369.425	2.469	10	10	FECE	
CCn1ncc(NCCOc2ccc(N)cc2)c(Br)c1=O	159319277	FYFWFVTWUQGNJY-UHFFFAOYSA-N	353.220	2.099	10	10	FECE	
COC1(CN[C@H](C)c2ccc(O)cc2O)CN(C(=O)OC(C)(C)C)C1	2040145946	MGRACQAJVNKNJE-GFCCVEGCSA-N	352.431	2.384	10	10	FECE	
C[C@H](N(Cc1ccccc1)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C(C)(C)O	2169946082	RBRLEMWBQMNLGY-YOEHRIQHSA-N	372.465	2.156	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](NCc2ccc(O)cc2O)C[C@@]12CCOC2	2098979021	ZCYXMEUDBUVPDT-AUUYWEPGSA-N	364.442	2.356	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2060638099	RYNAIAFQOKFNMU-YNEHKIRRSA-N	355.439	2.200	10	10	FECE	
CN(CCCOc1ccc(N)cc1)C[C@@H](O)CN(C)C(=O)OC(C)(C)C	2106685021	CLYRHNVFFGZYDK-MRXNPFEDSA-N	367.490	2.197	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(CCC(=O)Nc2ccc(N)cc2)[C@H]2C[C@H]21	2106763480	GKUXRQAFGGUIKK-JKSUJKDBSA-N	360.458	2.291	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1cc2c(cc1N)OCC(=O)N2	2106715079	UTXXJGKJGCIMHD-NSHDSACASA-N	362.430	2.045	10	10	FECE	
CCN1CCc2cc([C@H](N)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)ccc21	2106849534	XFLWFEBILYSOSK-FXAWDEMLSA-N	361.486	2.441	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](Nc2c(N)cccc2C(N)=O)C(F)(F)C1	2264442006	KHCPEQQPIURFTG-LBPRGKRZSA-N	370.400	2.424	10	10	FECE	
COc1ccc(O)c([C@@H](C)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1	2310412564	HXUFHDNUEJHRDN-DJSGYFEHSA-N	352.431	2.032	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)C1	2331230160	AYRVKSMEZHAPEF-RDBSUJKOSA-N	367.450	2.153	10	10	FECE	
O=C(N[C@@H]1CCCn2ncnc21)N(Cc1ccccc1O)C[C@@H]1CCCO1	176595641	YIDZJJVZEYHWIW-JKSUJKDBSA-N	371.441	2.209	10	10	FECE	
COc1ccc(O)c([C@H](C)NC[C@H](O)CN2CCc3ccccc3C2)c1	182346640	YYNRFSOYRMIIJY-YJBOKZPZSA-N	356.466	2.471	10	10	FECE	
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc2c(c1)C(=O)NC2=O	95471472	SWQYQAAUXGWTKJ-SXGWCWSVSA-N	364.336	2.428	10	10	FECE	
COCCNc1cncc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1	244451825	ZCERYDPWDYAYJO-UHFFFAOYSA-N	370.453	2.111	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC12CCOCC2	365238959	BHKQAVLKWSOCRG-UHFFFAOYSA-N	363.433	2.127	10	10	FECE	
CN1CCCc2cc(CNC(=O)[C@]3(N)[C@@H]4CCCO[C@H]4C3(C)C)ccc21	364200778	LAKWHVGKKVKTBH-HGHGUNKESA-N	357.498	2.218	10	10	FECE	
CC(C)(C)NC(=O)CCNC(=O)NCc1cc(Br)ccc1O	805061784	UZPBWQWNHZWKDW-UHFFFAOYSA-N	372.263	2.259	10	10	FECE	
CN1CCC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)C1=O	294779356	RQGMXPJNSWDSHT-MOPGFXCFSA-N	373.497	2.129	10	10	FECE	
CC(=O)C(=O)COC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-]	808545649	JCSHXBFKQGAGEQ-UHFFFAOYSA-N	357.318	2.489	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3CCc4nc[nH]c4C3)C2)cc1	823629425	UZBQUSLWKIERAO-HUUCEWRRSA-N	369.469	2.101	10	10	FECE	
CCN(OC)C(=O)CNC(=O)N(Cc1ccco1)Cc1ccccc1O	828154932	HMNVXHCAEZXYRD-UHFFFAOYSA-N	361.398	2.107	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCNC(=O)CC3)ccc21	665658642	VSAFZWMYGFOFNG-INIZCTEOSA-N	357.454	2.303	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1O	825124681	WAFBPIBWTWOIIQ-TVQRCGJNSA-N	350.293	2.054	10	10	FECE	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C12CCN(CC1)C2	901127564	LGJGQUKIEHEHMW-INIZCTEOSA-N	363.889	2.222	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)C34CCN(CC3)C4)cc2F)C[C@H](C)O1	900269033	IVPHWCQXQOEBQL-GJZGRUSLSA-N	361.461	2.151	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1	834165857	FQTJVPNUHYRCRR-DHIZRAEPSA-N	357.381	2.438	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCCc3cccnc32)cc1F	929800082	CBZGJTKBEMNVCW-INIZCTEOSA-N	370.428	2.097	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3nc[nH]c3C(F)(F)F)C2)cc1	855224005	JTUKODPFRAXFBE-JTQLQIEISA-N	354.332	2.446	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)Cc1coc(S(N)(=O)=O)c1	851732424	PWPZWXDWGYHNOZ-UHFFFAOYSA-N	351.472	2.404	10	10	FECE	
CCC/C(C)=C/C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	920290224	AKHVYWTXUKPWLD-FYWRMAATSA-N	350.484	2.284	10	10	FECE	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	858836101	RPLVXBOCHLOJFQ-DCXXXQMHSA-N	370.449	2.014	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H]4[C@H](CCN4C)C3)C2)cc1	868762575	QFNDLSYGWVXXIB-JTDSTZFVSA-N	358.486	2.010	10	10	FECE	
C[C@H](NS(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2)c1ccccc1O	867834304	LXRPAAPMVNJHJI-LBPRGKRZSA-N	372.446	2.267	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H]1CCC2(CCCC2)O1	1118403874	UWWBQWWFTSSSJE-GOSISDBHSA-N	373.497	2.285	10	10	FECE	
COc1ccc(CN2C[C@@H](C(=O)N3Cc4cccc(O)c4C3)CC2=O)cc1	871201722	ZRRVJFNNOWOGIJ-INIZCTEOSA-N	366.417	2.292	10	10	FECE	
COC(=O)C(C)(C)N1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	779191454	RFFOZGCAQLKORW-UHFFFAOYSA-N	371.821	2.023	10	10	FECE	
CCN(Cc1ccccc1)S(=O)(=O)Nc1ccc(O)cc1C(=O)O	776432803	FRJLHANCJQTCPR-UHFFFAOYSA-N	350.396	2.269	10	10	FECE	
C[C@@H](NC(=O)c1nccc2c(S(N)(=O)=O)cccc12)c1ccccc1O	1302530616	SRYIAXCQRCBLEC-LLVKDONJSA-N	371.418	2.079	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CC(C4CNC4)C3)ccc(N)c2C1	1886852795	CBXCOJPFWHZBPI-UHFFFAOYSA-N	358.486	2.218	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(-c2cnccn2)n1CCC(C)(C)O	1314750102	HXUOOCNDCKGNQC-UHFFFAOYSA-N	368.441	2.238	10	10	FECE	
CC(=O)N[C@@H](CC(=O)NCc1c(O)cccc1O)c1c(F)cccc1F	1178912165	QVCZWJZWPKYSFZ-AWEZNQCLSA-N	364.348	2.260	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(CN2CCCC2=O)n1[C@@H]1C[C@H]1CF	1298364422	AEWAONQKPPETDH-LSDHHAIUSA-N	373.432	2.273	10	10	FECE	
Cc1cc(N2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)nc(C(C)C)n1	1539293919	RQUVIDGKLRBNHW-UHFFFAOYSA-N	370.453	2.211	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)N[C@]23C[C@H]2COC3(C)C)N(C)C)cc1	1479535805	YXCFGOMRBHVLIU-RIFZZMRRSA-N	360.502	2.222	10	10	FECE	
COC(CNC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2)OC	1472405601	KKIFAGPFKZBOEJ-UHFFFAOYSA-N	359.470	2.143	10	10	FECE	
CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O	1632702035	UEGIHNWHYKDNCG-CIISACIHSA-N	355.818	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCOCC[C@@H]1C(=O)NCc1ccccc1O	2124289871	RRUYEFXCVDENAA-GJZGRUSLSA-N	364.442	2.328	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2124508166	NPABPXSFJUNTHW-BFHYXJOUSA-N	367.450	2.296	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2COC[C@]2(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2124539870	ABOUVMKCAWVSBI-OGHNNQOOSA-N	365.434	2.171	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](C)c3ccccc3O)nc12	1654534502	AOHDGNVHXPRWDI-NSHDSACASA-N	356.382	2.168	10	10	FECE	
CCOC(=O)CN(C)C(=O)CN1C[C@H](C(C)C)Cc2cc(OC)ccc21	1654793259	GWEHSPCJYBYXIZ-MRXNPFEDSA-N	362.470	2.351	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)c1	161485328	GOYUOJFBJQGYBK-STQMWFEESA-N	373.457	2.491	10	10	FECE	
CCN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)C(C(=O)OC)=C1C	6470241	CJJFIUXAKXLJGL-MDWZMJQESA-N	361.394	2.405	10	10	FECE	
CCOC(=O)C(C)(C)C(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C	1866177801	OTLVZQQZAYXOQV-MRXNPFEDSA-N	372.469	2.281	10	10	FECE	
CN(C)c1ccc(CNCCC(=O)NCc2ccc(C(=O)O)cc2)cc1	1857858922	NJBPLKRMTYVCSL-UHFFFAOYSA-N	355.438	2.247	10	10	FECE	
CN(Cc1ccc(N)cc1)C(=O)[C@](C)(NC(=O)OC(C)(C)C)C(C)(C)O	2136249499	GVYAEVMMGPCYOK-IBGZPJMESA-N	365.474	2.282	10	10	FECE	
COc1ccc(CNC23COC(CNC(=O)OC(C)(C)C)(C2)C3)c(O)c1	1922601397	QWBFQGNCFFHYCN-UHFFFAOYSA-N	364.442	2.317	10	10	FECE	
C[C@H](N)c1ccc(N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)c(Br)c1	400891477	LONJNVPWXQWIOP-DCAQKATOSA-N	361.305	2.481	10	10	FECE	
CN1CCc2cc([C@@H](O)c3cn(CCNC(=O)OC(C)(C)C)cn3)ccc21	2163063426	QQBFQORGSVVWMH-GOSISDBHSA-N	372.469	2.482	10	10	FECE	
C[C@H](N)c1ccc(N2CCC(S(C)(=O)=O)CC2)cc1Br	383388104	QSVFYOOHPHMEOS-JTQLQIEISA-N	361.305	2.482	10	10	FECE	
C[C@@H](NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C)c1cc(O)ccc1O	394439100	WQOCVLNTNKAERV-KGLIPLIRSA-N	365.474	2.300	10	10	FECE	
COC(=O)[C@@H](CCNCc1c(O)cccc1F)NC(=O)OC(C)(C)C	2042600487	ZWVKBQQVEQGDNP-CYBMUJFWSA-N	356.394	2.077	10	10	FECE	
CN(C)c1ccc([C@@H](O)c2cn(C)nc2I)cc1	2044716714	ALKSFDICSABHJW-GFCCVEGCSA-N	357.195	2.172	10	10	FECE	
CN[C@@H](CN(C)CCNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	2044752383	MFQXGRNHKKCRNV-KRWDZBQOSA-N	350.507	2.470	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](NCc2c(O)cccc2F)C1	2052720159	IUNWQNFDXHCGPB-WFASDCNBSA-N	354.422	2.239	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])CCCOC1	2060617412	NDKMHQKYUYYMJI-MLGOLLRUSA-N	353.423	2.362	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2COC[C@@]2(C(=O)NCCCCN=[N+]=[N-])C1	2060638868	BVDYYNQBCNVKDZ-WBMJQRKESA-N	353.423	2.077	10	10	FECE	
C[C@@H](NCc1cc(Br)cc(F)c1O)c1nnc(CO)s1	2192611709	RMTPQGDDHUMFKT-ZCFIWIBFSA-N	362.224	2.488	10	10	FECE	
O=C(NC[C@]12CC[C@@H]1CN(Cc1ccccc1)C2)c1cc(O)c(O)c(O)c1	2201252488	YNOVWYBUPSIAHY-IERDGZPVSA-N	368.433	2.445	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-])[C@H]1CCCO1	2218743909	HGOFDDRXUAMONV-XQHKEYJVSA-N	353.423	2.406	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2264503728	IYDUASQGADOEML-MGPQQGTHSA-N	367.450	2.296	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@]12CO[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)C2	2312805280	LQOPOMNMPOTVIR-OZVIIMIRSA-N	353.423	2.218	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCCC3CCN(C)CC3)CC2)cc1	171378456	ZCQNAQOIIVASKH-UHFFFAOYSA-N	360.502	2.259	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cccc(O)c2O)CC(F)(F)C1	1148218809	LXVPUMRMZTZBIS-SNVBAGLBSA-N	372.368	2.472	10	10	FECE	
C[C@H](NC[C@@H](c1cnn(C)c1)N(C)C)c1ccc(N2CCOCC2)cc1	129906601	QIRVFSQELLJRJN-JXFKEZNVSA-N	357.502	2.210	10	10	FECE	
CNC(=O)c1ccc(NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)nn1	74741842	DIYBUAJSQFBTMM-BETUJISGSA-N	373.432	2.201	10	10	FECE	
CC[C@@H](c1cc(Br)ccc1O)N(C)CCN1CCNCC1	71148611	IXUYSGFPZSBDNX-HNNXBMFYSA-N	356.308	2.443	10	10	FECE	
O=C1[C@H](NCc2cc3c(cc2O)OCO3)CCN1Cc1ccc(F)cc1	191758607	CTMOWCQWODEBAB-OAHLLOKOSA-N	358.369	2.151	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O	192215354	WAJKSBWJEMIVBF-KZJSRBBCSA-N	370.380	2.167	10	10	FECE	
Oc1c(Br)cccc1CN1CCN(Cc2ccon2)CC1	93561038	UWUIKEOHIUEFOD-UHFFFAOYSA-N	352.232	2.461	10	10	FECE	
Cc1ccc(CNC[C@@H](C2CC2)S(C)(=O)=O)c(O)c1Br	2380792224	GRSSSFVTKWBYBO-LBPRGKRZSA-N	362.289	2.376	10	10	FECE	
COc1ccc(N2CC[C@H](CNS(=O)(=O)N3CCC[C@@H](C)C3)C2)cc1	819889600	FQOFOKQVFLHBHC-HZPDHXFCSA-N	367.515	2.088	10	10	FECE	
COc1cc(O)c(CN[C@@H](C2CCOCC2)C2(CO)CCC2)cc1OC	822525780	MCLYZUSGZNCXNN-IBGZPJMESA-N	365.470	2.457	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)c1cc2c([nH]1)CCOC2	837643774	RJCWWSWBLMVUCX-UHFFFAOYSA-N	351.200	2.486	10	10	FECE	
CN1CCN(c2ccc(CN3C[C@H](C(=O)O)[C@@H](C(F)(F)F)C3)cc2)CC1	901966223	OSVNKEQCQKURGZ-HOTGVXAUSA-N	371.403	2.133	10	10	FECE	
CCCCO[C@@H](C)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	742916071	BIVZMEOXFPDJCM-KRWDZBQOSA-N	363.502	2.139	10	10	FECE	
COc1ccc(N2CCN(Cn3cc(-c4ccncn4)cn3)CC2)cc1	848473540	HXSPLZDRCPVVCH-UHFFFAOYSA-N	350.426	2.128	10	10	FECE	
CCN(CC(=O)Nc1cccnn1)Cc1cc(Br)ccc1O	929755220	KVTRNEJHOUKLEJ-UHFFFAOYSA-N	365.231	2.405	10	10	FECE	
C[C@@H](N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Cl)cc1O	858489702	JZLAXAOWCAHWMF-DGCLKSJQSA-N	358.833	2.413	10	10	FECE	
O=C1OC[C@@]2(CNCc3cc(-c4ccccc4)ccc3O)COCCN12	865768669	OCOYWPIUFVMLEP-HXUWFJFHSA-N	354.406	2.370	10	10	FECE	
CC(C)OC[C@H](O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O	769085952	VKRNGFUQQVUGQY-ZDUSSCGKSA-N	368.385	2.405	10	10	FECE	
Cn1nc(C2CCOCC2)cc1C(=O)NCc1ccc2cccnc2c1O	1123903246	HPVREMPOYBZTOD-UHFFFAOYSA-N	366.421	2.498	10	10	FECE	
C[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@H]1COc2ccccc21	785422607	OWLJATZVKDYNDP-KBXCAEBGSA-N	367.449	2.050	10	10	FECE	
Cc1cc(C(=O)NCc2nc([C@@H]3CCOC3)n[nH]2)c(C)n1-c1ccccn1	898854545	NGNNIERZBJZARS-CQSZACIVSA-N	366.425	2.041	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CN[C@@H]3CCCc4n[nH]cc43)cc2)C1	796700139	CPZUGPLOTYGSJI-MAUKXSAKSA-N	353.470	2.279	10	10	FECE	
Cc1nc([C@@H]2COCCN2C(=O)c2cc3cc(O)c(O)cc3s2)no1	1154121191	IYXZMUZMJWNYQR-JTQLQIEISA-N	361.379	2.218	10	10	FECE	
COc1cccc(CNC[C@H]2COCCN(C(=O)OC(C)(C)C)C2)c1O	1964582555	IKCBLGUAWWUFKH-CQSZACIVSA-N	366.458	2.374	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CC[C@@H](O)[C@@H](O)C3)c2C)cc1	1349554287	JFBPEGJVRPBCSR-KYNGSXCRSA-N	358.438	2.107	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2cccc(O)c2O)C1	1520510498	YHPLPTPJIZSXEQ-ORAYPTAESA-N	362.426	2.361	10	10	FECE	
Cc1nc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c2ccccn12	1536523158	AGEFTCBUTKINPM-UHFFFAOYSA-N	363.465	2.325	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nn1cnc2sc3c(c2c1=O)CCCC3	1539143258	XDEAEEBXHFELTH-UHFFFAOYSA-N	371.418	2.061	10	10	FECE	
CCCCNC(=O)c1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1	1540815292	JRELUPAYSICQAC-UHFFFAOYSA-N	356.422	2.487	10	10	FECE	
CCOCc1nnc(N2CCOC[C@H]2C)n1Cc1ccc(N(C)C)cc1C	1548194458	OLZOEPSBQLRYFP-MRXNPFEDSA-N	373.501	2.462	10	10	FECE	
COc1ccc(C2=NO[C@@H](CNC(=O)Cc3ccc(O)c(O)c3)C2)cc1F	1556328601	IZEUBZBIPIEMEK-CYBMUJFWSA-N	374.368	2.097	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCc2nccn2C1	1726357592	NKDQGQOVTJANKW-OAHLLOKOSA-N	352.442	2.388	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C1CC(O)(CNC(=O)OC(C)(C)C)C1	2124361711	YYMNEXHZZBLJRT-UHFFFAOYSA-N	364.442	2.016	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)[C@H](NC(=O)OC(C)(C)C)C1COC1	2124323179	KPCLUMZTZFJTSN-BLLLJJGKSA-N	364.442	2.451	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN3CCC=C(Cl)C3)CC2)cc1	1646548924	TUQRMHRUBDVLPN-SFHVURJKSA-N	365.905	2.007	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@H]1Cc2nc[nH]c2CN1C(=O)OC(C)(C)C	2124514961	WWWJWOJTOWSOKP-ZDUSSCGKSA-N	363.422	2.230	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCCN(CC(=O)N2CCC[C@H](N=[N+]=[N-])C2)C1	2124505734	PCEKGKDLSLNRRL-KBPBESRZSA-N	366.466	2.277	10	10	FECE	
CCN(C)c1ccc([C@@H](C)NCCS(=O)(=O)N2CCSCC2)cc1	155752454	WIJTUIDXAWBUNF-OAHLLOKOSA-N	371.572	2.172	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1	2132413826	QPBZTINJNYZICM-ZYHUDNBSSA-N	366.414	2.179	10	10	FECE	
C[C@H](CO)N(Cc1ccccc1)C(=O)c1ccn(-c2ccc(N)cc2)n1	1914359112	WEFGPAOVCNFMQX-OAHLLOKOSA-N	350.422	2.478	10	10	FECE	
C[C@@H]1Cn2[nH]c(=NCc3cccc(O)c3O)cc2CN1C(=O)OC(C)(C)C	2149120255	DIRXAAASHCJATN-GFCCVEGCSA-N	374.441	2.468	10	10	FECE	
CN(C)c1ccc(CN[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2O)cc1	1997765272	GUVQJEQQVCOBTL-UXHICEINSA-N	369.465	2.224	10	10	FECE	
CNCc1ccc(N2CCC[C@H](S(C)(=O)=O)C2)cc1Br	394286683	KRWFCTALPCMSMD-ZDUSSCGKSA-N	361.305	2.182	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNCc1cccc(F)c1O	394399893	HRWRGOKSRJPIPU-CQSZACIVSA-N	353.438	2.172	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)[C@H](CNCc2c(O)cccc2F)C1	2042600612	BIGKEENBKKJVOC-CYBMUJFWSA-N	353.438	2.172	10	10	FECE	
COCC[C@]1(C(=O)N2CC(N=[N+]=[N-])C2)CCCN1C(=O)OC(C)(C)C	2082231691	RFPYHWJBJSTXEM-INIZCTEOSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(NC(=O)COc2ccc(N)cc2)C1	2106266455	VFIPILUWPJIOKD-ORAYPTAESA-N	361.442	2.163	10	10	FECE	
CN1CCc2cc([C@@H](N)c3cn(C)nc3I)ccc21	2106851659	WTZJFUMNGPUPOP-CYBMUJFWSA-N	368.222	2.065	10	10	FECE	
CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1Nc1c(N)cccc1C(=O)O	2108866183	RXALADSJTXHDJF-NFAWXSAZSA-N	365.430	2.450	10	10	FECE	
COc1ccc(N2C[C@@H]3[C@H](C2)CN(C(=O)OC(C)(C)C)[C@H]3CO)c(F)c1	2227317245	UZUREEXQYSNNBJ-MRRJBJDNSA-N	366.433	2.498	10	10	FECE	
C[C@H](NC(=O)[C@@H]1CC[C@H](O)CN1C(=O)OC(C)(C)C)c1ccccc1O	2264610642	XUQWDAKQDCFZAE-YDHLFZDLSA-N	364.442	2.330	10	10	FECE	
CC(=O)NCCN1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S	2323719770	CFAVAWJBBLTFKG-UHFFFAOYSA-N	356.856	2.383	10	10	FECE	
C[C@@H](O)[C@@H](C(=O)O)N1C(=O)C(=Cc2ccccc2Cl)SC1=S	2323823653	CRTAVEAAMOKAPT-HQJQHLMTSA-N	357.840	2.375	10	10	FECE	
CN1CCCc2cc(CNC(=O)NCc3ccccc3OCCO)ccc21	119885113	VWUFBIBHKNXHKN-UHFFFAOYSA-N	369.465	2.440	10	10	FECE	
Cn1cc(/C=C/C(=O)N2CC(C)(C)c3c(Cl)cccc32)c(=O)n(C)c1=O	124000717	LWVTZNYWLJNAHG-CMDGGOBGSA-N	373.840	2.075	10	10	FECE	
O=S(=O)(c1ccccc1)N1CC[C@H](NCc2cc(F)ccc2O)C1	377863314	FIICMCQCGWYHRF-HNNXBMFYSA-N	350.415	2.084	10	10	FECE	
Cc1cc(CC(=O)N2CCN3CCOC[C@@H]3C2)c(C)n1-c1ccccc1	832131118	JIPHQFARMYBZKU-FQEVSTJZSA-N	353.466	2.180	10	10	FECE	
CCCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)N(C)C	586234069	KWYKWTWURYDHNH-UHFFFAOYSA-N	372.446	2.485	10	10	FECE	
CC[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@@H](O)C(F)F	837882585	PUBMRVDEOREFOC-VBNZEHGJSA-N	371.428	2.288	10	10	FECE	
COc1cc(Br)cc([C@H](C)NC[C@@H]2CN(C)CCN2C)c1O	848528206	KJWGFHLBPQAQEZ-WCQYABFASA-N	372.307	2.060	10	10	FECE	
C[C@@H](NC(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F)c1ccccc1O	913763578	KPCOPSJLMSFRIF-RGYTYGDFSA-N	369.339	2.380	10	10	FECE	
Cc1cc(C(=O)N[C@@H](C[C@H]2CCCOC2)C(=O)O)c(C)n1-c1ccccn1	910237154	SUVPAPVWRRZVCJ-WBVHZDCISA-N	371.437	2.489	10	10	FECE	
Cc1cc(CN2CCO[C@]3(CCS(=O)(=O)C3)C2)c(O)c(C(C)(C)C)c1	842632314	JRFJSYMEWNFGJJ-LJQANCHMSA-N	367.511	2.388	10	10	FECE	
COC(=O)c1cnc(CNC(=O)NCCCSc2nccs2)s1	921447090	XSYYMAQEYPRORP-UHFFFAOYSA-N	372.497	2.368	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1onc2c1CCCC2	854987915	MEZPLOSHSNCMRT-UHFFFAOYSA-N	358.394	2.465	10	10	FECE	
CO[C@H](CNC(=O)NCc1cc(Br)ccc1O)[C@H]1CCOC1	852436697	MDWGAAVCMREGJC-IINYFYTJSA-N	373.247	2.005	10	10	FECE	
O=S1(=O)CCN(c2ccc(CNC3CC(CF)(CF)C3)cc2)CC1	850436932	XCCZGBGQFVZVKS-UHFFFAOYSA-N	358.454	2.099	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cc(OC(F)F)n(C)n3)C2)cc1	855226044	NBZSCICWLSIOCK-NSHDSACASA-N	366.368	2.039	10	10	FECE	
CN1CCCc2cc(CNC(=O)N[C@@H]3CCCCC[C@H]3C(N)=O)ccc21	757668152	VSEYRSGWAMJHKF-IAGOWNOFSA-N	358.486	2.302	10	10	FECE	
CCOC(=O)C[C@@H](O)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C	863162117	UFATUJODWBVXNL-GOSISDBHSA-N	358.438	2.333	10	10	FECE	
CCO[C@@H](C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C	860372088	ZTSDHMOFXKWQBK-GOSISDBHSA-N	350.459	2.315	10	10	FECE	
CC[C@H](OC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)C(=O)OC	762760164	CZDLWVKZORYSKW-AWEZNQCLSA-N	367.357	2.153	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)[C@@H](C)c3ccncc3)CC2)cc1	865034444	RUIXUIHXGNOZML-KRWDZBQOSA-N	368.481	2.132	10	10	FECE	
CCOC(=O)[C@H]1CSCCN1Cc1ccc(N2CCOCC2)cc1	768227798	JODKWMSTQQEOLY-QGZVFWFLSA-N	350.484	2.004	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2nccn2c1	774126025	JEFQHZHNOITXRL-UHFFFAOYSA-N	365.437	2.388	10	10	FECE	
C[C@@H](NC(=O)Cc1nn(C)c(=O)c2ccccc12)c1ccc(N(C)C)cc1	772997031	UWHFGKAPMKLVME-CQSZACIVSA-N	364.449	2.419	10	10	FECE	
Cc1cc(CCNC(=O)N[C@@H](C)c2nnnn2C)c(C)n1-c1ccccc1	1123641671	NTWWPVXIHAQUSO-AWEZNQCLSA-N	367.457	2.221	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)NCC1(CN=[N+]=[N-])CC1)[C@H](O)C(C)(C)C	1878001338	NRDFEFIUIVDAOF-RYUDHWBXSA-N	369.466	2.493	10	10	FECE	
COC(=O)c1nc(Cl)ccc1S(=O)(=O)Nc1ccc(O)c(OC)c1	797819766	RNBYIIIPOLQRKP-UHFFFAOYSA-N	372.786	2.037	10	10	FECE	
CN(Cc1ccccc1O)C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1	1149872130	PLOPNSMHBRTNGB-UHFFFAOYSA-N	367.365	2.212	10	10	FECE	
C[C@H]1Cc2cc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)ccc2O1	1179509510	DFDLKDWCGPQTHO-JTQLQIEISA-N	362.407	2.339	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1C[C@H]2[C@@H](C1)C2(F)F	1350388247	WOPNBIRKNFVKQF-AYGBPOKTSA-N	365.424	2.491	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)NCc2cccc(O)c2O)C1	1528771724	VVVLWIPPCAUYJA-SFHVURJKSA-N	350.415	2.361	10	10	FECE	
O=C(CCCNC(=O)c1cccnc1)NCc1ccc2cccnc2c1O	1469250920	VBOLTTMLLQPGMN-UHFFFAOYSA-N	364.405	2.162	10	10	FECE	
CN(C(=O)Cn1c2c(c3cc(F)ccc31)CCCC2)[C@@H]1CC[C@H](O)[C@@H]1O	1615075852	KIJMKSLQSOTGFS-WSTZPKSXSA-N	360.429	2.002	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)NCc2nc(C(N)=O)co2)c1C	1629085086	ZMUCDUBOHGEICD-UHFFFAOYSA-N	352.394	2.419	10	10	FECE	
C[C@H](NC(=O)c1nc(S(C)(=O)=O)ccc1Cl)c1ccccc1O	1557967622	HWORFCIKJPNZRX-VIFPVBQESA-N	354.815	2.335	10	10	FECE	
O=C(Cc1cccnc1Br)NCCc1ccc(O)c(O)c1	1622753469	XPAPXHIQZMMKNJ-UHFFFAOYSA-N	351.200	2.157	10	10	FECE	
Cc1ccc(O)c(CNC(=O)c2cnn3cc(Br)cnc23)c1	1629740942	UJEMURDIPYIUFJ-UHFFFAOYSA-N	361.199	2.436	10	10	FECE	
Cc1cc(N(C)Cc2ccc(N3CCCC3)cc2)nc(S(C)(=O)=O)n1	1639224386	QKXYFZTWASBHJX-UHFFFAOYSA-N	360.483	2.425	10	10	FECE	
Cc1ccc(O)c(CNC(=O)c2ccc(CN3CCN(C)CC3)s2)c1	1640800987	YXXNLCAPIXPHSD-UHFFFAOYSA-N	359.495	2.440	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)c2cnc3ccccn23)N(C)C)cc1	1648478197	UELLYWHKJYUQGZ-QGZVFWFLSA-N	351.454	2.433	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)c3cccn4nnnc34)cc2)CC1	1585545397	QZHOWIVSGWSFDO-UHFFFAOYSA-N	350.426	2.291	10	10	FECE	
O=C(c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)N1Cc2cccc(O)c2C1	1650675080	RUWVXDBHWIUDDS-UHFFFAOYSA-N	365.349	2.096	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNC(=O)c3ccc(O)c(O)c3)[C@H]2C1	2138562002	WFMPVMSRACPWGM-RDBSUJKOSA-N	362.426	2.331	10	10	FECE	
COc1cc(Cl)cc(CNC2(CO)CN(C(=O)OC(C)(C)C)C2)c1O	1918542554	HRFABGKUKPNIQW-UHFFFAOYSA-N	372.849	2.126	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(O)cc2O)[C@H](CO)CC1	1921715927	MEPWAJNGOZSPMR-HOCLYGCPSA-N	366.458	2.195	10	10	FECE	
C[C@@H]1Cn2[nH]c(=NCc3ccc(O)cc3O)cc2CN1C(=O)OC(C)(C)C	2149122110	NPIBUXVXUPOMJY-GFCCVEGCSA-N	374.441	2.468	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@H](N)C(F)(F)F	1952352999	KTPGEVRAYMYXHN-CABZTGNLSA-N	350.337	2.423	10	10	FECE	
CC(C)(C)OC(=O)NCCONCc1ccc(N2CCOCC2)cc1	2029612444	KHWASKQQFMSVKH-UHFFFAOYSA-N	351.447	2.069	10	10	FECE	
C[C@@H]1N[C@H](c2cc(Br)cc(Br)c2O)NC1=O	309770842	KKGPKBNLZIXCCY-IGJIYHIXSA-N	350.010	2.024	10	10	FECE	
CNCc1ccc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc1Br	2170654887	ZTOSBAUXEPNOAU-WDEREUQCSA-N	363.321	2.426	10	10	FECE	
CC(C)(C)OC(=O)NC1(CNCc2ccc(O)cc2O)CCOCC1	696989629	OCAJNBBBQUPBNK-UHFFFAOYSA-N	352.431	2.261	10	10	FECE	
C[C@H](N)c1ccc(N(CCS(C)(=O)=O)C2CC2)cc1Br	2170161057	HEGLCQRUQMDWCK-JTQLQIEISA-N	361.305	2.482	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C(=O)C(=O)C[C@H]3C[C@H](N)C3)[C@@H](C2)C1	2049780410	JDKJWFATHNGBNW-YTFOTSKYSA-N	350.459	2.145	10	10	FECE	
CC(C)(C)OC(=O)NCc1nc(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)co1	2060640686	XRVBILGNTVOJSU-JTQLQIEISA-N	350.379	2.472	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2060617627	PEGJJSISWYQYCR-RWMBFGLXSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCCCN=[N+]=[N-])OCC12CC2	2064042022	IUQDZPXRIIRSDF-GFCCVEGCSA-N	353.423	2.362	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C12CCC2	2070115092	NXNXRCGWVZBJNQ-MGPQQGTHSA-N	350.459	2.432	10	10	FECE	
COC(=O)[C@H](CCN[C@@H](C)c1c(O)cccc1O)NC(=O)OC(C)(C)C	2088543453	RJXJMPFZWSJALL-RYUDHWBXSA-N	368.430	2.205	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-]	2218745347	MENLOMNZXNJVQS-WUHRBBMRSA-N	353.423	2.216	10	10	FECE	
CC(C)(C)OC(=O)NCC(C)(C)OCCNC(=O)c1ccc(O)c(O)c1	2278329514	ATLUKWOQAZEHCL-UHFFFAOYSA-N	368.430	2.148	10	10	FECE	
Cn1cc(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2cccnc21	65156005	ORZNQPCUIUOJEB-UHFFFAOYSA-N	364.449	2.269	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCS(=O)(=O)C(C)(C)C2)cc1	176486232	ZAHSEMKYDRKBBU-UHFFFAOYSA-N	367.515	2.251	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CCO[C@H](c3nc(C)n[nH]3)C2)c1O	177349962	UCBYDDPYVKUMKP-AWEZNQCLSA-N	350.806	2.248	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3cccc(CO)c3)CC2)cc1	179176472	OHNBIYLHEWMIPJ-MRXNPFEDSA-N	370.449	2.304	10	10	FECE	
CC(=O)c1cc(F)cc(CN[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1O	181564926	AQVQGZVSDIHYIR-JTQLQIEISA-N	366.414	2.232	10	10	FECE	
Cn1cc([C@H]2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)C2)cn1	128022887	XXHAWGVWRNXANZ-KRWDZBQOSA-N	351.454	2.495	10	10	FECE	
CCC[C@]1(C)C(=O)NCCN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1	189831249	GDAAOXXLMSUSDE-VHTFYLNKSA-N	371.481	2.054	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(CN3CCOCC3)cn2)c1	810347458	DOWMYQQJROUZKH-CQSZACIVSA-N	371.437	2.119	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](O)C(Cl)(Cl)Cl	907275916	XRRYHTGEHAUVBO-HQJQHLMTSA-N	356.633	2.266	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC[C@H]2CCCCN12	900269303	MQSTXSUBBMWDIG-APWZRJJASA-N	361.461	2.295	10	10	FECE	
C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H](O)C(C)(C)O)cc2Cl)C1	908012048	FXYRMQLRANPFOR-BLLLJJGKSA-N	354.878	2.324	10	10	FECE	
CCn1ccnc1CNC(=O)N1CCCN(c2ccc(OC)cc2)CC1	836571240	BOBZOYFLIDPAKR-UHFFFAOYSA-N	357.458	2.334	10	10	FECE	
COc1cc(Br)cc([C@H](C)N[C@H]2CCCN(C)C2=O)c1O	848531257	MWSRFCOYSYBMBV-CABZTGNLSA-N	357.248	2.435	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3CO[C@@H](C4CC4)C3)CC2)cc1F	858911799	QQDVXIOJJLGIOV-KBXCAEBGSA-N	363.433	2.233	10	10	FECE	
O=C(CN1CC[C@H](c2ccccc2)NC1=O)NCc1c(O)cccc1F	928708259	BOFXEMXTZGQWAC-MRXNPFEDSA-N	357.385	2.304	10	10	FECE	
COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)ccc1F	753521745	LYMAKUAWKNOWMB-UHFFFAOYSA-N	370.314	2.027	10	10	FECE	
COc1ccc([C@@H]2CCNC[C@@H]2NC(=O)NCc2ccccc2O)cc1	851673898	VFDTVFBSLROBTF-ROUUACIJSA-N	355.438	2.346	10	10	FECE	
NC(=O)c1cc(F)ccc1N1CCN(Cc2cc3c(cc2O)CCC3)CC1	857238158	GHETZQRCYRIKCL-UHFFFAOYSA-N	369.440	2.441	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)NCC[S@@](=O)CC(F)(F)F	852462110	LXPKCHPJDOQCES-XMMPIXPASA-N	365.421	2.171	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)N[C@@H]1[C@H]2C[C@@H]3CO[C@H]1[C@H]3C2	868909185	FPYCUVJSZYABSH-YXBDIRAFSA-N	367.243	2.377	10	10	FECE	
CC[C@@H](NC(=O)C(=O)NCCCSc1nccs1)[C@H]1CCCOC1	897730830	SVKOYEIVAIEINN-QWHCGFSZSA-N	371.528	2.063	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@H]([C@@H]3CCCO3)C2)cc1	897488578	GLANIESJRHGIDV-MJGOQNOKSA-N	373.497	2.177	10	10	FECE	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NCCc3nc(=O)o[nH]3)c2C)c1	790078062	AEEBFHAVHGZXJQ-UHFFFAOYSA-N	354.410	2.360	10	10	FECE	
Oc1cc2c(cc1CN1CCO[C@@H](COc3ccccc3)C1)[C@@H](O)CO2	790467608	QGDDVAYRPJINFW-APWZRJJASA-N	357.406	2.098	10	10	FECE	
N=C(O)OC[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(O)c(O)c1	1142251941	OYCZUNRHVSXVQB-LOWQCSRCSA-N	356.378	2.348	10	10	FECE	
O=C(NCc1c(O)cccc1F)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1	1156170853	VDIUBMRZFKWQGR-CQSZACIVSA-N	374.387	2.378	10	10	FECE	
CC(C)[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C1CC1	1327935102	USCQLZJABBFJFW-KXBFYZLASA-N	373.497	2.251	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2C[C@H](O)C3(CC3)C2)cc1	1348288002	YBHPWQWHBDUUPD-IBGZPJMESA-N	352.434	2.432	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNCc2cc(F)cc(F)c2O)C[C@@H]1O	2116187934	JFLYDJLEQDAKDN-KMUNFCNLSA-N	372.412	2.424	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc(F)ccc3N)CC2)c(OC)c1	1454465956	GIVFZENLUAQQCU-UHFFFAOYSA-N	359.401	2.388	10	10	FECE	
CN(C)[C@@H]1CCC[C@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	1464310652	XRRSENIROHQBAO-DLBZAZTESA-N	363.477	2.399	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CCC2)n1CCNC(=O)C1CC1	1554175800	WYJIGWBSGXULHY-UHFFFAOYSA-N	369.469	2.414	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCn2ncc(Br)c2C1	1632944164	QOTQXQUEHRIFNJ-RQOWECAXSA-N	364.199	2.112	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H]1CC(=O)N(CC2CC2)C1	1683426671	ZOKYDBARCIHZSE-QAPCUYQASA-N	372.513	2.302	10	10	FECE	
Nc1cc2c(cc1N(Cc1ccccc1)[C@@H](CO)C1CC1)NC(=O)CO2	1915170190	PAYYIDYZUSCNII-SFHVURJKSA-N	353.422	2.377	10	10	FECE	
C[C@H]1C[C@H](NCc2cc(Br)cc(F)c2O)CCS1(=O)=O	2143955305	GXCARAMQPSNFLZ-GZMMTYOYSA-N	366.252	2.349	10	10	FECE	
CCNCc1ccc(N(C)CCS(=O)(=O)CC)c(Br)c1	2170444946	WHVHKKDQPPAPLP-UHFFFAOYSA-N	363.321	2.430	10	10	FECE	
CCN(c1ccc(CN)c(Br)c1F)[C@@H]1CCS(=O)(=O)C1	387316564	BTEABQQKMULXQQ-SNVBAGLBSA-N	365.268	2.060	10	10	FECE	
O=C(NC1[C@H]2CC[C@H]1CN(Cc1ccccc1)C2)c1cc(O)c(O)c(O)c1	2188914024	XJHUNXNZAGEBNY-GJZGRUSLSA-N	368.433	2.444	10	10	FECE	
C[C@@H](CN(C)[C@H](C)C(=O)Nc1ccc(N)cc1)NC(=O)OC(C)(C)C	2044598448	RZSOXIGTLZCBLL-QWHCGFSZSA-N	350.463	2.441	10	10	FECE	
C[C@@H](CCN(C)C(=O)OC(C)(C)C)NC(=O)COc1ccc(N)cc1	2049139013	WWIZHACNRVOECG-ZDUSSCGKSA-N	351.447	2.409	10	10	FECE	
COc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)cc(OC)c1OC	15013938	GKOADWVCOZLKFN-JYRVWZFOSA-N	374.393	2.117	10	10	FECE	
C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc(O)c(O)c1	2054401658	VNJVXMPFVKLWBG-VXGBXAGGSA-N	350.415	2.473	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@H](Cc1ncns1)NC(=O)OC(C)(C)C	2060639818	MEBRDIISQVLBBI-JTQLQIEISA-N	369.451	2.133	10	10	FECE	
C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060636516	YRYNWQWKJZWIQQ-UPJWGTAASA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(CNCc3cccc(O)c3O)(CO1)C2	2103308297	XEMZWSVZNPUKTB-UHFFFAOYSA-N	364.442	2.261	10	10	FECE	
CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C[C@H](O)CC(=O)O	2106421132	PSTIEUNQIDMXEO-OAHLLOKOSA-N	364.442	2.300	10	10	FECE	
CCN1CCc2cc([C@@H](N)[C@H](O)C3CN(C(=O)OC(C)(C)C)C3)ccc21	2106859629	LKVUBOZFNIGZEN-QZTJIDSGSA-N	361.486	2.297	10	10	FECE	
CN(C(=O)CN1C[C@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1)c1ccc(N)cc1	2288268229	ZVYCTOBJFCVLEH-JLTOFOAXSA-N	374.485	2.078	10	10	FECE	
CON(CCC(=O)N1CCc2cc(O)c(O)cc2C1)C(=O)OC(C)(C)C	2341200154	ZIIYQPVWQAXRBZ-UHFFFAOYSA-N	366.414	2.171	10	10	FECE	
c1cc(N2CCOCC2)ccc1CNCCOc1ccc2c(c1)OCO2	69833412	MJXYUCPSUUNSGH-UHFFFAOYSA-N	356.422	2.421	10	10	FECE	
Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1c(C)nn(C)c1Cl	115592662	QLUFNOOZAKRKSL-UHFFFAOYSA-N	356.879	2.235	10	10	FECE	
Cc1nnc2ccc(N3CCN(Cc4cc(Cl)ccc4O)CC3)nn12	93272932	HEUSWRRCVBIBJW-UHFFFAOYSA-N	358.833	2.114	10	10	FECE	
CN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CCN(c2cnccn2)CC1	366079534	UOAPSWUKSRXCPQ-HWKANZROSA-N	354.410	2.028	10	10	FECE	
COc1cc(O)c(CNC[C@H]2CCC3(CCOCC3)[C@H]2O)cc1OC	282845182	DAKBVFQNZVSZQP-ACJLOTCBSA-N	351.443	2.067	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)C1(S(C)(=O)=O)CC1	807481442	KXBQAWOJDSZTAF-CQSZACIVSA-N	367.515	2.250	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1	2163041168	DQSHFHHVLCDUPN-RBSFLKMASA-N	374.485	2.395	10	10	FECE	
C[C@@H](N[C@@H]1CCC(=O)N(C)C1=O)c1cc(Br)cc(F)c1O	818362046	OSNLOVNVMBSFOE-RDDDGLTNSA-N	359.195	2.092	10	10	FECE	
Cc1nc(NC(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)n[nH]1	573168122	SKTUARSKAJSRLN-UHFFFAOYSA-N	352.442	2.473	10	10	FECE	
Cc1cc(C(=O)NC2(c3nn[nH]n3)CCCC2)c(C)n1-c1ccccn1	735821364	BCWHGCUIAIAWLE-UHFFFAOYSA-N	351.414	2.202	10	10	FECE	
CC(C)N(C[C@@H](C)O)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	838746901	LSOHNHJTEQENQP-CYBMUJFWSA-N	371.428	2.102	10	10	FECE	
Cc1cc(CN2CCN(c3nccn(C)c3=O)CC2)c(O)c(C(C)(C)C)c1	744440088	GXGDCESSQAJEON-UHFFFAOYSA-N	370.497	2.414	10	10	FECE	
C[C@H](NC(=O)N[C@@](C)(CCF)C(=O)O)c1ccc(N2CCOCC2)cc1	849236232	DKOAPAIVBZDNHJ-UGSOOPFHSA-N	367.421	2.086	10	10	FECE	
O=C(O)c1cnn2c(O)cc(CN3CC[C@H](c4c(F)cccc4F)C3)nc12	846253247	GGAQQSRBBVIGMT-JTQLQIEISA-N	374.347	2.401	10	10	FECE	
C[C@H]1CN(c2ccccc2NC(=O)C(=O)Nc2ccc(N)cc2)C[C@H](C)O1	841149256	FFKGQMQUCYNTJP-KBPBESRZSA-N	368.437	2.460	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@](C)(O)c3ccco3)C2)cc1	852454488	PDVRCVFTNDRYEB-LIRRHRJNSA-N	359.426	2.074	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H](Cn2ccnn2)C1	853412110	TUVBKBQVMSZSSW-KRWDZBQOSA-N	354.458	2.110	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cnc4c(c3)c(C)nn4C)C2)cc1	855230941	GRXPPMVTIVUNHP-HNNXBMFYSA-N	365.437	2.294	10	10	FECE	
COC(=O)C(C)(C)CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	852323503	YYBCBKSOVWPRGD-AWEZNQCLSA-N	363.458	2.162	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)c3ccccc3OC)C2)cc1	855228227	XXDBOKYGVSKVQL-AWEZNQCLSA-N	354.406	2.282	10	10	FECE	
COc1ccc(O)c(CNC(=O)NCc2ccc(CNC(C)=O)cc2)c1	853736426	ASFIIQWMDCYIRT-UHFFFAOYSA-N	357.410	2.036	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)N(C)CC(F)(F)F)C2)cc1	855224961	MEQWBSNZLZBORS-CHWSQXEVSA-N	359.392	2.273	10	10	FECE	
COCCOc1cc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)ccn1	855225019	HQGVSTMZOUAUQZ-INIZCTEOSA-N	371.437	2.124	10	10	FECE	
O=S1(=O)CCN(Cc2ccc(N3CCOCC3)cc2)[C@H]2CCCC[C@@H]21	769415364	YZGBXQXEYMKNKH-OALUTQOASA-N	364.511	2.065	10	10	FECE	
COc1ccc(O)c(CNS(=O)(=O)c2ccc3ncsc3c2)c1	772724142	CYJVIHRGYFFHMO-UHFFFAOYSA-N	350.421	2.489	10	10	FECE	
C[C@@H]1CO[C@H](C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1	888290040	WIXWCGHRVOZUBP-LWGWVAHUSA-N	350.434	2.481	10	10	FECE	
C[C@H](NC[C@@]1(O)[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41)c1cc([N+](=O)[O-])ccc1O	786956839	FGHAFXNBBLKDTN-HCAYHJKKSA-N	356.422	2.460	10	10	FECE	
COc1ccc(Br)c(CN(C)CC(F)(F)C(=O)O)c1O	2295337645	MQGKDKRPCTZKLR-UHFFFAOYSA-N	354.147	2.315	10	10	FECE	
Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1C[C@@H]1COCCO1	1290721304	VISQFBSTMNXCGV-LJQANCHMSA-N	371.485	2.239	10	10	FECE	
COCCn1cc(C(=O)NCc2c(O)ccc3ccccc23)ccc1=O	1456307694	COBUKZHPGSPWQA-UHFFFAOYSA-N	352.390	2.284	10	10	FECE	
O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCc1cccc(O)c1O	1471642875	AUVJLVQXHIODAX-UHFFFAOYSA-N	362.769	2.366	10	10	FECE	
C[C@@H]1C[C@H]1n1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1O	1612703699	INQASEVKVOLZAX-UKRRQHHQSA-N	355.442	2.437	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CN1[C@@H](C)CC[C@@H]1C	1546151982	NYDZAXCQEGCJMS-STQMWFEESA-N	368.861	2.420	10	10	FECE	
CCOC(=O)[C@H](NC(=O)c1cccc(O)c1O)c1ccc(OC)c(F)c1	1625457584	UDFRRFPLEAFNFH-OAHLLOKOSA-N	363.341	2.280	10	10	FECE	
NC(=O)c1cn(CC(=O)NCc2ccc3cccnc3c2O)c2ccccc12	1639621817	VDHVKPGHRWZISC-UHFFFAOYSA-N	374.400	2.310	10	10	FECE	
CCN1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)[C@@H](C)C1	1638923534	VQKONVBQAXLGNO-LPHOPBHVSA-N	361.534	2.091	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H](CO)CN1CCCC1	1638122397	SSFGXNKPNDGXKC-GOSISDBHSA-N	369.465	2.093	10	10	FECE	
C[C@@H](CCN(C)C)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	1630718766	LJXKVDYPQKHSSN-SFHVURJKSA-N	372.557	2.423	10	10	FECE	
CC(C)(C)OC(=O)NCC1CN(CC(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C1	2124504751	CLAQHTVROBSIGQ-CQSZACIVSA-N	366.466	2.134	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CC[C@H](CN=[N+]=[N-])C2)CC1	2124541070	OHXMTZXFFWIGDF-CYBMUJFWSA-N	367.450	2.297	10	10	FECE	
CCOC(=O)CN1C(=O)/C(=C\c2ccc(OC)cc2OC)SC1=S	6076280	CXADJVABBNQDDP-NTUHNPAUSA-N	367.448	2.468	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)c1cccc(S(=O)(=O)C(F)F)c1	1595596057	PIEQANZFNIVFRQ-UHFFFAOYSA-N	357.334	2.024	10	10	FECE	
COc1cccc(OCC(=O)N[C@H]2CCCN(Cc3ccc(N)cc3)C2)c1	586059240	IWYROLXKFFGCKI-SFHVURJKSA-N	369.465	2.437	10	10	FECE	
CCN[C@H](c1ccccc1O)[C@@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	2136008494	JAZAADZNEZXSCM-BBWFWOEESA-N	366.458	2.040	10	10	FECE	
COc1cccc(N(C)C(=O)C2=C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c1	2136284302	CXJWUPSVCMLRCI-HZPDHXFCSA-N	362.426	2.242	10	10	FECE	
CC(C)(C)OC(=O)N[C@@](C)(C(=O)O)C1(c2cc(O)c(O)c(O)c2)CC1	1951856888	SIJVOZSIXNXVHH-INIZCTEOSA-N	353.371	2.203	10	10	FECE	
COC(=O)[C@H]1C[C@]1(N)c1cc(Br)cc(Br)c1O	1952774119	DKKLYEHUKOSWGQ-HQJQHLMTSA-N	365.021	2.264	10	10	FECE	
C[C@H](O)c1ccc(N2C[C@H]3CCS(=O)(=O)[C@H]3C2)c(Br)c1	2145050190	PGYAIJDEURIATB-PXWWUCIGSA-N	360.273	2.126	10	10	FECE	
CCCNCc1ccc(N(C)C2CS(=O)(=O)C2)c(Br)c1	2152238670	FTFGXDHCGOOFPK-UHFFFAOYSA-N	361.305	2.182	10	10	FECE	
Nc1cc2c(cc1N1C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C1)OCCO2	2153994899	PCFJMDLUZHSLAY-RXVVDRJESA-N	367.449	2.130	10	10	FECE	
CNCc1ccc(N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c(Br)c1	400899799	LUDSKWDWMHHZKO-GHMZBOCLSA-N	361.305	2.180	10	10	FECE	
CC(C)(C)OC(=O)N1Cc2nccn2C[C@@H](NCc2ccc(O)c(O)c2)C1	2163404155	DVKJNHKOPKWBTK-CQSZACIVSA-N	374.441	2.203	10	10	FECE	
Cc1ccc([C@H](C)NCC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)c(O)c1	2102954251	XWJJORHVJHVFQT-ZDUSSCGKSA-N	363.458	2.074	10	10	FECE	
CO[C@]1(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CCN(C(=O)OC(C)(C)C)C1	2060616493	BCVWGMOETOHCCC-BLLLJJGKSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[C@H]2NCc2cc3c(cc2O)OCO3)C1	2095035830	PWEJHVFUPLQEIH-BFHYXJOUSA-N	362.426	2.466	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])C1	2218743209	IXAOXMQDSYRGCW-FRRDWIJNSA-N	353.423	2.218	10	10	FECE	
COc1cccc(CN[C@@]23CO[C@@H](C2)[C@H](NC(=O)OC(C)(C)C)C3)c1O	2266447710	DUMNAMBMAMBRAL-FRIZHTMISA-N	364.442	2.315	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N1CCS[C@H]2COCC[C@@H]21	2301507007	XLULWSAKULPAAK-OALUTQOASA-N	374.506	2.269	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O	118532543	AOEXGVWNXKVUFH-MRXNPFEDSA-N	371.403	2.118	10	10	FECE	
O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cn1	172081597	KZYWATYMRBRPRR-UHFFFAOYSA-N	362.411	2.069	10	10	FECE	
COc1cc(O)c(CN2CCCC[C@H]2CN2CCOCC2)cc1OC	180027568	HQGOEQGKONJSFJ-INIZCTEOSA-N	350.459	2.096	10	10	FECE	
Nc1ccc(CCNS(=O)(=O)c2cc3c(cc2Cl)OCCO3)cc1	193338097	NTIAYZMDXSGBGK-UHFFFAOYSA-N	368.842	2.214	10	10	FECE	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H]2CSC(=O)N2)cc1	266761446	PVNBEPKITMAPHS-JKSUJKDBSA-N	363.483	2.085	10	10	FECE	
C[C@H](Sc1nncn1C)C(=O)NCc1cc(Br)ccc1O	804739310	VOAMVTFNWBJWFH-QMMMGPOBSA-N	371.260	2.080	10	10	FECE	
C[C@@H](NC(=O)[C@@H]1CCCC12OCCO2)c1ccc(N2CCOCC2)cc1	806614185	MJWZJRPHHCFCMK-QAPCUYQASA-N	360.454	2.244	10	10	FECE	
CSc1cnc(NCc2ccc(N3CCS(=O)(=O)CC3)cc2)nc1	804419759	VOBDQPAUQHRQAJ-UHFFFAOYSA-N	364.496	2.045	10	10	FECE	
CC[C@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1nccs1	807257639	QNXYOAYPVGRFHV-HNNXBMFYSA-N	360.483	2.435	10	10	FECE	
O=C([C@@H]1CCCN(Cc2cc(Cl)c(F)cc2O)C1)N1CCOCC1	816483272	MLQPGMLXVIOPDF-GFCCVEGCSA-N	356.825	2.256	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)C3(C)C[C@H]4C[C@@H]4C3)nc12	815362099	ZBKHTASQWKJAMJ-GHMZBOCLSA-N	359.382	2.091	10	10	FECE	
Cc1cc(C(=O)CN2C[C@H](C(N)=O)CC[C@H]2C)c(C)n1-c1ccc(F)cn1	827680336	QATCETQLUJNMQP-IUODEOHRSA-N	372.444	2.397	10	10	FECE	
Cc1cc(CC(=O)NC2(CO)COC(C)(C)OC2)c(C)n1-c1ccccc1	834504761	HXIOADOCJOZSRH-UHFFFAOYSA-N	372.465	2.267	10	10	FECE	
C[C@@H](NC[C@H]1CCCCN1CCO)c1ccc(N2CCOCC2)c(F)c1	834851193	VQBFTFGOYLRQKE-SJLPKXTDSA-N	365.493	2.160	10	10	FECE	
O=S(=O)(Nc1ccc(-c2nc[nH]n2)cc1)c1cc(F)cc(F)c1O	753013903	BXGNBZVJBYCHJN-UHFFFAOYSA-N	352.322	2.256	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C3CC3)C(C)(C)CO)C2)cc1	854297774	WROJBJUCHQXJGT-MAUKXSAKSA-N	361.486	2.370	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](O)c3ccc(C)o3)C2)cc1	852454252	OPLHXRJOHKNASE-RHSMWYFYSA-N	359.426	2.208	10	10	FECE	
COC(=O)c1oc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1C	862159913	YUMFPPAANPRGDL-CYBMUJFWSA-N	358.394	2.392	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1C[C@H](C)O[C@@H]1C	867223643	POSXLAXEARKVEF-MISXGVKJSA-N	355.818	2.361	10	10	FECE	
Cc1ccc(C(=O)N2C[C@H]3COC[C@@H](C2)O3)cc1-n1c(C)cc(C=O)c1C	861561940	IQKFVOCIVAWRLM-KDURUIRLSA-N	368.433	2.455	10	10	FECE	
O=C(NCc1cccc(O)c1O)[C@@H]1CCCN(C(=O)c2ccccc2)C1	1123890538	ZLSSNVQPQLKXAE-MRXNPFEDSA-N	354.406	2.266	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)N3[C@@H](C)C[C@@H]3C)CC2)cc1	792007610	OKGCDWFSAGCPGO-IRXDYDNUSA-N	360.502	2.400	10	10	FECE	
CC[C@H]1N(C(=O)OC(C)(C)C)C[C@@]1(O)[C@H](N)c1ccc2c(c1)CCN2C	1888030430	CAMNAZJBGVHNNW-HLIPFELVSA-N	361.486	2.439	10	10	FECE	
Cc1c(C(=O)NCc2cc(O)ccc2O)nnn1Cc1ccc(F)cc1F	1176755029	KSLGKQZRGBCDFL-UHFFFAOYSA-N	374.347	2.254	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2C[C@H]2c2ccccc2)cc1	1326058251	QSAVWWKCXLPOCS-HKUYNNGSSA-N	351.450	2.289	10	10	FECE	
CN1CCCc2cc(CNC(=O)C(=O)N[C@H]3C[C@@H]3c3ccccc3)ccc21	1345501303	WCOPRZAFNAAXNP-MOPGFXCFSA-N	363.461	2.358	10	10	FECE	
O=C(O)CCCN1C(=O)/C(=C\c2ccccc2C(=O)O)SC1=S	3193149	OIZSFELWWYFVHK-DHZHZOJOSA-N	351.405	2.451	10	10	FECE	
O=C(NCc1cc(=O)n2ccccc2n1)c1cc2cc(O)c(O)cc2s1	1557324525	CZQBHXCNEZOQCG-UHFFFAOYSA-N	367.386	2.250	10	10	FECE	
Cc1ccc(N(CC(C)C)C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1	1597967437	WJEMNYNYYGQTSQ-UHFFFAOYSA-N	373.478	2.482	10	10	FECE	
O=C(NCc1ccc(Cn2cncn2)cc1)NCc1c(O)cccc1F	1681623913	LQGLGHNJFMHZBV-UHFFFAOYSA-N	355.373	2.171	10	10	FECE	
CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc(Cl)cc1	13654525	IWYNAQVDYDYAGD-IAOKNECISA-N	353.831	2.041	10	10	FECE	
COc1cccc(CNC(=O)NCc2cn(C)nc2C(F)(F)F)c1O	160848956	XRVYCAXYRSNGSG-UHFFFAOYSA-N	358.320	2.153	10	10	FECE	
CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)NCCc1ccc(N)cc1	152572347	IKALSGZDCCFNBF-UHFFFAOYSA-N	367.858	2.266	10	10	FECE	
C[C@@H](NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1cc(O)ccc1O	1918959932	DNEWKYALWWSBCC-KZULUSFZSA-N	352.431	2.120	10	10	FECE	
Nc1ccc(OCCC(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@H]23)cc1	398410050	SHZJPJPBTNSCFR-OALUTQOASA-N	351.450	2.284	10	10	FECE	
CN(C)c1ccc([C@@H](CN)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1	2194844759	DGNGWJGSGRVMMR-XJKSGUPXSA-N	372.435	2.143	10	10	FECE	
CO[C@@H]1C[C@@H](CNCc2cccc(O)c2O)N(C(=O)OC(C)(C)C)C1	2052355124	JPRIRPKQPFQXES-UONOGXRCSA-N	352.431	2.212	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2060639687	KSCCQCYVPUIHGF-OLZOCXBDSA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C(=O)NCC2(CN=[N+]=[N-])CC2)CO1	2060610317	GJPWWWGXMKQKFH-VXGBXAGGSA-N	353.423	2.123	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(CN=[N+]=[N-])CC1)C1COC1	2060635173	IYQUYNGXERJYGH-ZDUSSCGKSA-N	353.423	2.075	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(CCOc2ccc(N)cc2)CCO1	2106668609	JOISPIISLWZMCE-RHSMWYFYSA-N	365.474	2.262	10	10	FECE	
CN(C(=O)CN1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(N)cc1	2106664522	NFOIPYCMVBWLEB-HNNXBMFYSA-N	362.474	2.221	10	10	FECE	
COc1ccc2ccc(OC)c(C=C3C(=O)NC(=S)N(C)C3=O)c2c1	2293677397	STHDDUQUSXOZJM-UHFFFAOYSA-N	356.403	2.114	10	10	FECE	
C[C@@H](C(=O)NC1CC1)N1CCN(Cc2c(O)ccc3ccccc23)CC1	119486458	BIHMRLKESRNSNY-HNNXBMFYSA-N	353.466	2.330	10	10	FECE	
CC(C)N1CCO[C@H](CN2CCN(Cc3cc(Cl)ccc3O)CC2)C1	121044138	DGUDPQOVIXPOEV-GOSISDBHSA-N	367.921	2.272	10	10	FECE	
COC(=O)CCN1C(=O)/C(=C\c2ccccc2C(=O)O)SC1=S	40937840	ITAHMEXGBUTVFL-DHZHZOJOSA-N	351.405	2.149	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N2CCCc3c2cccc3[N+](=O)[O-])c1	255871577	KYYPAWFNDRWKIR-FPLPWBNLSA-N	366.377	2.342	10	10	FECE	
COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1cc(OC)ccc1O	802782072	NJYXAWSSXWVQMB-RISCZKNCSA-N	368.430	2.118	10	10	FECE	
C[C@H]1CCN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c2ccccc2S1	809958399	VTMJRZUDHQWYLP-XEHSLEBBSA-N	371.462	2.015	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CCCC[C@@H]3C(F)F)nc12	800446030	GCPKAPPTCBCFEZ-GFCCVEGCSA-N	354.357	2.231	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccn(-c3ccc(N)cc3)n2)C1	2163056437	RRNIYFUDSMBHAY-CQSZACIVSA-N	371.441	2.194	10	10	FECE	
C[C@H](CCS(C)(=O)=O)N(C)c1ccc(CN)c(Br)c1F	2160736458	PKBMOESUNUPFGW-SECBINFHSA-N	367.284	2.306	10	10	FECE	
O=C1CN(Cc2ccccc2O)C(=O)N1Cc1nccn1CC(F)(F)F	819169237	ZUIYNOCJOBWOFT-UHFFFAOYSA-N	368.315	2.115	10	10	FECE	
COc1ccc(N2CCC(NS(=O)(=O)[C@H]3CCO[C@@H](C)C3)CC2)cc1	830352343	LMWOGMILVZRTHM-KSSFIOAISA-N	368.499	2.151	10	10	FECE	
Cc1cc(-c2nc(-c3cn(C)nn3)no2)ccc1NC(=O)C1=S=CC=C1	904811434	LYETTWGJGMKQHY-UHFFFAOYSA-N	366.406	2.057	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cc2cc[nH]c(=O)c2s1	843774611	MEVHKVCUZZIECT-UHFFFAOYSA-N	369.446	2.356	10	10	FECE	
C[C@H](N)[C@@H](C)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	841843399	HEGFBLULDJGBJV-XQQFMLRXSA-N	356.417	2.292	10	10	FECE	
CCN(CC)c1ccc(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])cc1	849370449	BTZJNCYDBWMZPU-UHFFFAOYSA-N	364.427	2.315	10	10	FECE	
NC1(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCCCCC1	851661563	LEMQJQHGYIAFCI-UHFFFAOYSA-N	374.529	2.499	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@]4(CCCN(C)C4)C3)C2)cc1	854297627	PHYOFVLVFDBELH-UTKZUKDTSA-N	372.513	2.401	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Cn3cc4ccccc4n3)C2)cc1	855231131	KOJNSGBIYPSLQE-INIZCTEOSA-N	350.422	2.440	10	10	FECE	
CC(C)c1ncc2c(n1)CCN(CC(=O)NCc1ccc(N(C)C)cc1)C2	857881741	AJZZRKOWLVABKB-UHFFFAOYSA-N	367.497	2.341	10	10	FECE	
COc1ccc(N(C)CCN(C)CC2=NS(=O)(=O)c3ccccc32)cc1	852212099	UGCOSWSFNSISFE-UHFFFAOYSA-N	373.478	2.255	10	10	FECE	
O=C(NCCCSc1nccs1)N1C[C@H]2[C@H]3CC[C@@H](NC3)[C@H]2C1	861609251	GMSYBVHJCZDSKB-XDQVBPFNSA-N	352.529	2.265	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1C1CCOCC1	868966672	VSLVZTLLBNZNSZ-DLBZAZTESA-N	361.438	2.347	10	10	FECE	
Cc1ccc(CN2CCO[C@H](CNC(=O)Cc3ccc(N)cc3)C2)cc1	867997706	IQTIZCMEVDQJLN-HXUWFJFHSA-N	353.466	2.137	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CNC2CCN(C(=O)OC(C)C)CC2)c1O	775021402	LYMJPVFFGUUNQM-UHFFFAOYSA-N	367.402	2.408	10	10	FECE	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC1COC1	870865846	GJRCDMQQJHCAJL-KPKJPENVSA-N	368.505	2.245	10	10	FECE	
COc1ccc(N2CCN(C(=O)COC(=O)[C@H]3C[C@@H]3C(C)C)CC2)cc1	772498159	ZUEJOQYLSZKNEP-MSOLQXFVSA-N	360.454	2.179	10	10	FECE	
C[C@@H](NC(=O)C(=O)Nc1cnn(C)c1C1CC1)c1ccc(N(C)C)cc1	773849557	VXRNWFBHZLTBPF-GFCCVEGCSA-N	355.442	2.179	10	10	FECE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)C(=O)NCCCSc1nccs1	897730336	LVKOLSOAXQPFOL-MROQNXINSA-N	353.513	2.150	10	10	FECE	
O=C(Cn1nnc2ccccc21)NCc1cccc(Br)c1O	1156791532	KBNDTISRUYLOSY-UHFFFAOYSA-N	361.199	2.216	10	10	FECE	
CC[C@H]1N(C(=O)OC(C)(C)C)C[C@@]1(O)[C@@H](N)c1ccc2c(c1)CCN2C	1888030432	CAMNAZJBGVHNNW-UWVAXJGDSA-N	361.486	2.439	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CCCN(C2CC2)C1=O	1334143071	OUIHEZMTNQAVOX-GOSISDBHSA-N	373.522	2.257	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N(C)c2cccnc2N2CCCC2)c1	1514903329	XVZPOYZLDRWHQA-BQYQJAHWSA-N	365.437	2.113	10	10	FECE	
COc1cccc([S@@](=O)CC(=O)NCc2ccc3cccnc3c2O)c1	1299726613	VARHVQLRKRPTJW-SANMLTNESA-N	370.430	2.373	10	10	FECE	
COc1cc(OC)cc([C@H](O)CNC(=O)c2ccc(N=NC(N)=O)cc2)c1	1465896259	BNUVMVLTHWKDEF-MRXNPFEDSA-N	372.381	2.330	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]12CN(CCc3ccc(N)cc3)C[C@@H]1CCO2	2118569187	RDULJQHTSQKUGH-OXJNMPFZSA-N	361.486	2.427	10	10	FECE	
CCc1nnc(N2CCOC[C@@H]2C)n1Cc1ccc2c(c1)CCCN2C	1709163643	GQWQYOLZJKVGSJ-HNNXBMFYSA-N	355.486	2.496	10	10	FECE	
O=C(CC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1)NC1CCCC1	1626659171	NOJHLVZUWYDWRS-UHFFFAOYSA-N	360.454	2.328	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@]12CCOC[C@@H]1CN(C(=O)OC(C)(C)C)C2	2124518561	ZLUAVCKAEBEWCX-GUYCJALGSA-N	367.450	2.419	10	10	FECE	
Cc1noc([C@@H]2OCC[C@@H]2NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1	1680280989	SSMAANTZYRZMDN-KNXALSJPSA-N	359.430	2.334	10	10	FECE	
C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCCCC1	155304009	AJAFQKOVBMCEDY-INIZCTEOSA-N	356.470	2.263	10	10	FECE	
Cc1ccc(CNC2(C(N)=O)CCN(C(=O)OC(C)(C)C)CC2)c(O)c1	2139774694	YPEXFPWFDCJADN-UHFFFAOYSA-N	363.458	2.045	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H](N)Cc2ccc(O)c(O)c2)C1	1952889735	IPVSOIDUQXFTLG-WWGRRREGSA-N	352.431	2.040	10	10	FECE	
CN(Cc1ncn(C)n1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2	2178354779	ZCGVQIDPGNZNQR-UHFFFAOYSA-N	372.473	2.327	10	10	FECE	
C[C@H](CNC(=O)OC(C)(C)C)N(C)CCC(=O)Nc1ccc(N)cc1	2044611958	SIUUYJPQMXLEMO-CYBMUJFWSA-N	350.463	2.442	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2060640647	XEEGEKBYEYMQIT-CHWSQXEVSA-N	353.423	2.314	10	10	FECE	
CN1CCC(CC(=O)NCCCN=[N+]=[N-])(NC(=O)OC(C)(C)C)CC1	2060613108	NPHYWNUVCQULHZ-UHFFFAOYSA-N	354.455	2.182	10	10	FECE	
CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)N1CCC(CN=[N+]=[N-])CC1	2060639656	KMQVCNFHQRIZAW-LBPRGKRZSA-N	355.439	2.200	10	10	FECE	
CC(C)(C)OC(=O)NCc1csc(=NCc2ccc(O)c(O)c2O)[nH]1	2082105670	HHTPMTWONNCZEJ-UHFFFAOYSA-N	367.427	2.319	10	10	FECE	
COc1cc(N)c(N2C[C@@H](NC(=O)C(F)(F)F)CC[C@@H]2C)cc1OC	2106713939	XSTLRWGHXDNUCO-UWVGGRQHSA-N	361.364	2.322	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-])C1(O)CCC1	2218736539	ZUNWPCAHFBASBV-QJPTWQEYSA-N	353.423	2.142	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)NCc2ccccc2O)CO1	2264712092	FYDHZOJZGANHCO-GJZGRUSLSA-N	364.442	2.328	10	10	FECE	
COC(=O)[C@@H](CO)NC(=O)C=Cc1cc(C)n(-c2ccc(C)cc2)c1C	2296032583	KJPHCXRAZACTEO-GOSISDBHSA-N	356.422	2.066	10	10	FECE	
CCN(CCO)C(=O)CN1C(=O)C(=Cc2ccc(C)cc2)SC1=S	2314936680	ZUVMCUZHQUXDDX-UHFFFAOYSA-N	364.492	2.037	10	10	FECE	
CN[C@H](c1ccccc1O)[C@]1(O)C[C@H](OC)CN(C(=O)OC(C)(C)C)C1	2344445795	YUSFZEUBEPQLKL-CRFBAAHOSA-N	366.458	2.040	10	10	FECE	
Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc(N2CC=CC2)cc1	175807384	MXYUOYZHMOHXEV-KRWDZBQOSA-N	352.442	2.297	10	10	FECE	
C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCCCC1	172699124	AJAFQKOVBMCEDY-MRXNPFEDSA-N	356.470	2.263	10	10	FECE	
CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)C1Cc2ccccc2C1	271221727	GDWUACXWAFJZKF-UHFFFAOYSA-N	360.435	2.003	10	10	FECE	
O=C1CC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C2(CCC2)N1	282631442	GHSLFSLJCQPDHI-QGZVFWFLSA-N	356.470	2.287	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)[C@@H](O)Cc1ccccc1	804738622	XKYPMTLKRJHHRY-HNNXBMFYSA-N	350.212	2.375	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)NCC[C@@]3(O)CCOC3)ccc21	652807647	RIXGPEIINQAXSF-HXUWFJFHSA-N	360.454	2.176	10	10	FECE	
COCCCn1ccc(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)n1	821187273	CBJIKZZDESGMNU-HNNXBMFYSA-N	373.457	2.329	10	10	FECE	
CNC(=O)CC(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C	837647395	BKPBIMWYKBLIIB-UHFFFAOYSA-N	363.801	2.005	10	10	FECE	
CCc1ccc(NC(=O)C(=O)NCc2ccc(OC)cc2O)cc1OC	835319116	WLPXDZKCOHPKAC-UHFFFAOYSA-N	358.394	2.227	10	10	FECE	
COc1cc(Br)cc([C@H](C)NC[C@@]2(O)CCO[C@@H]2C)c1O	848549761	SWIBFYGLFVQREY-WMFXKJRFSA-N	360.248	2.354	10	10	FECE	
COc1ccc(N2CC[C@@H](N3C(=O)NC4(CCSCC4)C3=O)C2)cc1	849357336	LRXPZRQDTXLPOD-CQSZACIVSA-N	361.467	2.092	10	10	FECE	
CC1(C)CN(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1	847591208	RSRSLFFPHQDIFU-MRXNPFEDSA-N	365.905	2.468	10	10	FECE	
CCC1CCN(S(=O)(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	849417439	QZQVTKQWFMKRIY-INIZCTEOSA-N	367.515	2.230	10	10	FECE	
CCON(C)C(=O)CNC(=O)N(Cc1ccco1)Cc1ccccc1O	845566163	HYVLQQAQYFIBEB-UHFFFAOYSA-N	361.398	2.107	10	10	FECE	
CC1CCN(c2ccc(CN3C(=O)N[C@@H](c4ccnn4C)C3=O)cc2)CC1	843311044	OAZUNVNWBGCKII-SFHVURJKSA-N	367.453	2.450	10	10	FECE	
CC[C@](C)(CO)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	847641250	SSVDXQCAOLLCLB-OAQYLSRUSA-N	359.514	2.243	10	10	FECE	
COC(=O)c1ccc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)o1	852110023	KSQVHDVEGDLYEP-CYBMUJFWSA-N	373.409	2.153	10	10	FECE	
C[C@H](NC(=O)NCc1cc(Br)ccc1O)c1nccn1C	852688601	JFKPOPWSDOQLTJ-VIFPVBQESA-N	353.220	2.449	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CCn3c(C)csc3=O)C2)cc1	855229336	MYUOUZNKBNIQOP-CQSZACIVSA-N	361.467	2.012	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@](C)(C4CC4)C3)C2)cc1	852449656	VNOFDDPCUAWOAR-JXFKEZNVSA-N	359.470	2.484	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@H]3CO[C@@H](C4CC4)C3)CC2)cc1	858911623	LWNSXMPNSOUSCW-VQIMIIECSA-N	359.470	2.484	10	10	FECE	
Cc1cc(O)c(CNC[C@]2(CO)COCCN2Cc2ccccc2)cc1C	850395938	LPIGXPSOJBTDMH-QFIPXVFZSA-N	370.493	2.362	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)c3ccccc3)C2)cc1	852454980	RPWBVIHCNHFSLB-QFBILLFUSA-N	355.438	2.307	10	10	FECE	
COc1cccc(C[C@H]2NC(=O)N(Cc3ccc(N(C)C)cc3)C2=O)c1	863500023	NIVMPCXXBHCMGI-GOSISDBHSA-N	353.422	2.424	10	10	FECE	
CC(C)C[C@]1(C(=O)NCc2cc(Br)ccc2O)CCNC1=O	868306750	AOGPJKHHIDCPFN-MRXNPFEDSA-N	369.259	2.323	10	10	FECE	
COC(=O)c1c(CN[C@H](CO)C[C@@H]2CCCO2)c2cc(F)ccc2n1C	895748160	KBGOWSCWYZDTFM-KBPBESRZSA-N	364.417	2.124	10	10	FECE	
Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)Cc2ccc(O)c(O)c2)cc1	1136498074	FKTVXNWUNBJOSC-HNNXBMFYSA-N	372.446	2.489	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CCN(c3cnccc3C)CC2)c1O	798962202	NHVAZYQHTQJWMF-UHFFFAOYSA-N	358.398	2.335	10	10	FECE	
CC(C)(O)c1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1	790065519	JDECTKZBMSEWQA-UHFFFAOYSA-N	364.423	2.243	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1	1142533682	QFRBXUSUMGKVJT-UHFFFAOYSA-N	354.322	2.122	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1nc(C2CC2)n(-c2ccccc2)n1	1162279223	WLPHOBNZDSFPON-UHFFFAOYSA-N	350.378	2.486	10	10	FECE	
C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)NCCc1ccc(O)c(O)c1	1963688347	RQEHCIXDPFNTEP-MLGOLLRUSA-N	364.442	2.402	10	10	FECE	
CCOc1ccc(CNCc2cccc([C@]3(C)NC(=O)NC3=O)c2)c(O)c1	1320071593	QBAMUIJMMKZXBL-FQEVSTJZSA-N	369.421	2.135	10	10	FECE	
Nc1ccc(CCC(=O)N[C@@]2(C(=O)O)CCN(Cc3ccccc3)C2)cc1	692364511	GNMXWNJERGILNE-NRFANRHFSA-N	367.449	2.047	10	10	FECE	
CN(C[C@H](O)COCc1ccccc1)c1cc2c(cc1N)NC(=O)CC2	1916354123	IJZKGBJYKRBXTD-INIZCTEOSA-N	355.438	2.167	10	10	FECE	
Cc1cc(C(=O)N2C[C@@H](CO)[C@H](CCO)C2)c(C)n1-c1ccc(F)cc1	1353357066	MRNRRNKBMVPWRM-CVEARBPZSA-N	360.429	2.296	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2F)cc1	1446731943	FJYBBGSCBIVZCW-OAHLLOKOSA-N	369.356	2.301	10	10	FECE	
O=C(NCc1cc(O)ccc1O)C(F)(F)n1cc(-c2ccccc2)nn1	1455354365	MPFVZIHJRASHJE-UHFFFAOYSA-N	360.320	2.222	10	10	FECE	
COc1cccc(-n2cc(C(=O)NCc3ccc(N(C)C)cc3)nn2)c1	1523211793	HIPPWYICHCFBJL-UHFFFAOYSA-N	351.410	2.272	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3ccc(O)cc3F)CC2)cc1	1464542058	LSNUMVXVWBOFDJ-UHFFFAOYSA-N	373.428	2.092	10	10	FECE	
CC[C@@](COC)(NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)OC	1556920747	FKLWVJJTCVIHOH-INIZCTEOSA-N	353.396	2.011	10	10	FECE	
Cc1cccc([C@H]2C(=O)NCCN2C(=O)/C=C/c2ccc(O)c(O)c2)c1	1557637800	DOIQXAXEZUUOCD-FNQPIQQGSA-N	352.390	2.119	10	10	FECE	
COc1ccc(N2CCN(CCn3cc(Cl)cn3)CC2)c(OC)c1	1560082767	KHVZUVHLHQYQOT-UHFFFAOYSA-N	350.850	2.376	10	10	FECE	
COC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)Cc1ccc(O)c(O)c1	1595339336	TWMWIQIJJRZFII-OAHLLOKOSA-N	369.373	2.287	10	10	FECE	
CCOc1cccc(CNCCC(=O)NCCCN(CC)CC)c1O	1857859685	BFLWJCRRSCMFOZ-UHFFFAOYSA-N	351.491	2.119	10	10	FECE	
C[C@H](O)c1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Br	2151273734	QGXPYACMRWRHLC-RBZYPMLTSA-N	360.273	2.126	10	10	FECE	
Nc1ccc(CCC(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)cc1	2153983172	NIKQDTITXXXYTJ-SFTDATJTSA-N	365.477	2.313	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C[C@@H]2CCC[C@@H]21	2049783158	RTIPRQBTWOGJAB-YTFOTSKYSA-N	350.459	2.430	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2060611027	OMEKQWSPDDPEBG-JHJVBQTASA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(Cc2c(O)cccc2F)[C@H](C(=O)O)C1	2081046499	DMMHDQGMUYXKHI-ZDUSSCGKSA-N	354.378	2.037	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)[C@H]1C1CC1	2253728050	IQFRHPNLMHGJMY-ATVPRXPUSA-N	350.459	2.288	10	10	FECE	
CN(Cc1ccccc1O)C(=O)CN(C(=O)OC(C)(C)C)[C@@H]1CCOC1	2272575532	VIFPJBPVXADWQJ-OAHLLOKOSA-N	364.442	2.377	10	10	FECE	
Cc1ccc(O)c(CNCC(F)(F)C2(O)CN(C(=O)OC(C)(C)C)C2)c1	2272870816	ICLGYAKOBPFXBM-UHFFFAOYSA-N	372.412	2.407	10	10	FECE	
CN(C)c1ccc(CN[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)O)cc1	2326499609	KRJMDIRVOYOJCG-SFHVURJKSA-N	351.447	2.210	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@]1(C(=O)C(=O)C[C@H]3C[C@H](N)C3)C[C@H]21	2330093458	GXYSXEQOJCGTKH-QRXIMXCNSA-N	362.470	2.430	10	10	FECE	
C[C@H](NC[C@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1cc(O)ccc1O	2330274045	OVVGOXRQMLYESA-SAUZDDAKSA-N	366.458	2.413	10	10	FECE	
C[C@@H](NC[C@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1cc(O)ccc1O	2330274044	OVVGOXRQMLYESA-GADXADSLSA-N	366.458	2.413	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)N(C)CCSC)cc2F)CC1	126449064	IZYCQCSFZDPGSU-UHFFFAOYSA-N	368.522	2.472	10	10	FECE	
O=c1cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)nc2ccccn12	194073588	UMTLNJGBEZMVMU-UHFFFAOYSA-N	368.412	2.407	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)c3cccn3C3CC3)cc2)CC1	190231321	IFKDOWBJDSYVOL-UHFFFAOYSA-N	366.465	2.422	10	10	FECE	
O=C(NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1cccc(O)c1O	376418263	BLNVVMQLXLNILM-UHFFFAOYSA-N	363.801	2.114	10	10	FECE	
Cc1nnc(O)c(C(=O)NCc2cc(Br)ccc2O)c1C	804733181	LFISDUAGEHKCFQ-UHFFFAOYSA-N	352.188	2.197	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1	822001799	YLNJCRIXDSYHTL-ZFWWWQNUSA-N	354.472	2.280	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Nc3nc4ccccn4n3)C2)cc1	822440202	GCXMTBAHXDQWCZ-CYBMUJFWSA-N	352.398	2.138	10	10	FECE	
O=[N+]([O-])c1cc(Cl)cc(CN2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1O	824653667	FCWDROYRWWKGGJ-HONMWMINSA-N	356.806	2.316	10	10	FECE	
CCCN(CCC)c1ccc(CNCC[C@@H]2CNCCS2(=O)=O)cc1	903967119	HJCKEGGHNHNVNO-LJQANCHMSA-N	367.559	2.179	10	10	FECE	
Cc1ccc(C(=O)N2CCC(CO)(CO)C2)cc1-n1c(C)cc(C=O)c1C	912546329	JGWCOKZCZZCNTI-UHFFFAOYSA-N	370.449	2.032	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1C[C@H]2CNC[C@@H](C1)C2=O	843484642	ANLLLZZDEFBAMM-AYHJJNSGSA-N	357.498	2.304	10	10	FECE	
COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cn2c(n1)CCC[C@@H]2C	841677568	UHTQQAGDZDSCSF-JTQLQIEISA-N	365.411	2.073	10	10	FECE	
CO[C@]1(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CCSC1	925197186	DKBWNRXUIPKZGS-INIZCTEOSA-N	370.858	2.332	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Nc3cc(C(N)=O)ccc3F)C2)cc1	854300937	DPIDTVMHCYYAKL-ZDUSSCGKSA-N	372.400	2.334	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN4CCCC[C@@H]34)C2)cc1	852060837	YIOJPQRFZMSAHW-SNRMKQJTSA-N	358.486	2.200	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCC(F)(F)[C@H]3O)C2)cc1	854297033	IMUOENMQRPEXJO-MAZHCROVSA-N	369.412	2.122	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCO[C@H](CC(F)(F)F)C2)cc1	852739777	GFLAUMRGMOUHGB-OAHLLOKOSA-N	359.392	2.022	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Nc3cnc4c(c3)CNCC4)C2)cc1	850753484	FTWQJOCOXBAIEA-OAHLLOKOSA-N	367.453	2.136	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H](O)CCc3ccccc3)CC2)cc1	764595601	GEIBGALDWFJISG-HXUWFJFHSA-N	354.450	2.338	10	10	FECE	
COCc1cncc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	765567486	VIVPYZUOTPNQTQ-UHFFFAOYSA-N	373.428	2.258	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCOC[C@H]1C	1117464513	JEMQKASVLXTOTI-QAPCUYQASA-N	361.486	2.031	10	10	FECE	
O=C([C@@H]1CCCC12OCCO2)N(Cc1ccccc1O)C[C@H]1CCCO1	774065886	IYEFHIBTLXDREN-SJORKVTESA-N	361.438	2.443	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCC1CS(=O)(=O)C1	786843391	UWVGCDWNDNWDKQ-UHFFFAOYSA-N	367.515	2.107	10	10	FECE	
CCCN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@H]1CCS(=O)(=O)C1	895589707	FTRDZFUAGUMADQ-NSHDSACASA-N	369.464	2.352	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccnc4[nH]c(C)nc34)CC2)cc1	797789359	FXOHKZTXBJNRAC-UHFFFAOYSA-N	351.410	2.237	10	10	FECE	
C[C@H](NC(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C)c1ccc(N(C)C)cc1	790833277	BUSBKKIOIMKYPM-LXZKKBNFSA-N	351.491	2.271	10	10	FECE	
COC(=O)[C@@]1(O)CCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1	1153270391	UKONQBUJICQUNC-HXUWFJFHSA-N	356.422	2.153	10	10	FECE	
C[C@H](O)[C@H](C)OC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1	87722548	YLCYDARNSJPGCV-UQFNYGDGSA-N	356.466	2.451	10	10	FECE	in-vitro
Cc1cc(CC(=O)OCCCNS(C)(=O)=O)c(C)n1-c1ccccc1	1333672108	UKBCVWPDKXKIPR-UHFFFAOYSA-N	364.467	2.119	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1cccnc1C	1330597312	AHEQZXIBBJYDOE-DYLHUKMJSA-N	370.405	2.105	10	10	FECE	
Cc1ccc(O)c(CNC(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc23)c1	1453646559	ATNIOPQWELPSDN-LBPRGKRZSA-N	352.394	2.012	10	10	FECE	
CN(C(=O)COCCOCCOCc1ccccc1)c1ccc(N)cc1	2120312634	YTRLOBZIOHXECB-UHFFFAOYSA-N	358.438	2.482	10	10	FECE	
C[C@H](CNC(=O)OC(C)(C)C)[C@H](F)C(=O)NCCc1ccc(O)c(O)c1	2124286702	QICUHFDYIROLJI-ABAIWWIYSA-N	370.421	2.255	10	10	FECE	
CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H](C)CS(=O)(=O)CC	1633698595	MPDQNWUQFGTTGC-LLVKDONJSA-N	354.432	2.134	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H]1COC[C@H]1N(C)C(=O)OC(C)(C)C	2124377268	QCODCYZRURRFJQ-LSDHHAIUSA-N	364.442	2.233	10	10	FECE	
O=C(N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)c1cccc(O)c1O	1643358957	MNBMRAWQIMNNDH-GFCCVEGCSA-N	364.760	2.426	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC[C@@H]2C(=O)NC2CC2)c([N+](=O)[O-])c1	1772828927	DFLGATOYBYJAQH-FUVBFXSKSA-N	359.382	2.028	10	10	FECE	
O=C1/C(=C/c2ccc(F)cc2F)SC(=S)N1CCN1CCOCC1	12766474	XAVLELMJRGZYHD-ZROIWOOFSA-N	370.446	2.498	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(O)c1	2132401173	RZSKABLXWAEHQD-TXEJJXNPSA-N	364.398	2.027	10	10	FECE	
CO[C@@H]([C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C1(N)CC1	1952829133	IDIHCZKDDLKFKN-DOMZBBRYSA-N	352.431	2.040	10	10	FECE	
Cc1cc(Br)cc(CN2C[C@@H]3CCS(=O)(=O)[C@H]3C2)c1O	2145071843	OHIDLYUISPJFAH-GWCFXTLKSA-N	360.273	2.082	10	10	FECE	
C[C@@H]1CCN(c2cc3c(cc2N)OCCO3)[C@H](C)[C@H]1NC(=O)C(F)(F)F	2163085030	JSKAWEULCWAYHW-FCHSOHFDSA-N	373.375	2.322	10	10	FECE	
CN(C(=O)OC(C)(C)C)C1CC(C(=O)NCCc2ccc(O)c(O)c2)C1	860235338	RTIBJOVWSJDNSL-UHFFFAOYSA-N	364.442	2.402	10	10	FECE	
CCNCc1ccc(N2CC[C@@H](S(C)(=O)=O)C2)c(Br)c1	2179907893	KMJKLABZCFALEK-GFCCVEGCSA-N	361.305	2.182	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NC(=O)Nc1ccc(N)cc1	2106285188	LWOIGIXIYCIOOD-GBJTYRQASA-N	362.430	2.071	10	10	FECE	
O=C(Nc1ncccc1I)c1ccc(O)c(O)c1	2082443531	WZANFJNDNDMDTR-UHFFFAOYSA-N	356.119	2.350	10	10	FECE	
C[C@H](CCS(C)(=O)=O)N(C)c1ccc(CO)cc1Br	2104461244	YTKZZCAROZQYTM-SNVBAGLBSA-N	350.278	2.201	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H]1C[C@@]1(C(=O)C(=O)C[C@H]1C[C@H](N)C1)C2	2112561470	GXYSXEQOJCGTKH-HYEUBURRSA-N	362.470	2.430	10	10	FECE	
CCN(CCO)C(=O)CN1C(=O)C(=Cc2cccc(C)c2)SC1=S	2314934550	IELMAJXKZDIYDI-UHFFFAOYSA-N	364.492	2.037	10	10	FECE	
Cn1c(COC(=O)/C=C/c2ccc(N3CCOCC3)cc2)nnc1C1CC1	108909024	GJMIXAHBPUVGHL-RUDMXATFSA-N	368.437	2.286	10	10	FECE	
Cc1n[nH]c([C@H]2CN(C(=O)c3cc(C)n(-c4ccccn4)c3C)CCO2)n1	173550902	KNINNWYBCCSAGJ-MRXNPFEDSA-N	366.425	2.129	10	10	FECE	
Cc1cc(C(=O)CN2CCN3C(=O)NC[C@@H]3C2)c(C)n1-c1ccc(F)cc1	175884115	GSYJJVGAGXGYCW-QGZVFWFLSA-N	370.428	2.125	10	10	FECE	
C=CC(=O)NCCC(=O)N(CC)Cc1cc(Br)ccc1O	119623438	PVAOVFRTMXZWAP-UHFFFAOYSA-N	355.232	2.196	10	10	FECE	
O=C(NCCNC(=O)c1ccccc1)NCc1ccc(N2CC=CC2)cc1	172692858	ZBGCFOPNOFGXSQ-UHFFFAOYSA-N	364.449	2.292	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(C)c3F)CC2)cc1	180440785	WKOCMHAMGRPGPU-UHFFFAOYSA-N	371.412	2.430	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCc3cscn3)CC2)cc1F	123561745	UFMOSLUUHCGGAT-UHFFFAOYSA-N	350.419	2.323	10	10	FECE	
C[C@@H]1CN(C2CCN(C(=O)NCc3ccc(N(C)C)cc3)CC2)CCO1	123000052	HJTCTKJKKFAXFL-MRXNPFEDSA-N	360.502	2.147	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NCCCCN2CCOCC2)cc1	80021011	JOTPMTIMWMJZCW-UHFFFAOYSA-N	362.518	2.444	10	10	FECE	
CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	190635896	RVYNIKZZXDQZQV-FZMUQLTDSA-N	367.449	2.487	10	10	FECE	
CC(C)Cn1ccnc1CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	807389841	POHPDFCGGCKJGX-OAHLLOKOSA-N	371.485	2.099	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1	808501473	JWXLCDALWWXRCA-ZDUSSCGKSA-N	372.204	2.299	10	10	FECE	
Cc1nc(=NC(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)o[nH]1	571862401	HQDPDCSOIHYIAZ-UHFFFAOYSA-N	353.426	2.160	10	10	FECE	
CCOc1ccc(O)c(CNCc2cccc(S(=O)(=O)N(C)C)c2)c1	824737942	HFVFZJIGYPFZMR-UHFFFAOYSA-N	364.467	2.331	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1nnc(-c2ccco2)o1	900269462	OLMUOADCXPXNCY-UHFFFAOYSA-N	372.356	2.235	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)NCc2ccc3c(c2)CCCN3C)c1	731981663	RLEBAFOCLGNLOG-SOFGYWHQSA-N	364.449	2.153	10	10	FECE	
COC(=O)/C=C\c1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1	747237161	WTPSBRDFHDPOJM-JYRVWZFOSA-N	374.462	2.417	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3[C@H]4CCCC[C@H]43)cc2)C1	746147242	MMANSWCNNNISOX-GDAAHCPNSA-N	355.482	2.441	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN3CCOc4ccccc43)CC2)cc1	914788850	CRONRVJKFIDKEU-UHFFFAOYSA-N	367.449	2.243	10	10	FECE	
CCOc1cc(O)ccc1NS(=O)(=O)c1coc(C(=O)N(C)C)c1C	842588139	KZHQOAWFSPYEGO-UHFFFAOYSA-N	368.411	2.195	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CNCCC1(F)F	841707352	RIZIKAUEFWCHEP-OAHLLOKOSA-N	370.469	2.036	10	10	FECE	
C[C@@H](NC[C@@H](O)CS(C)(=O)=O)c1ccc(N2CCCCCC2)cc1	927033719	PZRGFOLXQNAPBA-CRAIPNDOSA-N	354.516	2.123	10	10	FECE	
CCN(CC)c1ccc(CN2C(=O)N[C@@H]([C@H](O)c3cccnc3)C2=O)cc1	924485932	DDEYWJNNGDHCJV-ZWKOTPCHSA-N	368.437	2.082	10	10	FECE	
C[C@@H](NC(=O)N[C@@H](Cc1cncs1)C(=O)O)c1ccc(N(C)C)cc1	929046494	WCLVTOPYUOZXBY-ABAIWWIYSA-N	362.455	2.265	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3ccnc(OC)c3)C2)cc1	851943549	BGQBRJBUYSZRPI-OAHLLOKOSA-N	356.426	2.177	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN(C)C[C@@H]3CC=CCC3)CC2)cc1	754270644	NYBTVRXCOMQCMN-CTNGQTDRSA-N	373.541	2.466	10	10	FECE	
CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2cnc(O)s2)cc1	866560198	PYXSLHCVSCSNEX-UHFFFAOYSA-N	353.469	2.268	10	10	FECE	
CC(C)C(=O)N1CCC[C@@H]1C(=O)NCc1cccc(Br)c1O	765753696	PCWLZNWBXMENJR-CYBMUJFWSA-N	369.259	2.418	10	10	FECE	
COc1cc(O)c(CNC[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)cc1OC	895819553	ASWACQNOHBQCSR-QRDCCXFBSA-N	351.443	2.472	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1n[nH]c(C)c1C	1137816607	MHTIQIOYXDUMKU-UHFFFAOYSA-N	351.790	2.201	10	10	FECE	
CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(O)c(O)cc2s1	1154224707	FVEUCCLRRGXQEO-ZDUSSCGKSA-N	370.430	2.400	10	10	FECE	
COc1cccc(CN2CCC(NC(=O)Cc3ccc(O)c(O)c3)CC2)c1	1166094495	RBXBOUAMMVGHSY-UHFFFAOYSA-N	370.449	2.430	10	10	FECE	
Oc1cccc(F)c1CNCCn1cc(I)cn1	1964069790	OFQNABYBNMUZRG-UHFFFAOYSA-N	361.158	2.122	10	10	FECE	
Cc1ccc(O)c(CNC(=O)NCc2ccc(Cn3cncn3)cc2)c1	1312788389	QXHCOWLIEDBVPL-UHFFFAOYSA-N	351.410	2.340	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(CNCc2ccc(F)c(F)c2O)CCOC1	703234853	USBJQYQIRGXGEV-KRWDZBQOSA-N	358.385	2.444	10	10	FECE	
Cc1cc(CN2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)ccc1N1CCCCC1	1196833363	RLKJFPHXAYAJSF-NHCUHLMSSA-N	355.482	2.470	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccnc(F)c1	1335585794	WYDYERYNXOKPJT-UHFFFAOYSA-N	359.401	2.371	10	10	FECE	
CCCCc1ccc(N(C)C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1	1435443485	UHMBVIKXHDGUPF-UHFFFAOYSA-N	373.478	2.490	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@H](N(C)C)C3)cc2)CC1	1455228482	XDCRATFJKVANOK-QUCCMNQESA-N	358.530	2.175	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2COCCN2CC(F)F)cc1	1290323500	CCXBNRNTSCNLHN-KRWDZBQOSA-N	369.456	2.457	10	10	FECE	
CC(C)(C)OC(=O)NC1[C@H]2CC[C@H]1CN(C(=O)c1cccc(O)c1O)C2	2118177755	FPDRQZXEXXWGAC-RYUDHWBXSA-N	362.426	2.473	10	10	FECE	
O=C1COc2cc(C(=O)NCc3c(O)cccc3F)c(Cl)cc2N1	1471975992	PIOITDVBNZFKEF-UHFFFAOYSA-N	350.733	2.446	10	10	FECE	
CNc1nc(C)ccc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	1542112713	CQNMDOOYVISUED-UHFFFAOYSA-N	358.417	2.337	10	10	FECE	
COC(=O)c1cccc(N)c1N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC	2122552698	PSOIJVKXZCDJNX-ZIAGYGMSSA-N	365.430	2.102	10	10	FECE	
COc1cccc(CNC(=O)c2coc(Sc3ncccn3)n2)c1O	1630366638	TZELRFKKNFEDJZ-UHFFFAOYSA-N	358.379	2.260	10	10	FECE	
CC(C)[C@@H](C(=O)NCc1ccc(O)cc1O)n1nnc(-c2ccccc2)n1	1630302276	WFKMHDYLFKDTIS-KRWDZBQOSA-N	367.409	2.265	10	10	FECE	
CCS(=O)(=O)c1ccc(CCC(=O)NCc2c(O)cccc2O)cc1	1635847725	SQNXVRPYGAHTRZ-UHFFFAOYSA-N	363.435	2.140	10	10	FECE	
COC(=O)[C@@H](C)CNC(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2	1631875897	XOBVYGIUCYMQOE-ZDUSSCGKSA-N	358.438	2.454	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(C(C)(C)C)n2ncnc2n1	1567464686	DCVNARIJBIWZKR-LLVKDONJSA-N	369.425	2.194	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](CC)N1CCO[C@@H](CC)C1	1568738058	YGOACBPRCLFGKK-LSDHHAIUSA-N	355.475	2.384	10	10	FECE	
C[C@H](c1ccncc1)N1CCC(NC(=O)Cc2ccc(O)c(O)c2)CC1	1632294476	OFHKKEYUYOUPIJ-CQSZACIVSA-N	355.438	2.377	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)N2CCC[C@H](CN=[N+]=[N-])C2)C1	2124536578	RVNAXRADPOCDQT-MCIONIFRSA-N	367.450	2.153	10	10	FECE	
CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2124505393	KYYLPRFIUVKIMR-UONOGXRCSA-N	368.482	2.380	10	10	FECE	
Cc1nc(-c2ccn(C)n2)sc1CC(=O)NCc1c(O)cccc1O	1647290171	OHMQPBDYNGOHHN-UHFFFAOYSA-N	358.423	2.122	10	10	FECE	
O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C\c1ccc2c(c1)OCO2	7018732	AIQAOCWPVYYIGL-ZSOIEALJSA-N	350.330	2.077	10	10	FECE	
Cc1cccc(N2C[C@@H](C(=O)NCc3c(O)cccc3O)CC2=O)c1C	1597569711	RBUHJHOFBKVINI-AWEZNQCLSA-N	354.406	2.384	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2[C@H]3C[C@@H]4CO[C@@H]2[C@H]4C3)cc1	1675198854	XLVXIOMBSBYFGR-HLULTAIVSA-N	359.470	2.196	10	10	FECE	
COCCN1CCC[C@H]1CNC(=O)NCCCSc1nccs1	153439441	IOPLKQUFPYTFFY-ZDUSSCGKSA-N	358.533	2.035	10	10	FECE	
C[C@H](N=c1nc([C@H](C)NC(=O)OC(C)(C)C)[nH][nH]1)c1ccc(O)cc1O	2130118656	GTQJZKLCVWUIQD-UWVGGRQHSA-N	363.418	2.397	10	10	FECE	
CN(CC(C)(C)CNC(=O)c1cc(O)c(O)c(O)c1)C(=O)OC(C)(C)C	2137715079	UNSHDNZSXSELLH-UHFFFAOYSA-N	368.430	2.426	10	10	FECE	
CC(C)S(=O)(=O)CCN(C)Cc1c(O)cccc1Br	1971979490	QLSUJKUYVNZRTO-UHFFFAOYSA-N	350.278	2.410	10	10	FECE	
CN(C(=O)OCc1ccccc1)C1CN(C(=O)Cc2ccc(N)cc2)C1	1977884510	KQIPSVHPCDHJPN-UHFFFAOYSA-N	353.422	2.291	10	10	FECE	
C[C@@H](N[C@@H]1COCCN(C(=O)OC(C)(C)C)C1)c1cc(O)ccc1O	2034723871	VCDLNAYPXRCWKA-OLZOCXBDSA-N	352.431	2.384	10	10	FECE	
CN[C@@H](C)c1ccc(N(C)[C@H]2CCS(=O)(=O)C2)cc1Br	300520654	VYOZRRLXHYFPHZ-JQWIXIFHSA-N	361.305	2.353	10	10	FECE	
CC1(C)[C@H](O)C[C@]1(CO)NCc1cc(Cl)cc(Br)c1O	2193970842	PSBUGVWJOLDZCE-BXUZGUMPSA-N	364.667	2.420	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H]1N(c1cc3c(cc1N)OCC(=O)N3)C2	2184068429	LYNTWWAQJAOWEJ-MNRXQERYSA-N	374.441	2.092	10	10	FECE	
COc1cccc(O)c1CN[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1OC	2058676651	OXIRFGHTXBJEBJ-CJNGLKHVSA-N	352.431	2.125	10	10	FECE	
CO[C@H]1C[C@@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2060615459	OMEKQWSPDDPEBG-AVGNSLFASA-N	353.423	2.312	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@]1(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)CCOC1	2060633422	NLXCFNFGXRZIPK-BLLLJJGKSA-N	353.423	2.314	10	10	FECE	
C[C@H]1OC2(CNC(=O)OC(C)(C)C)CC1(NCc1ccc(O)cc1O)C2	2100615761	JKZGIKRBSXQVKZ-PIHIASKNSA-N	364.442	2.402	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NC(=O)COc1ccc(N)cc1	2106233342	OIPFNRRXCPVABD-CJNGLKHVSA-N	363.458	2.457	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)[C@@H](N2CCCc3cc(CN)ccc32)C1	2109470636	VXQISRIPYSHRML-SZMVWBNQSA-N	361.486	2.315	10	10	FECE	
CN[C@H]1C(=O)Nc2cc(N(CCC(N)=O)Cc3ccccc3)c(Cl)cc21	2095890492	PGJAGIWKQJELKQ-GOSISDBHSA-N	372.856	2.435	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(CNCc2ccc(O)c(O)c2)C1	2229488820	ZNDVGKHJJJGVKV-AUUYWEPGSA-N	364.442	2.213	10	10	FECE	
O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cc([N+](=O)[O-])ccc3O)C2)nc1	173472455	HOGINTDPMMEXDV-LBPRGKRZSA-N	359.342	2.290	10	10	FECE	
[N-]=[N+]=NCCCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21	252485972	HGHJIFNOKMTXHY-MBNYWOFBSA-N	354.480	2.309	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CCS(=O)CC3)ccc(N)c2C1	306056159	RAGFPIHICHFPNR-UHFFFAOYSA-N	365.499	2.131	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H](n2cncn2)C1	175227795	KQQDOIVOCWZHDG-GOSISDBHSA-N	352.442	2.201	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(=O)Nc3nc(C)c(C)s3)CC2)cc1	192617277	RURKUOXHTBGCCY-UHFFFAOYSA-N	374.466	2.056	10	10	FECE	
CO[C@H](C)c1noc(CN(C)C(=O)NCc2ccc(N(C)C)c(F)c2)n1	81489531	VPMRHBPIURFWLV-LLVKDONJSA-N	365.409	2.324	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@@H]3C[C@@H]4OCCC[C@@H]43)CC2)cc1	251773192	KZPUSKMNWMYFNW-QRVBRYPASA-N	359.470	2.484	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3coc(/C=C/C(=O)O)c3)CC2)cc1	901608250	GERTWROUHBPKCN-VOTSOKGWSA-N	356.378	2.348	10	10	FECE	
COc1ccc(N2CCC(NS(=O)(=O)[C@@H]3CCO[C@@H](C)C3)CC2)cc1	830352341	LMWOGMILVZRTHM-KBXCAEBGSA-N	368.499	2.151	10	10	FECE	
CO[C@@]1(CN[C@H](C)c2cc3c(cc2O)CCCC3)CCS(=O)(=O)C1	903365389	MUQQKWBYUSLSQJ-FZKQIMNGSA-N	353.484	2.125	10	10	FECE	
C[C@H]1CN(c2ccc(CNS(=O)(=O)CC3(F)CC3)cc2F)C[C@H](C)O1	913943828	XQILGAREIIPFQT-STQMWFEESA-N	374.453	2.361	10	10	FECE	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2CSC(=O)N2)cc1	912107964	YXBRQYDVVXQBOV-LBPRGKRZSA-N	361.389	2.469	10	10	FECE	
Cc1ccc(O)c(CNC(=O)[C@@]2(C)C[C@@H](O)CN2C(=O)OC(C)(C)C)c1	913000444	JUUFCDNMMAQCIC-AUUYWEPGSA-N	364.442	2.077	10	10	FECE	
C[C@]1(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCCCO1	914241627	PHYKBMSVBAUUEW-LJQANCHMSA-N	365.449	2.421	10	10	FECE	
COc1ccc(O)c(CNC(=O)N[C@H]2CCC[C@@H]2Cc2cnn(C)c2)c1	853736575	GWHZSHWYYHKIMF-PBHICJAKSA-N	358.442	2.345	10	10	FECE	
Oc1ccc(F)cc1CN1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1	853249593	RREWJELPUMYDME-AWEZNQCLSA-N	359.449	2.044	10	10	FECE	
COC[C@@]1(CO)CCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1	854885949	GMPLZDZFZZPWAX-NRFANRHFSA-N	356.466	2.494	10	10	FECE	
C[C@@H](NC(=O)N1CCC(N2CC[C@@H](O)C2)CC1)c1ccc(N(C)C)cc1	854003199	GBONQFFEECRQBE-DNVCBOLYSA-N	360.502	2.054	10	10	FECE	
CC[C@H]1CN([C@@H](CC)C(=O)NCc2ccc3cccnc3c2O)CCO1	862026703	XMPBLAJGABUZKT-IRXDYDNUSA-N	357.454	2.446	10	10	FECE	
O=C(CC1CCCC1)NC1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1	768450222	JEJNFIZPQCPWAJ-IBGZPJMESA-N	374.481	2.479	10	10	FECE	
O=C1N(Cc2ccc(N3CCC(O)CC3)c(F)c2)C(=O)C23CCC(CC2)N13	865299885	RXHLQVLUKKUJEX-UHFFFAOYSA-N	373.428	2.246	10	10	FECE	
Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)o1	773289387	AQKXVVYVUFTHDH-CQSZACIVSA-N	350.440	2.464	10	10	FECE	
COc1cc(Br)cc(CN2CCN3C(=O)OCC[C@H]3C2)c1O	770391204	MIUAIVVTCMBKHV-LBPRGKRZSA-N	371.231	2.190	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCCC[C@H](CN=[N+]=[N-])C2)C[C@H](O)C1	1879106702	JYRWJJIGASGKFS-XNJGSVPQSA-N	367.450	2.344	10	10	FECE	
Cc1cc(CCNC(=O)N2C[C@@H](CO)O[C@H](C)C2)c(C)n1-c1ccccc1	786689975	PXDHMQYOVUAUML-UZLBHIALSA-N	371.481	2.428	10	10	FECE	
C=CC(=O)Nc1ccc(O)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1	1138152460	IEEFUIPPPKLZFT-NSHDSACASA-N	356.378	2.289	10	10	FECE	
CCOC(=O)[C@@H]1CC[C@H](NC(=O)N[C@@H](C)c2cc(OC)ccc2O)C1	798105023	RDDIAUYCUOCWMF-XQQFMLRXSA-N	350.415	2.493	10	10	FECE	
C[C@@H](C(=O)NCc1cc(O)ccc1O)C1CN(C(=O)OC(C)(C)C)C1	1176748538	VYNDKIPGXCHZKF-LLVKDONJSA-N	350.415	2.217	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)NCCc1c[nH]c2ccc(F)cc12	1327458895	OPDXPPMEDJQEPV-UHFFFAOYSA-N	369.396	2.330	10	10	FECE	
CC(C)C(=O)NC[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C	1345980410	LVRZZCGMOVATPF-TZMCWYRMSA-N	359.430	2.329	10	10	FECE	
CCOCc1nnc(N(C)Cc2ccccc2O)n1Cc1cc(C)nn1C	1503018597	WEHOYSOWJGBOQQ-UHFFFAOYSA-N	370.457	2.247	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc2nc[nH]c2c1F	1353615817	AVOVOJOLRFGBRS-UHFFFAOYSA-N	354.385	2.469	10	10	FECE	
C[C@H]1CCCN(c2ccc(CNC(=O)CCn3cnnn3)cc2Cl)C1	1530424589	LSMSFTFCKVJGAA-ZDUSSCGKSA-N	362.865	2.269	10	10	FECE	
Cc1ccc(N2C[C@@H](C(=O)NCCc3ccc(O)c(O)c3)CC2=O)cc1C	1566369595	MOOIQJIDRDHMHK-INIZCTEOSA-N	368.433	2.426	10	10	FECE	
O=C1C[C@@](C(=O)NCc2ccc3cccnc3c2O)(c2ccccc2)CN1	1638573448	YCEVIFQIQSDMQS-NRFANRHFSA-N	361.401	2.015	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2124509482	NPABPXSFJUNTHW-RDBSUJKOSA-N	367.450	2.296	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CC[C@@]2(CCOC2)O1	1742754847	UKNVXIMWEMGAMJ-APWZRJJASA-N	358.442	2.267	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)NCCCn1ccc(O)nc1=O	1676647221	RDIZUOHYDSYYJB-UHFFFAOYSA-N	374.441	2.057	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cccc(O)c2O)CC1(F)F	1965077175	XPEDTBUOUVBDEI-LBPRGKRZSA-N	372.368	2.472	10	10	FECE	
Cc1cc(CCNC(=O)N[C@@H](CO)[C@@H]2CCOC2)c(C)n1-c1ccccc1	1684318912	SCHRYSUWEKOWDI-QUCCMNQESA-N	371.481	2.333	10	10	FECE	
COC(=O)CCCNC(=O)CN(C)Cc1ccc(N2CCCCC2)cc1	16386769	WTVVATPUVMRAIC-UHFFFAOYSA-N	361.486	2.178	10	10	FECE	
COc1cc(C(=O)NC2=NN(c3ccccc3)C(=O)C2)cc(OC)c1OC	18019569	GLBCSQSVEDMAPC-UHFFFAOYSA-N	369.377	2.193	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)c1nc(NC(=O)c2ccc(O)c(O)c2)n[nH]1	2130120127	ZLSJOJQDUVDGMT-QMMMGPOBSA-N	363.374	2.054	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C(C)(C)C1	2132404039	OTELDUGTELZZNS-NSHDSACASA-N	366.414	2.321	10	10	FECE	
COc1ccc(CN=c2cc3n([nH]2)CCN(C(=O)OC(C)(C)C)C3)c(O)c1	2149119730	UDWVDBLFQBAHDS-UHFFFAOYSA-N	374.441	2.382	10	10	FECE	
C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)Cc1ccc(N)cc1	382710292	TWIPGDLYXIHDNI-INIZCTEOSA-N	359.495	2.305	10	10	FECE	
CCS(=O)(=O)C[C@H](C)N(C)c1ccc(CNC)c(Br)c1	2170562945	UWAUDIFORIRWLG-NSHDSACASA-N	363.321	2.428	10	10	FECE	
CCn1cc([C@H](CN)N(C)c2ccc(CNC(=O)OC(C)(C)C)cc2)nn1	2194931697	USYSFPHKPQUVHH-KRWDZBQOSA-N	374.489	2.459	10	10	FECE	
CO[C@H]1C[C@H](CNCc2cccc(O)c2O)N(C(=O)OC(C)(C)C)C1	2052355123	JPRIRPKQPFQXES-KGLIPLIRSA-N	352.431	2.212	10	10	FECE	
C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1ccc(O)c(O)c1	2054414214	NXXTUYPQXQKBDT-YPMHNXCESA-N	350.415	2.473	10	10	FECE	
CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CCOCC1	2060634657	CGHGNRQECUSLMM-LBPRGKRZSA-N	353.423	2.219	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)NCCN=[N+]=[N-])[C@H]2CCO[C@@H]2C1(C)C	2060619857	RXNXIJGVGRZYLI-MMPTUQATSA-N	353.423	2.121	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2060617625	PEGJJSISWYQYCR-FRRDWIJNSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N1CCCc2ccc(Nc3nnc(=N)[nH]n3)cc2C1	2226140685	CUJUAUNJIRQFSO-UHFFFAOYSA-N	357.418	2.106	10	10	FECE	
CCOc1cccc(C=C2SC(=S)N([C@@H](C(=O)O)[C@@H](C)O)C2=O)c1	2323823503	NGCRPCHKQMDXMZ-NOZJJQNGSA-N	367.448	2.121	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N2CCCc3cccc(OC)c32)c1	110206260	VSOBERACESYELW-CMDGGOBGSA-N	351.406	2.442	10	10	FECE	
COc1ccc(N2CCN(C(=O)Nc3nc4ccccn4n3)CC2)cc1	184397233	AHOIIIMQNRXMTB-UHFFFAOYSA-N	352.398	2.092	10	10	FECE	
CN(C)c1ccc(CN2CCN(C[C@H](O)COc3ccccc3)CC2)cc1	122671804	QUBGGLBRZGMRHS-NRFANRHFSA-N	369.509	2.310	10	10	FECE	
CCOC(=O)C1(CNC(=O)NCc2cc(Br)ccc2O)CC1	805304419	ZAOYQKOACGXKNV-UHFFFAOYSA-N	371.231	2.297	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(CC(=O)Nc3ccc(N)cc3)C[C@H]21	2162944426	IXUVFHBPWBAWLG-IAOVAPTHSA-N	374.485	2.442	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@@H](C(=O)NC(C)C)C2)c1O	827680444	NUSJBMUCFHLHAV-CYBMUJFWSA-N	351.403	2.046	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Nc3c(C)ccn(C)c3=O)C2)cc1	821817795	WZGPPFUGBGWLGH-CQSZACIVSA-N	356.426	2.103	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)N[C@H](C)C3CCCC3)C2)cc1	824934787	HAMPAQHZOSFYIJ-HZPDHXFCSA-N	373.497	2.333	10	10	FECE	
CCCn1nccc1NC(=O)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	839635409	YKGQJQMMVRLIBG-OAHLLOKOSA-N	371.485	2.353	10	10	FECE	
CNC(=O)[C@H](CNCc1ccc2c(c1)CCO2)Cc1ccc(OC)c(F)c1	842718873	YMTDPELGZAEWFD-KRWDZBQOSA-N	372.440	2.464	10	10	FECE	
CC(=O)Nc1ccc(OC[C@@H](O)CN2CCCc3cc(CN)ccc32)cc1	923285421	BPRHVPDXWLFCCD-IBGZPJMESA-N	369.465	2.296	10	10	FECE	
Nc1c(Cl)cc(N2C(=O)N[C@H](CCC3OCCO3)C2=O)cc1Cl	927217096	QEFOEPYDSLWNBR-SNVBAGLBSA-N	360.197	2.154	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCCN3C(=O)C(C)C)C2)cc1	855231361	VVEITQPUURAUMB-QFBILLFUSA-N	373.497	2.427	10	10	FECE	
Cc1cc(C)n([C@@H](C)C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)n1	920709935	PTXPOOHNTKXGIP-INIZCTEOSA-N	372.469	2.329	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)C(=O)c1ccc(F)cc1	853863243	OHSDXMNBUILDOU-UHFFFAOYSA-N	356.397	2.286	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](C)Cn3ccnc3C)C2)cc1	853589535	UOEQRMRHYXVIHL-DOTOQJQBSA-N	371.485	2.414	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H]3CCN(C)[C@@H](C)C3)C2)cc1	854298765	BBMZINRSFJLSNO-XYJFISCASA-N	360.502	2.398	10	10	FECE	
C[C@H](NC(=O)[C@H]1CCCN(C2CC2)C1=O)c1ccc(N2CCOCC2)cc1	930743079	BWZCBOWGTOXSPY-HNAYVOBHSA-N	371.481	2.101	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(S(C)(=O)=O)oc2C)c1	860241062	GGQOXWFGQWLVGQ-SECBINFHSA-N	353.396	2.197	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)c1cnc(O)s1	867408909	DRUMSSDYMABLJE-LLVKDONJSA-N	355.485	2.133	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](C)c3ccncc3)cc2)CC1	867680353	JCLVZRHXDNBRBP-MRXNPFEDSA-N	366.465	2.170	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN3CC4(C3)CC(F)(F)C4)CC2)cc1	761115259	QFFSOLMKIPLDFY-UHFFFAOYSA-N	365.424	2.075	10	10	FECE	
C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1cncs1	1119677657	XLHSUMOMZNESTL-CYBMUJFWSA-N	358.467	2.237	10	10	FECE	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@]23C[C@@H](N)C[C@@H]2C3)cc1	870861355	RNHQPJQOWCLMJP-IGGJEDBVSA-N	357.498	2.388	10	10	FECE	
CCS(=O)(=O)CCN(C)Cc1cc(C)cc(Br)c1O	781914729	ZAQMYAYDQFSEHI-UHFFFAOYSA-N	350.278	2.330	10	10	FECE	
Oc1c(F)cc(Br)cc1CN1CCN(c2cccnn2)CC1	893986792	CXZRTGHOECRFRR-UHFFFAOYSA-N	367.222	2.406	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@]3(c4ccccc4)C[C@H](O)C3)C2)cc1	1146950266	LUNCPDZUSJOSJA-JUXOCIIHSA-N	366.461	2.483	10	10	FECE	
OCCN[C@@H]1CCCN(Cc2cc(Cl)cc(Br)c2O)C1	708133137	HWDVJGMXCFLKGY-GFCCVEGCSA-N	363.683	2.354	10	10	FECE	
CO[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3cc(C(C)C)c(C)cc3O)C[C@@H]12	1328027953	XNZYHYIJSWFILG-JQHSSLGASA-N	353.484	2.068	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)NC[C@@]3(C)CC3(C)C)CC2)cc1	1332827019	UKZKSSFFHGOENJ-OAQYLSRUSA-N	373.497	2.333	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)NC1CC2(C1)CC2(F)F	1261725491	ZXTKQVSZFXRVBA-UHFFFAOYSA-N	352.381	2.435	10	10	FECE	
C[C@@H](NC(=O)C(=O)NC1CCC=CCC1)c1ccc(N2CCOCC2)cc1	1353665072	VIQLQNKBGCOFCH-MRXNPFEDSA-N	371.481	2.315	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@H](CO)Cc2cnn(C)c2)c1	1299615093	UNJJQVUPNQNTSR-SFHVURJKSA-N	366.465	2.469	10	10	FECE	
COc1ccc(CNC(=O)c2cnn(Cc3ccccc3)c2N)c(O)c1	1467471825	ULGLINWARFCNTH-UHFFFAOYSA-N	352.394	2.158	10	10	FECE	
CN(CCC1CN(C(=O)OC(C)(C)C)C1)C(=O)COc1ccc(N)cc1	2120423479	RXKNJBNWRRRSDD-UHFFFAOYSA-N	363.458	2.363	10	10	FECE	
COc1ccc(C)cc1CN1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1	1540503274	CBLGNWSTLVIVSK-UHFFFAOYSA-N	370.449	2.302	10	10	FECE	
CN(C)c1n[nH]c(C2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC2)n1	1556579937	UFDIVXDDUKJWJG-UHFFFAOYSA-N	370.417	2.053	10	10	FECE	
CCN1CCC[C@@H](NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1=O	1636267715	SOKHKFXVUXAYBW-MAUKXSAKSA-N	360.502	2.302	10	10	FECE	
Nc1ncc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1[N+](=O)[O-]	1630351341	MIJADTUMXVPYLY-UHFFFAOYSA-N	373.438	2.055	10	10	FECE	
CCn1c(=O)n(CC(=O)NCc2cccc(Cl)c2O)c2ccccc21	1647827101	XFBPBAAAIIUHCD-UHFFFAOYSA-N	359.813	2.498	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2124507052	FAFGOWXJLNPMLR-ZIAGYGMSSA-N	366.466	2.229	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(C)C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2124531503	DOKYLBJHAVTTLV-OGHNNQOOSA-N	367.450	2.465	10	10	FECE	
COCCN1CCC[C@@H]1CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	163444052	UCNBUNZJJGMDOY-FUHWJXTLSA-N	365.493	2.424	10	10	FECE	
O=C(CNCc1cc(Cl)ccc1O)Nc1nnc([C@@H]2CCCO2)s1	1857856282	PMXMCQIIMQXNNH-LBPRGKRZSA-N	368.846	2.477	10	10	FECE	
CCS(=O)(=O)N(C)Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)C2	1901349171	VLNIWBBAOWBSPE-UHFFFAOYSA-N	362.477	2.002	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](NCc3ccc(O)cc3O)CO2)C1	2137113397	WPOMIVPXOPPCHL-LIRRHRJNSA-N	364.442	2.356	10	10	FECE	
N[C@@]1(c2cc(Br)cc(Br)c2O)C[C@H]1C(=O)O	1952775203	NVLFHBIPZVBKLX-QUBYGPBYSA-N	350.994	2.176	10	10	FECE	
CN(Cc1cc(Br)cc(F)c1O)C1CC(S(C)(=O)=O)C1	715786665	RUDFQRFIEGFTPO-UHFFFAOYSA-N	366.252	2.301	10	10	FECE	
CC(C)(C)OC(=O)NCCCNC(=O)c1ccn(-c2ccc(N)cc2)n1	387701678	LIKNXUZJZKGAEF-UHFFFAOYSA-N	359.430	2.099	10	10	FECE	
CNCc1ccc(N(C)CC2(S(C)(=O)=O)CC2)c(Br)c1	2167828824	WKXMSUHDHIDIFF-UHFFFAOYSA-N	361.305	2.182	10	10	FECE	
C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1ccc(CN)c(Br)c1F	2170629427	DWCLBLHDEVHUHF-DTWKUNHWSA-N	367.284	2.305	10	10	FECE	
CCOC[C@](O)(CNC(=O)OC(C)(C)C)c1ccc2c(c1)CCN2C	2044708828	QJZZLCQEDAGCDL-LJQANCHMSA-N	350.459	2.428	10	10	FECE	
Nc1ccc(CC(=O)N2CC[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)cc1	2185512757	NMZTVVXLZHASPR-SFTDATJTSA-N	365.477	2.313	10	10	FECE	
C[C@H](NC(=O)c1ccc(O)c(O)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	2054412075	DLEZVINPWORBMR-WCQYABFASA-N	350.415	2.473	10	10	FECE	
C[C@@H]1C[C@H](CNC(=O)c2cccc(O)c2O)CN1C(=O)OC(C)(C)C	2054420358	RUYCVQWXVLYSII-VXGBXAGGSA-N	350.415	2.473	10	10	FECE	
C[C@@H]1COC[C@H](C(=O)NCc2ccccc2O)N1C(=O)OC(C)(C)C	2060139502	XSYYLZFNOJETGS-TZMCWYRMSA-N	350.415	2.033	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COCC[C@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2060633912	SWNKKFLZQYXJBW-CHWSQXEVSA-N	353.423	2.218	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN([C@@H](CN)c2ccc(N(C)C)cc2)C1	2194911363	XCOUSXBLKSNZIR-INWMFGNUSA-N	372.435	2.141	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](CNCc2ccc(O)c(O)c2)C[C@H]2OCC[C@@H]21	2090474001	VCCSDAKCPZDNEE-GRDNDAEWSA-N	364.442	2.354	10	10	FECE	
C[C@H]1O[C@]2(C(=O)N3CC[C@H](N=[N+]=[N-])C3)C[C@@]1(NC(=O)OC(C)(C)C)C2	2254811210	MYAUXFLWBCVCSK-OXUXUCFPSA-N	351.407	2.112	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@]12CO[C@@H](C1)[C@H](NC(=O)OC(C)(C)C)C2	2254828725	LQOPOMNMPOTVIR-BFQNTYOBSA-N	353.423	2.218	10	10	FECE	
COCCCN1C(=O)C(=Cc2ccccc2[N+](=O)[O-])C(C(=O)OC)=C1C	2294028574	XFVDDZLJTFNYFU-UHFFFAOYSA-N	360.366	2.304	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1	2288269269	ZXWIWGNLPCUSJR-MNVSYLFESA-N	374.485	2.442	10	10	FECE	
Cc1cccc(N2C(=O)NC(=O)/C(=C\Nc3cccc(C(=O)O)c3)C2=O)c1	101642402	AKSAIBWGYOACTR-XNTDXEJSSA-N	365.345	2.272	10	10	FECE	
Cc1cc(N2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)n[nH]1	189718477	NZPAPVOIDRIAGX-UHFFFAOYSA-N	368.485	2.350	10	10	FECE	
C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1	191972001	VNQMUAJWYAUAPQ-ZDUSSCGKSA-N	355.442	2.175	10	10	FECE	
CN(Cc1ccccc1O)C(=O)c1cnn2cc(Br)cnc12	92602107	XLFAILTWSBUKFG-UHFFFAOYSA-N	361.199	2.470	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc(NC4CC4)ncn3)CC2)cc1	244513131	ZNZUCKDPDHHCSG-UHFFFAOYSA-N	353.426	2.022	10	10	FECE	
COC(=O)[C@@H]1C[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	245404406	PCMXLQSQROQIPY-FGTMMUONSA-N	360.454	2.069	10	10	FECE	
Cc1nc(N)sc1N=Nc1cccc(S(=O)(=O)N2CCOCC2)c1	254554870	HDHOXFPRABXWFJ-UHFFFAOYSA-N	367.456	2.470	10	10	FECE	
Cc1cc(/C=C/C(=O)N2CC[C@H](NC(N)=O)C2)c(C)n1-c1ccccc1	270659530	QHBQMPVSRBAGGS-IJDCCNJMSA-N	352.438	2.377	10	10	FECE	
COc1ccc(O)c(CNC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c1	377669083	NMJXBHLBFCMRII-MRXNPFEDSA-N	355.394	2.006	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCNC(=O)CC1	815797261	IWNSRNOQYCHHQJ-LLVKDONJSA-N	369.259	2.420	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@@H](O)CC12CCC2	817156141	GSTARUQPCLHYHO-GOSISDBHSA-N	359.470	2.112	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3C(F)(F)F)cc2)C1	822660562	QYQDLASTEQSYGP-NWANDNLSSA-N	369.387	2.203	10	10	FECE	
CC[C@H](NC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@@H](O)C(F)F	824682384	ZHHPIEZCWAJJFJ-VBNZEHGJSA-N	371.428	2.225	10	10	FECE	
Cc1c(C[C@H](CN)CN(Cc2ccccc2O)C[C@H]2CCCO2)cnn1C	903906087	RMBVIVSOPAAGMY-YLJYHZDGSA-N	372.513	2.233	10	10	FECE	
Cc1nnc(CCNC(=O)Cc2cc(C)n(-c3ccccc3)c2C)n1C	834301072	JHNOMKHOWVNJKG-UHFFFAOYSA-N	351.454	2.432	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCN([C@H]3CCNC(=O)CC3)CC2)cc1	835053887	FUWYRDGJPKYCRA-HZQHCPKGSA-N	356.514	2.052	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)C2)cc1	849416349	PLEWLDYHXJSIFP-XHSDSOJGSA-N	367.515	2.086	10	10	FECE	
CC(C)N(C[C@H]1CCC(=O)N1)C(=O)NCc1ccc(N2CCCC2)cc1	840260044	VCBWVGSZAMPJRA-QGZVFWFLSA-N	358.486	2.485	10	10	FECE	
C[C@H](O)CNc1cc(NCc2cc(Br)ccc2O)ncn1	840306867	YFLHIAWLGLIWJN-VIFPVBQESA-N	353.220	2.350	10	10	FECE	
CC(C)(C)OC(=O)C1(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1	845270746	YXBARQUKFILTMF-UHFFFAOYSA-N	360.454	2.261	10	10	FECE	
CC(C)C[C@H]1C(=O)N(Cc2ccc(N3CCN(C)CC3)cc2)C(=O)N1C	925079690	MZOQOMAQHYVQFH-SFHVURJKSA-N	358.486	2.247	10	10	FECE	
Cc1cnc(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c(C)c1	929524443	SGVAYKBQEZASSC-UHFFFAOYSA-N	366.465	2.231	10	10	FECE	
COc1ccc(N2CC[C@@H](CN3C(=O)N4CCC[C@@H]5C[C@@]54C3=O)C2)cc1	924948920	INNMPTQTORZINH-SXGZJXTBSA-N	355.438	2.338	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC[C@H]2CN(Cc3ccncc3)CCO2)c1	858565430	PKUGWBNDPVTFRJ-QAPCUYQASA-N	357.454	2.347	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3ccc(F)c(C)c3)C2)cc1	850535952	FDDRHEUPXPYGJD-OAHLLOKOSA-N	371.412	2.476	10	10	FECE	
COC1CCN(c2ccc(CN3CCC(N4CC[C@@H](O)C4)CC3)cc2)CC1	852708041	OWSVHFFDUQBRDK-OAQYLSRUSA-N	373.541	2.333	10	10	FECE	
O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1OCCO[C@@H]1C(F)(F)F	866769669	OCLAKYYNHWHIAH-CABCVRRESA-N	359.344	2.234	10	10	FECE	
COc1cccc(C[C@@H]2NC(=O)N(Cc3ccc(N(C)C)cc3)C2=O)c1	863500024	NIVMPCXXBHCMGI-SFHVURJKSA-N	353.422	2.424	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CCn2cc(C)nc2C1	862040032	XZAZFCMNGIGNCO-OAHLLOKOSA-N	371.437	2.051	10	10	FECE	
CNS(=O)(=O)C[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1	862550684	GTCOFBPNEUHEOA-SFHVURJKSA-N	365.543	2.438	10	10	FECE	
Cc1cc(C(=O)NCCc2nnnn2C)c(C)n1-c1ccc(Cl)cc1	772875580	GDQPWMCERUBMLI-UHFFFAOYSA-N	358.833	2.244	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cc3cc(C4CC4)no3)CC2)c(OC)c1	870166418	NJAYWCXTZKRNLV-UHFFFAOYSA-N	371.437	2.461	10	10	FECE	
CCOC(=O)[C@H](CCOC(C)(C)C)NC(=O)/C=C\c1ccc(O)c(O)c1	779544351	LITKVIGPHBTVJG-LEJCZOIISA-N	365.426	2.364	10	10	FECE	
O=C1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CN1CC(F)(F)F	897556369	NTSZKAVWWBJJOS-UHFFFAOYSA-N	360.313	2.117	10	10	FECE	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2C[C@@H]3CC[C@H]2N3)cc1	1343524584	AWNRJDQEDWGMGR-IJXRJRJASA-N	357.498	2.401	10	10	FECE	
CC1(C)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1N1CCOCC1	1300189671	UYCAUGMJFFZRJG-HUUCEWRRSA-N	359.430	2.078	10	10	FECE	
CCOC(=O)c1cc(CNC(=O)NCc2cccc(Cl)c2O)on1	1313178647	JZEJUWRFRXTXMO-UHFFFAOYSA-N	353.762	2.210	10	10	FECE	
Cn1ccnc1C(NC(=O)NCc1cccc(Cl)c1O)c1nccn1C	1253263524	RRUQKPOODHHFCI-UHFFFAOYSA-N	374.832	2.101	10	10	FECE	
CCc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1C[C@@H](C)OC	1513790762	UWCSSJNNPXZBMF-MRXNPFEDSA-N	373.501	2.348	10	10	FECE	
COc1cc(N2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)c([N+](=O)[O-])cc1OC	1458615935	FWWHKNSOKHDYOU-APPDUMDISA-N	365.386	2.327	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-n2ccnn2)ccc1F	1611431828	SZBUZWLTDZFTMQ-NSHDSACASA-N	356.357	2.179	10	10	FECE	
COC(=O)[C@](C)(CO)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C	1556975836	WXAWNVFWWOIJHY-SFHVURJKSA-N	364.829	2.401	10	10	FECE	
CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)c(F)c1	1728392463	JJUSAJVDKDCNGN-OAHLLOKOSA-N	374.464	2.329	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2124503915	RIQSIWCVJSNCRK-YPMHNXCESA-N	363.422	2.004	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCC[C@H](N=[N+]=[N-])C2)C[C@@H]2OCC[C@H]21	2124503467	LLLQKKVXEMIPGU-CRWXNKLISA-N	365.434	2.455	10	10	FECE	
COc1ccc(OC)c([C@@H]2CC(=O)NC(NC(=O)c3ccccc3F)=N2)c1	15679137	COCUKWYDDMMTBG-HNNXBMFYSA-N	371.368	2.190	10	10	FECE	
Cc1cc(NC(=O)[C@@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)no1	16387292	JFFHVSQEZLVCEF-OAHLLOKOSA-N	358.442	2.279	10	10	FECE	
CCOC(=O)C(C)(C)C(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C	1866177800	OTLVZQQZAYXOQV-INIZCTEOSA-N	372.469	2.281	10	10	FECE	
CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1	2132393111	PTZCGALQAFSHLD-UHFFFAOYSA-N	366.414	2.275	10	10	FECE	
C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1	2132348037	CJDJBHLOCVZTRN-BBRMVZONSA-N	356.422	2.444	10	10	FECE	
C[C@H](O)c1ccc(N2CC[C@H](CS(C)(=O)=O)C2)cc1Br	2143670636	FJALHQIXSVSFJH-QWRGUYRKSA-N	362.289	2.373	10	10	FECE	
O=C(O)c1cc(S(=O)(=O)Nc2ccc(O)cc2)c(Br)o1	55329568	MSPJNSFNJHQZPB-UHFFFAOYSA-N	362.157	2.247	10	10	FECE	
O=S1(=O)[C@H]2CC[C@H]1CN(Cc1cc(Br)ccc1O)CC2	529674627	PTHDRFDBDWWLJM-STQMWFEESA-N	360.273	2.306	10	10	FECE	
CNCc1ccc(N(C)C2CC(S(C)(=O)=O)C2)cc1Br	716103906	WMAPXDIRWGHYIW-UHFFFAOYSA-N	361.305	2.180	10	10	FECE	
COc1cccc(Cn2ncc(OC)c2I)c1O	2070309233	HSRRYALBUOIRNI-UHFFFAOYSA-N	360.151	2.259	10	10	FECE	
Cc1ccc(O)c(CNC[C@@H]2C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c1	2052657485	AIOLDTZEFXHVLN-LXZKKBNFSA-N	350.459	2.454	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2060637749	OGLUVFXPUCLFHE-ZDUSSCGKSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C1	2060635985	RXYKZDRFOHQDOG-GFCCVEGCSA-N	353.423	2.314	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)COc1ccc(N)cc1	2106233535	PIRCRZQWVYENPX-XJKSGUPXSA-N	363.458	2.409	10	10	FECE	
CN1CCc2cc([C@H](O)[C@H]3CN(C(=O)OC(C)(C)C)CCN3C)ccc21	2106795222	FJVVSOWDHKLILK-MSOLQXFVSA-N	361.486	2.263	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)C1(O)CC(NC(=O)OC(C)(C)C)C1	2106852801	JXWMEEXETBLMCK-RYZJOYRSSA-N	361.486	2.358	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](O)([C@@H](N)c2ccccc2O)C(F)(F)C1	2316749801	NUKHBKXHSHMKTG-BBRMVZONSA-N	358.385	2.399	10	10	FECE	
C[C@@H](CC(=O)N1CCc2cc(O)c(O)cc2C1)NC(=O)OC(C)(C)C	2318653250	DCCLORSQEHJUPB-NSHDSACASA-N	350.415	2.286	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2OCC[C@@]2(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2335136371	SDAHAEBXFKGLQI-IPJQOSJUSA-N	365.434	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@@H](NCc3ccc(O)cc3O)CO2)C1	2337156960	NIDDGKXHCXYHCM-CQSZACIVSA-N	364.442	2.356	10	10	FECE	
Cc1nc(C)n(C[C@H]2CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)n1	181093708	WQEOLVRBKMHJGB-BVBGJJFLSA-N	356.426	2.258	10	10	FECE	
O=C(CNC(=O)c1cc2c(s1)CCCC2)NCCc1ccc(O)c(O)c1	122625679	IUGSLCLNMLSKPU-UHFFFAOYSA-N	374.462	2.127	10	10	FECE	
C[C@@H]1CN(C(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)C[C@@H](C)O1	246307001	VXCYUQRZGXACIV-JFIYKMOQSA-N	362.470	2.009	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1O	366791232	CGSGBBDQLUSZIE-LXIYXOSZSA-N	366.414	2.467	10	10	FECE	
CO[C@@H](C)[C@@H](C)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	811960336	UQCYNLCSRUDAAU-SJORKVTESA-N	374.529	2.441	10	10	FECE	
O=C(c1cc2c(cn1)OCCO2)N(Cc1ccccc1O)C[C@@H]1CCCO1	819420246	SOWDNBRZWLVRGV-HNNXBMFYSA-N	370.405	2.380	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Nc3ccc4c(c3)nnn4C)C2)cc1	823859067	VZKQTVRJTZOTKH-AWEZNQCLSA-N	366.425	2.377	10	10	FECE	
O=C(O)/C=C\c1ccc(N2CCC([C@@H](O)c3ncc[nH]3)CC2)c([N+](=O)[O-])c1	844213775	LXJIUNRUWDNBIN-POKLJVKSSA-N	372.381	2.366	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)[C@@H](CN)c2ccc(F)cc2)cc1	846697319	NSRILBCWRRNJPC-IBGZPJMESA-N	359.445	2.471	10	10	FECE	
CNCc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	841092337	CQJUHYXEIOWAIM-AWEZNQCLSA-N	354.454	2.288	10	10	FECE	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)c1	848557138	FMUHWYCBUVZZNW-APIJFGDWSA-N	350.459	2.327	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccnn3CC(F)F)C2)cc1	855224750	KXDDALWEQPUUPT-LBPRGKRZSA-N	350.369	2.166	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](CO)c3ccc(F)cc3)C2)cc1	852449640	VKHVTXSMVVKNNK-APWZRJJASA-N	373.428	2.446	10	10	FECE	
C[C@@H]1CCc2nc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)cn2C1	857917877	LHAAETWQMMNCJP-CQSZACIVSA-N	372.444	2.371	10	10	FECE	
CCN(C)c1ccc([C@H](C)NC[C@@]2(CO)COCC3(CCC3)N2C)cc1	858465302	CHDSYVKGGJQFJU-LAUBAEHRSA-N	361.530	2.409	10	10	FECE	
COC(=O)C1(C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC2(CCC2)C1	854198267	GINDMULASBVIGX-UHFFFAOYSA-N	372.465	2.467	10	10	FECE	
CO[C@H](C(=O)NCc1cc(NC(=O)[C@@H](OC)C(C)C)ccc1O)C(C)C	923120311	PLXMLPVBDWMYNN-IRXDYDNUSA-N	366.458	2.289	10	10	FECE	
COc1ncc(/C=C\C(=O)N2C[C@H](N(C)C)CCc3ccccc32)cn1	857926563	HTGKAGCKYICXRQ-SDMNGIDPSA-N	352.438	2.408	10	10	FECE	
CO[C@@H]1CCC[C@H]([C@H](CO)NCc2ccc(N3CCOCC3)c(F)c2)C1	850353451	DDEIZAWJYKQILM-SCTDSRPQSA-N	366.477	2.318	10	10	FECE	
CC(=O)N1CCCc2cc(S(=O)(=O)N3Cc4cccc(O)c4C3)ccc21	867691320	ZMIYPXXFUOFVHO-UHFFFAOYSA-N	372.446	2.396	10	10	FECE	
C[C@@H](O)c1ccc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)nc1	865455636	LAHSSZIIWMHOND-RHSMWYFYSA-N	354.454	2.449	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCOC(=N)O)C1	768181507	YXSLYWVWEOUDEJ-UHFFFAOYSA-N	358.442	2.033	10	10	FECE	
CO[C@H]1CCN(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1	769034323	MKXQMCNPDKVIFI-FQEVSTJZSA-N	372.513	2.149	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N[C@@H]1C[C@@H]2CCC[C@H]21	1119799546	XKKXBGNYDRPDGZ-CGTJXYLNSA-N	373.522	2.161	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCN(C2CCC2)C1=O	1118858806	VOFCHZVWKUWVNZ-SFHVURJKSA-N	356.470	2.239	10	10	FECE	
CCOC[C@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	777694798	IQIAXQXNCSOZJJ-ZDUSSCGKSA-N	353.438	2.011	10	10	FECE	
O=S1(=O)CCC[C@]12CCN(c1ccc(CO)c(Br)c1)C2	709029982	XKLFFLTYGTYKKO-CQSZACIVSA-N	360.273	2.099	10	10	FECE	
Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)NCCc1ccc(N)cc1)[C@H](C)C2	1333542446	KOZCMYJNPNVJGT-KUHUBIRLSA-N	351.450	2.286	10	10	FECE	
C[C@@H](NC(=O)C(=O)NC[C@H]1CC2(CCC2)CO1)c1ccc(N(C)C)cc1	1331759844	MIOQAVQOZNSCHD-RHSMWYFYSA-N	359.470	2.005	10	10	FECE	
COc1ccc(F)cc1CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	1342637485	YWFSPZVFOZOKOA-CYBMUJFWSA-N	373.428	2.394	10	10	FECE	
C[C@H](NC(=O)N1CCC([C@@H](F)C(N)=O)CC1)c1ccc(N(C)C)cc1	1519306950	AXRNPDNSDCQWHH-BLLLJJGKSA-N	350.438	2.059	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@]3(C)CC(C)(C)OC3=O)C2)cc1	1519458263	XTDVOFOAJBIDPQ-ORAYPTAESA-N	361.442	2.057	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCN[C@H](c3ccc(O)cc3)C2)cc1	1641820327	LLTBRCGSLYFHEQ-INIZCTEOSA-N	353.382	2.341	10	10	FECE	
Cn1ncc(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)c1I	1912142905	CVZQAPQJQPOWIC-MRVPVSSYSA-N	374.186	2.187	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1	2126923438	ZOTRWXCACIMQII-BFUOFWGJSA-N	364.442	2.284	10	10	FECE	
CC[C@H](CN1CCOCC1)NC(=O)N(CC)Cc1ccc(N(C)C)cc1	1687658166	KLCBEHSCGDWENK-GOSISDBHSA-N	362.518	2.395	10	10	FECE	
COC(=O)[C@@H](C)N1C(=O)/C(=C\c2ccc(OC)cc2OC)SC1=S	6098169	ZCGQKLANJUPDAH-MRACZJACSA-N	367.448	2.467	10	10	FECE	
C[C@H]1[C@@H](C)N(C(=O)c2cc(O)c(O)c(O)c2)CCN1C(=O)OC(C)(C)C	2132405361	YVDRVIMNYFWDNO-MNOVXSKESA-N	366.414	2.273	10	10	FECE	
CC(C)(C)OC(=O)NCC1(CO)CCN(CCc2ccc(N)cc2)CC1	2138142622	FBHQSZQBTRWBEY-UHFFFAOYSA-N	363.502	2.411	10	10	FECE	
CN(C)Cc1cc(CC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)ccc1O	1951703944	XFLSXMLBQDGNQA-CQSZACIVSA-N	352.431	2.364	10	10	FECE	
O=S1(=O)CC[C@H]1CNCc1cc(Cl)cc(Br)c1O	1972340427	WGQJIBZENGFGOX-VIFPVBQESA-N	354.653	2.085	10	10	FECE	
CN(Cc1ccns1)c1cc2c(cc1Br)[C@@H](N)C(=O)N2	404483816	VBGRIKDXWLDIFJ-GFCCVEGCSA-N	353.245	2.494	10	10	FECE	
O=C(NCC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(O)c(O)c1	311704132	SRUJZLOGPPHEIJ-KRWDZBQOSA-N	356.422	2.119	10	10	FECE	
C[C@@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1ccc(O)c(O)c1	2054412267	FTOMCZQIUDSWHJ-NSHDSACASA-N	350.415	2.425	10	10	FECE	
CO[C@H](C(=O)N1CC[C@@H](CN=[N+]=[N-])C1)C1CN(C(=O)OC(C)(C)C)C1	2060634448	ZSSKCFZKQYMGMD-AAEUAGOBSA-N	353.423	2.027	10	10	FECE	
CO[C@H](CCNC(=O)OC(C)(C)C)C(=O)N1CCC(CN=[N+]=[N-])CC1	2060610883	MUKUUJCWHYJMMT-CYBMUJFWSA-N	355.439	2.465	10	10	FECE	
COC(=O)CCN1C(=O)C(=Cc2ccccc2[N+](=O)[O-])SC1=S	2293139924	PHYVBVOYMYVMRF-UHFFFAOYSA-N	352.393	2.359	10	10	FECE	
COc1cc(C=C2SC(=S)NC2=O)cc([N+](=O)[O-])c1OC(C)=O	2296736239	KQHAMBYKDNOGSC-UHFFFAOYSA-N	354.365	2.018	10	10	FECE	
Cc1ccc2c(c1)C(=C1SC(=S)N(CCCC(=O)O)C1=O)C(=O)N2	2314761306	RVTJIQHVSHJNBG-UHFFFAOYSA-N	362.432	2.383	10	10	FECE	
CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N(CC)CCN=[N+]=[N-]	2315986964	LHHBAPFWRJFELZ-CHWSQXEVSA-N	355.439	2.417	10	10	FECE	
Cc1cnn(CCNC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c1	175363311	AZPHBDFZOQAKQK-UHFFFAOYSA-N	359.385	2.397	10	10	FECE	
COc1ccc(OC[C@@H](O)CN2CCOc3cc(N(C)C)ccc32)cc1	175024508	PJLSXWBRBAFFEE-INIZCTEOSA-N	358.438	2.400	10	10	FECE	
CC(C)(C)CC(=O)NCC(=O)NCc1cc(Br)ccc1O	804734250	GPXXHFBTTLSPOF-UHFFFAOYSA-N	357.248	2.323	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@H](C(=O)NC(C)C)C2)c1O	827687257	NUSJBMUCFHLHAV-ZDUSSCGKSA-N	351.403	2.046	10	10	FECE	
CC(=O)N[C@H](C(=O)NCc1cc(Br)ccc1O)C(C)(C)C	831936815	GXCQEPIMEKOZNC-CYBMUJFWSA-N	357.248	2.322	10	10	FECE	
C[C@H]1CCN(c2cc(C(=O)NC[C@H](N)c3ccc(N(C)C)cc3)ccn2)C1	832266302	DPUMRFFIXUBEKV-KXBFYZLASA-N	367.497	2.424	10	10	FECE	
CN(C)C(=O)[C@@H]1CCCN1CCCNC/C=C\c1ccc(N(C)C)cc1	835038702	YDGWUBYUQBTRDA-VORVDVFJSA-N	358.530	2.298	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@H]1C[C@@H](N(C)C)C1	847408648	BXAYMJUXTCGVIR-IZAXUBKRSA-N	360.502	2.005	10	10	FECE	
CO[C@H](CNC(=O)c1csc(Cc2ccc(N)cc2)n1)[C@H]1CCOC1	851639937	NGZSVMBQBNJMIL-XJKSGUPXSA-N	361.467	2.097	10	10	FECE	
CCN(CC)c1ccc(CN2C(=O)N[C@H]([C@H](O)c3ccncc3)C2=O)cc1	924486216	DSHDXWVTOFJSRH-QZTJIDSGSA-N	368.437	2.082	10	10	FECE	
CN(C)c1ccc(CNC[C@H]2CN(Cc3ccncc3)CCO2)cc1F	858306301	LJDHQARLPBMBQI-SFHVURJKSA-N	358.461	2.277	10	10	FECE	
COc1cc(Br)cc([C@H](C)N[C@@H]2CCN(C(C)=O)C2)c1O	857084366	OLJYIDDXSBGAFR-JOYOIKCWSA-N	357.248	2.435	10	10	FECE	
O=C(NCC[S@@](=O)CC(F)(F)F)NCc1cc(Cl)ccc1O	852455098	LPWITRIOKAVKFQ-JOCHJYFZSA-N	358.769	2.156	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c[nH]nc1[C@@H]1CCCO1	864634252	ILAKXEQBALDRJS-SFHVURJKSA-N	370.453	2.370	10	10	FECE	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1[C@@H]2C[C@@H]3[C@@H]1OC[C@@H]3C2	865315061	HFUHPDPXHOVPEY-ULGMVLEISA-N	362.813	2.233	10	10	FECE	
CCOC(=O)[C@@H]1c2ccoc2CCN1C(=O)/C=C\c1ccc(O)c(O)c1	862683406	BLDRUSZTUCBDFY-SUZKBHRPSA-N	357.362	2.393	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1nc(-c2ccncc2)no1	773763402	VFOIREWIECYOSX-GFCCVEGCSA-N	368.393	2.223	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCCN(C(=O)C2CC2)CC1	897493167	SPWRCRVBPPFZMX-UHFFFAOYSA-N	360.435	2.397	10	10	FECE	
COc1cc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)ccc1O	797819776	SBYWEFUIRFXCNC-UHFFFAOYSA-N	366.370	2.225	10	10	FECE	
NC(=O)c1ccc(OCC(=O)NCc2c(O)ccc3ccccc23)cc1	1157041297	CANWSDGXSICDJM-UHFFFAOYSA-N	350.374	2.340	10	10	FECE	
O=C(NCc1ccc(F)cc1)C(=O)NCc1ccc2cccnc2c1O	1162607229	LIHBKMZXLGBRMK-UHFFFAOYSA-N	353.353	2.012	10	10	FECE	
Cc1ccc(O)c(CNC(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)c1	1312874191	FVEYVRFRAOFORO-MRXNPFEDSA-N	357.385	2.444	10	10	FECE	
C[C@@H](O)CN(c1nnc(-c2sccc2O)n1C[C@H]1CCOC1)C1CC1	1349323012	ASKRMWMHBLSDOQ-VXGBXAGGSA-N	364.471	2.098	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H](OC2CCC2)CC1	1351956797	SSPGQBKFSHORST-QGZVFWFLSA-N	360.454	2.301	10	10	FECE	
NC(=O)CCSCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	1459205219	HCIXMANOLRSVOV-UHFFFAOYSA-N	368.414	2.009	10	10	FECE	
CNc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)nc1	1465395049	LWPLLGGMHYFOLY-UHFFFAOYSA-N	354.454	2.262	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1cccc(C(=O)N2CCSCC2)c1	1544315722	SMHQXLUOUBTFLS-UHFFFAOYSA-N	372.446	2.468	10	10	FECE	
C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C1(S(C)(=O)=O)CC1	1627287105	HPAXUIWSIROQOM-MRVPVSSYSA-N	355.437	2.008	10	10	FECE	
Cc1nnc(N2C[C@H](C)O[C@H](C)C2)n1Cc1ccc(N2CCOCC2)cc1	1492976445	XMWKQZSBGMSZMC-IYBDPMFKSA-N	371.485	2.085	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCc2nccn2C1	1726357591	NKDQGQOVTJANKW-HNNXBMFYSA-N	352.442	2.388	10	10	FECE	
O=C(Cc1csc(-c2nc[nH]n2)n1)NCc1ccc2cccnc2c1O	1638572949	BYMPQFPJFJYIIL-UHFFFAOYSA-N	366.406	2.041	10	10	FECE	
CC[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H](O)C(C)C	1565453217	VABLRRRJZYQJCO-OTWHNJEPSA-N	364.534	2.450	10	10	FECE	
C[C@@H](CN[C@H](C)c1ccc(N2CCC(O)CC2)cc1)CN1CCOCC1	153115401	OBAVMEADLHCBTE-ZWKOTPCHSA-N	361.530	2.267	10	10	FECE	
CCCOC(=O)CN1C(=O)/C(=C2\C(=O)Nc3ccccc32)SC1=S	1809450	HVZLFFZETBENGX-OUKQBFOZSA-N	362.432	2.163	10	10	FECE	
CCOc1cccc(/C=C2/SC(=S)N(CCNC(C)=O)C2=O)c1	1858587304	USUHPDDYOHJQPD-GXDHUFHOSA-N	350.465	2.423	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C)CCCN(C(=O)c2cc(O)c(O)c(O)c2)C1	2132393325	SXOKLOXENVGUKA-SFHVURJKSA-N	366.414	2.323	10	10	FECE	
C[C@@H](O)CN(Cc1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	1914667888	PVNIHVLEABLDHG-GFCCVEGCSA-N	357.366	2.313	10	10	FECE	
CN(C)c1ccc([C@](C)(O)[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1	1917208891	JXUGSYSOCAMGNI-PXNSSMCTSA-N	372.421	2.340	10	10	FECE	
COc1ccc(O)c([C@H](C)N[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c1	1918713130	CNIHKILRSQKGOS-STQMWFEESA-N	366.458	2.422	10	10	FECE	
CNCc1ccc(N2CC[C@H](CS(C)(=O)=O)C2)c(Br)c1	2143669062	APNYDJIMJHEYOY-LBPRGKRZSA-N	361.305	2.039	10	10	FECE	
C[C@H](N)c1ccc(N2CC[C@H]3CS(=O)(=O)C[C@H]32)c(Br)c1	2151276212	RQQOOYLATXGBDR-NURSFMCSSA-N	359.289	2.092	10	10	FECE	
C[C@@H](CN(C)C(=O)OC(C)(C)C)N(C)C(=O)COc1ccc(N)cc1	2049141815	YVNQGFNMCPOKST-ZDUSSCGKSA-N	351.447	2.361	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C(F)(F)C1	2049785239	XWPHQEYBGUKUQT-IJLUTSLNSA-N	360.401	2.144	10	10	FECE	
CO[C@@H]1C[C@@H](CNCc2ccc(O)c(O)c2)N(C(=O)OC(C)(C)C)C1	2052355902	MKIMNRBHNSTFSG-UONOGXRCSA-N	352.431	2.212	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)N1CC[C@@H](N=[N+]=[N-])C1	2060635834	PTEQPNRGWQMRHU-JHJVBQTASA-N	353.423	2.170	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)[C@@H](NC(=O)OC(C)(C)C)C1COC1	2106856505	ZVFBNBJLUQZGTJ-MSOLQXFVSA-N	361.486	2.479	10	10	FECE	
CCN[C@@H](c1ccccc1O)[C@@H](NC(=O)OC(C)(C)C)c1cn(C)nn1	2110395842	AKLVEXQPHBGMFQ-HOTGVXAUSA-N	361.446	2.437	10	10	FECE	
CCN1CCc2cc([C@@H](O)CN3CC(NC(=O)OC(C)(C)C)C3)ccc21	2112982977	FWRSNPZKJMPRCA-SFHVURJKSA-N	361.486	2.311	10	10	FECE	
CSc1ncc(CNC(=O)[C@@]2(N)CCN(Cc3ccccc3)C2)s1	2248602282	OZXZYOMWLYIFPS-QGZVFWFLSA-N	362.524	2.085	10	10	FECE	
O=C(C=Cc1cncc(O)c1)NCc1ccc(N2CCC(O)CC2)c(F)c1	2306248091	UHIAGODHMMNRFB-UHFFFAOYSA-N	371.412	2.217	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-]	2312333809	BGTKFRMIPRVGOW-MROQNXINSA-N	353.423	2.094	10	10	FECE	
Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	170874472	DPOGVTUHMSBHPI-UHFFFAOYSA-N	370.409	2.407	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCCC2CC(F)(F)C2)cc1F	1328906410	BPSVOFVGKMCGTO-UHFFFAOYSA-N	357.376	2.060	10	10	FECE	
Cc1cccc(C(=O)Nc2cccc(N3CCN(S(C)(=O)=O)CC3)c2)c1	41375630	BNNBHKCTKPPNCZ-UHFFFAOYSA-N	373.478	2.329	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(c2cc3c(cc2N)OCC(=O)N3)[C@@H]2CC[C@H]21	2168382817	DPCFRSIRZHOGJH-ZIAGYGMSSA-N	374.441	2.188	10	10	FECE	
CC(C)(C)N1CC[C@@](F)(C(=O)NCc2ccc(N3CCOCC3)cc2)C1	290127894	ZXJUZBLIBVDTAB-FQEVSTJZSA-N	363.477	2.352	10	10	FECE	
Cc1cc(CNC(=O)NCc2cc(Br)ccc2O)ncn1	805235260	ZAOWMTFIKMNJRW-UHFFFAOYSA-N	351.204	2.253	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H](C)c1ccnn1C	817556528	DEQXMCPSKLGSPC-LLVKDONJSA-N	365.817	2.084	10	10	FECE	
COC[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1	817833715	OKEXBGGVRUUADR-HZPDHXFCSA-N	361.486	2.205	10	10	FECE	
CO[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	815073868	CDXHIPPTAUMLPO-YTQUADARSA-N	373.497	2.210	10	10	FECE	
C[C@@H]1COCC[C@@H]1NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	838571198	KKCUAHNHYLCCOJ-WBMJQRKESA-N	369.412	2.026	10	10	FECE	
COC1(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1	843533089	QTPCQCZPUXZHOP-UHFFFAOYSA-N	358.360	2.337	10	10	FECE	
CN1CCC2(CC1)CN(Cc1cc(Br)ccc1O)CCO2	843431307	AMZCONWWPNPMMR-UHFFFAOYSA-N	355.276	2.451	10	10	FECE	
COc1ccc(N2CCN(CCN[C@H]3CCOC[C@H]3C(C)C)CC2)cc1	924832189	PSOUETMQTNOUSZ-SFTDATJTSA-N	361.530	2.468	10	10	FECE	
C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CN(C)C(=O)N3)cc2Cl)C1	854344678	QFPWLWRBJMBOIK-SWLSCSKDSA-N	364.877	2.216	10	10	FECE	
COC(=O)c1oc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1C	858129546	SGSBGZHLTYQMMX-UHFFFAOYSA-N	358.394	2.346	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)NCc2cc(Br)ccc2O)c2ncnn21	852477915	NIRFBWUAKRWLSQ-LDYMZIIASA-N	366.219	2.251	10	10	FECE	
CO[C@H]1CC[C@@H](C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1	854906910	ZRYKEXVYTPUKQW-KGLIPLIRSA-N	354.397	2.233	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N3CCOC[C@H]3CCO)cc2)CC1	758469955	IIEIAVPWRSAVBX-LJQANCHMSA-N	361.486	2.216	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H]3NCCc4ccccc43)C2)cc1	852900275	KGAAVAVMYIAWPW-JXFKEZNVSA-N	351.450	2.277	10	10	FECE	
Cc1cc(CNC(=O)CN2C(=O)NC(=O)C2(C)C)c(C)n1-c1ccccc1	863165893	PLCYVCBBTWIKMT-UHFFFAOYSA-N	368.437	2.041	10	10	FECE	
CN(Cc1cc2c(cc1O)OC[C@H]2O)[C@@H]1CCN(c2ccccc2F)C1=O	768446577	LERWKSQZCAWPLE-SJLPKXTDSA-N	372.396	2.194	10	10	FECE	
COC(=O)N1CCC[C@@H]([C@H](C)NCc2ccc(N3CCOCC3)cc2)C1	775348737	IUZPDLNIQAVPKL-FUHWJXTLSA-N	361.486	2.480	10	10	FECE	
CNS(=O)(=O)c1ccc(C(=O)NCc2c(O)ccc3ccccc23)cc1	1157041579	JTFQCPOYFNOEOT-UHFFFAOYSA-N	370.430	2.384	10	10	FECE	
Cc1nc(O)nc(O)c1CCC(=O)NCc1c(O)ccc2ccccc12	1304089967	STIBQSMYZCGNQR-UHFFFAOYSA-N	353.378	2.304	10	10	FECE	
O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NCc1cccc(O)c1O	1349079148	LCWURFJUFYEHTI-UHFFFAOYSA-N	372.465	2.437	10	10	FECE	
CNc1cc(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)ccn1	1346444519	IFOMDDYEQBKRGP-UHFFFAOYSA-N	369.469	2.084	10	10	FECE	
COc1ccc(N2CC[C@@H](NCc3c(Cl)nc(OC)n3C)C2)cc1	1350582464	DAEWXLJKULWQNZ-GFCCVEGCSA-N	350.850	2.459	10	10	FECE	
Cc1oc(C(=O)NCc2c(O)ccc3ccccc23)cc1S(N)(=O)=O	1647791832	WJJIJOHWPBCKJF-UHFFFAOYSA-N	360.391	2.024	10	10	FECE	
Cn1nccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2124517119	YAWHFEVMAKKWJF-YPMHNXCESA-N	363.422	2.287	10	10	FECE	
CCc1nnc(N(C)CCC(=O)NC)n1CCCSc1nccs1	1764731066	BVCIFOHGIAQLMS-UHFFFAOYSA-N	368.532	2.052	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@@H]2CN1CC(=O)Nc1ccc(N)cc1	1905377658	NZOYRKHOCHBIDA-UHOFOFEASA-N	360.458	2.052	10	10	FECE	
COc1cccc(O)c1CNC[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1	2136607371	KZNMWXDNNYPWPA-IBGZPJMESA-N	366.458	2.252	10	10	FECE	
CN(C)c1ccc(CNC2(C(N)=O)CCN(Cc3ccccc3)CC2)cc1	2154498482	QIVJNHUCFIIREX-UHFFFAOYSA-N	366.509	2.362	10	10	FECE	
C[C@@H]1CN(c2cc(Br)c(CN)cc2F)C[C@@H](C)S1(=O)=O	400852383	DOPREOAGBJJCOM-RKDXNWHRSA-N	365.268	2.059	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2060634136	VYIGGKMBOJGDGP-RWMBFGLXSA-N	353.423	2.075	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@H]1C[C@H]2[C@@H](C1)OCCN2C(=O)OC(C)(C)C	2079199926	JLBWSFNENMPOEF-RWMBFGLXSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]12CC[C@@](CNCc3cccc(O)c3O)(C1)OC2	2104910525	JNCMKKZVBJWZCT-OALUTQOASA-N	364.442	2.404	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](NC(=O)COc2ccc(N)cc2)C2(CC2)C1	2106266654	WCGTWSSYCSRWQX-OAHLLOKOSA-N	361.442	2.163	10	10	FECE	
O=C(O)[C@]1(CO)CCCN1Cc1cc(Cl)cc(Br)c1O	2201056820	RULJBTFWRAWBTB-CYBMUJFWSA-N	364.623	2.220	10	10	FECE	
CN(C)C[C@H]1COC[C@@H]1NCc1cc(Cl)cc(Br)c1O	2206378294	MPUMSQYCDYMOFN-GWCFXTLKSA-N	363.683	2.474	10	10	FECE	
CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2218738484	PQYZCAAHIOQGKY-LOWDOPEQSA-N	353.423	2.358	10	10	FECE	
COc1ccc(CNC[C@H]2C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1	2330274039	OPXIFLOKOIIRPN-SRCQZFHVSA-N	366.458	2.155	10	10	FECE	
CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc(S(N)(=O)=O)cc1	102936780	IUWZDABDTAUMTC-LFIBNONCSA-N	356.407	2.053	10	10	FECE	
COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCc1ccccn1	102074646	PPDRXIKEOXPHDP-RGEXLXHISA-N	364.405	2.411	10	10	FECE	
COc1ccc(O)c(CNC(=O)CCNC(=O)c2ccc(F)cc2F)c1	114540637	IWFQQXHTVRIPJA-UHFFFAOYSA-N	364.348	2.115	10	10	FECE	
O=C(NCC(=O)N(Cc1ccco1)Cc1ccccc1O)c1cccnc1	126522470	LWHTZOXGPMZLAQ-UHFFFAOYSA-N	365.389	2.339	10	10	FECE	
NC(=O)CCCCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	188894273	KLRZGHYAAXKEBW-ZDUSSCGKSA-N	369.412	2.419	10	10	FECE	
CC[C@H]1CN(C(=O)NCCCSc2nccs2)CCN1C[C@@H](C)O	181982488	MYECQSCHYCFGBV-KGLIPLIRSA-N	372.560	2.112	10	10	FECE	
CN(CC(=O)NCCN1CCc2ccccc21)c1ccc2c(c1)OCO2	121359735	JYQKANCKEGYUNK-UHFFFAOYSA-N	353.422	2.030	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@@H](CCO)c1ccco1	187892707	NXKPGJGXJBDZAJ-MOTZXUDYSA-N	356.422	2.369	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(CC(N)=O)C(C)C)C1	443886831	VBUHAHWYCJZQCM-UHFFFAOYSA-N	370.497	2.130	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCC(Oc3cnccn3)CC2)cc1F	375755362	DZFXPDTUQBCTDJ-UHFFFAOYSA-N	373.432	2.435	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CC[C@H](Cc4ccncc4)C3)cc2N1	374676026	GOPVYHOBSRZZAY-CYBMUJFWSA-N	354.366	2.390	10	10	FECE	
CCNC(=O)c1ccc(NCc2cc(Br)ccc2O)nn1	804828003	YQHKGVTYNROYFV-UHFFFAOYSA-N	351.204	2.307	10	10	FECE	
CC1(O)CC(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1	827096591	XTDNJHUMVWHOJX-NSWWBONSSA-N	352.862	2.287	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)c2ccc(=O)n(CCCOC)n2)cc1	822607669	LMVBUPUAYUBXQC-UHFFFAOYSA-N	372.469	2.056	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@@H]3C3CC3)cc2)C1	837769618	QKJLOUUQNGMJPZ-SJLPKXTDSA-N	356.470	2.082	10	10	FECE	
CCCN1CCC[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	749405465	FEDBYEOPUARPJJ-LJQANCHMSA-N	363.477	2.277	10	10	FECE	
OC1CCN(c2ccc(CN[C@@H]3CCOC34CCOCC4)cc2F)CC1	924759012	DSMQMUWHDHFRDD-LJQANCHMSA-N	364.461	2.215	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H]3Cc4ccccc4C(=O)O3)C2)cc1	855229054	JTXXXMNOKXFEJT-HNAYVOBHSA-N	366.417	2.172	10	10	FECE	
CCN1C(=O)C[C@H](C(=O)NCc2c(O)cccc2F)[C@H]1c1cccnc1	928705714	LKUMLHMBASFPMA-SCLBCKFNSA-N	357.385	2.152	10	10	FECE	
CN1CCC(N2C(=O)/C(=C/c3cn(C)nc3Cl)SC2=S)CC1	856719211	SEAGOXOGLUCCPL-XFFZJAGNSA-N	356.904	2.369	10	10	FECE	
CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@H](C(N)=O)c1ccc(O)c(O)c1	698966323	IHBBFTRXXYPCII-LLVKDONJSA-N	364.320	2.424	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C3CC3)C(C)(C)CO)C2)cc1	854297776	WROJBJUCHQXJGT-YJBOKZPZSA-N	361.486	2.370	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3c(C(F)(F)F)cnn3C)CC2)cc1	854199010	VADJQXIMGOOCAX-UHFFFAOYSA-N	368.359	2.410	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2c(c1)CCOC2	850345150	LUHHEDAJKDLTCU-UHFFFAOYSA-N	367.449	2.422	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cnn(C)c3C(F)(F)F)C2)cc1	855231221	INALLMBXADPYQR-NSHDSACASA-N	368.359	2.456	10	10	FECE	
Cc1cc(CC(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)c(C)n1-c1ccccc1	861717766	BVQDLHHYKFOPEM-LEWJYISDSA-N	367.493	2.304	10	10	FECE	
Cc1cc(CCNC(=O)N[C@H](C(N)=O)C(C)C)c(C)n1-c1ccccc1	768180994	MTLWFQBNYJVHPF-SFHVURJKSA-N	356.470	2.446	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	773995834	XHSMUUVTPIFGMC-MFNCVGGLSA-N	352.438	2.398	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@H]4NCC[C@@H]4C3)ccc(N)c2C1	1876610542	MDJQNLCESRVPJW-CXAGYDPISA-N	358.486	2.360	10	10	FECE	
CO[C@@H]1CCCC[C@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	894592579	LFAJBQRREXCZLH-RTBURBONSA-N	373.497	2.210	10	10	FECE	
COCCN1CC[C@H](N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1	784547103	ZUUDRENVEOEFLU-MSOLQXFVSA-N	367.921	2.320	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3CCC[C@H]3OC)CC2)c(OC)c1	1228683651	NDXPUWLTPKVBMH-NVXWUHKLSA-N	363.458	2.103	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@H]2NC(=O)c2cccc(O)c2O)C1	1962830729	LTVYRKPVUABOKN-IACUBPJLSA-N	362.426	2.473	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1Cc2cccnc2C1	1346734524	INLFFBBNIZBCRJ-CYBMUJFWSA-N	374.824	2.357	10	10	FECE	
C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCc3ccc(N4CCN(C)CC4)cc3)CN2C1	1528846892	CJDDVCXWIAIYRK-LMNJBCLMSA-N	370.541	2.175	10	10	FECE	
Cn1nc(C(=O)NCc2ccc3cccnc3c2O)cc1Br	1627072532	ABBDZTNNOLLPSP-UHFFFAOYSA-N	361.199	2.366	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@@H]2CCOC2)n1C[C@@](C)(O)C1CC1	1729421075	YRGHWVUBVVLRPK-FOIQADDNSA-N	372.469	2.285	10	10	FECE	
COc1ccc(-c2noc(CCC(=O)NCc3c(O)cccc3O)n2)cc1	1652623305	RXOKYUHHJAFXTM-UHFFFAOYSA-N	369.377	2.405	10	10	FECE	
C[C@@H](NC(=O)c1ccnc2[nH]cnc12)c1ccc(N2CCOCC2)cc1	1583675900	CFZGRPBKBFVUBW-CYBMUJFWSA-N	351.410	2.286	10	10	FECE	
CCOc1cccc(/C=C2/SC(=S)N(CCOCCO)C2=O)c1O	1858589520	WHGQGEHKJFPVSC-JLHYYAGUSA-N	369.464	2.001	10	10	FECE	
CCOc1cccc(CNCC(=O)Nc2ccc(C(=O)OC)cc2)c1O	1860718374	OOPKQNLCLMFNTR-UHFFFAOYSA-N	358.394	2.306	10	10	FECE	
C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cc(O)c(O)c(O)c1	2132409149	CEVMISPWWGTINB-QWRGUYRKSA-N	366.414	2.179	10	10	FECE	
C[C@@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1cc(O)c(O)c(O)c1	2132401725	VVASSIMOBYEBQB-JTQLQIEISA-N	366.414	2.131	10	10	FECE	
COc1cccc(N(C)C(=O)C2=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c1	2136284300	CXJWUPSVCMLRCI-CVEARBPZSA-N	362.426	2.242	10	10	FECE	
C[C@@H](N)c1ccc(N2CC[C@H](CS(C)(=O)=O)C2)cc1Br	2143667431	GGBHBQSXUDNFQS-MNOVXSKESA-N	361.305	2.340	10	10	FECE	
CC(C)(C)OC(=O)NCc1n[nH]c(=NCc2cccc(Cl)c2O)o1	2024248038	YGVAEAVFMZAPFS-UHFFFAOYSA-N	354.794	2.487	10	10	FECE	
CN[C@H](C)c1ccc(N(C)[C@@H]2CCS(=O)(=O)C2)c(Br)c1	61695847	AUZVTGQYEQODCB-ZYHUDNBSSA-N	361.305	2.353	10	10	FECE	
CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)Cc1ccc(N)cc1	2084784819	QWPSNVNBYUBWFF-GJZGRUSLSA-N	365.499	2.278	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)OCCN1CCSCC1	2298698876	OFWUKKWOHGOSTJ-UHFFFAOYSA-N	362.495	2.128	10	10	FECE	
COC(=O)[C@H](NC(=O)C=Cc1cc(C)n(-c2ccc(C)cc2)c1C)[C@@H](C)O	2309453794	AVPVDIWJFVDDFY-OXQOHEQNSA-N	370.449	2.454	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@]2(C(=O)N3CCC(N=[N+]=[N-])CC3)CO[C@H]1C2	2334183751	MWKBBEVDGGZFCI-GDZNZVCISA-N	365.434	2.360	10	10	FECE	
COc1ccc(N2CCN(C)CC2)cc1NC(=O)COc1ccccc1	74586883	DQFMYQHRARIRLJ-UHFFFAOYSA-N	355.438	2.465	10	10	FECE	
NC(=O)C1CCN(C2=NC(=O)/C(=C/c3c[nH]c4ccccc34)S2)CC1	40570571	LILJWIUFBZADAX-DHDCSXOGSA-N	354.435	2.336	10	10	FECE	
CN(C)c1ccc(CN(C[C@@H]2CCCN(S(C)(=O)=O)C2)C2CC2)cc1	267928582	KWSXMYPTEVQTAP-KRWDZBQOSA-N	365.543	2.389	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C2C[C@H]3CNC[C@@H](C2)C3=O)cc1F	368395820	WJQIQXQNFKBECH-MQVJKMGUSA-N	361.461	2.103	10	10	FECE	
CCOC(=O)CCCNC(=O)NCc1cc(Br)ccc1O	804890658	VGIOJMNKVPWJAE-UHFFFAOYSA-N	359.220	2.297	10	10	FECE	
CC(C)(C)OC(=O)NC1CCN(CCNCc2cccc(O)c2O)CC1	721876604	BQCIUHMWYMYLOF-UHFFFAOYSA-N	365.474	2.177	10	10	FECE	
O=C(N[C@H]1Cc2ccc(Cl)cc2C1)C(=O)N1Cc2cccc(O)c2C1	1354538613	BGRSESAREWEEJM-HNNXBMFYSA-N	356.809	2.171	10	10	FECE	
CN(C)S(=O)(=O)c1ccc(NNC(=S)Nc2ccc(F)cc2)cc1	812260837	GQDIPMJUNIEHAD-UHFFFAOYSA-N	368.459	2.390	10	10	FECE	
CCN(CC)c1ccc(CN2CCN([C@H]3CCNC(=O)CC3)CC2)cc1	825147417	FXGUTMMESUNEOR-HXUWFJFHSA-N	358.530	2.319	10	10	FECE	
COc1ccc(N2CCN(C(=O)/C=C/c3ccc(C(=O)O)o3)CC2)cc1	901608468	HJJXTYFKOHHRML-VQHVLOKHSA-N	356.378	2.348	10	10	FECE	
COCc1noc(CN2CCN(C/C=C\c3ccc(N(C)C)cc3)CC2)n1	835046197	UDVFLBDTRSCCSP-PLNGDYQASA-N	371.485	2.113	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N(C)C[C@@H]2CCCO2)cc1	839224650	UKTOEOBOVBFIOB-SFHVURJKSA-N	361.486	2.129	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)C[C@H](C)[C@@H]3CCCO3)cc2)CC1	832794306	LXOTZONMRVQUFA-JXFKEZNVSA-N	373.497	2.177	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC(F)(F)C[C@@H]1CO	840481125	GQNHMRLLYCIDCK-CZUORRHYSA-N	355.429	2.404	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)c3cccc(C(C)=O)c3)C2)cc1	849415918	HURJSHPGWGXXAB-MRXNPFEDSA-N	374.462	2.455	10	10	FECE	
CCOC(=O)c1cnc(NC(=O)NCc2ccc(N(C)C)cc2C)n1C	841712278	FAZZMSHKISGXSS-UHFFFAOYSA-N	359.430	2.293	10	10	FECE	
COC[C@@H]1C[C@@H](O)CN1CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	844393956	XYWXMSRCNBHOMH-ZWKOTPCHSA-N	360.429	2.498	10	10	FECE	
Cn1cc(C[C@H]2CCC[C@H]2N2C(=O)CN(Cc3ccccc3O)C2=O)cn1	849363749	OSESCMLETCUPTP-NVXWUHKLSA-N	368.437	2.301	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@H](O)CC(C)(C)C3)C2)cc1	854298021	UQULKUOFULROOE-WBVHZDCISA-N	361.486	2.466	10	10	FECE	
CN(C)CCC[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CCO1	853776251	NYHYVMHMMJHZGT-FQEVSTJZSA-N	372.513	2.315	10	10	FECE	
CC[C@H](NC(=O)CN(CC(=O)O)c1ccc(OC)cc1)c1nccs1	853006577	VVYSLJSGBMPHOP-AWEZNQCLSA-N	363.439	2.310	10	10	FECE	
CCOC(=O)N[C@@H](C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(C)C	855232317	PRBOHSIDQREFNA-WMLDXEAASA-N	363.458	2.161	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc([N+](=O)[O-])cn1	762224306	GYTGOUFBJDWTRW-UHFFFAOYSA-N	370.409	2.129	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CNC[C@H]2c3ccccc3C(=O)N2C)c1O	862517076	DMJYCRJRBFYCAA-HNNXBMFYSA-N	357.366	2.226	10	10	FECE	
CNS(=O)(=O)c1ccc(CCN[C@@H](C)c2cc(F)ccc2O)cc1	866579961	VTMCGXMKSZPOPT-LBPRGKRZSA-N	352.431	2.333	10	10	FECE	
CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)/C=C\c1ccc(C)nc1)CC2	777866208	QAPTVHSCKZTMLG-TWGQIWQCSA-N	371.462	2.291	10	10	FECE	
C[C@@H]1Oc2ccccc2N(CCC(=O)N2Cc3cccc(O)c3C2)C1=O	871198657	MGQXHKLCIFQYSD-ZDUSSCGKSA-N	352.390	2.439	10	10	FECE	
C[C@@H](Nc1ccc2c(c1)CN(CC(N)=O)CC2)c1cc([N+](=O)[O-])ccc1O	788611571	XENONMBSXAVYGD-GFCCVEGCSA-N	370.409	2.317	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@H]4C[C@H]4C3)cc2)CC1	894593339	RISHFIDOIXKMTL-KSZLIROESA-N	355.482	2.441	10	10	FECE	
CCOC(=O)C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1cccc(OC)c1	1141913354	HRADHANTQNYLOX-MRXNPFEDSA-N	373.405	2.460	10	10	FECE	
Cc1cc(C(=O)NCCc2nc(=O)o[nH]2)c(C)n1-c1ccc(Cl)cc1	790079573	NPVKGFHSRWJUQT-UHFFFAOYSA-N	360.801	2.396	10	10	FECE	
O=C(O)c1cc(O)ccc1NS(=O)(=O)c1cnccc1C(F)(F)F	790606560	KKTQNTOXZCMLPM-UHFFFAOYSA-N	362.285	2.305	10	10	FECE	
C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[C@@H]1NC(=O)OC(C)(C)C	1147735621	UZUOFEHXNZGGJI-JSGCOSHPSA-N	364.442	2.402	10	10	FECE	
NC(=O)Cc1occc1C(=O)Nc1c(-c2ccccn2)nc2ccccn12	1160563465	PQHKHJGJHYANJY-UHFFFAOYSA-N	361.361	2.269	10	10	FECE	
C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CCN1C1CCCC1	1176155374	XILUUPDHRAYOOA-KRWDZBQOSA-N	358.530	2.318	10	10	FECE	
COC[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)C1CCOCC1	1329548964	RFIMHBBGQSEGKG-LJQANCHMSA-N	365.493	2.109	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)c3cnc(SC)nc3O)C2)cc1	1452026445	JKYKFGCNGRGBNJ-LBPRGKRZSA-N	374.466	2.169	10	10	FECE	
CC(C)(C)OC(=O)N1[C@@H](CNC(=O)c2ccc(O)c(O)c2)COC1(C)C	2118190678	WOCRBLQNOLCVCG-LBPRGKRZSA-N	366.414	2.200	10	10	FECE	
Cc1nc(O)c(Br)cc1C(=O)NCc1cc(O)ccc1O	1633599200	RRPKNZOOMGPHRK-UHFFFAOYSA-N	353.172	2.199	10	10	FECE	
Cc1ccc(F)c(-n2cc(O)c(C(=O)NCc3ccc(O)c(O)c3)n2)c1	1631434423	RVYWOIRDMJFRJW-UHFFFAOYSA-N	357.341	2.367	10	10	FECE	
O=C(NCc1cc(Cl)ccc1O)c1cccc(CN2C(=O)CNC2=O)c1	1640919872	CWLOVXWQKZNZSP-UHFFFAOYSA-N	373.796	2.027	10	10	FECE	
CCCCC1(NC[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CC1	1655834753	OEOILZKKTWDOLQ-IBGZPJMESA-N	361.530	2.491	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(-c2cnccn2)n1CC1(C)COC1	1768681727	NNCJTUCMOAQNGN-UHFFFAOYSA-N	366.425	2.114	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CC[C@@H](C(=O)N3CCCC3)C2)c([N+](=O)[O-])c1	1773122245	XZJMNVFTQCJSQK-ZQMJAJRESA-N	373.409	2.230	10	10	FECE	
CCc1nc2n(n1)C[C@H](NC(=O)NCCCSc1nccs1)CC2	153613987	GICBMBSKJURYCQ-LLVKDONJSA-N	366.516	2.093	10	10	FECE	
CCOC(=O)N1CCN(/N=N/c2ccc(N3CCN(C)CC3)cc2)CC1	1860486334	YFGWFYAHRWABGH-FMQUCBEESA-N	360.462	2.211	10	10	FECE	
CN(C)Cc1cc([C@@]2(NC(=O)OC(C)(C)C)C[C@@H]2C(=O)O)ccc1O	1952950544	LBXJGSNKYAUXIM-ACJLOTCBSA-N	350.415	2.278	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1ccn(-c2ccc(N)cc2)n1	2162516656	SUMBAUNVYMMNCT-CHWSQXEVSA-N	373.457	2.486	10	10	FECE	
C[C@H](NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc(O)cc1O	397411508	TYXYSPMPFHQLPK-JSGCOSHPSA-N	352.431	2.384	10	10	FECE	
O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1	2188918501	FPJXNBDKNCVFCP-WBVHZDCISA-N	368.433	2.398	10	10	FECE	
CC1(C)[C@@H](O)C[C@@]1(CO)NCc1cc(Cl)cc(Br)c1O	2193970843	PSBUGVWJOLDZCE-FZMZJTMJSA-N	364.667	2.420	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NC(=O)c2ccc(O)c(O)c2)C1	2054416719	XNWGESDUPWOBHG-JPQMIFPKSA-N	370.427	2.003	10	10	FECE	
COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCC(CN=[N+]=[N-])CC1	2060613700	UMKBVPYCHOGJDC-GFCCVEGCSA-N	357.411	2.007	10	10	FECE	
CO[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2060622039	UVKOCAQAEBXMMC-FRRDWIJNSA-N	355.439	2.464	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)N2CC[C@@H](N=[N+]=[N-])C2)C1	2060639586	JSRPIURONGVALA-MLGOLLRUSA-N	353.423	2.050	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)NCC2(CN=[N+]=[N-])CC2)C1	2060633171	KQUHATIRFIQMRX-GFCCVEGCSA-N	353.423	2.219	10	10	FECE	
COC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2060638095	RXZIHSRGDNYQME-OPGSHWCFSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)CO1	2060610365	HCXLCABUYFSRPX-UPJWGTAASA-N	353.423	2.218	10	10	FECE	
C[C@H](CNCc1ccccc1O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1	2222493516	WZZZZVZKNDMJHH-KUHUBIRLSA-N	350.459	2.490	10	10	FECE	
O=C(O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccccc2)SC1=S	2293175953	DTPSNZKCDHPUJR-SNVBAGLBSA-N	351.405	2.206	10	10	FECE	
CNS(=O)(=O)c1ccc(NC=C2C(=O)N(c3ccccc3)N=C2C)cc1	2297321125	ZFEANDFLEKWTMZ-UHFFFAOYSA-N	370.434	2.313	10	10	FECE	
CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1CC(=O)C(=O)C[C@H]1C[C@H](N)C1	2309915910	OMYCICLVPLORNZ-BTFPBAQTSA-N	350.459	2.430	10	10	FECE	
COC(=O)CCCCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	69124847	NMYYQOBWZBXBJX-UHFFFAOYSA-N	363.458	2.008	10	10	FECE	
C[C@@]1(c2cccc(CNCc3cc(Cl)ccc3O)c2)NC(=O)NC1=O	171130025	CVXZFNGNAUCOAP-SFHVURJKSA-N	359.813	2.390	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(C)cc3F)CC2)cc1	80241221	VLQJWSGGPAYLKE-UHFFFAOYSA-N	371.412	2.430	10	10	FECE	
O=c1oc2cccnc2n1CCN(Cc1ccccc1O)C[C@H]1CCCO1	93193164	ORWULYAARRJZTE-MRXNPFEDSA-N	369.421	2.376	10	10	FECE	
Cc1ccc(CN2CC(C)(CS(C)(=O)=O)C2)c(O)c1Br	2380773250	KDXAPUHJMLSFBT-UHFFFAOYSA-N	362.289	2.330	10	10	FECE	
C[C@](O)(C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)C1CCC1	813505114	OGYUAFJQGLXXTF-JOCHJYFZSA-N	371.525	2.386	10	10	FECE	
CN(C)c1ccc(CN(C(=O)c2ccnc3c2CC(=O)N3)C2CC2)cc1	821033015	JWNKYLPNAPRZGP-UHFFFAOYSA-N	350.422	2.447	10	10	FECE	
COc1ccc(O)c([C@@H](C)NCc2nc(-c3cc(OC)ncn3)no2)c1	828682113	IMQGFHQALSIUMB-SNVBAGLBSA-N	357.370	2.100	10	10	FECE	
C[C@@H](NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1cn(C)nn1	902892690	NYMHGECDLHLKDY-MRXNPFEDSA-N	354.502	2.198	10	10	FECE	
COC[C@@]1(C(=O)OC)CCCN1Cc1ccc(Br)cc1O	827489951	YYBHNXLJOVDQCS-OAHLLOKOSA-N	358.232	2.309	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NC[C@@]34CCC[C@@H]3C4)cc2)C1	914292388	ULJSPVCFYNVIJR-FVJLSDCUSA-N	370.497	2.378	10	10	FECE	
Cc1cc(C(=O)CN2CCN[C@H](C)C2)c(C)n1-c1ccc2c(c1)OCO2	842473596	NVKGQQPHURFIPR-CYBMUJFWSA-N	355.438	2.299	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)CC(F)(F)CN)cc2F)C[C@@H](C)O1	846672342	FPGCQUAMEMELRG-TXEJJXNPSA-N	359.392	2.040	10	10	FECE	
C[C@@H](NS(=O)(=O)[C@@H]1COC(C)(C)C1)c1ccc(N2CCOCC2)cc1	858917906	GIEZTEMGAXGVAT-PBHICJAKSA-N	368.499	2.071	10	10	FECE	
Cc1ccc(S(=O)(=O)NCc2ccc(N3CCC(O)CC3)cc2)o1	851844189	RQOAMFWHOUEXSC-UHFFFAOYSA-N	350.440	2.028	10	10	FECE	
COCCOc1ncccc1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	855228930	GDSVLSUGMGNZRI-OAHLLOKOSA-N	371.437	2.124	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N(C[C@@H]3CCOC3)C3CC3)C2)cc1	854301527	QBCCBWBAJHFVAH-JKSUJKDBSA-N	359.470	2.484	10	10	FECE	
C[C@@H](NC[C@@H]1COCCN1C)c1ccc(N2CCOCC2)cc1Cl	858520093	CZHBFHFOPMBHAH-GDBMZVCRSA-N	353.894	2.158	10	10	FECE	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@]12CCC[C@H]1OCC2	868839031	WBYSVBCWGOZKTK-APWZRJJASA-N	366.408	2.377	10	10	FECE	
COc1ccc(O)c(CNCc2c(I)cnn2C)c1	877776444	KPWSUECZNUUDPJ-UHFFFAOYSA-N	373.194	2.029	10	10	FECE	
CCOc1cc(C(=O)N2Cc3cccc(O)c3C2)ccc1OCC(=O)OC	871203102	SLNCEZKXSKBASJ-UHFFFAOYSA-N	371.389	2.499	10	10	FECE	
CCC[C@H](C)CCNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1	1119463627	JWIYIKFZUOHYKK-INIZCTEOSA-N	361.486	2.082	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN[C@@H]3CCCC34CC4)CC2)cc1	872218373	MUZNGHAQCIHBPR-AZUAARDMSA-N	359.514	2.100	10	10	FECE	
CC1(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C[C@H]2C[C@@H]2C1	894593364	SDGKBBKGKGZROZ-IAGOWNOFSA-N	355.482	2.441	10	10	FECE	
COCCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1O	1316043211	QWTSBQXRYXQAEP-UHFFFAOYSA-N	356.430	2.057	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCOC1	1964874343	QUZUAMPGXVCXFQ-ZBFHGGJFSA-N	364.442	2.280	10	10	FECE	
COc1ccc(N2C[C@H]3CCO[C@@]3(CNC(=O)OC(C)(C)C)C2)c(N)c1	2118555423	KMYLUYKIRUGOMX-YJYMSZOUSA-N	363.458	2.397	10	10	FECE	
COc1ccc(O)c(CN[C@@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1	2121673686	RYIXIMIWBDSLDS-BFYDXBDKSA-N	364.442	2.125	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3CC[C@H]4CCCCN43)CC2)c(OC)c1	1634886392	IFLLNUYCQGVTSQ-VQIMIIECSA-N	373.497	2.369	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)/C=C/[C@H]3COC(C)(C)O3)C2)cc1	1630618694	DXULSXLKEBDAEJ-LZMCZGSNSA-N	360.454	2.345	10	10	FECE	
CCOC(=O)[C@H]1CCCN(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1	1567776987	FWHZDHQPTLUBNX-RDJZCZTQSA-N	361.486	2.205	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3[C@H](CO)CC[C@H]3CO)c2C)cc1	1640138479	PTYPQQJHYOAPMO-IRXDYDNUSA-N	358.438	2.061	10	10	FECE	
CCCNC(=O)Nc1ccc(CC(=O)NCc2ccc(O)cc2O)cc1	1570462535	XDNZNGNPKZEZPE-UHFFFAOYSA-N	357.410	2.488	10	10	FECE	
CCOC(=O)CN(CC(=O)N(CC(C)C)C1CC1)Cc1ccccc1O	1643519503	WBVFZSFXFNCAHU-UHFFFAOYSA-N	362.470	2.404	10	10	FECE	
C[C@H]1[C@H](C(=O)NCc2cc(O)ccc2O)CCN1C(=O)OC(C)(C)C	1644753859	LHRAGAVPHVKGBP-SMDDNHRTSA-N	350.415	2.360	10	10	FECE	
CN1C(=O)Cc2cc(CNC(=O)c3ccc(N=NC(N)=O)cc3)ccc21	1648740922	WBBBVNCAQIHDFP-UHFFFAOYSA-N	351.366	2.298	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1ncoc1-c1ccc2c(c1)OCCO2	1647270671	WOPOUGQCVFNRQL-UHFFFAOYSA-N	368.345	2.454	10	10	FECE	
Cn1nccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2124517118	YAWHFEVMAKKWJF-WCQYABFASA-N	363.422	2.287	10	10	FECE	
O=C(Nc1ccc2nc(N3CCOCC3)[nH]c2c1)c1c(F)ccc(O)c1O	1654223696	RJDILWIWHKDWQB-UHFFFAOYSA-N	372.356	2.202	10	10	FECE	
Cc1cc(S(C)(=O)=O)cc(C(=O)NCc2c(O)cccc2F)c1C	1652298982	XEHGXQFJYBBCIA-UHFFFAOYSA-N	351.399	2.482	10	10	FECE	
[N-]=[N+]=NCC1CCN([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2O)CC1	1912196078	SEQVQKREGPSRHX-DLBZAZTESA-N	359.430	2.391	10	10	FECE	
Cc1ccoc1CNC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	1681679898	JJCFUSSFFIIDGB-UHFFFAOYSA-N	370.453	2.289	10	10	FECE	
C[C@H]1CC[C@@H](C)N1CCN1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1	154529342	ZTOGSUMDTHAIHE-IYBDPMFKSA-N	362.474	2.291	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNCc3ccc(O)c(O)c3O)[C@@H]2C1	2138791440	CGWMOYYSDNGVBM-MGPQQGTHSA-N	364.442	2.396	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(Cc2c(O)cccc2F)C1	2136385338	AINUFCBNUBZKEW-RISCZKNCSA-N	368.405	2.474	10	10	FECE	
COc1cc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)O)cc(O)c1O	1951855868	NXANECWJGFAKTF-MNOVXSKESA-N	353.371	2.142	10	10	FECE	
O=S1(=O)C[C@@H]2CC(NCc3cc(Br)ccc3O)C[C@H]2C1	1974477303	MVBIWBOZOHFBLK-QWRGUYRKSA-N	360.273	2.068	10	10	FECE	
O=S1(=O)C[C@H]2CC(NCc3cc(Br)ccc3O)C[C@@H]2C1	1974477297	MVBIWBOZOHFBLK-GHMZBOCLSA-N	360.273	2.068	10	10	FECE	
O=[N+]([O-])c1cc(CO)ccc1N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1	2153997939	QHKLLZXSNCSBBH-VQTJNVASSA-N	369.421	2.177	10	10	FECE	
C[C@H](O)CN(CCN[C@H](C)c1c(O)cccc1O)C(=O)OC(C)(C)C	310604259	BOQGIMPIHPBCSH-QWHCGFSZSA-N	354.447	2.366	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@H]1NCc1ccc(O)cc1O	387929671	LSGZQAGRCPSDOK-ORQFMDKSSA-N	364.442	2.258	10	10	FECE	
CC(C)(C)OC(=O)NCC[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1	2054400693	HNLOOOWTXXSZQK-LBPRGKRZSA-N	350.415	2.475	10	10	FECE	
COCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2060640731	YCMXIVMDOXCDFT-STQMWFEESA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@@H](N=[N+]=[N-])C1)C1(O)CCC1	2067740132	NPUYFGDQFXLEMA-VXGBXAGGSA-N	353.423	2.096	10	10	FECE	
C[C@H]1C[C@@H]1NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2080888667	QWODPQCDWJCUTC-DRZSPHRISA-N	350.415	2.058	10	10	FECE	
COc1ccc([C@@H](C)NCC2(O)CC(NC(=O)OC(C)(C)C)C2)c(O)c1	2107274450	WQBNFUDXQOVVPZ-BYKITBGFSA-N	366.458	2.470	10	10	FECE	
NC(=O)CN(Cc1ccccc1)c1ccc(C=CC(=O)O)cc1[N+](=O)[O-]	2095890383	NMBWTXCNOHRPNS-UHFFFAOYSA-N	355.350	2.185	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(c2ccc3c(c2)OCCCO3)C1	2226800948	XGFJFAGOYOCDGP-UKRRQHHQSA-N	364.442	2.312	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@H](N=[N+]=[N-])C2)C[C@@H]2OCCC[C@H]21	2272773472	KZBWWSNNNRQPJW-PFHKOEEOSA-N	365.434	2.360	10	10	FECE	
COc1ccc(C=C2C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1	2297302839	XWBVPUALAREODW-UHFFFAOYSA-N	371.418	2.149	10	10	FECE	
CNC(=O)c1cncc(C=CC(=O)N2CCN(C)c3cc(F)ccc32)c1	2297707125	ROITWUNCKIFYKD-UHFFFAOYSA-N	354.385	2.077	10	10	FECE	
CC(C)(C)OC(=O)N1CC(N2CCC(C(=O)NCCCN=[N+]=[N-])CC2)C1	2339573269	UNYHKPLLRHALSO-UHFFFAOYSA-N	366.466	2.134	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N2C[C@H](C)Oc3cc(F)ccc32)c1	173515607	KWOLNRXVSKSOLV-UXONFWTHSA-N	355.369	2.408	10	10	FECE	
COc1c(C(=O)NCc2c(O)ccc3c2CCCC3)cnc2c1cnn2C	183655079	TXAIYZXATCZFCS-UHFFFAOYSA-N	366.421	2.491	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@](O)(C(F)(F)F)C1	81479159	GHSUYPMWTFTQKI-MRXNPFEDSA-N	357.376	2.496	10	10	FECE	
CCN1CC[C@@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)[C@@H](C)C1	269708006	QXQWPLHAPRSICH-FXAWDEMLSA-N	374.529	2.395	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3C[C@H](OC)C[C@@H]3C(=O)O)c2C)cc1	262143464	MITZHCHRRRPGPH-SJLPKXTDSA-N	372.421	2.417	10	10	FECE	
CCn1nc2c(cc1=O)CN(Cc1cc(Cl)cc(C(C)=O)c1O)CC2	371867051	VTLIJVSDIHJVTL-UHFFFAOYSA-N	361.829	2.383	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)c1cscn1	829894620	UNGPREWWXOMAPF-CYBMUJFWSA-N	360.483	2.435	10	10	FECE	
CC(C)(C)n1cc(/C=C2\OCCn3c2nc(Br)c3C=O)nn1	901575162	MNSQQAURVPPOMU-WDZFZDKYSA-N	366.219	2.333	10	10	FECE	
Cc1ccc([C@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)N2CCOCC2)o1	588403323	DNSFRTMGJVXDTI-OUOZUETKSA-N	372.421	2.202	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)NC(CF)CF	836530365	UQFGXXCGWPREHK-UHFFFAOYSA-N	366.456	2.325	10	10	FECE	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cnn(CC)n1	834517922	DEBAYFJUNXSKNC-UHFFFAOYSA-N	373.457	2.300	10	10	FECE	
CN1CCN(C(=O)C2CCN(C/C=C\c3ccc(N(C)C)cc3)CC2)CC1	835052553	GGSCDUXZCRHRFH-PLNGDYQASA-N	370.541	2.252	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)c3ccc(F)cc3)C2)cc1	849416922	ZCYRMYZBLOHQTJ-CQSZACIVSA-N	350.415	2.392	10	10	FECE	
Nc1ccc(Cc2nc(C(=O)OC[C@H]3CN(C4CC4)C(=O)O3)cs2)cc1	845144603	PIQHDOMTDABSHZ-CQSZACIVSA-N	373.434	2.456	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@]2(OC(C)C)CCOC2)c1	925747620	PHIRLYBRAJOOOV-UGSOOPFHSA-N	352.431	2.345	10	10	FECE	
C[C@H](NC(=O)COc1ccc(O)cc1)c1ccc(N2CCOCC2)cc1	746167836	JSVZHZCREAKRST-HNNXBMFYSA-N	356.422	2.485	10	10	FECE	
COc1ccc([C@H](CC(=O)NCc2c(O)cccc2F)NC(C)=O)cc1	928709464	IPJOQWSIFILVJR-KRWDZBQOSA-N	360.385	2.424	10	10	FECE	
COc1ccc([C@H](NCc2cc([N+](=O)[O-])ccc2O)C(=O)O)cc1F	756359641	CZROMJQTPLALRS-HNNXBMFYSA-N	350.302	2.364	10	10	FECE	
Cc1cc(=O)n(C)cc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	930275113	COOLKTRIUNNIRG-SFHVURJKSA-N	371.485	2.184	10	10	FECE	
CC[S@@](C)(=O)=NS(=O)(=O)NCc1cc(Cl)cc(Cl)c1O	867270147	LIYHIORGJRGRQL-LJQANCHMSA-N	361.272	2.151	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CCOC[C@H]1C	768179445	GOBUIFHCESIJIV-BXUZGUMPSA-N	355.818	2.220	10	10	FECE	
C[C@@H](CCNC(=O)NCc1cccc(Br)c1O)[S@@](C)=O	764801903	VWLHBDGEKDTALX-GWNMQOMSSA-N	363.277	2.111	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)[C@@]34C[C@@H](N)C[C@@H]3C4)cc2F)C[C@H](C)O1	870869523	XJRTYMZVTRIYNB-CANRUPMFSA-N	361.461	2.183	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C[C@H](CO)C1	1879576831	OOTGSOYVXLQVBU-XNJGSVPQSA-N	367.450	2.344	10	10	FECE	
COc1ccc(CNC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c(O)c1	794388486	WBHDMUDTSFTNHP-GOSISDBHSA-N	370.405	2.448	10	10	FECE	
CCn1cc([C@@H]2C[S@@](=O)CCN2Cc2cc(C)cc(OC)c2O)cn1	792714348	BFJWKILTOPZXOZ-LMKMVOKYSA-N	363.483	2.231	10	10	FECE	
CN(C)c1ccc([C@H](CN)N2CCC23CN(C(=O)OC(C)(C)C)C3)cc1	1881638794	RYOXNAWEMBMYHM-KRWDZBQOSA-N	360.502	2.448	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)c3cccc(F)c3N)cc2)CC1	1155604352	RRSNJZSFOSQRHT-UHFFFAOYSA-N	370.428	2.040	10	10	FECE	
COC(=O)[C@@](C)(NC(=O)c1cc(O)cs1)c1cccc([N+](=O)[O-])c1	1302124091	CVZGEBJNVDVNPP-HNNXBMFYSA-N	350.352	2.180	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1	1304053406	KLYFMEMKBSCCAW-SNVBAGLBSA-N	362.332	2.045	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\c1cccnc1C	1330597314	AHEQZXIBBJYDOE-GQSKFBFOSA-N	370.405	2.105	10	10	FECE	
CC(C)(CNC(=O)C(=O)NCCCSc1nccs1)C(F)(F)F	1346328074	VBZKFHRQMDMDOO-UHFFFAOYSA-N	369.434	2.446	10	10	FECE	
CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CNC(=O)c1cccc(O)c1O	2118188174	AZGUHVZPTALXRE-SNVBAGLBSA-N	372.368	2.472	10	10	FECE	
Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)N[C@@H](C)c1ccccc1O	1471193961	ACQAEIYCZFRIRJ-NSHDSACASA-N	354.410	2.416	10	10	FECE	
C[C@H](NC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)c1ccccc1O	1471199207	UFXGJAQSHOSQCF-LBPRGKRZSA-N	367.365	2.431	10	10	FECE	
CCOC(=O)[C@H](C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1)C(C)C	1622579278	VLABTBJZZIYJSK-KRWDZBQOSA-N	366.433	2.318	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCCN(C(C)=O)C1	1498676051	WKFXMBPNQJMXMR-INIZCTEOSA-N	371.485	2.441	10	10	FECE	
C[C@@H]1CN(c2ccnc(C(=O)NCc3cc(O)ccc3O)c2)C[C@@H](C)O1	1633599303	WTVXRIOZPNWVSW-CHWSQXEVSA-N	357.410	2.036	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1)C1COC1	2124537902	CXFQDPWRWBSWSJ-TZMCWYRMSA-N	367.450	2.465	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CC[C@](CO)(Cc2ccc(F)cc2)C1	1636926825	NZPJSOXRUSDPQB-FQEVSTJZSA-N	359.397	2.233	10	10	FECE	
Cc1ccc(F)c(N)c1C(=O)NCc1ccc(N2CCN(C)CC2)cc1	1644526178	DALAMGJIMOAJBS-UHFFFAOYSA-N	356.445	2.398	10	10	FECE	
Cc1ccc([C@@](O)(CC(=O)NCc2ccc(O)cc2O)C(F)(F)F)o1	1570462021	AEYKPXWSSDZVHH-HNNXBMFYSA-N	359.300	2.456	10	10	FECE	
Cc1ccc([C@@H](C)N=c2nc(CNC(=O)OC(C)(C)C)[nH]n2C)c(O)c1	2126793423	AGRKKNVPOHMXEN-GFCCVEGCSA-N	361.446	2.449	10	10	FECE	
CN(C)c1ccc(CNC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1	18214964	WSHJRWYMWQVFAO-IBGZPJMESA-N	365.477	2.460	10	10	FECE	
O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccsc2)SC1=S	1858592534	RLCGXWHYDDRQQE-MOIHINDBSA-N	357.434	2.267	10	10	FECE	
COc1ccccc1/C=C1/SC(=S)N(CCCNC(C)=O)C1=O	1858594131	MGYSCCOUSNDJBH-GXDHUFHOSA-N	350.465	2.423	10	10	FECE	
Nc1ccc(OCC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1	2132354632	RWHFTTRUKGWULA-FXAWDEMLSA-N	351.450	2.381	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC(CCNC(=O)OC(C)(C)C)C1	2134805359	UHSHVEDASIUAAP-ZDUSSCGKSA-N	362.474	2.442	10	10	FECE	
CN[C@@H](c1ccccc1O)[C@@](O)(CCCNC(=O)OC(C)(C)C)COC	1920623950	JIIYVOUNIUESGZ-QFBILLFUSA-N	368.474	2.335	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(F)c(F)c2O)[C@H](O)C1	1972708456	BQKXKWATKRYEFD-CHWSQXEVSA-N	358.385	2.130	10	10	FECE	
C[C@H](N)c1ccc(N2CCC[C@@H]2CS(C)(=O)=O)cc1Br	2151278902	FYXYFMACXKFYQR-CMPLNLGQSA-N	361.305	2.482	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(CCCNCc2ccc(O)c(O)c2)CC1	311313075	WEVCMSOHXMYXLY-UHFFFAOYSA-N	365.474	2.130	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cccc(O)c1O	762574364	XXOOYYIRCZBVAD-YPMHNXCESA-N	350.415	2.473	10	10	FECE	
C[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	2069832399	RUMZKZSPCUEFIX-YGRLFVJLSA-N	356.394	2.008	10	10	FECE	
C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)O)c1ccccc1O	2072481952	MWLYJAXGOXVCRO-FZMZJTMJSA-N	352.431	2.234	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4C[C@@]4(CO)C3)ccc(N)c2C1	2090120159	VQBQDZBZLUDVKC-RBZFPXEDSA-N	359.470	2.381	10	10	FECE	
Cc1cccc(CNC(=O)[C@]23C[C@](NC(=O)OC(C)(C)C)(CO2)C3)c1O	2266004899	GQSVHBMEVDSQRF-WGSAOQKQSA-N	362.426	2.143	10	10	FECE	
CN(C[C@]1(O)CCCN(Cc2ccccc2)C1)C(=O)Cc1ccc(N)cc1	2286362312	LSNFKERDJHDZHP-JOCHJYFZSA-N	367.493	2.297	10	10	FECE	
O=C(NN1C(=O)C(=Cc2ccncc2)SC1=S)c1ccccc1O	2296882956	GLWZDLVESBQTSJ-UHFFFAOYSA-N	357.416	2.333	10	10	FECE	
COCCCN1C(=O)C(=Cc2ccc(N(C)C)cc2)C(C(=O)OC)=C1C	2297308137	OPKBXBOGAMUUQD-UHFFFAOYSA-N	358.438	2.462	10	10	FECE	
COc1ccc(N2C(=O)NC(=O)C(=CNCc3ccc(F)cc3)C2=O)cc1	2297317909	HWUBYJCITTYBJD-UHFFFAOYSA-N	369.352	2.091	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)C1CC(CNC(=O)OC(C)(C)C)(OC)C1	2315987387	RXDAVENJEVRJNY-UHFFFAOYSA-N	355.439	2.465	10	10	FECE	
CCOCCOCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	173023961	ILCFXHWFWVVNIL-AWEZNQCLSA-N	372.412	2.426	10	10	FECE	
CC[C@H](C)[C@H](NC(N)=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1	66931679	LYXVBTSCMWYLHL-LRDDRELGSA-N	352.454	2.371	10	10	FECE	
Cc1nc2n(n1)CCC[C@@H]2NC(=O)/C=C\c1ccc(N2CCOCC2)cc1	255001068	XMSXNBJZLADNGZ-KKMIYCERSA-N	367.453	2.088	10	10	FECE	
CC1=C(C(=O)NCc2cc(Br)ccc2O)C(=O)OC1(C)C	804733631	WPVYTZRSIZTQLW-UHFFFAOYSA-N	354.200	2.423	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CNC(=O)c2ccn(-c3ccc(N)cc3)n2)C1	2162519069	ANANJQJYVROTFH-UHFFFAOYSA-N	371.441	2.051	10	10	FECE	
CCn1ncc2c(C(=O)OCC(=O)C(C)=O)cc(-c3ccccc3)nc21	808499892	QWBKGRXBJDIMJH-UHFFFAOYSA-N	351.362	2.433	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)/C=C\[C@H]3CCCO3)cc2F)CC1	819250880	JEAQHNUUAUULHB-BQLWYNFJSA-N	361.461	2.319	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CCc2nc[nH]c2C1	822552859	BISYNIRTYZDLJI-HNNXBMFYSA-N	356.495	2.384	10	10	FECE	
CCOC(=O)[C@H]1CSCCN1C(=O)c1cc2cc(O)c(O)cc2s1	900114128	QKSFDBAYSIDUBO-SNVBAGLBSA-N	367.448	2.433	10	10	FECE	
COC[C@H]1CCN1C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	838533689	NXPFZNCQHXMOQP-HXUWFJFHSA-N	372.513	2.149	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@]3(C2)CC3(F)F)c1	846579045	JPVWIXUUFRJWTP-CQSZACIVSA-N	360.382	2.025	10	10	FECE	
COc1ccc(N2CC[C@H](N3C(=O)[C@@H]4[C@H]5CCC[C@@H]5CN4C3=O)C2)cc1	849358295	VEAACAPPKBZMLD-KCMWZYNZSA-N	355.438	2.337	10	10	FECE	
COC1CCN(c2ccc(CN3C[C@H](OC)C[C@H]3CC(=O)O)cc2)CC1	846286758	YNXLIUZAFIHFAJ-PKOBYXMFSA-N	362.470	2.366	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)c2cnc3c(cnn3C)c2OC)c1	752597585	YCJJFUMSNFQQMK-SNVBAGLBSA-N	356.382	2.182	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCOCC1CCC1	765303579	ZAPGJZSPBPRSDL-UHFFFAOYSA-N	361.486	2.481	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1C[C@H]1C1CCOCC1	869295259	PHTMWOCGQNMPSL-VQTJNVASSA-N	358.482	2.327	10	10	FECE	
COc1ccc([C@H](C)NC(=O)C(=O)N(C)Cc2ccccc2O)c(OC)c1	1118821156	UJTCLYVGYAJBMY-ZDUSSCGKSA-N	372.421	2.245	10	10	FECE	
COc1ccnc(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1	773978569	MWAIZRFCPWMSQB-UHFFFAOYSA-N	369.465	2.158	10	10	FECE	
C[C@H]1CNc2c(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cnn2C1	1123606445	HZKGILXLEBQTRG-LSDHHAIUSA-N	369.469	2.272	10	10	FECE	
CC(C)c1csc(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)n1	789777963	NWTXIYYWYLQZOI-SNVBAGLBSA-N	363.439	2.364	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccccc1O)[C@@H](O)C(C)(C)C	1877999505	AIZODYSRFSEGDC-LSDHHAIUSA-N	366.458	2.309	10	10	FECE	
CCN(Cc1cn(C)nn1)Cc1c(O)ccc(C(=O)c2ccccc2)c1O	781582390	SAPYXESCYWXNIU-UHFFFAOYSA-N	366.421	2.479	10	10	FECE	
COC(=O)N1CCC(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1	895869308	DMQWVGQQYILVSJ-UHFFFAOYSA-N	350.396	2.273	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCc1cccnc1F	792885507	WOTJPSKLXJUIGK-UHFFFAOYSA-N	372.444	2.429	10	10	FECE	
Oc1ccsc1-c1nnc(N2C[C@@H]3[C@@H](C2)C3(F)F)n1C[C@@H]1CCOC1	1345431559	DOTFMTZRKCNMNL-HBNTYKKESA-N	368.409	2.450	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N[C@@H](CO)c1cccc(Br)c1	1152135967	JBAGKZKUMYXMCI-ZDUSSCGKSA-N	366.211	2.253	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)NCCOCCCO)CCCC1	1328727925	QLLAMFYVUGFRCC-UHFFFAOYSA-N	360.454	2.044	10	10	FECE	
Cc1cc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c(C)cc1O	704010527	QEYVXUVZQPJAIZ-UHFFFAOYSA-N	374.418	2.047	10	10	FECE	
CNC(=O)c1cccc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)n1	1349118022	MMAPSJHVXQVROV-UHFFFAOYSA-N	352.438	2.314	10	10	FECE	
O=C(CCCNC(=O)OCc1ccccc1)NCc1ccc(O)cc1O	1451770685	QSDYGUDZSPQOFI-UHFFFAOYSA-N	358.394	2.421	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)[C@H]3CCCC34OCCO4)CC2)cc1	1623429685	LWFBRIUXPWSGNW-GOSISDBHSA-N	360.454	2.277	10	10	FECE	
C[C@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(O)c(O)c1	1624065043	HGYUAXSFLCZRSM-STQMWFEESA-N	364.442	2.497	10	10	FECE	
Nc1ncc(Br)cc1CNC(=O)/C=C\c1ccc(O)c(O)c1	1638009249	GEIJOXWXFNRDJR-RQOWECAXSA-N	364.199	2.167	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCCNC(=O)c2cc[nH]n2)c1	1637141520	RHKNZMNMJKEJGN-UHFFFAOYSA-N	365.437	2.285	10	10	FECE	
Cc1nnc(N2CCS[C@H](C)C2)n1Cc1ccc(N2CCOCC2)cc1	1726414122	BZJJEPJCGHHEQG-OAHLLOKOSA-N	373.526	2.413	10	10	FECE	
C[C@H](N[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O)c1ccccc1O	1560074969	NBIDONJTASGTBQ-POZUXBRTSA-N	356.422	2.425	10	10	FECE	
CCOc1ccccc1[C@@H](CC(=O)NCc1ccc(O)cc1O)NC(C)=O	1570462554	YJSZHHDIBFMVSQ-QGZVFWFLSA-N	372.421	2.380	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)N1CCC(CN=[N+]=[N-])CC1	2124504471	ZGMZZVHCCANWHK-QGZVFWFLSA-N	367.450	2.297	10	10	FECE	
CC(C)(C)OC(=O)NCc1ncc(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])cn1	2124505456	LOFZTHSSTXAIIC-GFCCVEGCSA-N	361.406	2.416	10	10	FECE	
CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNc2ccc(N)cc2)C1	2044214732	OEPHZOKSPBGXCQ-OAHLLOKOSA-N	369.487	2.105	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(F)ccc2O)[C@H](CO)C1	2052710908	FZKMQCFFQVQDBD-DZGCQCFKSA-N	354.422	2.239	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2060633051	JDRHOWSJFPTJEV-YNEHKIRRSA-N	353.423	2.170	10	10	FECE	
COc1ccc(N2C(=O)C(=Cc3cc(C)n(C)c3C)C(=O)NC2=S)cc1	2296777120	JVSRMEHTIVYPMT-UHFFFAOYSA-N	369.446	2.482	10	10	FECE	
COc1cccc(C=C2C(=O)NC(=O)N(CCc3ccccc3)C2=O)c1	2313548062	KOHGEXNKXQTOAE-UHFFFAOYSA-N	350.374	2.400	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)c1cc(CNC(=O)OC(C)(C)C)nn1C	2315986799	ISKVNUZMMYGHKF-UHFFFAOYSA-N	351.411	2.217	10	10	FECE	
C[C@H](NC[C@H](c1cnn(C)c1)N(C)C)c1ccc(N2CCC(O)CC2)cc1	129940284	PGBCQQPBRFBPSJ-HRAATJIYSA-N	371.529	2.335	10	10	FECE	
Nc1ccc(OCCNc2ncc(I)cn2)cc1	159164768	OHWMBRFUTXRDDW-UHFFFAOYSA-N	356.167	2.154	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CNC(=O)c2ccccc21	625916313	QKEBQIKSIKZAKI-MRXNPFEDSA-N	351.406	2.005	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C	808529411	INMRNQOSFDKJSD-MRXNPFEDSA-N	361.394	2.222	10	10	FECE	
CNCc1ccc(N2CCS(=O)(=O)[C@H](C)[C@@H]2C)c(Br)c1	2170284651	VPLUEWDUZAXFDK-WDEREUQCSA-N	361.305	2.180	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CNC(=O)c1cccc(F)c1	808094760	DEHCMWNEALRTRN-UHFFFAOYSA-N	351.374	2.063	10	10	FECE	
Cc1nn(C)c(C)c1CCCN1C(=O)CN(Cc2ccccc2O)C1=O	819167941	IZBOYBKUWPQJSF-UHFFFAOYSA-N	356.426	2.140	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)N[C@@H](C)c3ccsc3)C2)cc1	827714368	BTEUFVIGRBNVKC-ZFWWWQNUSA-N	373.478	2.329	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)Cc1nnc(C2CCC2)n1C	823576501	QPCWWVUZSXUVOG-UHFFFAOYSA-N	358.442	2.354	10	10	FECE	
COC(=O)[C@@H]1CCN(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)C[C@@H]1C	588576865	GKRLSJMSZLHZAW-YDCSTSJZSA-N	372.465	2.194	10	10	FECE	
CN(C)c1ccc(/C=C\CNCc2ccc(S(=O)(=O)CCO)cc2)cc1	835048923	MTJFLDLHCOBZBV-ARJAWSKDSA-N	374.506	2.322	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)N[C@@H]1CC12CCNCC2	831193410	KFGLEZMKQXZTHL-CYBMUJFWSA-N	354.248	2.096	10	10	FECE	
Cc1ccc(O)c(CNC(=O)[C@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1	912999962	AUUVLQRQDFRYQO-CJNGLKHVSA-N	366.458	2.181	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NCC(C)(C)CS(C)(=O)=O)cc1	914255036	VXAGMSNSHHOCRP-UHFFFAOYSA-N	369.531	2.403	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)c3cnc(C)s3)C2)cc1	849415515	BBSXVYNMRVNLNW-GFCCVEGCSA-N	353.469	2.017	10	10	FECE	
Cc1cc(CC(=O)NC[C@H](CO)[C@H]2CCOC2)c(C)n1-c1ccccc1	846985920	FZYWWXDFEUYBRD-PKOBYXMFSA-N	356.466	2.398	10	10	FECE	
COC1CCN(c2ccc(CN3C[C@@H](C)N(CCO)C[C@H]3C)cc2)CC1	842164050	UGSHOUVORWSLRN-QZTJIDSGSA-N	361.530	2.189	10	10	FECE	
C[C@H](O)[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1	853474092	GOPSSBISZAUHJR-JXFKEZNVSA-N	369.465	2.445	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cccc4c3oc(=O)n4C)C2)cc1	855232942	CNLPISDLYZNDFE-CYBMUJFWSA-N	367.405	2.149	10	10	FECE	
C[C@H](C(=O)NCc1c(O)cccc1F)[C@@H](O)CN(C)C(=O)OC(C)(C)C	928711221	KYSBSZBTEPQJNV-NHYWBVRUSA-N	370.421	2.011	10	10	FECE	
C[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC[C@@H](C)O1	851990942	ZVRMIYTYPQRUSW-CABCVRRESA-N	365.449	2.371	10	10	FECE	
CCCN(CCC)c1ccc(CN[C@H]2CS(=O)(=O)C[C@H]2OC)cc1	850359262	BTXMZGZIEMMIKI-ZWKOTPCHSA-N	354.516	2.215	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Cn3ncc4ccccc43)C2)cc1	855231953	PBVROJXGQSZNEP-INIZCTEOSA-N	350.422	2.440	10	10	FECE	
O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NCc1ccccc1O	769366196	VMLFSRNLQHWJBS-UHFFFAOYSA-N	368.414	2.371	10	10	FECE	
CN(C)c1ccc(CN(CC(=O)N2CCOC[C@H]2C2CC2)C2CC2)cc1	766238916	CGQQAFFGUIJRAE-FQEVSTJZSA-N	357.498	2.354	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)N[C@H]3[C@H]4CCC[C@H]43)CC2)cc1	786872019	LPBKVJFQXUXVBI-ACDBMABISA-N	372.513	2.305	10	10	FECE	
C[C@H](NCCC1CS(=O)(=O)C1)c1cc(Br)cc(F)c1O	786948395	GAXXNJYLFYVUMV-QMMMGPOBSA-N	366.252	2.379	10	10	FECE	
COC(=O)c1c(CN2CCC3(CCNC3=O)CC2)c2cc(F)ccc2n1C	895471118	RGDVOMIXJXAPNU-UHFFFAOYSA-N	373.428	2.206	10	10	FECE	
COc1ccc(N2CCN(CCCNCc3c(C)ccnc3N)CC2)cc1	894153935	PNBMSDIBGOSPHO-UHFFFAOYSA-N	369.513	2.283	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCn3c(C)nnc3[C@@H]2C)c([N+](=O)[O-])c1	1164400462	DTTKRRAJFDHYGZ-XOIDGJRKSA-N	357.370	2.262	10	10	FECE	
CC1(C)[C@H](CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1(F)F	1328016162	OHZHKBTVIIWHEL-HNNXBMFYSA-N	363.408	2.087	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(C(=O)NCCc2ccc(O)c(O)c2)C1	934938842	LJPQYIXAICWIAR-ORAYPTAESA-N	362.426	2.014	10	10	FECE	
O=C(NCc1cccc(O)c1O)[C@@H]1CCCN1c1ncnc2ccccc12	1263894625	OPYKUQLGXBMODX-INIZCTEOSA-N	364.405	2.326	10	10	FECE	
CC(C)c1nnc(N2CCOCC2)n1Cc1ccc(N2CCOCC2)cc1	1509026542	VJCKVJPXNSHMHB-UHFFFAOYSA-N	371.485	2.123	10	10	FECE	
CN1C(=O)CS/C1=C/C(=O)Nc1c(-c2ccccn2)nc2ccccn12	1468659629	QTBXPIKLXJBAON-MHWRWJLKSA-N	365.418	2.381	10	10	FECE	
C[C@@H]1C[C@@H]1n1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1O	1612703698	INQASEVKVOLZAX-HIFRSBDPSA-N	355.442	2.437	10	10	FECE	
C[C@@H](NC(=O)c1nc2ncc(Br)cn2n1)c1ccccc1O	1557966546	GXRVGTAQQGGYRA-MRVPVSSYSA-N	362.187	2.083	10	10	FECE	
C[C@H](NC(=O)c1cccs1)C(=O)NCc1ccc2cccnc2c1O	1638573069	IBFHLCHQTPVBOH-NSHDSACASA-N	355.419	2.437	10	10	FECE	
CCc1c(C(=O)NCc2ccc(O)cc2O)nnn1Cc1ccc(F)cc1	1639444310	GRXYOGKLIGLIFQ-UHFFFAOYSA-N	370.384	2.369	10	10	FECE	
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)Cc1ccc(O)c(O)c1	1566194752	DAXSQUAQJOATOC-UHFFFAOYSA-N	358.394	2.380	10	10	FECE	
COc1ccc(N2CCN([C@@H]3C[C@H]4CCCC[C@H]4NC3=O)CC2)c(OC)c1	1654564717	NLMWCKSZBCDCLA-SZVBFZGTSA-N	373.497	2.273	10	10	FECE	
COCCN(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(N(C)C)cc1C	1771071398	CJRJRKREUVKEKR-KRWDZBQOSA-N	373.501	2.287	10	10	FECE	
Cc1c(C(=O)NCc2c(O)ccc3c2CCCC3)cccc1S(N)(=O)=O	160735310	XALYQCCBBGQCHO-UHFFFAOYSA-N	374.462	2.157	10	10	FECE	
CCCOC(=O)c1ccc(NC(=O)c2nnn(-c3ccc(N)cc3)n2)cc1	1857878772	LXQDIFDFKOQCLN-UHFFFAOYSA-N	366.381	2.064	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H]2OCC[C@H]2CNC(=O)OC(C)(C)C)c1O	2139743444	KVNTVUWRYRPZSU-GOEBONIOSA-N	364.442	2.247	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H](NCc3cccc(O)c3O)CO2)C1	2137110761	JQIAHPSIECIJSG-KUHUBIRLSA-N	364.442	2.356	10	10	FECE	
COCC1(CNCc2cccc(OC)c2O)CN(C(=O)OC(C)(C)C)C1	1972803355	KIQQANCPHHNZDV-UHFFFAOYSA-N	366.458	2.374	10	10	FECE	
C[C@H](NCCC1(O)CN(C(=O)OC(C)(C)C)C1)c1ccc(O)cc1O	2027288828	IIJPJPBYAVHINB-LBPRGKRZSA-N	352.431	2.120	10	10	FECE	
O=C1NC[C@@H]2CN(Cc3cc(Cl)cc(Br)c3O)CC[C@@H]12	2157178815	NHBLRIQMYZJLFZ-MWLCHTKSSA-N	359.651	2.376	10	10	FECE	
CN(c1ccc(CO)c(Br)c1)[C@H]1CCCS(=O)(=O)CC1	694191085	KYGSQJSTDCXVNS-LBPRGKRZSA-N	362.289	2.345	10	10	FECE	
C[C@H]1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1NC(=O)OC(C)(C)C	2054411988	BKKCJAFRRNCAJY-AAEUAGOBSA-N	350.415	2.473	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(C(=O)C(=O)C[C@H]3C[C@H](N)C3)CCC1CC2	2058552033	MICLIJVCKHBECH-UMRQGVPRSA-N	350.459	2.432	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2060638225	UMZJWPBJZNKXNH-RWMBFGLXSA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@]1(C)C(=O)N1CCC(N=[N+]=[N-])CC1	2081168927	KLIGMMUTCPORLG-MRXNPFEDSA-N	353.423	2.314	10	10	FECE	
CC(C)N(CCNC(=O)OC(C)(C)C)C[C@@H](O)COc1ccc(N)cc1	2106751304	RELAXWGUWVXBNP-MRXNPFEDSA-N	367.490	2.244	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1CCOCCN1C(=O)OC(C)(C)C	2106735983	DUTMVGCJBFOMFI-CYBMUJFWSA-N	364.446	2.080	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H]2CC[C@@H](C(=O)O)N2Cc2ccccc2)c1O	2204611381	VGVLWDNYFUXDKU-ROUUACIJSA-N	368.433	2.435	10	10	FECE	
CCC[C@@H](CNS(=O)(=O)Cc1ccc(N)cc1)NC(=O)OC(C)(C)C	2218567272	JSXDIZMTDLPPIW-HNNXBMFYSA-N	371.503	2.382	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N[C@H](CO)Cc1c[nH]c2ccccc12	2308009294	MQFXUCZKBYMPJH-HNNXBMFYSA-N	352.390	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2310284063	KFTMAXNZHSRFAA-JHJVBQTASA-N	353.423	2.048	10	10	FECE	
CN1CCc2cc([C@H](N)c3cc(I)nn3C)ccc21	2335700247	TYULRTXUBPARNU-AWEZNQCLSA-N	368.222	2.065	10	10	FECE	
CCOCCN1CCN(C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1CC	116927985	XJFDBEKCIOUZSD-GOSISDBHSA-N	362.518	2.395	10	10	FECE	
NS(=O)(=O)CCCCCCNCc1ccc(Br)cc1O	2364253420	AYGUZQSXWKSKME-UHFFFAOYSA-N	365.293	2.093	10	10	FECE	
COCCN1CCN(C(=O)c2cc(C)n(-c3ccccc3)c2C)CC1=O	92029222	GZNXDLGQLOSWAE-UHFFFAOYSA-N	355.438	2.025	10	10	FECE	
Nc1ccc(CCNC(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)cc1	237943832	VXNPMUDLZXYDKW-HNNXBMFYSA-N	359.376	2.259	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)N1CCSCC1	92437760	LFGJSOLAECWUBJ-UHFFFAOYSA-N	374.554	2.477	10	10	FECE	
COC1CCN(c2ccc(CN(C)[C@H]3CCN4CCO[C@H]3C4)cc2)CC1	295330091	HHGDJXRISMPNAB-SFTDATJTSA-N	359.514	2.207	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CCCC12OCCO2	806506082	JISYKNNACUSVMQ-QGZVFWFLSA-N	362.495	2.399	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1	808517950	TXEXDLMKNGVWOY-MRXNPFEDSA-N	357.328	2.142	10	10	FECE	
COc1ccc(N2CCN(S(=O)(=O)C[C@@H](CC(C)C)OC)CC2)cc1	817127848	HGONGHJNPBNVJS-GOSISDBHSA-N	370.515	2.208	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)c3cc4c(cn3)OCCO4)C2)cc1	819586586	BMDCHRWJUSWPKO-AWEZNQCLSA-N	369.421	2.118	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@H]3CC[C@@H](OC)C3)cc2F)CC1	826718997	DBMDRWFVHOAXCX-DLBZAZTESA-N	363.477	2.399	10	10	FECE	
NS(=O)(=O)c1cc2c(s1)CCN(Cc1cccc(Cl)c1O)C2	827776616	YGCUNHCWBGHGMH-UHFFFAOYSA-N	358.872	2.313	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3C[C@@H]4[C@@H](C3)[C@H]3C=C[C@H]4CC3)nc12	830854663	DZVZMKNOGMASOX-PYTWLRIVSA-N	368.437	2.256	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N3CCN(C4CC4)C(=O)C3)cc2)CC1	748634651	ZQLWWVPDMVYREK-UHFFFAOYSA-N	370.497	2.439	10	10	FECE	
C[C@@H](C[C@H]1CCC(=O)N1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	925675860	GOWPPEQMRDZHCX-FXAWDEMLSA-N	370.541	2.365	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cc(O)nc(C4CC4)n3)C2)cc1	855223505	AYUBLVOPUZJXRF-CYBMUJFWSA-N	354.410	2.077	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3ccc(O)c(OC)c3)C2)cc1	853289031	IUKWYEJIOMBMAC-OAHLLOKOSA-N	371.437	2.488	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCC[S@@](=O)C(C)(C)C)C2)cc1	852118019	CXKXGPZUDRFADT-HWRSSNJWSA-N	367.515	2.120	10	10	FECE	
COC1CCN(c2ccc(CN3CC[C@@H](N(C)C(=O)N(C)C)C3)cc2)CC1	852652865	GDTSNXXKAQJUFJ-LJQANCHMSA-N	374.529	2.490	10	10	FECE	
Cn1c(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)nc2cnccc21	865457699	OLHMEQGAZGDHCF-HNNXBMFYSA-N	364.453	2.282	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](CO)C2CC2)C1	768163674	MWUUTMQVQZWFQJ-SFHVURJKSA-N	355.482	2.295	10	10	FECE	
CC(C)(C)OCCS(=O)(=O)NCc1cc(Br)ccc1O	867264923	BZLSLECNICYHOY-UHFFFAOYSA-N	366.277	2.389	10	10	FECE	
CCO[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCOC1	864919503	XHHSHEDWWMYIMZ-AEFFLSMTSA-N	364.511	2.298	10	10	FECE	
CCN(CC)c1ccc(CN2C(=O)N[C@@H](c3ccn(C)n3)C2=O)cc1F	761247428	AVRUXMDIRIGWGF-INIZCTEOSA-N	359.405	2.199	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c1O	879930846	IDSNKASTNCPLAP-AAEUAGOBSA-N	357.859	2.115	10	10	FECE	
O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(C(=O)O)cc1Cl	783702268	ULHKGDFOQIGJJY-XYOKQWHBSA-N	352.799	2.341	10	10	FECE	
CCCNC(=O)Cc1csc(NC(=O)/C=C/c2ccc(O)c(O)c2)n1	1152447094	AYSFVMCXPZRFBG-GQCTYLIASA-N	361.423	2.275	10	10	FECE	
CN1CCN(Cc2cc(Cl)cc(Br)c2O)C[C@H]1C(=O)O	708105645	MGNFDZSVZCXGPU-NSHDSACASA-N	363.639	2.009	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C3CCC(NC(C)=O)CC3)C2)cc1	1347269157	JRWWDJJBILMGFT-JCYILVPMSA-N	359.470	2.085	10	10	FECE	
CO[C@H](C)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1O	1503934262	DSPDOUWKOPXJMB-CYBMUJFWSA-N	354.414	2.112	10	10	FECE	
CON(C)c1nnc(CC2CC2)n1Cc1ccc(N2CCOCC2)cc1	1505097073	MXIBIXQSIXDSSU-UHFFFAOYSA-N	357.458	2.113	10	10	FECE	
CC[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)N1CCO[C@H](CC)C1	1442474954	OPMSIBZHNHMWQV-WBVHZDCISA-N	351.466	2.397	10	10	FECE	
O=C(CCN1CC[C@H](F)C1)NCc1ccc(N2CCSCC2)cc1	1291628127	PDNDFUYPAVEQHC-INIZCTEOSA-N	351.491	2.290	10	10	FECE	
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NCc1c(O)cccc1O	1456236341	RLWDUAZGDPVCPV-OAHLLOKOSA-N	374.462	2.266	10	10	FECE	
CN(C)c1ccc(CNC(=O)[C@]2(C(=O)OC(C)(C)C)CCCO2)cc1F	1544308527	MFFJARYJPRXBAM-IBGZPJMESA-N	366.433	2.399	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)NCCCNC(=O)c1ccccc1F	1545111011	CLQXDARISHIXIU-VQHVLOKHSA-N	358.369	2.186	10	10	FECE	
Cc1nc(N2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)n[nH]1	1631806753	ZRUVORDCTLZXEN-UHFFFAOYSA-N	364.453	2.483	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1ccc(S(=O)(=O)CC2CC2)cc1	1633599276	VYPBISDHCDTUCL-UHFFFAOYSA-N	361.419	2.212	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1ccc(CSc2nc[nH]n2)cc1	1639444459	MLPCGXDVPRHDEX-UHFFFAOYSA-N	356.407	2.438	10	10	FECE	
CC(C)C[C@H](CO)N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1565452656	IRTZWORUWCGYKV-MOPGFXCFSA-N	364.534	2.404	10	10	FECE	
O=C(CCn1nc(O)c2ccccc2c1=O)NCc1cccc(Cl)c1O	1637218825	QZEYJRLQJWJZRA-UHFFFAOYSA-N	373.796	2.168	10	10	FECE	
COc1ccc(CN[C@H](C)CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1C	1567224352	USQHPKQEGRDPGQ-JBFYLRDPSA-N	358.482	2.411	10	10	FECE	
Nc1c(F)cc(F)cc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1	1642155490	UWOPMDFILGANJC-UHFFFAOYSA-N	361.392	2.438	10	10	FECE	
CC[C@H](C)[C@H](C(=O)OC)N1CCN(c2ccc(OC)cc2OC)CC1	1655379074	ZCGCLEVYVBOQEK-KBXCAEBGSA-N	350.459	2.414	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1	156625452	BLEWPRVDAYZIBQ-HZPDHXFCSA-N	360.454	2.185	10	10	FECE	
Cc1ccc(C)c(N2C[C@H](C(=O)NCCc3ccc(O)c(O)c3)CC2=O)c1	1860314839	YIOHJOVRNPGGGL-MRXNPFEDSA-N	368.433	2.426	10	10	FECE	
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1	2132349948	IUXPQNAOPGICPR-CZUORRHYSA-N	356.422	2.444	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)COCCNC(=O)OC(C)(C)C	1968790724	MTCXTYQENIAMRT-ZDUSSCGKSA-N	352.431	2.453	10	10	FECE	
CO[C@@](C)(CCN)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	1951991795	CSDDBAFZZXAOKZ-YJBOKZPZSA-N	354.447	2.288	10	10	FECE	
CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2CC[C@H](O)CO	2044539937	XFCCZWVSBMTKAC-INIZCTEOSA-N	350.459	2.207	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CO1	2060609497	WMHVEZRGWQHEST-UPJWGTAASA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](C(=O)NCCCN=[N+]=[N-])C[C@H]21	2079201314	NNMOLFHNNQLWJU-YNEHKIRRSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)COc2ccc(N)cc2)C1	2106235451	OHAKLRRCFFYIAK-DZGCQCFKSA-N	363.458	2.457	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Nc2ccc(N)cc2)[C@@H]2COC[C@H]12	2106698840	DQPAODNKJVMKNR-RBSFLKMASA-N	362.430	2.025	10	10	FECE	
COCC[C@@H](CNCc1cc(OC)ccc1O)NC(=O)OC(C)(C)C	2218564171	BSSJOXGSYPVGCA-AWEZNQCLSA-N	354.447	2.420	10	10	FECE	
CN1CCc2cc(N3CC[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)C3)ccc21	2226801288	BIHXCMNXXAWHJK-DOTOQJQBSA-N	361.486	2.391	10	10	FECE	
Cc1nn(C)c(C)c1N/C=C1/C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O	59858262	SEPVCGGEAWXDNE-JYRVWZFOSA-N	373.800	2.269	10	10	FECE	
CC(=O)Nc1ccc(N2C(=O)C/C(=C/c3ccc(O)c(O)c3)C2=O)cc1	102732455	BCZUDJHKDZAEIZ-JYRVWZFOSA-N	352.346	2.403	10	10	FECE	
Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCOc2cc(N(C)C)ccc21	174063087	IGNFHUZYCBTHRZ-UHFFFAOYSA-N	370.862	2.036	10	10	FECE	
CN1C(=O)/C(=C/c2nc3ccccc3c(=O)n2CCCO)c2ccccc21	33431865	KOTYTERACLWGKP-DTQAZKPQSA-N	361.401	2.296	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N1CCCSCC1	817859379	BUCSOXQWJGICFY-HNNXBMFYSA-N	363.527	2.074	10	10	FECE	
COc1ccc(N2CC[C@H](CNS(=O)(=O)[C@H]3CCO[C@@H](C)C3)C2)cc1	819888472	WNAVQLZKGNSQMB-DAYGRLMNSA-N	368.499	2.008	10	10	FECE	
CCNC(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2O)cc1	821156975	CHWYAIHVINWXBI-UHFFFAOYSA-N	356.350	2.221	10	10	FECE	
Cc1occc1C(=O)NC1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	588408202	IMBRZLNZGGNUFC-HYXAFXHYSA-N	370.405	2.433	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC23CCN(CC2)C3)cc1	913637179	AUYNPGDZBROPPC-UHFFFAOYSA-N	351.450	2.414	10	10	FECE	
CCOC(=O)c1cnc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)n1C	841714823	VXLSMGOKYAOEPS-JTQLQIEISA-N	362.386	2.194	10	10	FECE	
C[C@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)C[C@@H](c2ccc(F)cc2)O1	841049896	XMDAVZAAJJKSIV-SJCJKPOMSA-N	357.385	2.335	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N2[C@H]3CC[C@H]2CC(CCF)C3)cc1	929236341	ATVUFAHTZRAJLB-ROUUACIJSA-N	361.461	2.498	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCC(=O)Nc3ccccc3)C2)cc1	852453339	KZGYBJBOPQQUSP-MRXNPFEDSA-N	368.437	2.212	10	10	FECE	
COCc1n[nH]c(CN[C@H](C)c2cc(Br)c(F)cc2O)n1	850515288	VUBLFLCWVLSQBA-SSDOTTSWSA-N	359.199	2.409	10	10	FECE	
CC1(C)[C@H]2NCCC[C@H]2[C@H]1NCc1ccc(N2CCC(C(N)=O)CC2)cc1	925777351	MSVPYZXHJASKFJ-HSALFYBXSA-N	370.541	2.255	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CC[C@H]3[C@H]2CCCN3CCO)c1O	934263226	NLPNIFNBJPDYFA-SJORKVTESA-N	352.862	2.279	10	10	FECE	
C[C@@H](Sc1nnnn1C1CC1)C(=O)NCc1ccc2cccnc2c1O	862027818	GSASGDHLJVSKEJ-SNVBAGLBSA-N	370.438	2.059	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCCc2ncn(C)n2)c1	862094552	CDGIELDCIIQMED-UHFFFAOYSA-N	365.437	2.398	10	10	FECE	
CCN(CC)c1ccc(CN2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@H]3C(=O)OC)cc1	770377305	ZZJNWWZKEBJRHF-VJANTYMQSA-N	374.481	2.458	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CC[C@@H]1CCOC1	1137816712	OZVDJYKKAQGFFP-GFCCVEGCSA-N	355.818	2.364	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)Cc1ccc(F)cn1	795889404	SIXBRPKPJXTKAY-UHFFFAOYSA-N	359.401	2.031	10	10	FECE	
Cc1cc(CCNC(=O)N[C@H]2C(=O)NCC[C@H]2C)c(C)n1-c1ccccc1	799399271	FXYDATAPMOXSKA-AUUYWEPGSA-N	368.481	2.460	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)N3CCC=C(C)C3)CC2)cc1	798058216	BGHSUKVTLLXUGN-UHFFFAOYSA-N	358.486	2.179	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CC[C@H](C(F)(F)F)[C@H]3C)nc12	791585201	SKSDOELBJFFTFK-SKDRFNHKSA-N	372.347	2.384	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)NCc2ccccc2O)C1	1962836333	BOMSEYREFGRMNL-AWEZNQCLSA-N	350.415	2.034	10	10	FECE	
COC(=O)c1cnc([C@@H](C)NC(=O)NCc2c(O)cccc2F)s1	1312897189	SBNPAHLWFWYUOC-MRVPVSSYSA-N	353.375	2.335	10	10	FECE	
COc1ccc(CNC(=O)NCCc2c(F)cc(O)cc2F)c(O)c1	1313337746	BEPYMDDBXVEAHE-UHFFFAOYSA-N	352.337	2.427	10	10	FECE	
Nc1ccc(CC(=O)NC2(C(=O)O)CCN(Cc3ccccc3)CC2)cc1	692303246	SHLFRDWBFUUJCV-UHFFFAOYSA-N	367.449	2.047	10	10	FECE	
O=C(NCc1ccc(O)cc1O)[C@H]1CCc2nnc(-c3ccccc3)n2C1	1469159755	NABWTRKOQNGJEB-HNNXBMFYSA-N	364.405	2.235	10	10	FECE	
COC(=O)CN(CC(=O)Nc1ccccn1)Cc1cc(Cl)ccc1O	1559607837	YRUNWGQBIGTCCL-UHFFFAOYSA-N	363.801	2.054	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])C[C@@H]2OCC[C@H]21	2124503008	GFUNHQIYNZQKEU-CRWXNKLISA-N	365.434	2.455	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2124503764	OZMNGGBOIVVLOM-GUYCJALGSA-N	367.450	2.440	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCC[C@@H](N=[N+]=[N-])C1)[C@H]1CCOC1	2124506596	ZGRZYQPMUDBSKH-MJBXVCDLSA-N	367.450	2.465	10	10	FECE	
CC(=O)OCC(C)(C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1640232252	MUCKOSYSLGCROT-GOSISDBHSA-N	363.502	2.451	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1CC(=O)NCCc1ccc(O)c(O)c1	2126624076	WMBDCXJVFBITJD-UONOGXRCSA-N	364.442	2.450	10	10	FECE	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)cc1C	6173814	HJUMUWWZTWNEIF-JYRVWZFOSA-N	355.306	2.471	10	10	FECE	
CCN1CCN([C@H](C)CN[C@@H](C)c2ccc(N3CCC(O)CC3)cc2)CC1	155566303	LUWULBWVYQQGDK-MOPGFXCFSA-N	374.573	2.324	10	10	FECE	
C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@H]1CCN(Cc2ccccc2)C1	2132349053	XRDHYYMMNFEUEF-HIFRSBDPSA-N	356.422	2.444	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H](NCc3ccc(O)cc3O)CO2)C1	2137113396	WPOMIVPXOPPCHL-KUHUBIRLSA-N	364.442	2.356	10	10	FECE	
Nc1ccc(O)c(CN2CC[C@@H](N3CCN(Cc4ccccc4)CC3)C2)c1	312487343	ORLPMZNIRGXTLM-OAQYLSRUSA-N	366.509	2.367	10	10	FECE	
CCN(CCNC(=O)OC(C)(C)C)C(=O)c1ccn(-c2ccc(N)cc2)n1	2163056753	VJJNNNHWLICVGZ-UHFFFAOYSA-N	373.457	2.441	10	10	FECE	
CN(C(=O)CN1C[C@H]2CC[C@]2(NC(=O)OC(C)(C)C)C1)c1ccc(N)cc1	2163039380	PBJDOXMUEOZWOA-VLIAUNLRSA-N	374.485	2.221	10	10	FECE	
CCN(c1ccc([C@H](C)N)cc1Br)[C@H]1CCS(=O)(=O)C1	387327941	CPXCJWJAVRBQJA-JQWIXIFHSA-N	361.305	2.482	10	10	FECE	
Nc1ccc(OCC(=O)NCCCOCCOCc2ccccc2)cc1	390497660	SQHKNKCTOPZGJC-UHFFFAOYSA-N	358.438	2.387	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNCc2c(O)cccc2F)C1	2042600613	BIGKEENBKKJVOC-ZDUSSCGKSA-N	353.438	2.172	10	10	FECE	
CCON(CCNC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1ccc(N)cc1	2106749851	FNKMBKWLQLLPMO-ZDUSSCGKSA-N	366.462	2.374	10	10	FECE	
CC(C)(C)OC(=O)N1CCCN(CCNCc2ccc(O)cc2O)CC1	2112026206	CVJSDFJOEPNERE-UHFFFAOYSA-N	365.474	2.130	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2218746221	PQYZCAAHIOQGKY-FDYHWXHSSA-N	353.423	2.358	10	10	FECE	
COc1cc(C=C2C(=O)NN(c3ccc(C)cc3)C2=O)cc([N+](=O)[O-])c1O	2297296603	LSPXELCXNCFDKU-UHFFFAOYSA-N	369.333	2.079	10	10	FECE	
COc1cc(C=C2SC(=S)N(C[C@H](C)O)C2=O)cc(OC)c1OC	2318684330	ZLJLNSGQGBBRMI-VIFPVBQESA-N	369.464	2.294	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CC(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)C1	2331230535	RVNAXRADPOCDQT-BFHYXJOUSA-N	367.450	2.153	10	10	FECE	
Cc1cc(O)c(CN2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)cc1C	117325879	RRVXLGRKDMJOIS-HXUWFJFHSA-N	361.530	2.236	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ncn(C3CCCCC3)n2)cc1	185516766	KNWREEUONZHZLH-UHFFFAOYSA-N	370.457	2.104	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N2CCCN(C)c3cc(F)ccc32)c1	78191092	NCPAGPSETYDITA-QPJJXVBHSA-N	368.412	2.467	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc(C(N)=S)cc3)CC2)cc1	43964287	FOHWGGNOALWCAY-UHFFFAOYSA-N	355.463	2.292	10	10	FECE	
C[C@H]1COCC[C@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	277373441	FVNHTJNAVDWDSZ-HNAYVOBHSA-N	361.486	2.120	10	10	FECE	
CO[C@@H]1CCCC[C@H]1C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1	294884741	LEBACXQAXBJSTI-WOJBJXKFSA-N	373.497	2.177	10	10	FECE	
Cn1c(COc2ccc(N3CCCCC3)c(Cl)c2)cc(=O)n(C)c1=O	817382014	NWDNECOCVHAQFG-UHFFFAOYSA-N	363.845	2.307	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1)C2	818095436	AKCAMPQRTPSTOX-JZXOWHBKSA-N	374.485	2.419	10	10	FECE	
C[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCCO1	906856007	CICLPDHZCWDBLQ-ACJLOTCBSA-N	350.434	2.218	10	10	FECE	
CN(C)CCNC(=O)C1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1	835028878	UOMFZCHXGUYMHT-WAYWQWQTSA-N	358.530	2.156	10	10	FECE	
CN1CCCc2cc(CNC(=O)NC[C@@H]3CCN3C3CCOCC3)ccc21	915390861	SUFNQTRHMFTGEM-IBGZPJMESA-N	372.513	2.122	10	10	FECE	
C[C@@H]1C[C@@H](N[C@@H]2CCN(c3ccc4nncn4n3)C2)c2c(O)ccc(F)c21	858488678	JUQZPSWVBLFHMO-YRGRVCCFSA-N	368.416	2.386	10	10	FECE	
C[C@H]1CCC[C@H](CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)O1	851989945	MIKJPNZBJDQWKQ-GOEBONIOSA-N	365.449	2.419	10	10	FECE	
CO[C@@H]1CCC[C@@H]([C@@H](CO)NC(=O)NCc2ccc(N(C)C)cc2C)C1	853748778	IZIBZUVTXRXFTM-ATZDWAIDSA-N	363.502	2.426	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)NCC[S@@](=O)CC(F)(F)F)c1	852461829	LFKBSTWZQMWTNF-UZKFNYRNSA-N	368.377	2.072	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3nc([C@@H]4C[C@@H]4C)no3)C2)cc1	866011295	YMPGDXLGPGODFM-WOSRLPQWSA-N	356.426	2.458	10	10	FECE	
CC(=O)N1CCc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3O)cc21	867834574	QVDHZKJGKCPSPB-LBPRGKRZSA-N	360.435	2.341	10	10	FECE	
c1cnc(CCN2CCN(Cc3ccc(N4CCCC4)cc3)CC2)cn1	1119304218	PWBNVLIKHSSWRH-UHFFFAOYSA-N	351.498	2.437	10	10	FECE	
C[C@@H](O)[C@H]1CN(Cc2cc(Cl)cc(Br)c2O)CCO1	895015173	DLJROXCRGVXMDS-PRHODGIISA-N	350.640	2.390	10	10	FECE	
COc1cc(NS(=O)(=O)c2cncc(Br)c2)ccc1O	795361923	JMYIWJBBTVUBTD-UHFFFAOYSA-N	359.201	2.359	10	10	FECE	
CN1CCCc2cc(CNC(=O)NC3(CO)Cc4ccccc4C3)ccc21	798108278	NXRBOTABVQOLBS-UHFFFAOYSA-N	365.477	2.398	10	10	FECE	
C[C@H]1[C@@H](NC(=O)NCc2ccccc2O)CC(=O)N1Cc1ccccc1	798396274	WYHPQQAEQFPTGR-YOEHRIQHSA-N	353.422	2.381	10	10	FECE	
COCCc1nnc(-c2cccc(C(=O)NCc3cc(O)ccc3O)c2)o1	1303225534	KVLCCWSUHLJLLP-UHFFFAOYSA-N	369.377	2.267	10	10	FECE	
COc1ccc(C2=NO[C@H](CNC(=O)c3c(F)ccc(O)c3O)C2)cc1	1306831842	XOLDBMQRMUBPQX-LBPRGKRZSA-N	360.341	2.169	10	10	FECE	
Cc1nnnn1-c1ccc(C(=O)NCc2cccc(Cl)c2O)c(F)c1	1159041590	TVYCPCLCYJZFDV-UHFFFAOYSA-N	361.764	2.399	10	10	FECE	
CC(C)c1n[nH]c(CC2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)n1	1164362824	PTNHNRKLVFVZEC-UHFFFAOYSA-N	358.442	2.363	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cc3ccnc(F)c3)CC2)c(OC)c1	1454470961	QBMUORVJHQXIBN-UHFFFAOYSA-N	359.401	2.129	10	10	FECE	
CS(=O)(=O)c1ccc(N)c(C(=O)NCCCSc2nccs2)c1	1292997999	XNCQQNUUWRNUHY-UHFFFAOYSA-N	371.509	2.041	10	10	FECE	
CCOc1cccc(CN=c2[nH]ccnc2I)c1O	2121643564	YQUXJPKZUFEYGU-UHFFFAOYSA-N	371.178	2.220	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1C(=O)Nc2ccc(F)cc21	1633818225	FKXSQGWIMIAIAF-QMTHXVAHSA-N	358.369	2.410	10	10	FECE	
Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)c1cc2cc(O)c(O)cc2s1	1637467899	WUQZSFDCEMFIKI-ZDUSSCGKSA-N	361.423	2.126	10	10	FECE	
COc1ccc(CN[C@@H]2CC[C@H](CNC(=O)CCn3cncn3)C2)cc1C	1565887950	NJZGVNZHZIXPBO-ZWKOTPCHSA-N	371.485	2.060	10	10	FECE	
CCCS(=O)(=O)Nc1ccc(C(=O)NCc2c(O)cccc2O)cc1	1652625570	HSCUGKAFSNCOKY-UHFFFAOYSA-N	364.423	2.180	10	10	FECE	
CC(C)c1ocnc1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	1598009487	NWABTQGUDQDCSK-UHFFFAOYSA-N	370.453	2.430	10	10	FECE	
O=C(N[C@@H]1CCN(C(=O)OCc2ccccc2)C1)c1cccc(O)c1O	1982316759	FWUPIOHTNUGQGN-CQSZACIVSA-N	356.378	2.239	10	10	FECE	
O=C(N1CCCC[C@@H]1CNCc1cc2c(cc1O)OCO2)C(F)(F)F	401198311	NASPCABWVHPVRD-LLVKDONJSA-N	360.332	2.154	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](C2CC2)[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1	2049782898	OHFKNPQANJMDII-XKVFNRALSA-N	350.459	2.288	10	10	FECE	
CCN(CCN(C)CC(=O)Nc1ccc(N)cc1)C(=O)OC(C)(C)C	2044596834	ZCUSCKHTGQSJDX-UHFFFAOYSA-N	350.463	2.396	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)Nc1ccc(N)cc1	2058676975	RLCMILQTZAOZHW-ZIAGYGMSSA-N	350.419	2.025	10	10	FECE	
COCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1O	2060480030	UFQAELISFVLUER-AWEZNQCLSA-N	352.431	2.328	10	10	FECE	
C[C@@H]1C[C@@H]1NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2080888770	QWODPQCDWJCUTC-WXHSDQCUSA-N	350.415	2.058	10	10	FECE	
COc1ccc(CNC[C@@H]2CO[C@@H](CNC(=O)OC(C)(C)C)C2)c(O)c1	2102870990	SBQVOWYDVYFQFX-CZUORRHYSA-N	366.458	2.420	10	10	FECE	
COC(=O)[C@@H](CCNCc1ccc(C)cc1O)NC(=O)OC(C)(C)C	2084073533	KSWSDCRMZNSLGO-CQSZACIVSA-N	352.431	2.247	10	10	FECE	
CN(CC1(O)CC(C(=O)O)C1)c1ccc(CNC(=O)OC(C)(C)C)cc1	2110189591	UANPEXFRGCPBFK-UHFFFAOYSA-N	364.442	2.373	10	10	FECE	
O=S(=O)(CCNCc1cc(Br)ccc1O)C(F)(F)F	2224284681	CQYQEIOTXYPZCN-UHFFFAOYSA-N	362.167	2.179	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)N1CC[C@H](CN=[N+]=[N-])C1)[C@H]1CCOC1	2259889039	FPGQMLUXKCVUQG-OLZOCXBDSA-N	353.423	2.171	10	10	FECE	
Cc1nn(C)c(Cl)c1C=CC(=O)N1CCCc2c(C(N)=O)cccc21	2297320471	ITQQUHPBQBMDCP-UHFFFAOYSA-N	358.829	2.473	10	10	FECE	
CC(C)Oc1cccc(C=C2SC(=S)N([C@@H](CO)C(=O)O)C2=O)c1	2323831621	LQGCYPAHHGLKBI-LBPRGKRZSA-N	367.448	2.121	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@](C(=O)C(=O)C[C@H]3C[C@H](N)C3)(C2)C1	2311433802	IVJAFWZQJQOBGS-QGDIXAPHSA-N	350.459	2.289	10	10	FECE	
CS(=O)(=O)[C@@H]1CC[C@@H]1NCc1cc(Cl)cc(Br)c1O	2342596098	LTTOQCASEUQHON-WDEREUQCSA-N	368.680	2.473	10	10	FECE	
C[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]1(NCc1ccc(N(C)C)cc1)C(=O)O	2349140874	RXBJBRSEMLQHKC-DJJJIMSYSA-N	363.458	2.305	10	10	FECE	
COC(=O)C1=CN(c2ccc(C(=O)OC)cc2)c2ccccc2S1(=O)=O	64979151	AILRFOZNYDCARV-UHFFFAOYSA-N	373.386	2.413	10	10	FECE	
Cc1cc(C(=O)N2CCN(CCO)[C@H](C)C2)c(C)n1-c1ccc(C#N)cc1	187262062	HUNHTTUGFZWJFB-MRXNPFEDSA-N	366.465	2.104	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnn4c3CCCC4)CC2)cc1F	128259754	VWYMKYBYBFPQFJ-UHFFFAOYSA-N	358.417	2.330	10	10	FECE	
Cc1cncn1CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	528858731	BHKGBLDJRAXVEA-INIZCTEOSA-N	362.861	2.331	10	10	FECE	
COc1ccc(N2CCN(c3ncc(C(=O)N4CCCC4)cn3)CC2)cc1	243525459	OAGMMSAJKDTOOE-UHFFFAOYSA-N	367.453	2.048	10	10	FECE	
O=C(/C=C\c1ccc(C(=O)NC2CC2)cc1)NCc1ccc(O)c(O)c1	255668574	JZYXMLGDBXQXFY-WMZJFQQLSA-N	352.390	2.320	10	10	FECE	
Cc1ccc(CN(C)C[C@@H]2CCCS2(=O)=O)c(O)c1Br	2381136685	IEAMZTZWURMZGC-LBPRGKRZSA-N	362.289	2.472	10	10	FECE	
Nc1ccc(CCNC(=O)[C@H]2CC[C@H](C(=O)O)N2Cc2ccccc2)cc1	2162221125	LMJAYRAQMZDJOR-RTBURBONSA-N	367.449	2.045	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H](O)C2CC2)C1	569329480	FGTFMUWWQOJXPN-HXUWFJFHSA-N	355.482	2.295	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@]2(CCNC2)C1	817973317	CPLULDNWUDEWSZ-NRFANRHFSA-N	373.497	2.123	10	10	FECE	
CC1(C)C(=O)Nc2cc(C(=O)OCC(=O)c3ccc(O)c(O)c3)ccc21	815409143	ILKSOHIPKLDAOL-UHFFFAOYSA-N	355.346	2.367	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)COCc3cc(C)no3)C2)cc1	819590304	KGXUMUYSKJYKKI-OAHLLOKOSA-N	359.426	2.151	10	10	FECE	
CCO[C@@H]1[C@@H](C)[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	906859425	RNSYMKLKZTXHIV-JBBXEZCESA-N	350.434	2.074	10	10	FECE	
COc1ccc([C@]2(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)C[C@H](O)C2)cc1	907274436	QSURKDMGDSBSCS-NZCGUCNHSA-N	371.433	2.246	10	10	FECE	
CC(C)C(=O)Nc1ccc(NC(=O)C(=O)NCCc2ccc(N)cc2)cc1	841173910	CTPQCCLHLIHUHB-UHFFFAOYSA-N	368.437	2.161	10	10	FECE	
CN(C)c1ccc(/C=C/C=c2sc(=CC(=O)C(C)(C)C)[nH]c2=O)cc1	840712340	BAEAXQZZIABDHV-YDBBEZDSSA-N	356.491	2.392	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@H](O)C(F)(F)C1	853436384	VPENIVGDDQLFFT-HNNXBMFYSA-N	371.453	2.151	10	10	FECE	
O=S1(=O)CCN(c2ccc(CNc3nc(C4CCC4)no3)cc2)CC1	853793183	REBSKURQLSPTOM-UHFFFAOYSA-N	362.455	2.184	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C(=O)NCC23CCOCC3)cc1	923957467	PKALWXHUBHQMSH-GOSISDBHSA-N	367.449	2.119	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](c3ccco3)N(C)C)C2)cc1	853233315	MEVXWQXFOXHLRD-CRAIPNDOSA-N	372.469	2.469	10	10	FECE	
COCCN(CCF)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	852012602	MWYDAMARLNYSBW-OAHLLOKOSA-N	353.438	2.212	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	868888479	BOYZXWMZZNUIPO-MAZHCROVSA-N	374.403	2.455	10	10	FECE	
C[C@H](NC(=O)NCc1nn(C)cc1Br)c1ccccc1O	868671368	YUGYWUMEZIHUOV-VIFPVBQESA-N	353.220	2.449	10	10	FECE	
O=C1C[C@H](CN2C(=O)CN(Cc3ccccc3O)C2=O)Oc2ccccc21	865330084	OFDWSXUWTOQEID-CQSZACIVSA-N	366.373	2.190	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CN1CCCCC(=O)C1=O	864949328	IFVDSERHLXRWAL-UHFFFAOYSA-N	359.470	2.071	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2	762268548	JZZDSSVQPXHNSK-LSDHHAIUSA-N	355.390	2.331	10	10	FECE	
Cc1nnccc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	776486643	GLSJPXKRRXWYRE-UHFFFAOYSA-N	359.405	2.207	10	10	FECE	
Cc1ccc(S(=O)(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)o1	773303511	XMRBXDUMSUKIRU-UHFFFAOYSA-N	368.430	2.167	10	10	FECE	
COc1ccc(N2CCN(S(=O)(=O)c3ccc(C)o3)CC2)cc1F	773325220	QBJIXYWCNDXSAP-UHFFFAOYSA-N	354.403	2.247	10	10	FECE	
CN1C[C@@H]2CC[C@H](NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)[C@H]2C1	1123704481	BXIKMHFGBLYXAS-WNHJNPCNSA-N	373.497	2.423	10	10	FECE	
CC1(C)NC(=O)N(Cc2ccc(N3CCN(CC4CC4)CC3)cc2)C1=O	777673314	IYLFOJGKCFEXQP-UHFFFAOYSA-N	356.470	2.049	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@@H]1[C@@H]2CCCO[C@H]21	780026615	YUSGFDJTFQQGNX-PWRODBHTSA-N	369.509	2.260	10	10	FECE	
CCN1CC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	1136284771	BVAHQPSFRPQUIU-MRXNPFEDSA-N	371.403	2.252	10	10	FECE	
CO[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1	1326499412	RAHGMMCQCQTPOB-IEBWSBKVSA-N	373.497	2.223	10	10	FECE	
Cc1ccn([C@@H](C)CC(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)n1	1327158905	TTXRRHPEGUXFKO-INIZCTEOSA-N	372.469	2.410	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)N[C@@H]1C[C@@H]2CCCC[C@@H]21	1332125724	PGUUDTVAAWPIOV-RWMBFGLXSA-N	353.513	2.436	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC1CC2(C1)CC2(F)F	1330355296	DKROOYOXNONWTG-UHFFFAOYSA-N	363.408	2.207	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)CCSc2ncnc3[nH]cnc23)c1	1445971712	XRKPMTYBIXKDBT-SNVBAGLBSA-N	373.438	2.427	10	10	FECE	
C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO)c1c(O)cccc1O	2116264418	FEYMWKAHHKXBPN-BFHYXJOUSA-N	366.458	2.366	10	10	FECE	
CCO[C@@H]1COC[C@H]1NC(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2	1525741255	DHKYOOSLUKWZOR-YLJYHZDGSA-N	372.465	2.449	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1ncoc1-c1ccc2c(c1)OCCO2	1451765661	GXOFSPZBEJQRFT-UHFFFAOYSA-N	368.345	2.454	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H](CO)[C@@H](F)C3)ccc(N)c2C1	2120625368	CYQPVTAMXGGPRA-WFASDCNBSA-N	365.449	2.329	10	10	FECE	
CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CN=[N+]=[N-])CC1	2124502705	BYDMZPOXEZNFQQ-CQSZACIVSA-N	368.482	2.380	10	10	FECE	
C[C@H](CCN(C)C)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	1638688206	CUZCCBJNMBPIER-CYBMUJFWSA-N	355.429	2.005	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCCNC(=O)C[C@@H]2C[C@H]2C2CC2)cc1	1575393984	JNCWAMIHUIRZEO-ZFWWWQNUSA-N	357.414	2.131	10	10	FECE	
COc1cc(O)c(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)cc1OC	160261919	GRYYOVVNYSLSGF-MRXNPFEDSA-N	361.442	2.124	10	10	FECE	
Nc1ccc(OC[C@H](O)CN(Cc2ccccc2)[C@H](CO)C2CC2)cc1	1915199360	WSNVSJRLAYDUOH-TZIWHRDSSA-N	356.466	2.282	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)N3CCC[C@@H]3CN=[N+]=[N-])O2)C1	2140447372	VLSGEYCEKBCYDV-CHWSQXEVSA-N	365.434	2.456	10	10	FECE	
CC(C)(C)OC(=O)N1CC(F)(CNCc2cc3c(cc2O)OCO3)C1	2029848338	SGJYANSTVHIEPJ-UHFFFAOYSA-N	354.378	2.170	10	10	FECE	
CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(O)c(O)c1	2084785424	SUPFLYNGBFCUKB-RISCZKNCSA-N	368.455	2.179	10	10	FECE	
CN(C)CCCN(Cc1ccccc1)C[C@H](O)COc1ccc(N)cc1	2095862025	QEDNRDRCKZGNPJ-FQEVSTJZSA-N	357.498	2.462	10	10	FECE	
CN(CCn1cc(C(=O)N(C)CCN=[N+]=[N-])cn1)C(=O)OC(C)(C)C	2218301196	KUINBXCLSWIPRJ-UHFFFAOYSA-N	351.411	2.132	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]12C[C@H]1CN(CC(=O)Nc1ccc(N)cc1)C2	2272657569	PGXILZIRSYHYMM-ORAYPTAESA-N	360.458	2.054	10	10	FECE	
Cc1ccc(C(=O)NCCNC(=O)C=Cc2ccc(O)c(O)c2)cc1F	2307982045	LLQLDVMIOMQCSM-UHFFFAOYSA-N	358.369	2.105	10	10	FECE	
C[C@@H](NC(=O)C=Cc1ccc(O)c(O)c1)C1(N2CCOCC2)CCCC1	2307987955	VGDVOEFOUGUDAH-OAHLLOKOSA-N	360.454	2.261	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)C2	2310347708	MPFZJIJANKXVFJ-JCHZFPLDSA-N	350.459	2.430	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2312333614	RQMVEUGZWBYTMG-NDBYEHHHSA-N	353.423	2.264	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCc2cc(O)c(O)cc2C1	2341196460	HBWCEACYGGHCHC-BZNIZROVSA-N	362.426	2.238	10	10	FECE	
CN[C@H](c1ccccc1O)[C@H](O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	2344660475	QWKCGELPBJENMG-KBRIMQKVSA-N	366.458	2.040	10	10	FECE	
Cc1ccc(-n2c(C)cc(C(=O)CN[C@H]3CCS(=O)(=O)C3)c2C)cc1	62658943	VDASTXMEVDGECN-INIZCTEOSA-N	360.479	2.362	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1	122441444	QSJQQQNWANYBFD-SNVBAGLBSA-N	369.343	2.304	10	10	FECE	
CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1NCc1ccc(O)c(O)c1	302118993	SVZLOJCKUHDFLH-APHBMKBZSA-N	352.431	2.258	10	10	FECE	
CN(CCOCC1CC1)c1cc2c(cc1Br)[C@@H](N)C(=O)N2	94989869	XSLOLVFFBPOSGB-CQSZACIVSA-N	354.248	2.264	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCC[C@H]2CCOC2)cc1	807325736	JSXWFXVVKRDMPV-KRWDZBQOSA-N	361.486	2.034	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C	806820765	NXUGIMCPTKDDOQ-WBVHZDCISA-N	351.491	2.018	10	10	FECE	
COc1ccc(O)c(CNc2ccc(S(N)(=O)=O)c3cccnc23)c1	811805822	BBIGYMHBXDYGQU-UHFFFAOYSA-N	359.407	2.209	10	10	FECE	
Cc1cc(O)c(CN2CCC[C@H](C(=O)N3CCOCC3)C2)cc1Cl	824548572	OZDRQDCXLLKKKX-AWEZNQCLSA-N	352.862	2.425	10	10	FECE	
C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCN1C	823548589	REYCDAVGJNYJMX-QFBILLFUSA-N	374.529	2.272	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@]1(C)C[C@H](O)CN1C(=O)OC(C)(C)C	901052393	IYIJYBKVSUVUFW-IFXJQAMLSA-N	364.442	2.111	10	10	FECE	
Cc1cc(C(=O)Cn2cnnc2[S@@](C)=O)c(C)n1-c1ccc(F)cc1	732717954	MTBXOYUCJQUHQM-RUZDIDTESA-N	360.414	2.445	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)C3(C(=O)OC(C)(C)C)CC3)cc2)CC1	918844852	IBBLRPFOJRUJIE-UHFFFAOYSA-N	373.497	2.177	10	10	FECE	
C[C@H](C(=O)N[C@H](C)c1ccccc1O)[C@H](O)CN(C)C(=O)OC(C)(C)C	913764013	YFPABVAXLFRCED-WOSRLPQWSA-N	366.458	2.433	10	10	FECE	
CC(C)C(=O)N1CCC(NC(=O)NCc2cc(Cl)ccc2O)CC1	844873221	OYZQWIQBBQINHU-UHFFFAOYSA-N	353.850	2.492	10	10	FECE	
Cc1ccc(O)c(CNC[C@]2(CO)COCCN2Cc2ccccc2)c1	850395174	DDBOISWFSGHFEV-NRFANRHFSA-N	356.466	2.054	10	10	FECE	
C[C@]1(C(F)F)CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CCO1	852005489	VMHBFVIGINYNQL-GOSISDBHSA-N	369.412	2.089	10	10	FECE	
COC(=O)[C@@H]1C[C@H]1[C@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1	850073189	XNGDCPYNSZLLSR-VBNZEHGJSA-N	350.434	2.074	10	10	FECE	
COc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@H]2Cc2cnn(C)c2)c1	853736577	GWHZSHWYYHKIMF-WMLDXEAASA-N	358.442	2.345	10	10	FECE	
COc1ccc(N2CCCN(C(=O)COCc3ccnc(O)c3)CC2)cc1	858665823	PEFKNKFCYLIOGH-UHFFFAOYSA-N	371.437	2.051	10	10	FECE	
C[C@@H](NCC(C)(C)CS(N)(=O)=O)c1cc(Br)ccc1O	866571434	XVBATJAANZVFRE-SECBINFHSA-N	365.293	2.120	10	10	FECE	
COc1c([N+](=O)[O-])cc(N(C)[C@@H](C)CO)c([N+](=O)[O-])c1Br	764169478	ARNYHMBYDILJCW-LURJTMIESA-N	364.152	2.091	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCCCCS(N)(=O)=O	1135800976	YVJGUFLDMSGVAO-UHFFFAOYSA-N	367.515	2.094	10	10	FECE	
Cn1nccc1[C@H]1COCCN1C(=O)c1cc2cc(O)c(O)cc2s1	898294085	HOENNDNSYVXWDA-GFCCVEGCSA-N	359.407	2.260	10	10	FECE	
CCn1cc([C@H]2C[S@@](=O)CCN2Cc2cc(C)cc(OC)c2O)cn1	792714346	BFJWKILTOPZXOZ-CPJLOUKISA-N	363.483	2.231	10	10	FECE	
COC(=O)c1cccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1	1536925339	UQTQLXQZMVOZQC-UHFFFAOYSA-N	367.449	2.155	10	10	FECE	
Cc1nsc(N2CCCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC2)n1	1545095153	LPJYXWXERUINPK-UHFFFAOYSA-N	373.442	2.361	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCN(c2cccc(Cl)c2)C1=O	1629244969	NWVDUSXVMVUNTO-AWEZNQCLSA-N	360.797	2.215	10	10	FECE	
CN(C(=O)Cc1ccc(O)c(O)c1)C1CC(NC(=O)OC(C)(C)C)C1	1624365880	RTZUCGHWGCMXCC-UHFFFAOYSA-N	350.415	2.154	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@H]1CCCN(C(=O)NC2CCCC2)C1	1637125926	HIQRADPSBMBSGA-ZDUSSCGKSA-N	361.442	2.078	10	10	FECE	
C[C@@H](NC(=O)c1cc(F)ccc1NS(C)(=O)=O)c1ccccc1O	1632246418	HUNKPGKFAWCSKJ-SNVBAGLBSA-N	352.387	2.394	10	10	FECE	
CN(CCNC(=O)OC(C)(C)C)CC(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2124541773	WIOFLHXFGUFCJQ-AWEZNQCLSA-N	368.482	2.382	10	10	FECE	
C[C@H]1C[C@H](C(=O)NCCc2ccc(O)c(O)c2)N1C(=O)OC(C)(C)C	1964864717	VLUHZSONWFIYGI-WCQYABFASA-N	350.415	2.154	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(-c2cccnc2)n1CC(C)(C)O	1768682049	RCORCUCWZMAJIN-UHFFFAOYSA-N	353.426	2.453	10	10	FECE	
CCS(=O)(=O)CCCNC(=O)N(C)Cc1ccc(N2CCCC2)cc1	1683334074	CAEGJGHPXMWADM-UHFFFAOYSA-N	367.515	2.253	10	10	FECE	
COC(=O)c1cc(C)sc1NC(=O)CCN1C(=O)CSC1=S	1865768974	ZSPQSHNDWPEMCB-UHFFFAOYSA-N	358.466	2.032	10	10	FECE	
Nc1ccc(OCCCN2CCC[C@H](NC(=O)c3cccnc3)C2)cc1	586061734	WMWGXFSAQZTUCH-SFHVURJKSA-N	354.454	2.327	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1cc(O)c(O)c(O)c1)C1CC1	2132410824	PWTQMBFZSOZLFH-GOSISDBHSA-N	366.414	2.227	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(Cc2ccc(O)c(O)c2)C1	2136388000	OYNGIAPXLVJBON-OLZOCXBDSA-N	366.414	2.040	10	10	FECE	
Nc1ccc(CS(=O)(=O)NCc2ncccc2Br)cc1	1927134561	CJAGJUCGYZQDFE-UHFFFAOYSA-N	356.245	2.046	10	10	FECE	
C[C@@H]1CC[C@H]([C@@H](NC(=O)OC(C)(C)C)C(=O)NCc2ccccc2O)O1	1969154218	JZJXEFFVZAYOFO-DAXOMENPSA-N	364.442	2.469	10	10	FECE	
CN(C)Cc1cc(C[C@H](NC(=O)OCc2ccccc2)C(=O)O)ccc1O	1951683259	JLLNCYMZYJZTRV-KRWDZBQOSA-N	372.421	2.376	10	10	FECE	
Oc1ccc(CN[C@H]2CN(Cc3ccccc3)[C@]3(CCOC3)C2)c(O)c1O	2154521876	XIINZGVHJKVFCY-DYESRHJHSA-N	370.449	2.327	10	10	FECE	
CS(=O)(=O)c1cnn(Cc2cccc(Cl)c2O)c1Br	2070222872	BOJQCNZOLQLDJA-UHFFFAOYSA-N	365.636	2.456	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](NC(=O)c2cccc(O)c2O)C1	2054418694	VTHYLOYOOUCGOA-UJYYRWPFSA-N	354.378	2.223	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)NCC2(CN=[N+]=[N-])CC2)CCCOC1	2060617351	MIHGPLYHKKERAN-MRXNPFEDSA-N	353.423	2.267	10	10	FECE	
COCC1(C(=O)N2CCC(N=[N+]=[N-])CC2)CN(C(=O)OC(C)(C)C)C1	2060619792	QYTZBNVQORNFCK-UHFFFAOYSA-N	353.423	2.171	10	10	FECE	
C[C@](NC(=O)C(F)(F)F)(C(=O)N1CCC[C@@H](N=[N+]=[N-])C1)C(F)(F)F	2060639184	FJYBPLWKBPYHMF-MUWHJKNJSA-N	361.246	2.287	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]1(O)CCCN(C(=O)Nc2ccc(N)cc2)C1	2106699698	PIGFAMQBPVFSSU-SFHVURJKSA-N	364.446	2.152	10	10	FECE	
CN(Cc1ccccc1)[C@@H]1CCN(C[C@@H](O)COc2ccc(N)cc2)C1	2095871091	YLYAKUKFDSTFKO-WOJBJXKFSA-N	355.482	2.215	10	10	FECE	
CCCN(c1ccc(CO)cc1Br)[C@H]1CCS(=O)(=O)C1	2201892759	CGZMXBJTHHKLTB-LBPRGKRZSA-N	362.289	2.345	10	10	FECE	
CO[C@H]1C[C@@H](C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2218738478	PQYZCAAHIOQGKY-CYDGBPFRSA-N	353.423	2.358	10	10	FECE	
C[C@@H](CNCc1ccc(O)cc1O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1	2230084731	YBDKXAGDAKDSIH-DJJJIMSYSA-N	366.458	2.195	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H]1CCOCCN1C(=O)OC(C)(C)C	2269778467	BWESFKBBPZABLG-OAHLLOKOSA-N	364.442	2.377	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2ccc(O)c(O)c2)C2(CC2)C1	2336347902	PYTKJKRJSISVJZ-ZDUSSCGKSA-N	362.426	2.475	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)c1O	175652481	KBPHQKDTDPBSSD-QGZVFWFLSA-N	361.417	2.448	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1F	119664878	WCPGKQMHTOOKBC-GDBMZVCRSA-N	362.449	2.092	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CC[C@@H](N3CCOCC3)C2)c1O	172962656	XLDCUFUPIVTDEG-MRXNPFEDSA-N	370.449	2.239	10	10	FECE	
CCCC(=O)NCC(=O)N(CC)Cc1cc(Br)ccc1O	75416943	DQOKGKZIRMDSGY-UHFFFAOYSA-N	357.248	2.420	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CCC[C@@H](NC(C)=O)C2)c1O	77444323	CEDHAOFZWDAOQV-OAHLLOKOSA-N	356.422	2.433	10	10	FECE	
Cc1cc(C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)c(C)n1-c1ccccn1	132695330	SAAYEOOQUQPLPK-CQSZACIVSA-N	351.414	2.022	10	10	FECE	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21	45278409	SSGWWSVOMKRQKK-OAHLLOKOSA-N	360.435	2.452	10	10	FECE	
CC(=O)C(=O)COC(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1	808527339	FASKCDRRPDRWKA-GFCCVEGCSA-N	355.431	2.361	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)CCC[C@@H]1CCOC1	645572517	VPLYDQCTLSNXGD-CQSZACIVSA-N	354.472	2.098	10	10	FECE	
CN1CCN(C[C@H](O)CNCc2ccc(N(C)C3CCCCC3)cc2)CC1	818980779	NVWUTJCOQFEZDP-JOCHJYFZSA-N	374.573	2.153	10	10	FECE	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N[C@H]1C[C@@H]2C[C@@H]2C1	823688269	KILCBECOCHTSAO-BTTYYORXSA-N	351.397	2.399	10	10	FECE	
COc1ccc(N2CCC(NS(=O)(=O)c3cscn3)CC2)cc1	827091314	RDMOXCIONBVYML-UHFFFAOYSA-N	353.469	2.099	10	10	FECE	
CCc1ccc(N(CC2CC2)C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1	836834950	FRDLXONPWMVGCD-FMIVXFBMSA-N	367.449	2.103	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H](c1ncccn1)C1CC1	914335261	DAYZLJDIVFBFAU-GOSISDBHSA-N	367.453	2.264	10	10	FECE	
CC(C)N1CC[C@H](C(=O)NCc2ccccc2O)[C@H](c2cnn(C)c2)C1	849566293	ZXTUAAHYAALESE-ROUUACIJSA-N	356.470	2.256	10	10	FECE	
CCN1CCN(c2ccc(C(=O)NCc3ccc(O)cc3O)cc2F)CC1	910950102	CJPYHMDHHHZGDI-UHFFFAOYSA-N	373.428	2.309	10	10	FECE	
CC[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCCO1	848932420	ZAYVROZFHLDDMU-OALUTQOASA-N	373.497	2.367	10	10	FECE	
Cc1cc(CCNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)nn1C	926364172	COLQDGWFAPELOX-SFHVURJKSA-N	372.469	2.367	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(N2CC[C@@H](O)C2)CC1	853412308	XZLOPXSJTDZRHE-HXUWFJFHSA-N	372.513	2.027	10	10	FECE	
C[C@@H](NC(=O)NCc1ccnc(-n2cncn2)c1)c1ccc(N(C)C)cc1	868515643	ONEFBGUOBODCHP-CQSZACIVSA-N	365.441	2.289	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc4c(c3)CNCC4)C2)cc1	1118505145	ADPZGUZUPKZBJH-SFHVURJKSA-N	351.450	2.350	10	10	FECE	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cnn(CC3CC3)c2)c1	777962694	WTNZCJMCRCRDBO-LLVKDONJSA-N	351.428	2.047	10	10	FECE	
COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@@H](C)C(C)C)CC2)cc1	778286845	BWYTUWAJJNFKFS-OAGJVSPASA-N	373.497	2.308	10	10	FECE	
C[C@H](NC(=O)[C@H](C)N1CC(NC(=O)OC(C)(C)C)C1)c1ccccc1O	1877573360	KAMJDDUTAXYOCD-STQMWFEESA-N	363.458	2.167	10	10	FECE	
COc1cc(CNC(=O)c2ccc(N=NC(N)=O)cc2)ccc1OCCO	1141898143	DMDLKEGRXOQVSN-UHFFFAOYSA-N	372.381	2.159	10	10	FECE	
O=C(NCc1c(O)ccc2ccccc12)c1cnc2nc(O)nc(O)c2c1	1304089778	LMUPHZZMYLBWDB-UHFFFAOYSA-N	362.345	2.225	10	10	FECE	
CC(C)N1CCC[C@@H](C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1	1153443506	LDFMMJSGZNPBET-LJQANCHMSA-N	358.530	2.175	10	10	FECE	
O=C(NCCc1cnc2c(Cl)cnn2c1)N1Cc2cccc(O)c2C1	1228931111	ORMSTIBFFRQKAP-UHFFFAOYSA-N	357.801	2.356	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(F)c2O)[C@@H](C(=O)O)C1	1962838926	VJKMAGBDWOFSAT-CYBMUJFWSA-N	372.368	2.176	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H](Nc2ncccn2)C1	1261451793	INIDFAXSNWNYTF-QGZVFWFLSA-N	364.453	2.249	10	10	FECE	
CCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1Cc1ccc(N(C)C)cc1C	1293172864	WDHLGIGHFZHGBL-KDOFPFPSSA-N	357.502	2.470	10	10	FECE	
COc1cccc(O)c1CNC[C@@H]1C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1	2116201581	COOVHWNOJYIXCZ-NOLJZWGESA-N	366.458	2.155	10	10	FECE	
CC(C)(C)OC(=O)N1CC([C@@H]2CCN(C(=O)c3cccc(O)c3O)C2)C1	2118167395	JANREODIWHVPAV-GFCCVEGCSA-N	362.426	2.427	10	10	FECE	
CCc1nnc(N2C[C@@H]3OCO[C@@H]3C2)n1Cc1ccc(N(CC)CC)cc1	1546561224	PCFPVJPWPUEFJK-HDICACEKSA-N	371.485	2.297	10	10	FECE	
CC(C)c1nnc2n1[C@@](C)(C(=O)NCc1ccc(N(C)C)cc1)COC2	1548356084	NWCQCGKWLAFHGM-LJQANCHMSA-N	357.458	2.029	10	10	FECE	
O=C(NCc1c(O)ccc2c1CCCC2)c1cccc(Nc2nn[nH]n2)c1	1630277925	OIUAZEYMVLDRAW-UHFFFAOYSA-N	364.409	2.458	10	10	FECE	
C=C/C=C/CCNC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1	1636994776	ASBPLFLVESPOSH-ZXVFTEONSA-N	369.465	2.149	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[C@H]1C(=O)NCCc1ccc(O)c(O)c1	2124263572	ZDYOWVGBQHFPIA-FPMFFAJLSA-N	364.442	2.306	10	10	FECE	
CN(CC(=O)NCc1ccc(N(C)C)cc1)CC(F)(F)C(F)(F)F	1645163314	OITAXTXWMXUXPC-UHFFFAOYSA-N	353.335	2.498	10	10	FECE	
Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2124511635	GHYJVTLSGGKJAS-GFCCVEGCSA-N	363.422	2.360	10	10	FECE	
CC[C@@H]1[C@@H](C(=O)NCC2(NCc3ccc(OC)c(C)c3)CC2)CCN1C	1699651815	RXZVGWDTHAOXJV-ZWKOTPCHSA-N	359.514	2.472	10	10	FECE	
Cc1ccc(C(=O)NC2CCN(C(=O)c3cc(O)c(O)c(O)c3)CC2)cc1	169853884	XFNBHWCXTMKDHG-UHFFFAOYSA-N	370.405	2.146	10	10	FECE	
COC(=O)C1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)CC1	1866177499	DGRXSLDBSDUZHP-SFHVURJKSA-N	373.497	2.349	10	10	FECE	
CC(C)(C)OC(=O)NC1CC(CCNC(=O)c2cc(O)c(O)c(O)c2)C1	2132401046	RCLWSECSHWKWGE-UHFFFAOYSA-N	366.414	2.227	10	10	FECE	
CCN[C@@H](c1ccccc1O)[C@]1(O)COCCN(C(=O)OC(C)(C)C)C1	1922473870	AWRIAMUPJFYKQW-QFBILLFUSA-N	366.458	2.041	10	10	FECE	
CC(C)(C)OC(=O)N1CCSC[C@H](C(=O)N2CC[C@@H](N=[N+]=[N-])C2)C1	2010401018	ADCYSNHDAVFPSC-VXGBXAGGSA-N	355.464	2.498	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CO)(CNCc2c(O)cccc2Cl)C1	2023456402	WBQCPSDTXAZAAQ-UHFFFAOYSA-N	356.850	2.365	10	10	FECE	
COC(=O)[C@H](CCN[C@H](C)c1ccccc1O)NC(=O)OC(C)(C)C	2028194959	HBQIHHKTXYAHHY-OCCSQVGLSA-N	352.431	2.499	10	10	FECE	
CN[C@H](c1ccccc1O)[C@]1(O)CN(Cc2ccccc2)[C@]2(CCOC2)C1	2156320582	PTICTDWJAOQWBW-YPAWHYETSA-N	368.477	2.449	10	10	FECE	
Nc1ccc(OCCC(=O)NC[C@H]2COCCN2Cc2ccccc2)cc1	2194653405	JHQDKQRMKMEOLN-IBGZPJMESA-N	369.465	2.055	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C	2180712109	AUZJZYABJVKNNI-HNNXBMFYSA-N	374.441	2.210	10	10	FECE	
CC(C)(C)OC(=O)N1CC(F)(CNC(=O)CCc2ccc(N)cc2)C1	2044229224	SNKDPAQSHXZECI-UHFFFAOYSA-N	351.422	2.277	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCC[C@H]2CN=[N+]=[N-])CCCOC1	2060617411	NDKMHQKYUYYMJI-LRDDRELGSA-N	353.423	2.362	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](O)(CCNCc2cccc(F)c2O)C1	2208900692	WCKMMUCPOQOYQC-GOSISDBHSA-N	354.422	2.383	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])C1	2218745918	OSWFTUBTKACRMK-JHJVBQTASA-N	353.423	2.360	10	10	FECE	
COc1cccc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1O	2294133762	IFPPWNCPMHVYIT-UHFFFAOYSA-N	352.346	2.376	10	10	FECE	
CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C/c1ccc2c(c1)OCO2	100208357	OCIYAONYOFHAAA-NTEUORMPSA-N	359.378	2.124	10	10	FECE	
COc1ccc(N2CCOCC2)cc1NC(=O)c1n[nH]c2c1CCCC2	62274207	FEMZMQWEMPBDMR-UHFFFAOYSA-N	356.426	2.386	10	10	FECE	
COc1cccc(CNC(=O)/C=C\c2ccc(N3CCOCC3)cc2)n1	255599282	LSGJYUYPSASPJH-YFHOEESVSA-N	353.422	2.256	10	10	FECE	
CN(C)CCCOc1cnccc1CNCc1cc([N+](=O)[O-])ccc1O	288465993	FFUKSWIQTMWHTH-UHFFFAOYSA-N	360.414	2.316	10	10	FECE	
CC(=O)C(=O)COC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F	808515323	FWWXQXRVELVVGN-UHFFFAOYSA-N	357.700	2.173	10	10	FECE	
COc1ccc(N2CCN(CN3C(=O)[C@H](C4CC4)[C@@H]3C3CC3)CC2)cc1	839947341	DOEXHHNBIBDCAN-UXHICEINSA-N	355.482	2.422	10	10	FECE	
Cc1cc(O)c(CN2CCN(CC(=O)N3CCCCC3)CC2)c(Cl)c1	840910261	PKLJMQVWMRSPQZ-UHFFFAOYSA-N	365.905	2.484	10	10	FECE	
COc1ccc(N2CCN(CCCN[C@@H]3C[C@H](N)C34CCC4)CC2)cc1	925521813	WRRRSNZUNQYQKG-VQTJNVASSA-N	358.530	2.067	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CCN(Cc3nccn3C)CC2)c1O	750041648	FLHAPGZPMUNNRW-UHFFFAOYSA-N	362.861	2.300	10	10	FECE	
NCC[C@H]1Cc2ccccc2N(S(=O)(=O)c2cccc3nsnc23)C1	923745260	MIKHYHYMPSUFHK-LBPRGKRZSA-N	374.491	2.408	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)OC(C)(C)C)C2)cc1	852141658	JXJINHFAJFPFEL-AWEZNQCLSA-N	363.458	2.305	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3(C(F)F)CCC3)cc2)C1	864953387	CWFVBYLOJUFOAQ-CQSZACIVSA-N	365.424	2.440	10	10	FECE	
COCC[C@H](CNCc1ccc(OC)cc1O)NC(=O)OC(C)(C)C	1462149179	QHDMFAFMJHDDMW-CQSZACIVSA-N	354.447	2.420	10	10	FECE	
CCN1CCN(c2ccc(CNc3nc(C)nc(N(C)C)n3)cc2F)CC1	768524380	OCMOSDQJHFUCMK-UHFFFAOYSA-N	373.480	2.139	10	10	FECE	
COc1ccc(N2CCN(CCCN[C@@H]3CN(C4CC4)C[C@@H]3C)CC2)cc1	764682811	HVVLGXVTEDUICC-PGRDOPGGSA-N	372.557	2.280	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C[C@@H]3C[C@H]3C3CC3)cc2)C1	878350338	KLZQTZADUWQOBF-LNLFQRSKSA-N	355.482	2.441	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)N[C@@H]3[C@H]4CCC[C@H]43)CC2)cc1	786872020	LPBKVJFQXUXVBI-PMOLBWCYSA-N	372.513	2.305	10	10	FECE	
Cn1c(=O)ccc2ccc(NC(=O)NCCc3ccc(O)c(O)c3)cc21	786014186	KGGYLQUTOKTASU-UHFFFAOYSA-N	353.378	2.314	10	10	FECE	
CC(C)(CNC(=O)c1cc2cc(O)c(O)cc2s1)[C@]1(O)CCOC1	898088434	OLUKHPDUEQXAKY-KRWDZBQOSA-N	351.424	2.220	10	10	FECE	
Fc1cc(CN2CCC3(CC2)COCCO3)ccc1N1CCOCC1	895695966	KLPPYMNLRXKZIU-UHFFFAOYSA-N	350.434	2.044	10	10	FECE	
COc1ccc(S(=O)(=O)NCc2cc(Br)ccc2O)cn1	796190706	KPOVPUJOTNFNLU-UHFFFAOYSA-N	373.228	2.037	10	10	FECE	
CN(CCN(C)[C@H](CN)c1ccc2c(c1)CCN2C)C(=O)OC(C)(C)C	1881770010	DIASYXUHAJAQES-GOSISDBHSA-N	362.518	2.477	10	10	FECE	
COC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)CCCCCC1	1304767098	HYKHWBIAKXVOEP-UHFFFAOYSA-N	370.471	2.233	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1	1302339027	YSHBLIGKLDRUFK-HZPDHXFCSA-N	354.366	2.113	10	10	FECE	
CC(C)C[C@H](O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1256237201	UCYCTGXIYXJNCY-ROUUACIJSA-N	350.507	2.062	10	10	FECE	
COc1ccc(CNCc2nc(CC(=O)O)cs2)cc1Cn1cccn1	1330688308	WCLKYRYTVVDCMQ-UHFFFAOYSA-N	372.450	2.313	10	10	FECE	
CC(=O)N[C@@H]1CCCN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)C1	1508322213	ZKRXYZQWPCRSMZ-GOSISDBHSA-N	370.501	2.114	10	10	FECE	
NC(=O)c1ccc(CC(=O)N(Cc2ccco2)Cc2ccccc2O)cn1	1465841370	URJXWWRKNYIERN-UHFFFAOYSA-N	365.389	2.251	10	10	FECE	
Cc1nc(CCn2c(CC3CC3)nnc2N(C)Cc2ccccc2O)n[nH]1	1542943877	BJGBKBUVVIRTMB-UHFFFAOYSA-N	367.457	2.242	10	10	FECE	
Cc1ccc(O)c(CNC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)c1	1557553957	RJQVHBYIEMEYHM-UHFFFAOYSA-N	367.365	2.428	10	10	FECE	
CCOc1ccc(CN2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)cc1	1624680930	QKWWVQUZNUDYDW-UHFFFAOYSA-N	370.449	2.383	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)NC[C@H]2CCCC[C@@H]2O)N(C)C)cc1	1565453382	YINNOMDPSHBXGM-QRQLOZEOSA-N	362.518	2.206	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@H]1c1nc(C(=O)N2CC(N=[N+]=[N-])C2)no1	2124518482	YMOKCUOTANSLNF-SNVBAGLBSA-N	363.378	2.276	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COCC[C@H]1C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2124532031	IEUMDMALZKDYJY-MGPQQGTHSA-N	367.450	2.465	10	10	FECE	
CN(C)c1ccc(Cn2c(CC3CC3)nnc2N2CCOCC2)cc1F	1768496994	VWUXXDUQUAMQOJ-UHFFFAOYSA-N	359.449	2.321	10	10	FECE	
CN(C)C(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1O	1766864266	BFPZAITUUCWPIO-UHFFFAOYSA-N	368.441	2.094	10	10	FECE	
CC(C)COC[C@H](O)CN[C@@H](C)c1ccc(N2CCC(O)CC2)cc1	151408891	UBLGMUAEESJVNS-OXJNMPFZSA-N	350.503	2.332	10	10	FECE	
CNCc1ccc(N2CCS(=O)(=O)[C@@H](C)[C@H]2C)c(Br)c1	2170284649	VPLUEWDUZAXFDK-MNOVXSKESA-N	361.305	2.180	10	10	FECE	
CC(C)(C)OC(=O)N1CCN([S@](C)(=O)=NCc2ccc(N)cc2)CC1	2044671726	INQYVZOWMQEWKC-RUZDIDTESA-N	368.503	2.334	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060610012	CJNUYXQGQQIJLF-JHJVBQTASA-N	353.423	2.170	10	10	FECE	
C[C@@H](C(=O)NCCCCN=[N+]=[N-])N1CCN(C(=O)OC(C)(C)C)CC1	2060618042	UXAGGMAZOGRTNV-ZDUSSCGKSA-N	354.455	2.134	10	10	FECE	
CC(C)(C)OC(=O)N1CCC12CN(CCC(=O)Nc1ccc(N)cc1)C2	2106762429	CFFQLILEBBWFTB-UHFFFAOYSA-N	360.458	2.293	10	10	FECE	
CC(C)S(=O)(=O)C[C@@H](C)NCc1cccc(Br)c1O	2114188442	FYKBRLLUFQNXQN-SNVBAGLBSA-N	350.278	2.456	10	10	FECE	
CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])C1	2218746750	RKDASPJGLZVTKS-QHSOUUPTSA-N	353.423	2.406	10	10	FECE	
Cc1nn(C)c(C)c1NC=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	2313548532	XLZSGXZUCNYORC-UHFFFAOYSA-N	373.800	2.269	10	10	FECE	
Cc1nc(C[C@H]2CCCN(CC(=O)NCc3ccc(N(C)C)cc3)C2)no1	171406649	NSQLFJXTUKRUSE-QGZVFWFLSA-N	371.485	2.015	10	10	FECE	
CN(C[C@@H]1CCCO1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	77002695	VERDXZLURFBEDQ-INIZCTEOSA-N	365.449	2.107	10	10	FECE	
C[C@H]1CCCN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c2ccccc21	183158736	YMHRWLMUNBQZSH-VNDWYCCKSA-N	353.422	2.028	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NC[C@]2(CCO)CCOC2)cc1F	130065954	XDHDLXIEPFEYBW-IBGZPJMESA-N	367.465	2.260	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCc2[nH]ncc21	133175790	ORJPVARYAJDDGM-CQSZACIVSA-N	358.417	2.122	10	10	FECE	
CCOc1ccc(N2CN=c3sc(=Cc4cccs4)c(=O)n3C2)cc1	254590113	KIVQYWRZDBHLBX-UHFFFAOYSA-N	371.487	2.254	10	10	FECE	
O=C1Cc2c(C(=O)N3CCN(C4CC4)c4ccc(F)cc43)ccnc2N1	613627990	AKQWMMNESNEHLI-UHFFFAOYSA-N	352.369	2.345	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)c3cc[nH]c3C3CC3)cc2)CC1	286698144	GDMAQONDTBSYIT-UHFFFAOYSA-N	366.465	2.491	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCOC[C@H]1CC(F)F	286517733	QOMMSBWZUAFJRP-MRXNPFEDSA-N	355.429	2.067	10	10	FECE	
CSC1(C(=O)N(C)Cc2ccc(C)c(Br)c2O)CNC1	2380765904	PZIQYSSEYFEOGK-UHFFFAOYSA-N	359.289	2.127	10	10	FECE	
C[C@@H](NC(=O)C(=O)N1CCC[C@]2(CCCOC2)C1)c1ccc(N(C)C)cc1	807677757	SLHUYQKVMDGCQM-IERDGZPVSA-N	373.497	2.349	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CC(O)(c3ccccc3)C2)c([N+](=O)[O-])c1	804837524	MAMJQJJFXWKNBS-NTMALXAHSA-N	354.362	2.489	10	10	FECE	
CN1CCN(C[C@@H](O)CNCc2ccc(N(C)C3CCCCC3)cc2)CC1	818980780	NVWUTJCOQFEZDP-QFIPXVFZSA-N	374.573	2.153	10	10	FECE	
CCN(C)c1ccc(CN2CCCN(S(=O)(=O)C3CC3)CC2)cc1	815111361	ATOXHNVNIJVXFY-UHFFFAOYSA-N	351.516	2.143	10	10	FECE	
Nc1ccc(Cc2nc(C(=O)NCCCN3CCCC3=O)cs2)cc1	817904293	BZDWXIVIMJGXNA-UHFFFAOYSA-N	358.467	2.058	10	10	FECE	
CN(C)CCOc1ccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)cc1	588408225	RNVLEQMYCHNIMJ-POHAHGRESA-N	356.422	2.368	10	10	FECE	
CCO[C@@H]1C[C@@H](NCC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H]1SC	830423861	XBVIJGVSWMCOJV-LMMKCTJWSA-N	365.543	2.210	10	10	FECE	
CN(C[C@H]1CCCO1)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	838740328	VCHUPXQTRPRCDN-CQSZACIVSA-N	369.412	2.122	10	10	FECE	
CCN1CCC[C@@H]1CNC(=N)NCc1cc(Br)ccc1O	849051725	GXTRETLXAKYPNN-CYBMUJFWSA-N	355.280	2.253	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)NCc1noc2c1COCC2	919919215	XBYXJPVJSMFEMW-UHFFFAOYSA-N	354.410	2.123	10	10	FECE	
Cc1cc(C(=O)CN2CC[C@](C)(O)C2)c(C)n1-c1ccc2c(c1)OCO2	748833309	SGHQVXLCGNOURR-FQEVSTJZSA-N	356.422	2.462	10	10	FECE	
COc1ccc(N2CC[C@H](NCc3cccc(S(C)(=O)=O)c3)C2)cc1	850346901	LGAQJTXNROFETJ-INIZCTEOSA-N	360.479	2.467	10	10	FECE	
C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H](CC(F)(F)F)O1	852741782	KBGJLXFDKINTHO-XJKSGUPXSA-N	373.419	2.411	10	10	FECE	
CC[C@@]1(C(=O)O)CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1	923470638	NNCXZVQJFYLXLZ-HXUWFJFHSA-N	361.486	2.288	10	10	FECE	
C[C@H](CCNC(=O)NCc1cccc(Br)c1O)[S@](C)=O	764801910	VWLHBDGEKDTALX-YBYGRFCBSA-N	363.277	2.111	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)c1	862133962	FUXSPJFWOAHUKV-RPPIVITFSA-N	356.447	2.252	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H]4[C@H](CCN4C)C3)C2)cc1	868762574	QFNDLSYGWVXXIB-GJYPPUQNSA-N	358.486	2.010	10	10	FECE	
COC(=O)c1c(CNCCCN2CCOC2=O)c2cc(F)ccc2n1C	894223910	CFFOQCHBODZEMO-UHFFFAOYSA-N	363.389	2.036	10	10	FECE	
COC(=O)c1c(CN[C@@H](CO)C[C@H]2CCCO2)c2cc(F)ccc2n1C	895748164	KBGOWSCWYZDTFM-ZIAGYGMSSA-N	364.417	2.124	10	10	FECE	
COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)c(OC)c2)cc(F)c1F	797819376	HNIHAYGVKOEIJH-UHFFFAOYSA-N	373.333	2.266	10	10	FECE	
CO[C@H]1C[C@@H](N(C)Cc2cc(C(C)=O)cc(CN3CCOCC3)c2O)C1	795671839	NYINJCOIMAPDGM-KDURUIRLSA-N	362.470	2.036	10	10	FECE	
Cc1ccc(C2CCN(C(=O)C(=O)N(C)Cc3ccccc3O)CC2)cn1	1324873343	UUJFGMJOJSJLTJ-UHFFFAOYSA-N	367.449	2.460	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H](O)CC(C)(C)C)N(C)C)cc1	1256232126	KWLADKXIGKUCQQ-ZWKOTPCHSA-N	364.534	2.452	10	10	FECE	
COc1cc(C(=O)NCc2cc(O)ccc2O)cnc1Br	1455355543	CHCKIBLLWRBERG-UHFFFAOYSA-N	353.172	2.194	10	10	FECE	
O=C(NC[C@H](O)COc1ccccc1)c1cc2cc(O)c(O)cc2s1	1630136102	LFBAMCVJGGNVBK-LBPRGKRZSA-N	359.403	2.482	10	10	FECE	
COc1ccc(CNC[C@@H](C)N(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1C	1496117021	STWUVDPFUZNJLN-JBFYLRDPSA-N	358.482	2.364	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)C(=O)Nc1cccc(C(F)(F)F)c1	1631438618	HPKKGVCNJMHLCW-UHFFFAOYSA-N	354.284	2.372	10	10	FECE	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(O)c(O)c1	1635960105	XFLOIUKXKPDDRK-HNNXBMFYSA-N	358.394	2.071	10	10	FECE	
CC[C@@H]1C[C@H]1C(=O)N1CCC[C@](CO)(NCc2ccc(OC)c(C)c2)C1	1570291314	PEYMZHSGXZHTRA-OPYAIIAOSA-N	360.498	2.493	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(-c2cnn(C)c2)n1CCCCCO	1747749841	DYMCLJYDJGBRKH-UHFFFAOYSA-N	370.457	2.183	10	10	FECE	
Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)c2c(F)ccc(O)c2O)cc1	1650952457	DTAQUHBJFHFBTP-LLVKDONJSA-N	367.398	2.138	10	10	FECE	
COC[C@H]1COCCN1C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1	1652419005	UIQNHLWHBZTHPP-FQEVSTJZSA-N	370.449	2.323	10	10	FECE	
CC(=O)CCC(C)(C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	1596994154	NIFCBAAPOGXCPE-KRWDZBQOSA-N	373.497	2.400	10	10	FECE	
COc1ccc(O)c([C@H](C)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)c1	2126903049	RLYAQXNMMRQSOG-YLQAJVPDSA-N	366.458	2.422	10	10	FECE	
CN[C@H]1C(=O)Nc2cc(N3CCC(C)(O)CC3)c(Br)cc21	160494926	PMFRISGRQZLGFQ-CYBMUJFWSA-N	354.248	2.013	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@](C)(CNCc2ccc(O)c(O)c2)C1	2135091608	ITQVEGYYKCTWHH-IBGZPJMESA-N	366.458	2.461	10	10	FECE	
COc1ccc([C@H](C)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(O)c1	1918994654	VBEXMOVCSMJUMY-DJJJIMSYSA-N	366.458	2.423	10	10	FECE	
CC(C)(C)OC(=O)N[C@@](C)(C(=O)C(=O)C[C@H]1C[C@H](N)C1)C(F)(F)F	2003167552	CHRDDMJHTNXZDY-FZNYLWTLSA-N	352.353	2.098	10	10	FECE	
COCCOCCN(Cc1ccccc1)C[C@@H](O)COc1ccc(N)cc1	2152223179	KPPJSEJZRCMDCT-HXUWFJFHSA-N	374.481	2.174	10	10	FECE	
C[C@@H](N)c1ccc(N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c(Br)c1	400891483	LONJNVPWXQWIOP-GMTAPVOTSA-N	361.305	2.481	10	10	FECE	
CC[C@H](N[C@@H]1[C@H]2CS(=O)(=O)C[C@H]21)c1cc(Br)ccc1O	2174639653	QCHVAYPXWNOGKT-KZVDOYCCSA-N	360.273	2.238	10	10	FECE	
C[C@@H]1[C@H](NS(=O)(=O)Cc2ccc(N)cc2)CCN1C(=O)OC(C)(C)C	2044252697	HIAISFAOCILZGG-IUODEOHRSA-N	369.487	2.086	10	10	FECE	
COc1ccc(N(C)[C@]2(CNC(=O)OC(C)(C)C)CCOC2)c(N)c1	2044723184	XOTCFVWJVOXOBG-SFHVURJKSA-N	351.447	2.397	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)N1CCC(CN=[N+]=[N-])CC1	2060635807	PNQNXZIERRMZDQ-ZDUSSCGKSA-N	355.439	2.201	10	10	FECE	
CC(C)(C)OC(=O)N1CC(N(C(=O)COc2ccc(N)cc2)C2CC2)C1	2106695880	YXRDJWJPXMYXSH-UHFFFAOYSA-N	361.442	2.258	10	10	FECE	
C[C@H]1CN(C(=O)CCc2ccc(N)cc2)CC[C@H]1NC(=O)C(F)(F)F	2106705859	GKFUGWKURFWHBN-SMDDNHRTSA-N	357.376	2.117	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)C[C@H]1C[C@H](N)C1	2112570864	GVYMBXZPTFVKJZ-BZUAXINKSA-N	360.454	2.388	10	10	FECE	
COc1ccc(C=C2SC(=S)N(CCC(=O)O)C2=O)c(OC)c1	2293024454	NEAMPKKAOZFQIX-UHFFFAOYSA-N	353.421	2.380	10	10	FECE	
COCCN1C(=O)C(=Cc2ccc(OC)c3ccccc23)C(=O)NC1=S	2297560395	RJFUXLCUXSPURM-UHFFFAOYSA-N	370.430	2.122	10	10	FECE	
CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)C1[C@H]2COC[C@H]12	2341345599	XZGCIGMSOQLCNL-YESZJQIVSA-N	361.486	2.367	10	10	FECE	
CNC(=O)c1cccnc1NCc1ccc(N2CCC(CO)CC2)cc1	301367881	RAIRXCBMXMIUQW-UHFFFAOYSA-N	354.454	2.262	10	10	FECE	
CCc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(N3CCC(O)CC3)cc1)CC2	180610051	FNWBWJISKOLXRK-RDJZCZTQSA-N	369.513	2.467	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(OCCCO)CC1	122346725	DEBDIJFVPVUOIY-UHFFFAOYSA-N	359.470	2.136	10	10	FECE	
CN(C)CCCN(C)C(=O)NCc1ccc(N2CCSCC2)cc1	185503598	JBBHFXHLYFIUHB-UHFFFAOYSA-N	350.532	2.333	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnoc3-c3cnn(C)c3)CC2)cc1	194308686	XXMRDBXSOJJYIF-UHFFFAOYSA-N	367.409	2.046	10	10	FECE	
O=[N+]([O-])c1cc(Cl)cc(CN2CCN(Cc3ccon3)CC2)c1O	93560921	HUALTMSVYJGQOX-UHFFFAOYSA-N	352.778	2.260	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)OCCN1CCSCC1	255048402	OFWUKKWOHGOSTJ-UTCJRWHESA-N	362.495	2.128	10	10	FECE	
O=C(O)[C@]1(N2CCc3cc(O)c(O)cc3C2)CCN(Cc2ccccc2)C1	2373958386	GAVHCVZOQFFBHD-NRFANRHFSA-N	368.433	2.185	10	10	FECE	
C[C@@H]1CN2CCC[C@@H]2CN1C(=O)/C=C\c1ccc(N2CCOCC2)cc1	255192538	VADBEIADBONWNZ-UPVPCIMBSA-N	355.482	2.232	10	10	FECE	
COc1cc(O)c(CN2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1OC	271894291	XTWDXKNLMVVJMW-GOEBONIOSA-N	363.410	2.327	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1	808502125	YGVXEKUBIZQZSU-CYBMUJFWSA-N	372.204	2.299	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)CCCC1CCOCC1	645571701	HKJKPAZWMGDRNB-UHFFFAOYSA-N	368.499	2.488	10	10	FECE	
O=C(O)[C@@H]1[C@H](CNCc2cc(Br)cc(F)c2O)C1(F)F	715231976	WUUQUYFPOCBRJA-CBAPKCEASA-N	354.122	2.349	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC[C@@H](O)C(F)(F)F)cc2F)C[C@@H](C)O1	818967643	XPPOXUVPWKPYOU-UEKVPHQBSA-N	350.356	2.452	10	10	FECE	
C[C@@H](NC(=O)c1ccc(CN2CCOCC2)cn1)c1ccc(N(C)C)cc1	811186650	SPAPXMANBDGPIQ-MRXNPFEDSA-N	368.481	2.471	10	10	FECE	
COc1cc(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccn1	828149810	OFTQUTUYQJWUQE-UHFFFAOYSA-N	369.465	2.158	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)O	909042531	GJAZRFFBKGZTMW-WMLDXEAASA-N	363.458	2.130	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H](C)[C@@H]3CCCO3)cc2)CC1	832794318	LXOTZONMRVQUFA-UZLBHIALSA-N	373.497	2.177	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCN(CC(F)F)CC2)c([N+](=O)[O-])c1	747088270	XCGPHQBYTMEJSW-HYXAFXHYSA-N	355.341	2.168	10	10	FECE	
C[C@@H](NC[C@H](O)c1ccnn1C)c1cc(Br)cc(F)c1O	927137526	XFPYNXVNVPBBRG-OQPBUACISA-N	358.211	2.412	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)N1Cc2cccc(O)c2C1	926117339	YBZPAMDBDQZKAX-IVMMDQJWSA-N	359.426	2.425	10	10	FECE	
C[C@@H](NCC[C@@H]1CNCCS1(=O)=O)c1ccc(N2CCCCC2)cc1	925797253	MURRHPAETAPDJY-VQIMIIECSA-N	365.543	2.104	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2ccnn2C2CCOCC2)cc1	855020727	WBPLWYRXUDNSBX-UHFFFAOYSA-N	372.469	2.452	10	10	FECE	
CC(=O)N1CCc2cc(NS(=O)(=O)c3cc(F)cc(F)c3O)ccc21	753016034	GAFFVQGWLGMUEY-UHFFFAOYSA-N	368.361	2.380	10	10	FECE	
CS(=O)(=O)[C@@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@H]1C(F)(F)F	853530354	IBEHGQFQMQKKQL-UKRRQHHQSA-N	363.401	2.288	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCN(CCO)C[C@@H]2C)c1	861939826	YQFLRMCVTLASNM-INIZCTEOSA-N	369.465	2.045	10	10	FECE	
CN(C)c1ncc(NC(=O)NCc2cccc(Br)c2O)cn1	765317398	BDWVMSPDLSTTEZ-UHFFFAOYSA-N	366.219	2.332	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NOC[C@@H]2CCOC2)C1	768238993	JBIQIILWTBDXJM-MRXNPFEDSA-N	371.481	2.492	10	10	FECE	
COC(=O)c1cc(C)c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)o1	895495582	UFHWGDHTAFVHNE-UHFFFAOYSA-N	372.421	2.483	10	10	FECE	
O=C(NCc1cc(O)ccc1O)C1=NN(c2ccc(F)cc2)C(=O)CC1	1176754823	HUNOBRIREZLKRD-UHFFFAOYSA-N	357.341	2.036	10	10	FECE	
C[C@@H](NC(=O)C(=O)NCC[C@]1(C)CC1(F)F)c1ccc(N(C)C)cc1	1330518958	CTAOCNPMDSGYSB-SJKOYZFVSA-N	353.413	2.481	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C(C)(C)C)n1Cc1nncn1C	1298359391	NLKIUMLBJMYGLY-UHFFFAOYSA-N	355.446	2.094	10	10	FECE	
COC(=O)c1nc(=NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)cc[nH]1	1520446365	SDLMGWIOBZXMNW-UHFFFAOYSA-N	364.405	2.274	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)N[C@@H](CO)CC(C)(C)C)N(C)C)cc1	1471542937	FSFACBYXXBYNQN-SJLPKXTDSA-N	364.534	2.452	10	10	FECE	
CC(C)(C)S(=O)(=O)CCNC(=O)c1cc2cc(O)c(O)cc2s1	1543677922	DNFBSYMWANFVQA-UHFFFAOYSA-N	357.453	2.256	10	10	FECE	
CN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCCN(c2ccccc2)C1=O	1627806958	TZLWMEAZKVVNOE-MRXNPFEDSA-N	354.406	2.294	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(CCCc2ccc(N)cc2)[C@@H](C(=O)O)C1	2123061377	YXJOCJCQBDKABU-MRXNPFEDSA-N	363.458	2.207	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@H]2CCOC2)n1CCc1cn[nH]c1	1729420250	KTJSSFULJCROTI-INIZCTEOSA-N	368.441	2.090	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2COCC[C@]2(C(=O)N2CC[C@H](N=[N+]=[N-])C2)C1	2124518428	XTVRFHACTQAJEV-IGCXYCKISA-N	365.434	2.171	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2COC[C@@]2(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1	2124541097	OOFIAIZUPIJSNR-AHIWAGSCSA-N	365.434	2.029	10	10	FECE	
COc1cc(N2CCC3(CCNC(=O)O3)CC2)c([N+](=O)[O-])cc1OC	1652288724	UPTLATAGTWYJEF-UHFFFAOYSA-N	351.359	2.081	10	10	FECE	
CCOC(=O)c1c(NC(=O)C(N)=O)sc(C)c1-c1ccc(F)cc1	1860747006	OSCULYSZYOGQLF-UHFFFAOYSA-N	350.371	2.463	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(CNC(=O)c2cccc(O)c2O)C1	2136066493	PXWXBQNNJHAFKK-BLVKFPJESA-N	362.426	2.475	10	10	FECE	
Oc1cc2c(cc1CNC[C@H]1CN(Cc3ccccc3)CCO1)OCO2	238130954	ONOJCCBAJSUQIW-KRWDZBQOSA-N	356.422	2.112	10	10	FECE	
C[C@H](N)c1ccc(N2CCS(=O)(=O)[C@@H](C)[C@H]2C)cc1Br	2170273543	IHKOAJUCHQPGPL-AXFHLTTASA-N	361.305	2.481	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](CF)(NC(=O)c2ccc(O)c(O)c2)C1	2054419498	DYUPYYSXPNSWGA-KRWDZBQOSA-N	354.378	2.177	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060617185	KOLQMQUFFNFCJP-FRRDWIJNSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2060634134	VYIGGKMBOJGDGP-FRRDWIJNSA-N	353.423	2.075	10	10	FECE	
CN1CCc2cc([C@H](O)[C@@H]3[C@@H]4OCCN(C(=O)OC(C)(C)C)[C@H]43)ccc21	2106789300	XMPSVVJWRUXQET-OWSLCNJRSA-N	360.454	2.347	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)N2CC[C@@H](N=[N+]=[N-])C2)CO1	2253765376	HBIFQTFMSNDFHW-XQQFMLRXSA-N	353.423	2.218	10	10	FECE	
CNC(=O)c1cncc(C=CC(=O)N2CCN(C)c3ccc(F)cc32)c1	2297702455	VHEFFDSVKGCGTO-UHFFFAOYSA-N	354.385	2.077	10	10	FECE	
Cc1ccc(-n2c(C)cc(C=CC(=O)N[C@@H]3CCC(=O)NC3=O)c2C)cc1	2302473362	OYYZMUKSKAMIPU-GOSISDBHSA-N	365.433	2.337	10	10	FECE	
CN(C(=O)C=Cc1ccc(O)c(O)c1)[C@H]1CCCN(c2cccnn2)C1	2308001474	MHMOQDURUIYSCL-HNNXBMFYSA-N	354.410	2.028	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)N1CCc2cc(O)c(O)cc2C1	2341194154	ODHHKSFJHQDBNR-JSGCOSHPSA-N	362.426	2.143	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)NCc1cscn1	51308782	SIWUJOCDGKXDPX-UHFFFAOYSA-N	350.419	2.118	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N2C[C@@H](C)C(=O)Nc3ccccc32)c1	173091241	ICDBXLDHZHCSCS-SBDDDAINSA-N	364.405	2.076	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(C(=O)N2CCc3cc(O)c(O)cc3C2)C1	2366905829	IABLOMVXPDRPII-VBKZILBWSA-N	374.437	2.240	10	10	FECE	
Cn1cc([C@H]2OCC[C@@H]2NC(=O)NCCCSc2nccs2)cn1	190317776	WGIQMDZKECHHLB-QWHCGFSZSA-N	367.500	2.188	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)NC[C@H](O)[C@@H]2CCCO2)CCCC1	628597527	QSJFQUAZNYYGPE-PMACEKPBSA-N	372.465	2.185	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnc(OCC2CC2)cn1	285422498	NHKCEVVAXXINPN-UHFFFAOYSA-N	354.410	2.371	10	10	FECE	
CC(=O)C(=O)COC(=O)c1cc(Br)nn1-c1ccc(C)cc1	808526174	MGVLRZOPXHZLFH-UHFFFAOYSA-N	365.183	2.258	10	10	FECE	
O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(C(=O)NCc5cc(Br)ccc5O)[C@H]1[C@H]3[C@@H]42	804736581	XWRSYADXOAESFN-CREWJEJQSA-N	374.234	2.098	10	10	FECE	
O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(C(=O)NCc5cc(Br)ccc5O)[C@H]1[C@@H]3[C@@H]42	804736584	XWRSYADXOAESFN-OSXWDHSYSA-N	374.234	2.098	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H](C)c1ccnn1C	817556529	DEQXMCPSKLGSPC-NSHDSACASA-N	365.817	2.084	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)NCc1ccc(N(C)C)cc1)C2	818103563	TWCRKGDKEWZGSO-UAGQMJEPSA-N	360.458	2.171	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCCN3C(=O)C(C)C)C2)cc1	819584135	ZCLQMVHJPKHKMR-APWZRJJASA-N	373.497	2.285	10	10	FECE	
Cc1cc(CC(=O)N2CCC(NC(N)=O)CC2)c(C)n1-c1ccccc1	829136425	ISVSQXCZFOPDGM-UHFFFAOYSA-N	354.454	2.296	10	10	FECE	
CN(C)c1ccc(CNC(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1	731679432	ASIGSMXQUNZXQW-SFHVURJKSA-N	352.438	2.357	10	10	FECE	
COc1ccc(N2CCN(S(=O)(=O)c3cnccc3C)CC2)cc1F	830828353	WCOZTJCBTLZLFL-UHFFFAOYSA-N	365.430	2.049	10	10	FECE	
C[C@H]1CO[C@H](C(F)(F)F)CN1CC(=O)NCc1ccc(N(C)C)cc1	839601801	SQOIFEGDMHEGTN-WFASDCNBSA-N	359.392	2.020	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)NCc2ccccc2O)C1(F)F	821060544	IDZFGVZEVKXXKF-DGCLKSJQSA-N	356.369	2.414	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)c1c(Cl)cnn1C	841569160	JPHTWDUQNYNXRW-LBPRGKRZSA-N	370.906	2.357	10	10	FECE	
CCO[C@H](CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)CN(C)C	926966622	XOWAREJOVVUUPC-DOTOQJQBSA-N	353.482	2.280	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc([S@](C)=O)cc3)C2)cc1	855229830	RLQKMFGCNACYHC-MQNRADLISA-N	358.463	2.441	10	10	FECE	
CN(CC(C)(C)N)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	851659124	OZOOCURLOGZYAQ-UHFFFAOYSA-N	373.545	2.097	10	10	FECE	
CCO[C@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[C@H]1CCOC1	866897855	KDXHHJIEEDOFBR-LNLFQRSKSA-N	363.454	2.341	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3c[nH]cc3-c3cnn(C)c3)CC2)cc1	778289203	HYEUZXHHYJLGMB-UHFFFAOYSA-N	365.437	2.386	10	10	FECE	
COc1ccc(N2CCN(C(=O)COC(=O)[C@@H]3C[C@H]3C(C)C)CC2)cc1	772498166	ZUEJOQYLSZKNEP-ZWKOTPCHSA-N	360.454	2.179	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	773995836	XHSMUUVTPIFGMC-XTXQVDMPSA-N	352.438	2.398	10	10	FECE	
C[C@@H]1CNc2c(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cnn2C1	1123606444	HZKGILXLEBQTRG-HUUCEWRRSA-N	369.469	2.272	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](CC)[C@@H]1CCCOC1	898459813	SAVZAPPGASQENW-IAGOWNOFSA-N	362.470	2.452	10	10	FECE	
CCOC(=O)N(C)CCCC(=O)N(C)CCN(C)c1ccc(OC)cc1	1130744895	LXUBDOOUBCKJEQ-UHFFFAOYSA-N	365.474	2.458	10	10	FECE	
C[C@@H](NC(=O)C1(NC(=O)OC(C)(C)C)CC(CO)C1)c1ccccc1O	1879545019	RDRGXOPNRLTFSB-BYKITBGFSA-N	364.442	2.235	10	10	FECE	
CC[C@H](C)[C@](C)(O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1256232428	OTCGXHFJSCPRJT-ZAAXVRCTSA-N	364.534	2.452	10	10	FECE	
COc1cccc(CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2CO)c1O	2116265096	JDSQNZNBNRPQKF-GJZGRUSLSA-N	366.458	2.108	10	10	FECE	
C[C@@H](NC(=O)c1ccc(CN(C)C)nc1)c1ccc(N2CCOCC2)cc1	1464527727	ICQPAZMRCBJWRM-MRXNPFEDSA-N	368.481	2.471	10	10	FECE	
CSCC[C@H](NC(=O)c1ccccc1)C(=O)NCc1cc(O)ccc1O	1471660998	QMULSVHTTVXSLS-INIZCTEOSA-N	374.462	2.266	10	10	FECE	
CCCN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(N=NC(N)=O)cc1	1626399174	VBZOTTPGKSEIOD-ZDUSSCGKSA-N	363.443	2.233	10	10	FECE	
Cc1ccc(-c2ccc(C(=O)Nc3nc(C4=S=CC=C4)n[nH]3)cc2)nn1	1558912126	DXBCAXXAMVMKGZ-UHFFFAOYSA-N	362.418	2.448	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1	1647270568	UYSSUDWFKLITQA-JTQLQIEISA-N	362.332	2.045	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CC1(c2cc(O)c(O)c(O)c2)CC1)C(=O)O	1952089817	KIETZXJBFXAOSR-SNVBAGLBSA-N	353.371	2.203	10	10	FECE	
Cc1cc(Br)cc(CN2CCC[C@H]2CS(C)(=O)=O)c1O	2151231331	VQAPBRRZCKTGKR-ZDUSSCGKSA-N	362.289	2.472	10	10	FECE	
O=C(c1cccc(O)c1O)N1CC[C@](COCc2ccccc2)(C(=O)O)C1	2159917829	MFKNTFFNJFVFMZ-FQEVSTJZSA-N	371.389	2.232	10	10	FECE	
CCS(=O)(=O)[C@@H]1CCN(c2cc(Br)c(CN)cc2F)C1	2179889593	AZFPKAUZQGZUAG-SNVBAGLBSA-N	365.268	2.060	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CCCNC(=O)c2cccc(O)c2O)C1	2054413939	MUXDTYTZAYKSQI-UHFFFAOYSA-N	350.415	2.475	10	10	FECE	
C[C@@H](O)c1ccc(N2CC(S(=O)(=O)C(F)F)C2)c(Br)c1	2206680744	FSBHCMJJIUPCCV-SSDOTTSWSA-N	370.215	2.328	10	10	FECE	
CN(C)c1ccc([C@@H](CN)N2C[C@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)cc1	2271766354	MNPGRAVXTBMSMF-WRWLIDTKSA-N	360.502	2.351	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)NC1CCN(Cc2ccncc2)CC1	2307996656	CKNWNFHTDOTJRV-UHFFFAOYSA-N	353.422	2.287	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(C1)[C@H](C(=O)N1CC[C@H](N=[N+]=[N-])C1)CO2	2342985297	LFBIKJNIGACIOC-XPFWZQFZSA-N	365.434	2.218	10	10	FECE	
CN(C(=O)COc1ccc(N)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F	2343634310	OUPIHQBPQBZYGO-HUUCEWRRSA-N	367.421	2.063	10	10	FECE	
COC(=O)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1	100280136	YSPYZOSZFJRGIJ-WJDWOHSUSA-N	364.357	2.448	10	10	FECE	
COc1ccc([C@@H](C)NC(=O)C(=O)N(C(C)=O)c2ccc(N)cc2)cc1	170318251	MKHQIBJFPQVNQO-GFCCVEGCSA-N	355.394	2.034	10	10	FECE	
CC1(C)CN(C(=O)NCc2ccc(N3CCCC3)cc2)CCS1(=O)=O	176485944	OFDYGGGBDIKMJB-UHFFFAOYSA-N	365.499	2.005	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1	31729523	OUEPZQVDUHNGAW-UHFFFAOYSA-N	372.494	2.482	10	10	FECE	
O=C1C[C@H]([C@@H]2CCCCN2C(=O)NCCCSc2nccs2)CN1	123436619	QYHDLWXLVPYFQG-STQMWFEESA-N	368.528	2.326	10	10	FECE	
CN(C)c1ccc(CNC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)cc1	130797438	CIGYCSFXZNMZAS-SFHVURJKSA-N	368.485	2.353	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)N2CCc3cc(O)c(O)cc3C2)C1	2366905828	IABLOMVXPDRPII-JLTOFOAXSA-N	374.437	2.240	10	10	FECE	
CCCC[C@H](NC(=O)NCC)C(=O)NCc1ccc(N(C)C)c(F)c1	137438150	RXHQOKCPVIUGPU-HNNXBMFYSA-N	352.454	2.386	10	10	FECE	
Cc1ccc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)s1	49740702	HVYJJSAOKUZAGF-UHFFFAOYSA-N	365.524	2.287	10	10	FECE	
COc1ccc(CN2CCc3ccc(S(=O)(=O)N(C)C)cc32)c(O)c1	191555221	MDKSKMPKUSVNSS-UHFFFAOYSA-N	362.451	2.214	10	10	FECE	
CCN(C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(OC)c(OC)c1	267930216	LNDMDGUHXBIXCX-CQSZACIVSA-N	356.488	2.202	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)NC1(CCO)CCCCC1	802021084	NTKACLSKDMZWFT-UHFFFAOYSA-N	361.486	2.408	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2C[C@@H](C(F)(F)F)OC[C@H]2C)c1O	809696706	OZPCSCZPOKCHSM-KCJUWKMLSA-N	350.293	2.461	10	10	FECE	
COc1cccc(CNS(=O)(=O)c2cccnc2C(F)(F)F)c1O	805010903	DLCJTLBXHHZJKE-UHFFFAOYSA-N	362.329	2.293	10	10	FECE	
CCN(OC)C(=O)CNC(=O)N(C)Cc1ccc(N(CC)CC)cc1	827551660	MHMZFCPDEGCISS-UHFFFAOYSA-N	350.463	2.084	10	10	FECE	
Cc1c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)nn2c1OCCC2	822786715	WVQVULMQAWEUTL-OAHLLOKOSA-N	370.453	2.302	10	10	FECE	
Cc1cc(C(=O)CN2CC[C@@H]3CN(C)C[C@H]32)c(C)n1-c1ccc(F)cn1	829998537	LQGZEGGZLRHHHO-CRAIPNDOSA-N	356.445	2.447	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1ccc(O)cc1	733886414	CAQNDZBAWOMFCV-UHFFFAOYSA-N	356.422	2.266	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N[C@H](C)c3nnc(O)n3C)c2C)cc1	912010067	NROYPNOTYKNGGK-GFCCVEGCSA-N	369.425	2.428	10	10	FECE	
O=C(N[C@@H]1CC[C@@H]2C[C@H]2C1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	842519202	XVJBLMWCLBCTSU-SPUZQDLCSA-N	372.465	2.205	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1C2CCC1(C(N)=O)CC2	922915834	QXDMMRBMWNWYFE-PCVOSPCESA-N	358.486	2.184	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3cccnc3Cl)C2)cc1	850537160	NHBBAEAOFABHPZ-LBPRGKRZSA-N	374.828	2.077	10	10	FECE	
Cc1nc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(C)s1	751664316	OAFSQLFHZAZEAT-HNNXBMFYSA-N	372.494	2.392	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)N(C)CC(F)(F)F)C2)cc1	855224963	MEQWBSNZLZBORS-QWHCGFSZSA-N	359.392	2.273	10	10	FECE	
COC(=O)[C@@H]1COCCN1CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	752311487	MHGJJBUUWQXFAC-SFHVURJKSA-N	374.412	2.290	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1occc1C(=O)OC	866442402	LADWCQPEGRUPMO-UHFFFAOYSA-N	366.439	2.343	10	10	FECE	
COC(=O)[C@H]1C[C@H](O)CN1Cc1ccc2c(c1)CCN2Cc1ccccc1	1329769697	AXRPKBMMJXNMGA-PZJWPPBQSA-N	366.461	2.358	10	10	FECE	
Cc1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)o1	773233074	VYLSSEQUOSEUNH-UHFFFAOYSA-N	364.832	2.414	10	10	FECE	
COC(=O)[C@H](C[C@@H]1CCCO1)NCc1cccc(Br)c1O	895863763	NJYCIKAXMUKKKW-AAEUAGOBSA-N	358.232	2.355	10	10	FECE	
CN1CCCc2cc([C@H](CN)N3CC(NC(=O)OC(C)(C)C)C3)ccc21	1881657851	FZMXSMMKCZAFKA-SFHVURJKSA-N	360.502	2.278	10	10	FECE	
CC(=O)N/C(=C\C1=S=CC=C1)C(=O)Nc1ccc(-c2nncs2)cc1	1156329481	DEAQQTYKBXWFHR-DHDCSXOGSA-N	370.459	2.441	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(Cn2ccnn2)c1	1154024389	BMPZBUDMPRTHLG-ZDUSSCGKSA-N	352.394	2.099	10	10	FECE	
NC(=O)N[C@@H](CC(=O)NCc1ccc2cccnc2c1O)c1ccccc1	1162607555	VAQOTAJEAMMAMX-INIZCTEOSA-N	364.405	2.356	10	10	FECE	
CN(CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)Cc1cnc[nH]1	1171911622	SGAPYVKSVCULNN-UHFFFAOYSA-N	374.400	2.256	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)c3ccc4c(n3)OCCO4)CC2)cc1	1332890255	VIDAQJGBOPWLBW-UHFFFAOYSA-N	369.421	2.214	10	10	FECE	
COc1ccc(CN[C@H](C)CN(C)C(=O)[C@@H]2C[C@H]2c2cncn2C)cc1C	1277937223	BMNUTXJBESMRRA-KBAYOESNSA-N	370.497	2.477	10	10	FECE	
COc1cccc(O)c1CN[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO	2116271761	ZCIHAHRBKWHUOH-ZFWWWQNUSA-N	366.458	2.108	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc(OC)c(F)c3N)C2)cc1	1453211009	FNACBUUJNWKIMO-GFCCVEGCSA-N	359.401	2.434	10	10	FECE	
CN(C)Cc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)o1	1539302572	TZOQUYGQASVFKQ-UHFFFAOYSA-N	357.454	2.450	10	10	FECE	
CC(C)c1nnc2n1[C@](C)(C(=O)NCc1ccc(N(C)C)cc1)COC2	1548356083	NWCQCGKWLAFHGM-IBGZPJMESA-N	357.458	2.029	10	10	FECE	
CC(=O)N1CCN(c2cccc(NC(=O)c3cc(F)cc(F)c3N)c2)CC1	1625315012	RFZCHTCSQAPINZ-UHFFFAOYSA-N	374.391	2.468	10	10	FECE	
CCN1C(=O)c2ccc(C(=O)N[C@H](C)c3ccccc3O)cc2S1(=O)=O	1648889989	VJOZTODLHVEHMN-LLVKDONJSA-N	374.418	2.048	10	10	FECE	
COc1ccc(N2CCN([C@@H]3C[C@H]4CCCC[C@@H]4NC3=O)CC2)c(OC)c1	1654564715	NLMWCKSZBCDCLA-HHXXYDBFSA-N	373.497	2.273	10	10	FECE	
CN(Cc1nccn1Cc1ccccc1)c1cc2c(cc1N)OCC(=O)N2	1915033143	OMVDMERQOAONHL-UHFFFAOYSA-N	363.421	2.481	10	10	FECE	
COc1ccc(CN[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)cc1C	1918666998	BQNUEHXMONKTCX-AWEZNQCLSA-N	350.459	2.464	10	10	FECE	
CCN[C@H](c1ccccc1O)[C@](C)(O)COCCNC(=O)OC(C)(C)C	1921946751	HYALEYCCXQWZNF-VQIMIIECSA-N	368.474	2.335	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@H](O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)ccc21	2136022220	UUANINMSQMWEPT-CGTJXYLNSA-N	361.486	2.297	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)c2ccn(-c3ccc(N)cc3)n2)CC1	312187602	MQHHHCXXISAHGK-UHFFFAOYSA-N	371.441	2.147	10	10	FECE	
C[C@H](N)c1ccc(N(C)C[C@H]2CCCS2(=O)=O)cc1Br	694120927	TWIUTUAZKSGEHM-CMPLNLGQSA-N	361.305	2.482	10	10	FECE	
CN1CCc2cc([C@H](N)[C@]3(O)CCN(C(=O)OC(C)(C)C)[C@H]4C[C@@H]43)ccc21	2177678654	LPQVBEGHUATCIG-DBSRCYSRSA-N	373.497	2.439	10	10	FECE	
CCNCc1ccc(N2CC[C@H](S(C)(=O)=O)C2)c(Br)c1	2179907894	KMJKLABZCFALEK-LBPRGKRZSA-N	361.305	2.182	10	10	FECE	
CON(C(=O)c1cccc(O)c1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1	2055890370	ZQOOEYHNIXUWGI-NSHDSACASA-N	352.387	2.111	10	10	FECE	
CO[C@H](C)[C@@H](CC(=O)N1CC[C@@H](CN=[N+]=[N-])C1)NC(=O)OC(C)(C)C	2060615776	SEHFPUJRCNPPMH-FRRDWIJNSA-N	355.439	2.464	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2073949847	KRKGLQMMDBWFKU-UPJWGTAASA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](CO)(NCc2ccc(F)cc2O)C1	2084167987	HSGDMULMCNNFAT-SFHVURJKSA-N	354.422	2.383	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc(N)cc2)[C@](C)(CO)C1	2106696963	UTHHWZOHLDDNSA-SFHVURJKSA-N	364.446	2.104	10	10	FECE	
C[C@@H](O)[C@H](C(=O)O)N1C(=O)C(=Cc2c[nH]c3ccccc23)SC1=S	2323823482	MBLOVSPLEFDDTJ-AMIZOPFISA-N	362.432	2.203	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@]1(C(=O)C(=O)C[C@H]3C[C@H](N)C3)C[C@@H]21	2330093452	GXYSXEQOJCGTKH-ARPZFIOFSA-N	362.470	2.430	10	10	FECE	
COc1ccc(N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)cc1	240720101	AOSGWTSCHGFWOD-UHFFFAOYSA-N	361.467	2.393	10	10	FECE	
Cc1nc2cc(N/C=C3\C(=O)NC(=S)N(CC(C)C)C3=O)ccc2o1	255043151	ZYKYJSUKPHWRMN-KPKJPENVSA-N	358.423	2.331	10	10	FECE	
O=c1c(=Cc2ccc(N3CCOCC3)cc2)sc2nc3ccccc3n12	252668192	DWOYWRKVKGTEBA-UHFFFAOYSA-N	363.442	2.294	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)N[C@@H]1CCc2n[nH]cc2C1	805215813	ZFQSXBNCCBKDBJ-GFCCVEGCSA-N	365.231	2.235	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCN1CC(F)(F)F	292322518	MMKDSYYREFKXIQ-MRXNPFEDSA-N	371.403	2.166	10	10	FECE	
CC[C@@H]1OCC[C@H]1C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O	803031307	RIOHVIFZXKYCFL-HIFRSBDPSA-N	355.818	2.362	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(C(=O)O)cc1	817112854	LPFQQKOWNIEGRP-UHFFFAOYSA-N	370.405	2.145	10	10	FECE	
O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCCc1ccc(O)c(O)c1	813488752	FCUPEOHXJQKEHJ-UHFFFAOYSA-N	352.293	2.186	10	10	FECE	
COc1cc(Br)c(O)c([C@@H](C(F)F)N2CCNCC2)c1	575284962	GGEGAQFZTSLTFA-NSHDSACASA-N	351.191	2.375	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cn(C)nc1Cl	828519042	BOIOGSQZWFDUNO-UHFFFAOYSA-N	372.208	2.248	10	10	FECE	
CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1cc2cc(O)c(O)cc2s1	900506072	GNJWNYCPZTWDRE-JTQLQIEISA-N	366.464	2.306	10	10	FECE	
CCC(C)(C)C(=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	900296731	RGGLKQBXJJWHEF-OAHLLOKOSA-N	359.470	2.010	10	10	FECE	
O=S(=O)(c1ccccc1)N1CC[C@H](N[C@@H]2CCc3cccc(O)c32)C1	834803279	OWQPUEBVCSTLTN-DOTOQJQBSA-N	358.463	2.432	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H](CN2CCOC2=O)C1	836321020	WZHSAYKTFQJLRX-KRWDZBQOSA-N	370.453	2.047	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)CCOCC3CCC3)C2)cc1	849417306	OVOQINKTYVWZKA-MRXNPFEDSA-N	368.499	2.010	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)N[C@H](C[C@H]1CCCO1)C(F)(F)F	847246557	UXSJPIHXJFSISQ-BXUZGUMPSA-N	362.348	2.440	10	10	FECE	
CC(=O)C(=O)COC(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2	850312667	WKNSZYGQHZPPSU-UHFFFAOYSA-N	361.394	2.295	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(-c2nc(-c3coc(C4CC4)n3)no2)c1	858829851	NRIOKBPZZWSBIN-UHFFFAOYSA-N	362.367	2.346	10	10	FECE	
CCCN(C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CCN(C)C1	854296014	GTNDAMSOGTZNSW-AEFFLSMTSA-N	360.502	2.400	10	10	FECE	
C[C@H](N[C@H]1CCN(c2ccc3nncn3n2)C1)c1cc(Cl)ccc1O	858488958	OTYBOTBVWQEAAS-AAEUAGOBSA-N	358.833	2.413	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCC3(CCOCC3)O2)c1	927179639	ZQYQVOLLNLUTHW-UKRRQHHQSA-N	364.442	2.489	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3CCN4CCOC[C@H]4C3)c2C)cc1	754467367	ZHWWDBQZFCGDSU-GOSISDBHSA-N	369.465	2.259	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3cccc(C)c3)C2)cc1	850536163	HTHURNVBGICPIR-MRXNPFEDSA-N	353.422	2.337	10	10	FECE	
CC[C@H](N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(F)cc1O	858490028	RZRXLIXYROJCKP-HIFRSBDPSA-N	356.405	2.289	10	10	FECE	
Cc1cc(CNC(=O)C(=O)N2CC[C@]23CCOC3)c(C)n1-c1ccccc1	1118891490	VHWHLFSDZRAGKC-OAQYLSRUSA-N	367.449	2.102	10	10	FECE	
CN1CC[C@@H](NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1(C)C	886324957	NUHRTNZTVNOSKS-GOSISDBHSA-N	358.530	2.351	10	10	FECE	
C[C@H](NC(=O)[C@@H]1OCC[C@H]1CNC(=O)OC(C)(C)C)c1ccccc1O	1877573376	KGEHFWBFVGOTMO-HEHGZKQESA-N	364.442	2.499	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)OC(C)(C)C1	1880091250	UHMODSQBKHYBBH-BHPKHCPMSA-N	368.474	2.103	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](CO)Cc1ccc(F)c(F)c1	791495883	VIKUZGNNZOACPN-ZRFDWSJLSA-N	363.360	2.357	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)Oc1cccc(CO)c1	1157103193	WDIOYOWJKCYCCM-ZDUSSCGKSA-N	350.411	2.454	10	10	FECE	
O=C(CCn1c(S)nc2ccccc2c1=O)N1Cc2cccc(O)c2C1	1306887962	MNPUSOUQPSMZCH-UHFFFAOYSA-N	367.430	2.323	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1C[C@@H]1c1ccccc1	1322964680	DRJIPLPFMLPCAK-RTBURBONSA-N	351.450	2.350	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ncc(Cl)cn1	1264688121	YBJXVZYEAQRCMN-UHFFFAOYSA-N	350.781	2.036	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)NC1C[C@@H]2[C@@H](C1)C2(F)F	1350370670	DTOYBQDAPFJMEV-HZPDHXFCSA-N	351.397	2.366	10	10	FECE	
C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO)c1ccc(O)cc1O	2116274681	QJLMIPHWQQUJOV-XEZPLFJOSA-N	366.458	2.366	10	10	FECE	
CCc1nc[nH]c1C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	1543070778	RWYMVSNMEYCMJG-UHFFFAOYSA-N	359.449	2.183	10	10	FECE	
C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	1540440925	ZAQIWHQJPCWTDV-JLSDUUJJSA-N	371.481	2.275	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)[C@](C)(O)Cc2ccccc2)N(C)C)cc1	1637005032	ZTTOOIMXRVWEOW-IFMALSPDSA-N	369.509	2.465	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1nn(-c2ccc(F)cc2F)cc1O	1597574850	USHDQIZCDKAXST-UHFFFAOYSA-N	361.304	2.197	10	10	FECE	
COc1cccc(CNC(=O)[C@H]2CSC(c3ccccc3O)=N2)c1O	1595800540	YRJWFCULWOFOFC-CYBMUJFWSA-N	358.419	2.285	10	10	FECE	
CO[C@H]1CCCN(c2nnc(C)n2Cc2ccc(N3CCOCC3)cc2)C1	1769051838	WBVUWJRHRZXVDF-IBGZPJMESA-N	371.485	2.087	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc(S(C)(=O)=O)cs1	152871974	MMYWHZBPXZFHBT-UHFFFAOYSA-N	352.481	2.456	10	10	FECE	
CCN(CC)c1ccc(CNCCC(=O)N2CCC[C@H](C(=O)O)C2)cc1	1857862228	FXLKANROFMTBBX-KRWDZBQOSA-N	361.486	2.336	10	10	FECE	
CN(C)c1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O)cc1	2136358776	YPYAWTGGMQDGEL-INIZCTEOSA-N	363.458	2.259	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H](CNCc2ccc(O)c(O)c2)C1	2040716290	IDMMWKJNVJKETE-CQSZACIVSA-N	352.431	2.071	10	10	FECE	
CC(C)(C)OC(=O)NCc1nc(=NCc2ccc(N3CCCC3)cc2)[nH][nH]1	2183148037	ZIDUDRWUAQRUDJ-UHFFFAOYSA-N	372.473	2.464	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)c2ccc(O)c(O)c2)CN(C(=O)OC(C)(C)C)C1	2054412585	FJEMEBSOJZNXDK-WCQYABFASA-N	350.415	2.473	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@]1(C(=O)N2CCC[C@H]2CN=[N+]=[N-])CCOC1	2060633877	SODTXRCFLOGNGV-LRDDRELGSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](CO)(NCc2c(O)cccc2F)C1	2070041876	GRUHTZUDZZHQAJ-SFHVURJKSA-N	354.422	2.383	10	10	FECE	
COc1cccc(O)c1CNCC1(O)CCN(C(=O)OC(C)(C)C)CC1	2104433173	BKRIVOWWBZUINM-UHFFFAOYSA-N	366.458	2.252	10	10	FECE	
CN(CC(=O)Nc1ccc(N)cc1)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21	2106766398	LZISPNXENLJVRP-SCAQPMJSSA-N	360.458	2.004	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](O)(CCNCc2cccc(F)c2O)C1	2208900693	WCKMMUCPOQOYQC-SFHVURJKSA-N	354.422	2.383	10	10	FECE	
COc1ccc(N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O)c(OC)c1	2257600873	FYKITAZPUYPZHC-CYBMUJFWSA-N	354.447	2.416	10	10	FECE	
CN1CCc2cc([C@@H](CN)N3C[C@H]4C[C@@]4(NC(=O)OC(C)(C)C)C3)ccc21	2287389202	BHWFQFVUJDVPHN-HGHGUNKESA-N	372.513	2.278	10	10	FECE	
CC(C)(C)OC(=O)NCC[C@@H](F)C(=O)N1CCc2cc(O)c(O)cc2C1	2341193691	HKKKVXGBJKVXIK-CYBMUJFWSA-N	368.405	2.235	10	10	FECE	
C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N1CCc2cc(O)c(O)cc2C1	2341200850	JEVFVASYLPJJNX-LBPRGKRZSA-N	364.442	2.486	10	10	FECE	
COc1cccc(/C=C2/C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)c1	33334326	KYOSAWMHUUNACV-GZTJUZNOSA-N	371.418	2.149	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCN(CC(F)F)CC2)c([N+](=O)[O-])c1	57856983	XCGPHQBYTMEJSW-HWKANZROSA-N	355.341	2.168	10	10	FECE	
O=C(N[C@@H]1CCCn2ncnc21)N(Cc1ccccc1O)C[C@H]1CCCO1	176595653	YIDZJJVZEYHWIW-HZPDHXFCSA-N	371.441	2.209	10	10	FECE	
Cc1cc(/C=C/C(=O)N2CC[C@@H](NC(N)=O)C2)c(C)n1-c1ccccc1	270659531	QHBQMPVSRBAGGS-KBOKABMXSA-N	352.438	2.377	10	10	FECE	
COc1cccc(CNC(=O)[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)c1O	290091787	KRIMVAHJYKRHSV-AWEZNQCLSA-N	368.405	2.222	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1	378508465	PEGVAKQAVZYHMI-LLVKDONJSA-N	362.332	2.045	10	10	FECE	
CNCc1ccc(N(C)C[C@H]2CCCS2(=O)=O)cc1Br	694114424	ZKSHTURDVCUMDM-CYBMUJFWSA-N	361.305	2.182	10	10	FECE	
CC(=O)Nc1cc(NS(=O)(=O)c2cccc3nonc23)c(F)cc1F	765061852	ZETHBXUFWDMCLI-UHFFFAOYSA-N	368.321	2.260	10	10	FECE	
CC1(C)CC(CC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1	814330320	DOSYHQBPESWHPP-UHFFFAOYSA-N	364.511	2.364	10	10	FECE	
CC[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCO1	817154787	PGZLYQPEZNGLJX-JKSUJKDBSA-N	365.449	2.419	10	10	FECE	
CC[C@H]1C[C@@H](NC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)CCO1	817878034	MKEFMXTYIUSTRM-WMZOPIPTSA-N	361.486	2.175	10	10	FECE	
CC(C)OC[C@H](O)CNCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	818965475	ASXKTVUXDGXBGZ-HLLBOEOZSA-N	354.466	2.315	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)C(C)(C)c3cnn(C)c3)C2)cc1	819585633	GQXMDWQTTVNWQY-OAHLLOKOSA-N	356.470	2.349	10	10	FECE	
Cn1cnc(CCCNC(=O)N(Cc2ccco2)Cc2ccccc2O)n1	827708083	SQQMSMOCIOWKNB-UHFFFAOYSA-N	369.425	2.458	10	10	FECE	
COCC1(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC1	847291999	KJRJJYWEYMSELJ-UHFFFAOYSA-N	361.486	2.121	10	10	FECE	
CC[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1CCCCO1	848934224	KOCDIPXKDLTLAH-RTBURBONSA-N	371.481	2.143	10	10	FECE	
COc1cccc(CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)c1O	850760327	XSSUFNCBPJHNCR-KRWDZBQOSA-N	357.410	2.383	10	10	FECE	
C[C@H]1CC[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CS1(=O)=O	853411830	NRCXDIDYEHWZCD-HOCLYGCPSA-N	365.499	2.052	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N(C)C[C@@H]3CCCN(C)C3)C2)cc1	854302219	XXAPEJZVFDFIPR-IAGOWNOFSA-N	360.502	2.257	10	10	FECE	
CC(C)(C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)n1cccn1	854906490	SLUOIQORXMWPMN-UHFFFAOYSA-N	364.396	2.049	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Cc3cn4ccccc4n3)C2)cc1	855229983	BNBKJCCJTKIHLT-HNNXBMFYSA-N	350.422	2.281	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H](C)Oc3cccc(CO)c3)C2)cc1	855233650	JZOHVGNGTGMKQE-RDJZCZTQSA-N	370.449	2.350	10	10	FECE	
COc1cc(Br)cc([C@H](C)NC[C@@H](O)[C@H]2CCCO2)c1O	858472343	YFCKWRKQAOKTOH-ZWKOPEQDSA-N	360.248	2.354	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)OCc3ccncc3)C2)cc1	869229637	ZWFJBFDWZNDSCM-DOTOQJQBSA-N	355.438	2.390	10	10	FECE	
COC(=O)c1c(CNCCNC(=O)C(C)(C)C)c2cc(F)ccc2n1C	894245564	VWYJZVFWHWSGKF-UHFFFAOYSA-N	363.433	2.356	10	10	FECE	
Oc1cc2c(cc1CN1C[C@@H]3COC[C@]3(c3ccccc3)C1)[C@H](O)CO2	905676712	CQMUXTSJEOFGRU-BSIFCXSSSA-N	353.418	2.218	10	10	FECE	
Cc1ccc(O)c(CNC(=O)[C@@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)c1	913000457	KACGVLYSJGFUEG-WBVHZDCISA-N	369.339	2.128	10	10	FECE	
O=C(NCc1c(O)cccc1F)N[C@H]1CCCN(C(=O)N2CCCC2)C1	922434289	WILLNAHUMQXREM-ZDUSSCGKSA-N	364.421	2.011	10	10	FECE	
Cc1ccc(O)c([C@H](C)NCC(=O)NCC(=O)N(C)Cc2ccccc2)c1	926967909	YIALGMVPPDXEOB-INIZCTEOSA-N	369.465	2.126	10	10	FECE	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(C=O)n(C)n2)cc1	931202652	HMIJRBDVFMHXRQ-SFHVURJKSA-N	370.453	2.120	10	10	FECE	
C[C@@H]1CN(CCCCNC(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H](C)O1	1137205308	XUGLSONBOZCRFA-ZIAGYGMSSA-N	361.446	2.468	10	10	FECE	
CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CC[C@H](CO)O1	1509135471	BBOBDUWCOZMPCI-DLBZAZTESA-N	374.485	2.359	10	10	FECE	
CCOc1cc([N+](=O)[O-])c(C(=O)NCc2cccc(O)c2O)cc1OC	1558159614	IYXUCPIKASGPMX-UHFFFAOYSA-N	362.338	2.343	10	10	FECE	
CCCNC(=O)Nc1ccc(CC(=O)NCc2c(O)cccc2O)cc1	1647268725	BHMWVUJBKYMQNW-UHFFFAOYSA-N	357.410	2.488	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2C[C@H]2Cc2ccccc2)c1	1648040687	YTVHVFYQHKOQTF-CABCVRRESA-N	374.462	2.372	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](C2CC2)[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1	2049782896	OHFKNPQANJMDII-MEWXFMAXSA-N	350.459	2.288	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NC(=O)c2ccc(O)c(O)c2)C1	2054416716	XNWGESDUPWOBHG-FTJNGKRUSA-N	370.427	2.003	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2060613176	OMEKQWSPDDPEBG-YNEHKIRRSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1	2064190312	YPXZVMJAAJVTKQ-SRVKXCTJSA-N	360.401	2.144	10	10	FECE	
C[C@H](CCNC(=O)OC(C)(C)C)N(C)C(=O)c1cc(O)c(O)c(O)c1	2068617505	JKCKHMXGLYNJPJ-SNVBAGLBSA-N	354.403	2.179	10	10	FECE	
COC(=O)[C@@H](CNC(=O)OC(C)(C)C)NCc1ccc2c(c1)CCCO2	2104273170	FBBUUJAXFCSOQO-OAHLLOKOSA-N	364.442	2.168	10	10	FECE	
C[C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(CCOc2ccc(N)cc2)C1	2106750220	ITNFHJUKJONAAW-OCCSQVGLSA-N	359.392	2.427	10	10	FECE	
C[C@@H]1CCN(CC(=O)Nc2ccc(N)cc2)C[C@H]1NC(=O)OC(C)(C)C	2106754282	OIDPQLITZVNSPQ-CZUORRHYSA-N	362.474	2.442	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C12CC2	2132409325	DSLMAMRSSVYOGR-ZDUSSCGKSA-N	364.398	2.075	10	10	FECE	
COc1cc(N)c(N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cc1OC	2153992107	DXDOZQGXLSQSAM-NQIIRXRSSA-N	369.465	2.376	10	10	FECE	
C[C@H]1[C@H](NC(=O)C(F)(F)F)[C@H](C)CCN1c1cc2c(cc1N)OCCO2	2163085032	JSKAWEULCWAYHW-HFBDOXOYSA-N	373.375	2.322	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-])[C@H]1CCCO1	2218743906	HGOFDDRXUAMONV-LPWJVIDDSA-N	353.423	2.406	10	10	FECE	
CN(C)CCCNC(=O)CN1C(=O)C(=Cc2cccs2)SC1=S	2296592846	LKWGZGJKILMCTJ-UHFFFAOYSA-N	369.537	2.017	10	10	FECE	
COc1cccc(CNCCOC2CN(C(=O)OC(C)(C)C)C2)c1O	2315422493	PWTPSFNIGRRHGN-UHFFFAOYSA-N	352.431	2.126	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCc4cc(O)c(O)cc4C3)C[C@H]12	2366905557	DDTCRNGSIDJWEM-JZKQVHKSSA-N	374.437	2.286	10	10	FECE	
CN(C)c1ccc(CNC(=O)Nc2ccc(N3CCOCC3)nc2)cc1F	58514937	XYWASQFWXZJCJV-UHFFFAOYSA-N	373.432	2.445	10	10	FECE	
CCC[C@](C)(O)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92643609	AHYGCWVZVIFSAY-NRFANRHFSA-N	359.514	2.386	10	10	FECE	
CCCN(CCO)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92451958	FVSRGOANHPJITR-UHFFFAOYSA-N	374.529	2.133	10	10	FECE	
Cc1ccc(-n2c(C)cc(/C=C/C(=O)N3CCOC[C@H]3C(N)=O)c2C)cc1	91779042	XMLPTPWAMDWNOJ-AIADIJKESA-N	367.449	2.128	10	10	FECE	
CCN1CC[C@@H](N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H](C)C1	246513167	IKVJVEYFSFJJRL-FXAWDEMLSA-N	360.546	2.373	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1C[C@H]2OCCC[C@@H]12	251842310	MVEPNLYLDWQWBR-XUVXKRRUSA-N	373.497	2.262	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1O	285474265	CGRKXBSJNBESQR-CQSZACIVSA-N	374.890	2.104	10	10	FECE	
CCNC(=O)C[C@@H]1CCCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1	284753892	LPEKFVRCGFHCBZ-IBGZPJMESA-N	374.529	2.092	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c2n(c(=O)n1C)CCCC2	822809028	MXWMDVHNTONCFQ-UHFFFAOYSA-N	356.470	2.251	10	10	FECE	
C[C@H](CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@@H]1CCCO1	822937735	LZLUPWNTUPYMKM-SUMDDJOVSA-N	373.497	2.210	10	10	FECE	
COC(=O)[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1	839676501	XBZYNTRWCRAEDF-ZMSDIMECSA-N	361.438	2.489	10	10	FECE	
Nc1ccc(CC(=O)N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1	832144635	ITDPIVIIHLGUCT-KRWDZBQOSA-N	365.412	2.340	10	10	FECE	
CCc1noc(CCCC(=O)N2CCN(c3ccc(OC)cc3)CC2)n1	916723299	IBOYFDYAIFDNMM-UHFFFAOYSA-N	358.442	2.312	10	10	FECE	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@H]2C[C@@H](C(N)=O)C2)cc1	845449676	DQDJBKJAMSRLCW-IYBDPMFKSA-N	370.453	2.321	10	10	FECE	
Cc1cc(O)c(CN2CCC(C(=O)NCCN(C)C)CC2)c(Cl)c1	840912795	WJRJABKAKUAWER-UHFFFAOYSA-N	353.894	2.244	10	10	FECE	
Cc1cc(Br)cc([C@H](C)NC[C@@]2(OCCO)CCOC2)c1O	850510985	ZANMREMSZGYFLB-LRDDRELGSA-N	374.275	2.282	10	10	FECE	
Cn1nc2c(c1CNCc1ccc(N3CCC(O)CC3)c(F)c1)CCC2	921587111	PUOSJVRSEBYOCY-UHFFFAOYSA-N	358.461	2.299	10	10	FECE	
CNC(=O)c1cccc(OCC(=O)NCc2ccc(N3CCCC3)cc2)c1	758409400	ZJROESNNVGQXGI-UHFFFAOYSA-N	367.449	2.342	10	10	FECE	
O=C1N[C@H](c2ccc(F)c(F)c2O)Nc2ccc(N3CCOCC3)cc21	864372095	GVNRJZYOENBRHY-QGZVFWFLSA-N	361.348	2.361	10	10	FECE	
C[C@@]1(c2cccc(CNCc3ccc4c(c3)CCCO4)c2)NC(=O)NC1=O	1119677443	HGFQWQRCTRPEQN-NRFANRHFSA-N	365.433	2.356	10	10	FECE	
CN1CCN(c2ccc(CN[C@H]3C[C@@H]4OC(C)(C)O[C@@H]4C3)cc2F)CC1	1119615191	RAKBNBXCJWZWQJ-OHFIKTQHSA-N	363.477	2.350	10	10	FECE	
COc1c(I)ncnc1N(C)Cc1ccccc1O	1877544695	GVCNITDOMFTTOB-UHFFFAOYSA-N	371.178	2.432	10	10	FECE	
COc1cc(C)cc(CNc2ccc3c(c2)CN(CC(N)=O)CC3)c1O	894592511	JFSUZTKSFKDUGL-UHFFFAOYSA-N	355.438	2.165	10	10	FECE	
CC(=O)c1cncc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	895785685	MYLBZXNKTKTJDU-UHFFFAOYSA-N	371.412	2.314	10	10	FECE	
COc1cc(C)cc(CNC[C@@H]2CN(Cc3ccncc3)CCO2)c1O	895412644	ZSOXQFWBSZDTDV-GOSISDBHSA-N	357.454	2.095	10	10	FECE	
COc1cc(NS(=O)(=O)c2ccc(C)c(NC(C)=O)c2)ccc1O	797820299	PXNDTAVFWMXPKA-UHFFFAOYSA-N	350.396	2.468	10	10	FECE	
C[C@H](NC(=O)CCNS(=O)(=O)c1ccccc1F)c1ccccc1O	1151892519	RCXRMJQBUSRUHY-LBPRGKRZSA-N	366.414	2.077	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)N3CC[C@@H](C(C)C)C3)C2)cc1	1325939075	BXIGWPKMGPYLJA-DLBZAZTESA-N	373.497	2.142	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]3[C@@H]3C[C@H]43)cc2)CC1	1350320378	YBYLESLPKZOBLV-XIKSMUEASA-N	367.493	2.297	10	10	FECE	
COC(=O)[C@@H]1CN(C(=O)/C=C/c2cncc(F)c2)c2ccc(F)cc2O1	1530901997	PCNOODQLFIAPGX-AUYOJAJCSA-N	360.316	2.340	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1	1472063727	OTVGLRKQUOADEX-CYBMUJFWSA-N	374.824	2.416	10	10	FECE	
COC(=O)[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)c2ccc(F)cc2O1	1628255028	KVDAAMYULDACKL-OPQSBORISA-N	373.336	2.217	10	10	FECE	
CC(C)(C)OC(=O)NCC(F)(F)CC(=O)NCc1ccc(O)cc1O	1639444182	AAXCMRULRGCCMX-UHFFFAOYSA-N	360.357	2.264	10	10	FECE	
C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1ccc(N3CCCC3)cc1)CS2	28333226	HVRFVDXNJWCUES-VQIMIIECSA-N	359.495	2.357	10	10	FECE	
C[C@@H](CC(=O)NCc1cccc(O)c1O)S(=O)(=O)c1ccc(F)cc1	1633509237	RVEIKLVIRRCCAS-NSHDSACASA-N	367.398	2.106	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)c3cc(F)cc4nn[nH]c34)CC2)cc1	1566562250	FGKWMWQBKNZJLB-UHFFFAOYSA-N	369.400	2.458	10	10	FECE	
CNC(=O)Cn1ccc2ccc(NC(=O)c3c(F)ccc(O)c3O)cc21	1641295301	XTDBKZOURNRJEY-UHFFFAOYSA-N	357.341	2.190	10	10	FECE	
COC(=O)c1ccc(NC(=O)CCN2C(=O)[C@@H](C)SC2=S)cc1	11636032	KYRVFQYGLFYBFR-SECBINFHSA-N	352.437	2.051	10	10	FECE	
COc1cccc(CNC(=O)CCc2cc3ccccc3[nH]c2=O)c1O	158242068	OGIJWZMHSJVSMH-UHFFFAOYSA-N	352.390	2.491	10	10	FECE	
CCN(C)c1ccc([C@@H](C)NCCN2CCN(c3ncccn3)CC2)cc1	164229724	CJSNSXHKAIUTRF-GOSISDBHSA-N	368.529	2.406	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(n2cncn2)CC1	155705256	XGVQPHFISIQCTG-UHFFFAOYSA-N	352.442	2.201	10	10	FECE	
COC(=O)C1(NCc2c(O)cccc2Cl)CN(C(=O)OC(C)(C)C)C1	1913921316	GXXSRSVXWQEKKD-UHFFFAOYSA-N	370.833	2.298	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@H]1C[C@H](N)CCO1	1952118549	GXGQUWVTZSJLOJ-XJKCOSOUSA-N	352.431	2.040	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)NCCCCN=[N+]=[N-]	2060609923	BDEBWWMRQABVMT-STQMWFEESA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)NC1(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)CCOCC1	2060634733	CXTIBCBVVIYLHH-LBPRGKRZSA-N	353.423	2.362	10	10	FECE	
C[C@@H](CCCNC(=O)c1cc(O)c(O)c(O)c1)NC(=O)OC(C)(C)C	2068619971	DJCLVROQCGRIMS-JTQLQIEISA-N	354.403	2.227	10	10	FECE	
N[C@H](c1ccccc1O)[C@]1(O)CN(Cc2ccccc2)[C@@]2(CCOC2)C1	2100082823	GQLHAFHCZTWAPV-QHAWAJNXSA-N	354.450	2.188	10	10	FECE	
COc1ccc(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c(CN)c1	2227680675	ADKIZHJJSPUGBP-NHCUHLMSSA-N	353.466	2.244	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1	2229541153	FUVYZYOYJXDJKZ-HDJSIYSDSA-N	364.442	2.307	10	10	FECE	
CCN(C1CCN(Cc2cc3c(cc2O)CCC3)CC1)S(C)(=O)=O	109001350	PTAYJKNGRPYCEM-UHFFFAOYSA-N	352.500	2.127	10	10	FECE	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCOC[C@H]3C(N)=O)c2C)c1	180267917	FPSGQQUYUJSJSI-SFHVURJKSA-N	355.438	2.037	10	10	FECE	
O=S(=O)(C(F)F)[C@@H]1CCN(Cc2cc(Br)ccc2O)C1	2368708802	CUJBQVPEDXWTBK-SNVBAGLBSA-N	370.215	2.366	10	10	FECE	
Oc1cc(I)c(I)cc1O	90711622	WYMUNTAGOVQDDU-UHFFFAOYSA-N	361.904	2.307	10	10	FECE	
COc1ccc(N2CCN(c3ccc(C(=O)N4CCCC4)nn3)CC2)cc1	243563963	ONPROXMKJQJSRW-UHFFFAOYSA-N	367.453	2.048	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@]2(CCCOC2)C1	286612072	LZWHPMHNPROMED-HXUWFJFHSA-N	359.470	2.378	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CC[C@H](OCc4ccncc4)C3)cc2N1	375667468	YFCSRBXSBRYUCN-ZDUSSCGKSA-N	370.365	2.116	10	10	FECE	
CCOc1cccc(CCNC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1	283541696	PYUZRWLGIJXHJY-UHFFFAOYSA-N	369.465	2.126	10	10	FECE	
CC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ncc(C(=O)O)[nH]1	904065455	RHQTVZPBALJKOE-CQSZACIVSA-N	362.405	2.325	10	10	FECE	
CCNCc1ccccc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1C	841039571	UZFSEEMEDCHDQM-UHFFFAOYSA-N	368.481	2.425	10	10	FECE	
CC(C)N1C(=O)CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1(C)C	745787122	TYYLBOOEQBYVPX-UHFFFAOYSA-N	364.465	2.433	10	10	FECE	
O=C(O)/C=C/c1ccc(N2CCC(Cn3ccnn3)CC2)c([N+](=O)[O-])c1	844214491	GFAYLUJQXVNUSO-DUXPYHPUSA-N	357.370	2.201	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CO[C@@H](C2CC2)C1	858154876	USRDGZVPIHNWGU-CRAIPNDOSA-N	363.433	2.029	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN[C@@H](C)C3CCCC3)CC2)cc1	754786804	AEHQVCVCYGSEKV-FXAWDEMLSA-N	361.530	2.346	10	10	FECE	
CC(=O)C(=O)COC(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2	850000737	DQNVOYQPHDRTBI-UHFFFAOYSA-N	367.423	2.356	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Cn3cc4ccccc4n3)C2)cc1	855231132	KOJNSGBIYPSLQE-MRXNPFEDSA-N	350.422	2.440	10	10	FECE	
COC(=O)c1cc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c(C)o1	856209416	MEORNLSXRNYREB-UHFFFAOYSA-N	372.421	2.266	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@H]3CCN(C)C[C@H]3C)C2)cc1	854300729	YZEBUQAKZJRTEF-GJYPPUQNSA-N	360.502	2.256	10	10	FECE	
Cc1cn2c(n1)C[C@@H](C(=O)NCc1ccc(N3CCC(O)CC3)cc1)CC2	862225572	BBYDMNIZXIOXNW-KRWDZBQOSA-N	368.481	2.031	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCC[C@]2(O)CCOC2)cc1	862129888	WKIRHXGMBFMFFC-NRFANRHFSA-N	370.449	2.107	10	10	FECE	
C[C@@H](NC[C@]12COCCN1C(=O)OC2)c1cccc(C(F)(F)F)c1O	866521789	PBSYJEGKGUWIGR-MEBBXXQBSA-N	360.332	2.283	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3n[nH]cc3C(F)(F)F)C2)cc1	869228471	JLGGOJZPWLQKSO-SNVBAGLBSA-N	354.332	2.446	10	10	FECE	
Fc1cc(CN[C@H]2CCO[C@]3(CCOC3)C2)ccc1N1CCOCC1	770751769	BKOUBGPMABQAGO-QFBILLFUSA-N	350.434	2.090	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4CNC[C@H]4C3)ccc(N)c2C1	1876305102	XEQAQRAUFSKMIX-KBPBESRZSA-N	358.486	2.218	10	10	FECE	
COc1ccc(O)c(CNC(=O)c2ccnc(O)c2Br)c1	772403121	FQFDBGFLFDGZOC-UHFFFAOYSA-N	353.172	2.194	10	10	FECE	
CCOC(=O)c1n[nH]c([C@H](C)NCc2cc(F)c(N(C)C)cc2F)n1	895240842	GKNRTEYVPMMICG-VIFPVBQESA-N	353.373	2.176	10	10	FECE	
CCOC(=O)N1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1	895473034	NEWZALVFGHWVTE-UHFFFAOYSA-N	350.396	2.227	10	10	FECE	
COC(=O)c1cnc(CN2CCN(c3ccc(OC)c(F)c3)CC2)s1	894089562	UXEVTQVILVPIBQ-UHFFFAOYSA-N	365.430	2.400	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)c3cccc(O)c3O)cn2)C[C@@H](C)O1	790544536	YIHAHSMUPHKGNX-BETUJISGSA-N	357.410	2.036	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)COc3ccsc3)cc2)C1	799912990	DJNXNWZFZDRALW-HNNXBMFYSA-N	373.478	2.145	10	10	FECE	
C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H](C)N1C(=O)OC(C)(C)C	1146710558	OMSHHUKLDJMBBH-BETUJISGSA-N	364.442	2.497	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCC(C)(C)C(F)(F)F)cc1F	1323668150	HGKPIESWBSHJJN-UHFFFAOYSA-N	363.355	2.213	10	10	FECE	
CC(C)N(C)C[C@@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1251500637	IAVFQTNXZDRQLS-VQIMIIECSA-N	363.550	2.383	10	10	FECE	
Cc1nnc(N2C[C@H](C)O[C@@H](C)C2)n1Cc1ccc(N2CCOCC2)cc1	1511814143	XMWKQZSBGMSZMC-HOTGVXAUSA-N	371.485	2.085	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCC(CN3CCOCC3)CC2)cc1	1291003165	YJTGSBBRNHHKCZ-UHFFFAOYSA-N	359.430	2.033	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCN(c3ccccc3)C(=O)C2)cc1	1454897941	ZHDHZUTXMUMMPC-UHFFFAOYSA-N	351.366	2.338	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)c1cncc(N2CCCC2=O)c1	1469248487	HOBYSYXJJQDOGA-UHFFFAOYSA-N	362.389	2.392	10	10	FECE	
Cn1c(S)nc2cc(C(=O)N3Cc4cccc(O)c4C3)ccc2c1=O	1471355186	FBMLOHKYDNFINM-UHFFFAOYSA-N	353.403	2.084	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(O)cn3)cc2F)C[C@@H](C)O1	1543233889	SVXJAYXYBFNBEY-BETUJISGSA-N	359.401	2.470	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)c3n[nH]cc3F)cc2F)C[C@H](C)O1	1544676061	GGUVHRGCIDUCLI-QWRGUYRKSA-N	350.369	2.232	10	10	FECE	
C[C@@]1(c2ccc(C(=O)NCc3cc(Cl)ccc3O)cc2)NC(=O)NC1=O	1628666949	NHRBIBDGSBGVCO-SFHVURJKSA-N	373.796	2.030	10	10	FECE	
CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)c1c(F)ccc(O)c1O	1638507397	SCWQDPHRRCTHEM-LLVKDONJSA-N	367.398	2.219	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccncc3NC(C)=O)CC2)cc1	1566326645	VBSNHIRFHIZIBK-UHFFFAOYSA-N	354.410	2.011	10	10	FECE	
Cc1ccc(-n2nnc(CC(=O)NCc3ccc(O)cc3O)c2C)cc1	1630301929	NUIXCMHESKAIRS-UHFFFAOYSA-N	352.394	2.154	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)N2CCC(CN=[N+]=[N-])CC2)C1	2124511683	GSNMBRYDOTWWMS-CQSZACIVSA-N	367.450	2.419	10	10	FECE	
COC(=O)[C@H](C)N1C(=O)/C(=C\c2ccc(OC)cc2OC)SC1=S	6097249	ZCGQKLANJUPDAH-PBJWJZLWSA-N	367.448	2.467	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)NCc1c(O)cccc1F	1684236666	HJNQGYANPDURRH-RIEGTJTDSA-N	365.405	2.338	10	10	FECE	
C[C@H](O)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2Cl)SC1=S	1858591898	CRTAVEAAMOKAPT-JZMJZOPTSA-N	357.840	2.375	10	10	FECE	
CO[C@](C)(CCN)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	1951991792	CSDDBAFZZXAOKZ-CRAIPNDOSA-N	354.447	2.288	10	10	FECE	
COc1cc([C@]2(C(=O)O)C[C@H]2NC(=O)OCc2ccccc2)cc(O)c1O	1952828501	BJLDFEJTYPVJBK-DNVCBOLYSA-N	373.361	2.128	10	10	FECE	
CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060611089	OYIIGXXFXGGZKT-STQMWFEESA-N	354.455	2.133	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)N1CC[C@H](N=[N+]=[N-])C1	2060635836	PTEQPNRGWQMRHU-YNEHKIRRSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H](CCNCc2cccc(O)c2O)C1	2060834048	QEEMEAJWUAKXNH-AWEZNQCLSA-N	352.431	2.213	10	10	FECE	
CN1CCCc2cc(CN[C@@H]3COC[C@H]3NC(=O)OC(C)(C)C)ccc21	2093581526	SIYPIKRINIMWJY-IAGOWNOFSA-N	361.486	2.451	10	10	FECE	
CN(Cc1ccccc1)C[C@H](O)CN1CCOc2cc(N(C)C)ccc21	119429523	IKOALTCQHYDGAF-IBGZPJMESA-N	355.482	2.444	10	10	FECE	
Cc1ccc(N2CC[C@@H](NC(=O)C=Cc3ccc(O)c(O)c3)C2=O)cc1	2307987719	GNDCNQBRXDWDMI-MRXNPFEDSA-N	352.390	2.341	10	10	FECE	
COC(=O)[C@H](C)CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	177580610	JRBGZZIYKGTWEW-QAPCUYQASA-N	362.470	2.459	10	10	FECE	
COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)c1ccc(-n2c(C)ccc2C)cc1	111147212	AMYZWRRELVIXHI-ROUUACIJSA-N	356.422	2.497	10	10	FECE	
CCCC(=O)N[C@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1	170651682	FFFFKEKGUXNLFL-SFHVURJKSA-N	374.529	2.092	10	10	FECE	
O=C(c1n[nH]c2c1CCCC2)N1CCc2cc(N3CCOCC3)ccc21	62526557	HLEZDNJPWFUNLQ-UHFFFAOYSA-N	352.438	2.328	10	10	FECE	
CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NCCc1ccc(O)c(O)c1	120420981	QXTLEBDJNQFMKL-SFHVURJKSA-N	374.412	2.350	10	10	FECE	
CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CCCN(c2cccnn2)C1	181099636	MHMOQDURUIYSCL-LOWQCSRCSA-N	354.410	2.028	10	10	FECE	
CC[C@@H]1CN(C(=O)NCCCSc2nccs2)CCN1C[C@@H](C)O	181982467	MYECQSCHYCFGBV-ZIAGYGMSSA-N	372.560	2.112	10	10	FECE	
COc1ccc(N2CCC(NCC3CCS(=O)(=O)CC3)CC2)cc1	367563300	LDXLONHSJODKMM-UHFFFAOYSA-N	352.500	2.078	10	10	FECE	
COCc1cc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)ncn1	378388125	HAKUSTPIVDTJPH-UHFFFAOYSA-N	371.441	2.376	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCO[C@]3(CCCOC3)C2)c([N+](=O)[O-])c1	376188910	SIHDUEGRXTWJNN-MJICGBHWSA-N	362.382	2.167	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@@H]3[C@H]64)cc1	800433368	RKFFWXOYNNAQGD-JAUVUZIBSA-N	350.462	2.476	10	10	FECE	
Cn1ncc2c(O)nc(NCc3cc(Br)ccc3O)nc21	804826712	DVTAVCRCWOTKAZ-UHFFFAOYSA-N	350.176	2.149	10	10	FECE	
CS(=O)(=O)N1CCCC[C@H]1CNCc1cc(Cl)c(F)cc1O	816608792	JQNVWORZJUGVFU-NSHDSACASA-N	350.843	2.088	10	10	FECE	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H]2CCNC(=O)CC2)cc1	815152994	DRUNMYUVXLCGBC-MJGOQNOKSA-N	373.497	2.177	10	10	FECE	
COC[C@]1(C(=O)OC)CCCN1Cc1ccc(Br)cc1O	827489950	YYBHNXLJOVDQCS-HNNXBMFYSA-N	358.232	2.309	10	10	FECE	
COc1ccc(N2CCC(NS(=O)(=O)Cc3cc(C)on3)CC2)cc1	735316509	QUUWIEHGAHIFLI-UHFFFAOYSA-N	365.455	2.080	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1	835025161	GIJXJASUJRMHRW-MEDHRJKHSA-N	357.498	2.337	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)NCC1(O)Cc2ccccc2C1	739022338	ZJIXLZSGZXQPEV-UHFFFAOYSA-N	353.466	2.390	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)N3C[C@H](C)[C@H]3C)CC2)cc1	837392209	UEKQNDFEYWZINL-DLBZAZTESA-N	360.502	2.257	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3ccc(C)c(C)n3)CC2)cc1	839680124	DXJMGMGGOLTJFH-UHFFFAOYSA-N	368.481	2.259	10	10	FECE	
CC[C@@](C)(CO)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	847641249	SSVDXQCAOLLCLB-NRFANRHFSA-N	359.514	2.243	10	10	FECE	
CN1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742803985	RUMLQPSLGYXNSJ-CZUORRHYSA-N	353.413	2.467	10	10	FECE	
CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCc2ccccc2O)C1	852697223	YNMILHLTFBXFOJ-IBGZPJMESA-N	368.481	2.008	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H]([C@H]4CCOC4)C3)C2)cc1	852453358	IGRGZKNXODMHGE-ULQDDVLXSA-N	359.470	2.342	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3ccc(Cl)nc3)C2)cc1	850536980	LLUCCVZHWKFRNW-CYBMUJFWSA-N	374.828	2.077	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCCc3c(C)nn(C)c3C)C2)cc1	851956130	RUZAQKHSCQBZNS-MRXNPFEDSA-N	371.485	2.166	10	10	FECE	
CS(=O)(=O)C1CCC(CNCc2ccc(N3CCOCC3)cc2)CC1	922421765	MDWGHUIJZDSDSR-UHFFFAOYSA-N	366.527	2.216	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@]3(C(=O)O)C[C@H]4CC[C@H]3C4)C2)cc1	852954732	QKMYCKGIXSXORA-UJKGCTCZSA-N	358.438	2.281	10	10	FECE	
COC(=O)[C@H]1C[C@H](C)N(CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1	860189700	VZWMILCUZDQSCM-SCAQPMJSSA-N	361.486	2.031	10	10	FECE	
COc1cc(Br)cc(CNCc2nc(CSC)n[nH]2)c1O	886327503	LGOWFWGDCLRQOO-UHFFFAOYSA-N	373.276	2.434	10	10	FECE	
O=C(N[C@@H]1C[C@H]2C[C@H]1[C@H](CO)C2)N(Cc1ccccc1O)C[C@H]1CCCO1	898168450	FZCTYTAXPOACFV-LZBKUMLDSA-N	374.481	2.490	10	10	FECE	
O=C(NCc1cccc(O)c1O)[C@@H]1CCCN1C(=O)Nc1ccccc1	1153797611	CZJASRCGWWGUKF-HNNXBMFYSA-N	355.394	2.411	10	10	FECE	
CCN(CC)c1ccc(CN(C)c2nnc(C3=NNC(=O)C3)n2CC)cc1	1342787529	DWJWKDLLDPETSE-UHFFFAOYSA-N	369.473	2.005	10	10	FECE	
CCn1cc(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(O)nc1=O	1352605950	DEJDHTJPDCXWEY-UHFFFAOYSA-N	366.421	2.306	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc([N+](=O)[O-])cc1N	1299699072	NEBUBQXEMBEDIE-UHFFFAOYSA-N	373.365	2.088	10	10	FECE	
CCc1ccccc1N1C[C@H](C(=O)NCc2cc(O)ccc2O)CC1=O	1558174959	VLPBOWJMUIESDW-OAHLLOKOSA-N	354.406	2.330	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)N3CCC[C@H]3CN=[N+]=[N-])[C@@H]2C1	2124536368	QUIFJJSGPXXWFV-FQUUOJAGSA-N	365.434	2.170	10	10	FECE	
Cc1nn(CCC(=O)NCc2cccc(Cl)c2O)c(C)c1[N+](=O)[O-]	1653567232	PXLSKGWDOHFZQN-UHFFFAOYSA-N	352.778	2.474	10	10	FECE	
COc1ccc(N2CCN(Cc3cc(O)nc(C4CC4)n3)CC2)c(OC)c1	1654565206	XZQBOHIEWJXLGV-UHFFFAOYSA-N	370.453	2.399	10	10	FECE	
CCOCCOC1CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1	1772909943	QEOZILLFTULFSC-ALCCZGGFSA-N	350.371	2.023	10	10	FECE	
CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H](C)Oc2ccc(N)cc2)c1	1860077661	BRUONHQHXKPJMC-NSHDSACASA-N	364.423	2.174	10	10	FECE	
Nc1ccc(OCCCN2CCC[C@@H](NC(=O)c3cccnc3)C2)cc1	586061732	WMWGXFSAQZTUCH-GOSISDBHSA-N	354.454	2.327	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNC(=O)c3cccc(O)c3O)[C@H]2C1	2138562179	XJVOLKLFCBOJSX-XBFCOCLRSA-N	362.426	2.331	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H](CC(=O)NCc2ccccc2O)C1	2135877473	JJULYWUOZBQPKY-AWEZNQCLSA-N	364.442	2.282	10	10	FECE	
O=C(N[C@]1(c2cc(O)c(O)c(O)c2)C[C@H]1C(=O)O)OCc1ccccc1	1952774256	FSYCSRSWGUFNIW-SGTLLEGYSA-N	359.334	2.030	10	10	FECE	
COc1cccc(C=C2SC(=S)N(N3C(=O)CCCC3=O)C2=O)c1	2040736903	PTVPHSLWPQALCP-UHFFFAOYSA-N	362.432	2.351	10	10	FECE	
CN[C@@H](C)c1ccc(N2CCS(=O)(=O)[C@H](C)C2)cc1Br	707162097	FTCIYSRUUSEYKL-MNOVXSKESA-N	361.305	2.353	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)c1ccn(-c2ccc(N)cc2)n1	2162516659	SUMBAUNVYMMNCT-STQMWFEESA-N	373.457	2.486	10	10	FECE	
N[C@H]1CC[C@H](C(=O)O)N(Cc2cc(Cl)cc(Br)c2O)C1	2188782681	SGLPPXXNWQCCOY-GXSJLCMTSA-N	363.639	2.184	10	10	FECE	
CN(C)c1ccc([C@H](O)c2nn(C)cc2I)cc1	2057482302	YEGNMZFSAQJTDF-ZDUSSCGKSA-N	357.195	2.172	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])O1	2060633532	OTHLUGVSIDBBAL-FRRDWIJNSA-N	353.423	2.360	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CO1	2060613882	WMHVEZRGWQHEST-UPJWGTAASA-N	353.423	2.170	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@]12COC[C@@H]1CN(C(=O)OC(C)(C)C)C2	2060639925	NMVSHYFFYYBWIL-LRDDRELGSA-N	353.423	2.029	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1CNC(=O)COc1ccc(N)cc1	2106265555	OAMMGWBVPOLXDH-HNNXBMFYSA-N	363.458	2.409	10	10	FECE	
CN(CCCOc1ccc(N)cc1)C[C@H](O)CN(C)C(=O)OC(C)(C)C	2106685020	CLYRHNVFFGZYDK-INIZCTEOSA-N	367.490	2.197	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@]2(COCCN2c2ccc(N)cc2)C1	2106837804	CGNWNMGZTFLZLW-IBGZPJMESA-N	363.458	2.112	10	10	FECE	
CC(C)CN1C(=O)C(=CNc2ccc(F)c(F)c2F)C(=O)NC1=S	2295113159	BFZRNSWERGCZCQ-UHFFFAOYSA-N	357.357	2.299	10	10	FECE	
CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(S(N)(=O)=O)cc1	2296800609	IUWZDABDTAUMTC-UHFFFAOYSA-N	356.407	2.053	10	10	FECE	
COC(=O)[C@H](C)N1C(=O)C(=C2C(=O)Nc3ccc(C)cc32)SC1=S	2297465432	CISNZGGJXZDIFN-QMMMGPOBSA-N	362.432	2.080	10	10	FECE	
C[C@H](c1cccnc1)N1CCN(C(=O)C=Cc2ccc(O)c(O)c2)CC1	2307987159	HVYXGIPZTIUULT-OAHLLOKOSA-N	353.422	2.411	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N[C@@H]1CCCN(c2ccccc2)C1=O	2307987347	UMWLBIXTXYEDAM-MRXNPFEDSA-N	352.390	2.423	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@]1(C)C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2312334038	JMNMBAGPCPIZID-WQGACYEGSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(NCc3cc(F)ccc3O)CO[C@H]1C2	2312827734	QYSMEOIFTOGWGO-QIIPPGSGSA-N	352.406	2.446	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)NCCCN=[N+]=[N-])C[C@@H]2OCCC[C@@H]21	2313263077	ZHPAEXUXRIWLLS-MKBNYLNASA-N	353.423	2.265	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21	2315989896	VNHOMJZIYIITED-FRRDWIJNSA-N	353.423	2.027	10	10	FECE	
COC(=O)c1cncc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1	271889566	SUROCPWTVFRCOY-UHFFFAOYSA-N	370.409	2.027	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CC[C@](O)(c4ccc(F)cc4)C3)cc2N1	375043081	TXHKTMGSVTUYML-GOSISDBHSA-N	373.340	2.163	10	10	FECE	
O=C(/C=C\[C@@H]1CCCO1)NCc1cc(F)c(N2CCOCC2)c(F)c1	819565396	XULHHFWFSGILCI-NQHOJNORSA-N	352.381	2.153	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)N3C[C@H](C)CC[C@@H]3C)C2)cc1	824980584	GQZDGXWXFPQGBZ-IXDOHACOSA-N	373.497	2.285	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N2CCC(c3ccco3)CC2)cc1	826705900	DBUAAJDADXBAAN-UHFFFAOYSA-N	355.438	2.368	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]12	828496386	GCEFNNWLCNTVKY-ZIFCJYIRSA-N	353.466	2.231	10	10	FECE	
COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C/C=C\c1ccc(N(C)C)cc1	835028320	GZGTUMICDRBVPL-HRULKVOTSA-N	372.465	2.191	10	10	FECE	
Cc1cc(C(=O)N2CCN(Cc3ccc(N(C)C)cc3C)[C@H](C)C2)n[nH]1	840952519	CQXGDQIUKRPVRV-MRXNPFEDSA-N	355.486	2.439	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cc(-n4cccn4)ccn3)C2)cc1	855231824	OQANVUQTQMGVDG-OAHLLOKOSA-N	363.421	2.285	10	10	FECE	
CCCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	851925360	VRSKSLGRYCRSPF-KRWDZBQOSA-N	360.502	2.448	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)cc1	855234825	NRVZTZMPILTMSI-ZDUSSCGKSA-N	356.382	2.194	10	10	FECE	
COC(=O)[C@@H](CF)NC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1	861728805	OQSUCMXMXUBITG-MRXNPFEDSA-N	360.385	2.456	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)cc1	864926999	QOVDLYPHZOCLFD-CABCVRRESA-N	360.376	2.495	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC[C@H](O)CN3CCN(C)CC3)c2C)c1	863582280	FLAISDCNLKCSJA-QFIPXVFZSA-N	370.541	2.100	10	10	FECE	
Cc1nnc2cc(NCc3ccc(N4CCC(O)CC4)c(F)c3)ncn12	764390956	BRIYAAAODUBLAV-UHFFFAOYSA-N	356.405	2.145	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4CC[C@]4(N)C3)ccc(N)c2C1	1876189793	WHJMKBGRLXFALL-RBZFPXEDSA-N	358.486	2.490	10	10	FECE	
CCOc1ccccc1N1C[C@@H](C(=O)NCc2cccc(O)c2O)CC1=O	1123890528	ZHUWCOSVFNIRFR-AWEZNQCLSA-N	370.405	2.166	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)CCC(C)(C)C(C)=O)cc2)CC1	787320090	RNQGTHFUEVHTRG-UHFFFAOYSA-N	373.497	2.367	10	10	FECE	
CS(=O)(=O)[C@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1	897671214	VPRQPEJYKNFWBI-NSHDSACASA-N	369.464	2.352	10	10	FECE	
CS[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1N(C)C	897238004	SZNFMXOUCNJAOX-BMIGLBTASA-N	352.481	2.430	10	10	FECE	
CCOC(=O)CN(Cc1ncc(C(=O)OC)s1)Cc1ccccc1O	895056878	CQFFIYJHUUFJKK-UHFFFAOYSA-N	364.423	2.201	10	10	FECE	
C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O	792532601	GBEOIJFZRANWFY-GZMMTYOYSA-N	366.361	2.177	10	10	FECE	
CCc1nnc(N2CCO[C@H](C)C2)n1Cc1ccc2c(c1)CCCN2C	1306215811	TYKQXYHCWNTSJM-OAHLLOKOSA-N	355.486	2.496	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(N(C)C)COc2ccccc2C1	1348213904	VZCZJFXUDLUZHE-SPLOXXLWSA-N	370.449	2.081	10	10	FECE	
CON(C)c1nnc(-c2sc3ncccc3c2O)n1C[C@H]1CCOC1	1346507670	MDACJVYBVJRYLC-SNVBAGLBSA-N	361.427	2.295	10	10	FECE	
O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1	1292880710	LPBSDONYXBLLTM-INIZCTEOSA-N	355.390	2.375	10	10	FECE	
COc1ccc(C(=O)CCC(=O)NCc2ccc(O)cc2O)cc1OC	1299571491	WVUBNWPYBACIPO-UHFFFAOYSA-N	359.378	2.394	10	10	FECE	
COc1ccccc1-c1nnc(CC(=O)NCc2ccc(O)cc2O)o1	1469159786	NNHULLLVCQMTNQ-UHFFFAOYSA-N	355.350	2.015	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)Cc1ccc(O)c(O)c1	1623312898	JWPDOZQUZHNGDY-GFCCVEGCSA-N	352.431	2.402	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](F)C(=O)NCc2c(O)cccc2O)C1	1558535838	QCOVADFJASUISB-IAQYHMDHSA-N	368.405	2.309	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H](CO)c1ncc[nH]1	1639484975	PDBNSELKJJCSSJ-MRXNPFEDSA-N	352.394	2.093	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC[C@H](O)COc2cccc(F)c2)cc1	1630104988	HYKAFFMREHZNNH-AWEZNQCLSA-N	360.345	2.158	10	10	FECE	
Cn1[nH]c(=NC(=O)OC(C)(C)C)cc1C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2124542823	JXEDRUVXFXTRJU-LLVKDONJSA-N	363.422	2.352	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C=C[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1	2124318645	ZYSSNDFSJJLOSD-KBPBESRZSA-N	362.426	2.226	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2124516080	CORBXRFNPZWGHO-MELADBBJSA-N	367.450	2.417	10	10	FECE	
O=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N1Cc2cccc(O)c2C1	1643169833	UZZAEFBKPORVSA-UHFFFAOYSA-N	351.337	2.233	10	10	FECE	
CCO[C@@H]1[C@@H](C)[C@H]1C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	1585403403	HQGKCOMKNFIMDZ-GDIGMMSISA-N	363.477	2.255	10	10	FECE	
Cc1cccc(N2C[C@H](C(=O)NCc3cc(O)ccc3O)CC2=O)c1C	1593873750	ZJKBCSGAFJOUAT-OAHLLOKOSA-N	354.406	2.384	10	10	FECE	
COc1cc(Br)cc(CN2C[C@H](C(N)=O)CC[C@H]2C)c1O	159534188	PUTMESBZBLWACS-NXEZZACHSA-N	357.248	2.249	10	10	FECE	
O=S(=O)(Cc1ncsc1Br)NCc1ccccc1O	1210029993	HJZQVUZKUMGDEZ-UHFFFAOYSA-N	363.258	2.231	10	10	FECE	
COC(=O)c1cc(NS(=O)(=O)c2cc(C)ccc2OC)ccc1O	1260296865	IFSYEYUAXQENSS-UHFFFAOYSA-N	351.380	2.297	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C	1968788194	DCSZEXSHVBHZMH-DOMZBBRYSA-N	352.431	2.187	10	10	FECE	
CN(C)c1ccc(CNCC2(CCO)CN(C(=O)OC(C)(C)C)C2)cc1	1972792913	ARSUFSPFDXSFGP-UHFFFAOYSA-N	363.502	2.462	10	10	FECE	
C[C@H](O)c1ccc(N(C)C[C@H]2CCS(=O)(=O)C2)cc1Br	2148781059	DOSCCHRXTQLVAL-WDEREUQCSA-N	362.289	2.373	10	10	FECE	
CC1(C)C[C@@H](S(C)(=O)=O)CN1c1ccc(CN)cc1Br	2179920974	WTFNQFVZOONJPC-LLVKDONJSA-N	361.305	2.310	10	10	FECE	
COCCN(c1ccc(OC)cc1N)C1CN(C(=O)OC(C)(C)C)C1	2044744551	XYUOMKPQELGNGR-UHFFFAOYSA-N	351.447	2.350	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCC[C@@H]2[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1	2053218367	FUFSSPXQNNYBEV-UNXFNURESA-N	350.459	2.191	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCCN(CC(=O)NCCCCN=[N+]=[N-])C1	2060609918	BBXORLJLOFPFCW-ZDUSSCGKSA-N	354.455	2.182	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NCc2ccc(F)c(F)c2O)C1	2063342880	YVXASYYINJHDRS-OLZOCXBDSA-N	358.385	2.130	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](CO)(NCc2ccc(F)c(F)c2O)C1	2070019411	PYLQBVGBRPAKNR-QGZVFWFLSA-N	358.385	2.132	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@](F)(CNC(=O)COc2ccc(N)cc2)C1	2106259890	OSVHZLUTQKPBIZ-QGGXVJLZSA-N	367.421	2.159	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CNC[C@H]1C[C@H](O)CCO1	2097944753	GNFFAIONUWHPDE-GHMZBOCLSA-N	350.640	2.438	10	10	FECE	
COCC1(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CC(NC(=O)OC(C)(C)C)C1	2225149862	SPQOVVTUGSFPII-SFYCDEOASA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc3c(c2)COCC3)CC[C@H]1CO	2226716139	RRUYRAHTZMVUMS-MAUKXSAKSA-N	362.470	2.471	10	10	FECE	
CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)N3CCC[C@@H]3CN=[N+]=[N-])(C1)C2	2254795812	KHOFZQWLIZLSKL-HFBAOOFYSA-N	351.407	2.114	10	10	FECE	
COc1ccc(N(C)CC2(O)CN(C(=O)OC(C)(C)C)C2)c(OC)c1C	2278068178	ZPWAWKKRJFXGJK-UHFFFAOYSA-N	366.458	2.430	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CC(F)(F)CN1C(=O)c1ccc(O)c(O)c1	2278855455	OBMHRCDETVFKLP-LLVKDONJSA-N	372.368	2.472	10	10	FECE	
CN(C)c1ccc(CNC(=O)Cn2nnnc2C=Cc2ccccc2)cc1	2300361890	CXRMXXBLRMJAGA-UHFFFAOYSA-N	362.437	2.226	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@H]2NC(=O)COc1ccc(N)cc1	2341164270	XAZYASWBIHNFGK-DUVNUKRYSA-N	361.442	2.162	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](CNCc2ccc(F)cc2O)N2CC[C@H]1C2	2342844255	UUXJDNDPYAELNZ-HOTGVXAUSA-N	365.449	2.315	10	10	FECE	
CC(=O)Oc1ccccc1/C=C1\SC(=S)N([C@H](C)C(=O)O)C1=O	15034588	MPQRQLJWHHTGDK-HLPMDPMVSA-N	351.405	2.286	10	10	FECE	
C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(N2CCC(O)CC2)cc1	90537879	ZJJRXSZCBYGPSD-CQSZACIVSA-N	359.430	2.103	10	10	FECE	
COC(=O)CN(CC(=O)NC1CCCCC1)Cc1cc(Cl)ccc1O	109779949	ODSCZXRUNGGOKY-UHFFFAOYSA-N	368.861	2.470	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC2)cc1	178847533	UEOLBQUEUVIIDS-QRVBRYPASA-N	371.481	2.484	10	10	FECE	
Nc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)cc1	237941143	LRLXRJBBBOZYGY-KRWDZBQOSA-N	357.479	2.223	10	10	FECE	
COc1ccc(N2CCN(c3nncc(N4CCC(C)CC4)n3)CC2)cc1	242550098	CAPLWKNXHMKUSF-UHFFFAOYSA-N	368.485	2.443	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2C[C@H](C)[C@H](N3CCOCC3)C2)c1O	246304817	CAAPMUDRZLLDPC-YVEFUNNKSA-N	352.862	2.401	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(C3CC3)n2)cc1F	293148241	SGLOXEDKAMOANV-UHFFFAOYSA-N	356.401	2.419	10	10	FECE	
Nc1ccc(CN2CCC[C@H](NC(=O)c3ccc4c(c3)OCO4)C2)cc1	586062539	ZHTMXGDOTWCYSD-KRWDZBQOSA-N	353.422	2.392	10	10	FECE	
CC(C)[C@H](C)CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	740473371	LSWZIRHXLMDEKE-WBVHZDCISA-N	360.502	2.480	10	10	FECE	
Cn1ncc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c1C1CC1	770747328	XSQKSVSSPGHYOK-UHFFFAOYSA-N	368.437	2.137	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)N[C@@H](C)c3ccccc3)C2)cc1	826594503	MBCCUXWVKPZINN-DOTOQJQBSA-N	367.449	2.268	10	10	FECE	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1[nH]ccc1C1CC1	837354379	SRNOOEMFOUQPTR-UHFFFAOYSA-N	373.478	2.057	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN3CCC34CCCC4)CC2)cc1	844275616	DZRJVBMIHRWLAC-IBGZPJMESA-N	359.514	2.197	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)[C@]34C[C@H]5C[C@@H](C(=O)N3)[C@H]4C5)cc2)CC1	845459112	MOCCSSHVIIOWCT-OSGXGRJZSA-N	367.493	2.454	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)CCOC3)cc1	850339566	PAGBRWQPBYUCCL-UHFFFAOYSA-N	353.422	2.080	10	10	FECE	
Cc1cncc(CCNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1	852012214	GKZAIKIEWVGZHU-MRXNPFEDSA-N	369.469	2.225	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)cc1	855230046	CDPMLRZQHPPOCW-CYBMUJFWSA-N	357.366	2.318	10	10	FECE	
COc1ccc(N2CC[C@@H](CNS(=O)(=O)CCOC(C)(C)C)C2)cc1	867429484	ZHJRBIXDUOUYRM-HNNXBMFYSA-N	370.515	2.256	10	10	FECE	
c1cc(N2CCN(CC3CC3)CC2)ccc1CN[C@@H]1CCO[C@]12CCOC2	903131126	QNHUFGFXTAARRA-YADHBBJMSA-N	371.525	2.256	10	10	FECE	
CCNc1cccnc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1	1123838046	PKVWUALDRNBXGE-UHFFFAOYSA-N	354.454	2.405	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCO[C@@H](c3ccnn3C)C2)c1	1312705454	KRCFYCYOPNNVGY-ZJNRKIDTSA-N	374.441	2.415	10	10	FECE	
Cc1cnc(CNC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)c1	1334839377	BWLPRSXWKIZKSB-HNNXBMFYSA-N	354.454	2.258	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@H]2COCCN2C)n1CC1CC1	1345110715	DCSFZFXHKRRUHU-MRXNPFEDSA-N	357.458	2.033	10	10	FECE	
CN(C)CCC[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CCO1	1347237214	GQXBSCRIWBPSSU-MRXNPFEDSA-N	366.481	2.144	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3ccc(N=NC(N)=O)cc3)[C@H]2C1	1450414868	QWDDQYADUVJCFZ-WDNDVIMCSA-N	373.413	2.444	10	10	FECE	
CCc1nc(C(=O)NCc2cc(O)ccc2O)nn1-c1ccccc1F	1455356576	JLLPWISUZGFZFL-UHFFFAOYSA-N	356.357	2.310	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CC(O)(c2ccnn2C)C1	1471474524	ZZBKNZRFHCRLMN-UHFFFAOYSA-N	356.451	2.233	10	10	FECE	
Cn1c2c(ccc1=O)[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)CCC2	1557326722	WZOYCBZWTLDLOE-AWEZNQCLSA-N	353.382	2.355	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CC12CCOCC2	1597567200	HFOXCLYYIMEIIH-CQSZACIVSA-N	367.829	2.364	10	10	FECE	
CCOC(=O)C[C@@](C)(NCC(=O)NCc1ccc(N(C)C)cc1)C(C)C	1617421036	QTKDKAYFHCYLJJ-HXUWFJFHSA-N	363.502	2.326	10	10	FECE	
CC(C)(C)OC(=O)NOCCCNC(=O)/C=C/c1ccc(O)c(O)c1	1639612375	UZBZLGPSWQFRTE-SOFGYWHQSA-N	352.387	2.074	10	10	FECE	
Cc1oc2ncn(C)c(=O)c2c1C(=O)NCc1ccc2cccnc2c1O	1639621732	RCZNDWPDIFUHSW-UHFFFAOYSA-N	364.361	2.019	10	10	FECE	
C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@]12CCCC[C@@H]1C2	1643545463	HJFZMZHOHATOAD-XWCIJXRUSA-N	352.456	2.462	10	10	FECE	
CN(CCNC(=O)[C@@]12CCC[C@@H]1C2)C(=O)c1ccc(N=NC(N)=O)cc1	1745210951	KTJQKTPKONCPBU-FZKQIMNGSA-N	357.414	2.227	10	10	FECE	
COC[C@@]1(C(=O)NCCCCN=[N+]=[N-])CCN(C(=O)OC(C)(C)C)C1	1963732174	IQIHIIMCICVXTK-MRXNPFEDSA-N	355.439	2.467	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCO1	1968856805	CPDDBIWTFKZTQN-HOTGVXAUSA-N	364.442	2.423	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)NCC2(CN=[N+]=[N-])CC2)N(C(=O)OC(C)(C)C)C1	2060613464	RLKPXLLQHOIUGM-NEPJUHHUSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](O)(C(=O)N2CCC(N=[N+]=[N-])CC2)C1	2063391140	MHFMPVVAYTYDII-INIZCTEOSA-N	353.423	2.050	10	10	FECE	
N[C@H](c1ccccc1O)[C@]1(O)CN(Cc2ccccc2)[C@]2(CCOC2)C1	2100082821	GQLHAFHCZTWAPV-NJDAHSKKSA-N	354.450	2.188	10	10	FECE	
C[C@H]1CN(C(=O)CCc2ccc(N)cc2)CC[C@@H]1NC(=O)C(F)(F)F	2106705857	GKFUGWKURFWHBN-FZMZJTMJSA-N	357.376	2.117	10	10	FECE	
CN1CCc2cc([C@H](N)c3cn(C)nc3I)ccc21	2106851660	WTZJFUMNGPUPOP-ZDUSSCGKSA-N	368.222	2.065	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)N2CCC(N=[N+]=[N-])CC2)C1	2124540271	FRBYGEBXVFJOJA-QGZVFWFLSA-N	367.450	2.440	10	10	FECE	
CN(Cc1ccccc1O)C(=O)c1cn(C)nc1CNC(=O)OC(C)(C)C	2180844532	TXECKRGHMBYBJL-UHFFFAOYSA-N	374.441	2.423	10	10	FECE	
CN(C)c1ccc([C@H](N)C2CN(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1	2269086398	QYCIVRJQHLORRE-SFHVURJKSA-N	360.502	2.304	10	10	FECE	
CC(C)(C)OC(=O)N1CCn2cnc(C(=O)N3CC[C@H](N=[N+]=[N-])C3)c2C1	2271020246	JEFYCKXPUQIXBQ-NSHDSACASA-N	361.406	2.159	10	10	FECE	
CC1(C)OC(=CC=C2C(=O)NC(=S)NC2=O)C=C(c2ccccc2)O1	2296932735	KITMJZYLOXZDLS-UHFFFAOYSA-N	356.403	2.152	10	10	FECE	
CC(=O)NCCCN1C(=O)C(=Cc2c(C)nc3ccccn23)SC1=S	2323888659	ABDDQIQANVZUPI-UHFFFAOYSA-N	374.491	2.370	10	10	FECE	
C[C@@H](N[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)c1ccc(O)cc1O	2330888213	SOGRHOOXQKHIDU-FIUQPQMISA-N	364.442	2.383	10	10	FECE	
CCCN(CCO)c1cc2c(cc1Br)[C@H](NCC)C(=O)N2	118711895	FFHKIEKKRUHYGE-AWEZNQCLSA-N	356.264	2.261	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cn1nc(C)cc1C	181590644	QCHSDEVNHAJWOL-UHFFFAOYSA-N	365.817	2.061	10	10	FECE	
COc1ccc(N(C)C(=O)/C=C/c2cc3cnn(C(C)C)c3[nH]c2=O)cn1	127843959	BOMAXAXWXAAFAN-VMPITWQZSA-N	367.409	2.385	10	10	FECE	
COC(=O)C[C@](C)(NCc1ccc(N2CCOCC2)cc1)c1ccncc1	191906458	BATJOIJPTFDSFN-NRFANRHFSA-N	369.465	2.486	10	10	FECE	
CC1(CNC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)COC1	93793874	WADGTCPOIQVMRW-UHFFFAOYSA-N	372.513	2.054	10	10	FECE	
CC[C@@H](CO)N1CCN(Cc2cc(Br)cc(OC)c2O)CC1	93739795	IWVWMGKXSGETTO-AWEZNQCLSA-N	373.291	2.052	10	10	FECE	
OCC1([C@H](NCc2ccc(N3CCOCC3)cc2)[C@@H]2CCCO2)CCC1	367960152	XIIOTMICVUNNHV-VQTJNVASSA-N	360.498	2.323	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1	364938487	COVDANHEQLKFLA-PMPSAXMXSA-N	368.437	2.342	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NCc1ccc2c(c1)CCN2C	378873846	VHOMOGDFTBSKQH-WMZOPIPTSA-N	361.486	2.403	10	10	FECE	
C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1CCC(=O)Nc1ccc(N)cc1	2162947011	DACLILKZLODAOT-BXUZGUMPSA-N	372.391	2.129	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)[C@H]3C[C@@H]3C(F)F)CC2)cc1	800804779	INOKQLFKZWTUSR-IRXDYDNUSA-N	367.440	2.225	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)N[C@@H]3C[C@H]3C3CCC3)CC2)cc1	822855501	HUAIGCRHWQLNLB-VQTJNVASSA-N	372.513	2.305	10	10	FECE	
COC(=O)[C@@]1(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)CCOC1	829947806	IXOZFVDUSOXLNV-HXUWFJFHSA-N	356.422	2.085	10	10	FECE	
COc1ccc(O[C@H](C)C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)cc1	832293195	RDPRVHHJZJLRAP-KUHUBIRLSA-N	357.454	2.345	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCCN2CCSC[C@@H]12	919909536	RTOXZHAOLOXXQR-OALUTQOASA-N	372.538	2.442	10	10	FECE	
O=C(NCCCSc1nccs1)N1CCNC[C@H]1c1cccnc1	841858086	SVBISOGASDBAEB-AWEZNQCLSA-N	363.512	2.376	10	10	FECE	
C[C@H](NC(=O)N1CCC[C@@]2(CCNC2)C1)c1ccc(N2CCOCC2)cc1	841739954	CPNCKKNSLPPQSV-UWJYYQICSA-N	372.513	2.369	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3nnc(-c4ccco4)o3)C2)cc1	912292706	PIKPAFOAFSXZQM-LBPRGKRZSA-N	354.366	2.347	10	10	FECE	
O=C(NCCC1=CCNCC1)NCc1cc(Br)ccc1O	841984788	HYUDZKBNNSYMLS-UHFFFAOYSA-N	354.248	2.264	10	10	FECE	
C[C@H](C(=O)N[C@H](C)c1ccccc1O)[C@@H](O)CN(C)C(=O)OC(C)(C)C	913764017	YFPABVAXLFRCED-ZENOOKHLSA-N	366.458	2.433	10	10	FECE	
C[C@@H](NC(=O)Cc1cn2c(n1)CCCC2)c1ccc(N2CCOCC2)cc1	845297610	BYQFYIPQNAYVAL-MRXNPFEDSA-N	368.481	2.476	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@H]1CCOC1(C)C	852685379	GPFUMZJCGHEZCX-QGZVFWFLSA-N	361.486	2.480	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCN(CC4CC4)CC3)C2)cc1	854301315	NINDVHZCGQDVDM-KRWDZBQOSA-N	358.486	2.011	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@H](O)C(F)(F)F)cc1	859888481	SXTRHSBHZBRDIW-INIZCTEOSA-N	368.355	2.489	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCC3(CF)CCOCC3)C2)cc1	852369638	ZMHBNHOLNSJNKW-HNNXBMFYSA-N	365.449	2.339	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CCC[C@H]3C(F)(F)F)nc12	859627064	QYMCUIFVFKZVCS-NSHDSACASA-N	358.320	2.138	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(OC)c3O)C2)cc1	854300449	SVQRAVMWBKAAQQ-HNNXBMFYSA-N	371.437	2.488	10	10	FECE	
COc1ccc(N2CCN(C(=O)COC(=O)[C@H]3C[C@H]3C(C)C)CC2)cc1	772498165	ZUEJOQYLSZKNEP-ROUUACIJSA-N	360.454	2.179	10	10	FECE	
CCOC(=O)[C@@]1(C)CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CCO1	871225617	VUHGWSBPTGNWIF-HXUWFJFHSA-N	371.437	2.283	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)Nc3nnnn3C3CC3)ccc21	1129151078	QNKIRCTWPNOBPY-UHFFFAOYSA-N	354.414	2.478	10	10	FECE	
Oc1c(F)cc(Br)cc1CN1CCC(N2CC[C@H](O)C2)CC1	895345492	UXQGFFTWFQIYMX-AWEZNQCLSA-N	373.266	2.325	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N1CCC[C@@H]1C1CC1	1340671662	GIWVWNAMSHKSAP-GOSISDBHSA-N	373.522	2.257	10	10	FECE	
Cc1cc(=O)oc2cc(OCC(=O)NCc3cccc(O)c3O)ccc12	1303192807	APRJLHOMIJXXLD-UHFFFAOYSA-N	355.346	2.208	10	10	FECE	
C[C@H]1OCC[C@@]1(O)Cn1c(C2CCC2)nnc1N(C)Cc1ccccc1O	1305249309	ZVZIDQNSRPVLIL-JLTOFOAXSA-N	372.469	2.428	10	10	FECE	
CCN(CC)c1ccc(/C=c2\s/c(=C/C(=O)c3ccco3)[nH]c2=O)cc1	97992880	WXTKJDGFNDDLOG-MGYAYREDSA-N	368.458	2.368	10	10	FECE	
COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccccc1O	881440646	JUFWAPPNVOGYMI-JSGCOSHPSA-N	352.431	2.499	10	10	FECE	
CC1(C)CC[C@@H](CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)OC1	1262132956	QINZTMTUINICCD-SFHVURJKSA-N	371.481	2.000	10	10	FECE	
COCC1(CCNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1	1261476455	UHTUHLAFGVMYDI-UHFFFAOYSA-N	373.497	2.177	10	10	FECE	
COc1ccc(CCNCc2ccc(N3CCN(C)CC3)c(F)c2)cn1	1261830215	ODSCYTDCQKNEPB-UHFFFAOYSA-N	358.461	2.313	10	10	FECE	
C[C@@H]1CNc2c(C(=O)NCc3cccc(Br)c3O)cnn2C1	1352070366	KWAJFMNEURKOHT-SECBINFHSA-N	365.231	2.343	10	10	FECE	
CN(C(=O)c1ccc(N=NC(N)=O)cc1)c1ccc(N2CCOCC2)nc1	1296155845	IOQZYEPUZHNZGO-UHFFFAOYSA-N	368.397	2.357	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1	1295792420	PEDQXABBSGWEEG-OCCSQVGLSA-N	364.442	2.402	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)NCc2cccc(O)c2O)C1	1521851091	GNZGHAOWWZMTTP-GXTWGEPZSA-N	368.405	2.309	10	10	FECE	
Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1C[C@H]1CCC(=O)N1	1543146647	HHJPQQAANYLBRS-QGZVFWFLSA-N	368.485	2.102	10	10	FECE	
Cc1ccc([C@](O)(CC(=O)NCc2cc(O)ccc2O)C(F)(F)F)o1	1471661036	FFJTWZSNDHKIFQ-OAHLLOKOSA-N	359.300	2.456	10	10	FECE	
Cc1nc(COc2ccc(C(=O)NCc3cccc(O)c3O)cc2)no1	1637035315	QRSKUESTPICBDG-UHFFFAOYSA-N	355.350	2.298	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1)[C@H]1CCOC1	2124514854	ZNOBXTQVZDJKQO-IHRRRGAJSA-N	367.450	2.465	10	10	FECE	
CO[C@@H]1[C@@H](C)[C@H](NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1(C)C	1679440554	LTHSMSYVWCGCCF-ZYSHUDEJSA-N	374.529	2.297	10	10	FECE	
CO[C@@H]1[C@H](C)[C@H](NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1(C)C	1679440552	LTHSMSYVWCGCCF-AYOQOUSVSA-N	374.529	2.297	10	10	FECE	
CCCCn1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1=O	11781524	WXIAKJLPYCATQM-UHFFFAOYSA-N	370.453	2.014	10	10	FECE	
COc1cc(CN2CCN(Cc3c(C)nn(C)c3C)CC2)c(O)cc1C	160258615	LSDREBPWDGKAOA-UHFFFAOYSA-N	358.486	2.377	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N(C)CCN(C)C(=O)OC(C)(C)C	2044594522	RGHJMXVSSDBLSY-ZDUSSCGKSA-N	350.463	2.395	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)NCC2(CN=[N+]=[N-])CC2)O1	2060633668	QDZIDSOHMRSTGV-NWDGAFQWSA-N	353.423	2.265	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2060633048	JDRHOWSJFPTJEV-FRRDWIJNSA-N	353.423	2.170	10	10	FECE	
CCN(C[C@@H](O)COc1ccc(N)cc1)C[C@@H](C)NC(=O)OC(C)(C)C	2106754573	QPCRJZULNHVNPB-GDBMZVCRSA-N	367.490	2.244	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](CNCc2ccc(O)c(O)c2)C[C@@H]2COC[C@@H]21	2097568311	UJCIYOQFGMKTSY-ILXRZTDVSA-N	364.442	2.212	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CN1[C@H]2CCNC[C@H]1COC2	2204642814	QCNLJYUCVJDLEY-RYUDHWBXSA-N	361.667	2.371	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1CC(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-]	2218735696	QTBIDUZEQOCAIR-WUHRBBMRSA-N	353.423	2.264	10	10	FECE	
COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cccc([N+](=O)[O-])c1	2294034697	ZALRTAMZVMDKLS-HNNXBMFYSA-N	372.377	2.446	10	10	FECE	
C[C@@H](c1cccnc1)N1CCN(C(=O)C=Cc2ccc(O)c(O)c2)CC1	2307987158	HVYXGIPZTIUULT-HNNXBMFYSA-N	353.422	2.411	10	10	FECE	
CCOc1cccc(C=C2SC(=S)N(CCNC(C)=O)C2=O)c1O	2323719535	CJSNTZHWUCCFLP-UHFFFAOYSA-N	366.464	2.128	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@](N)(c2ccc3c(c2)CCN3C)C1	2344479683	DSBVLUHPJILECB-OXJNMPFZSA-N	361.486	2.489	10	10	FECE	
Cc1cc(/C=C/C(=O)OCc2nc(N)nc(N)n2)c(C)n1-c1ccccc1	6993683	XUFRUZWXQOMJLK-CMDGGOBGSA-N	364.409	2.200	10	10	FECE	
Cc1cc(N2CCN(Cc3cc(Cl)ccc3O)CC2)n2ncnc2n1	133920989	XRVDACGNSXAXBL-UHFFFAOYSA-N	358.833	2.114	10	10	FECE	
COC(=O)COc1ccc(N(C)C(=O)c2c[nH]cc2-c2cnn(C)c2)cc1	427941179	ZDMTVKXMNGZLRB-UHFFFAOYSA-N	368.393	2.244	10	10	FECE	
COc1ccc(CN2CC[C@H]2CNC(=O)NCc2ccccc2O)cc1	528178769	LGPXWTNYMSHBFK-KRWDZBQOSA-N	355.438	2.475	10	10	FECE	
COc1ccc(N2CCN(c3cnc(C(=O)N4CCCC4)cn3)CC2)cc1	243750108	PWGGQMKHNJESTP-UHFFFAOYSA-N	367.453	2.048	10	10	FECE	
C[C@H]1COCC[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	277630758	XVFNIOIELFJEHN-SUMWQHHRSA-N	365.449	2.011	10	10	FECE	
COC1CCC(CNC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1	806946764	PNANZHLOGLMCRQ-SYJJWHGVSA-N	361.486	2.251	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Nc3cc(C)cn(C)c3=O)C2)cc1	821968769	KMBJLBWACHCDIQ-AWEZNQCLSA-N	356.426	2.103	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C(=O)OC)C2)cc1F	731404324	JPQKXDNWQLYTGS-CQSZACIVSA-N	351.422	2.376	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1F	917616723	AERGFGYGZGQVRU-VKJFTORMSA-N	365.449	2.275	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC[C@]1(O)CCOC1	845451396	YJGBTMNEWLDIPW-FQEVSTJZSA-N	361.486	2.360	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCCN2CCSC[C@@H]12	919909535	RTOXZHAOLOXXQR-MOPGFXCFSA-N	372.538	2.442	10	10	FECE	
CN(C)c1ccc(CNC(=O)NC[C@@]2(CO)CCc3ccccc32)cc1	844774579	IUSKBGNUTBYJCR-OAQYLSRUSA-N	353.466	2.428	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)NC[C@H]3C[C@@H](N(C)C)C3)C2)cc1	847386285	BMHFCXHCNYXYNF-XYJFISCASA-N	360.502	2.161	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@H]1CN(C2CC2)C(=O)O1	847386022	PNVUKMQSJSKIKR-KSSFIOAISA-N	374.485	2.274	10	10	FECE	
CN1CCC2(CC1)CN(Cc1cc(Cl)cc([N+](=O)[O-])c1O)CCO2	843432466	XAOYTJLLUWCHKC-UHFFFAOYSA-N	355.822	2.250	10	10	FECE	
C[C@H](NC(=O)N[C@H](C[C@H]1CCCOC1)C(=O)O)c1ccc(N(C)C)cc1	929046986	XECJMQMIPWORNS-JJRVBVJISA-N	363.458	2.383	10	10	FECE	
O=C(NCC1(C2(O)CCOCC2)CC1)c1cc2cc(O)c(O)cc2s1	928675773	HQODFPYGPYWCIY-UHFFFAOYSA-N	363.435	2.364	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCCCn3nc(C)cc3C)C2)cc1	852457722	ZCUOERPCYCJPBX-QGZVFWFLSA-N	371.485	2.477	10	10	FECE	
Cc1cc(CC(=O)N[C@H]2CCc3c(nnn3C)C2)c(C)n1-c1ccccc1	855051119	OYQDFSUFSOPVDF-KRWDZBQOSA-N	363.465	2.439	10	10	FECE	
Nc1ccc(Cc2nc(C(=O)NCCO[C@H]3CC3(F)F)cs2)cc1	851643212	MWYLEKASHJMLHR-ZDUSSCGKSA-N	353.394	2.470	10	10	FECE	
C[C@H](NCC[C@H]1CNCCS1(=O)=O)c1ccc(N2CCCCC2)cc1	925797249	MURRHPAETAPDJY-LPHOPBHVSA-N	365.543	2.104	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@H](CNCc3cccc(O)c3O)O2)C1	690598630	CBGSIUZBEYDHEM-CQSZACIVSA-N	364.442	2.356	10	10	FECE	
C[C@H](NC(=O)N1C[C@H](C)[C@@H](O)[C@H](C)C1)c1ccc(N2CCOCC2)cc1	853487721	VJYLSERGTZHVDK-CYJAXWMASA-N	361.486	2.243	10	10	FECE	
O=C(CC[C@H]1CC[C@H](C2OCCO2)O1)NCc1cc(Cl)ccc1O	898276880	GOWPJLMJZHCUPV-UKRRQHHQSA-N	355.818	2.363	10	10	FECE	
CON(C)S(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2O)c1	1151886048	SOQYEFYRLFPWCC-GFCCVEGCSA-N	364.423	2.065	10	10	FECE	
CN(C)CCOc1ccc(/C=C/C(=O)NCc2c(O)cccc2O)cc1	1304054025	AMWJAGRGVRWNJH-DHZHZOJOSA-N	356.422	2.368	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)c2cnc3c[nH]nc3c2)N(C)C)cc1	1304769707	YGSWWMJADHQNIR-GOSISDBHSA-N	352.442	2.057	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)S2	1335060195	XIEGKQBTRPJVER-SJORKVTESA-N	361.511	2.208	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)N[C@@H]3CC=CC[C@H]3C)C2)cc1	1262290914	NNKHGAGGKAXXKF-GPMSIDNRSA-N	371.481	2.109	10	10	FECE	
Cc1cc(CC(=O)NC[C@H](C(=O)O)[C@@H]2CCOC2)c(C)n1-c1ccccc1	1345169953	IQTIAPLJAWZKDX-APWZRJJASA-N	370.449	2.490	10	10	FECE	
CCOCc1nnc(N(C)C2CC2)n1Cc1ccc(N2CCOCC2)cc1	1297037016	LNSOCXSWTSPWKL-UHFFFAOYSA-N	371.485	2.298	10	10	FECE	
CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCc1cccc(O)c1O	1520508539	FHOXUAQEIWUSOX-LBPRGKRZSA-N	352.456	2.052	10	10	FECE	
COC(=O)CC[C@@H]1CC[C@H](C(=O)Nc2c(Cl)ccc3nonc23)O1	1543805378	DICRMHXWNHKDBT-GZMMTYOYSA-N	353.762	2.316	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3cc(C(F)(F)F)n[nH]3)cc2)CC1	1633252067	GMZUQAUQTHEOBS-UHFFFAOYSA-N	367.375	2.110	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)Cc2ccc(O)c(O)c2)C1	1633158993	LCTDDHVWWXFHKA-CYBMUJFWSA-N	364.442	2.404	10	10	FECE	
O=C(C[C@H]1C[C@H]2CC[C@H]1O2)NCc1ccc(N2CCC(CO)CC2)cc1	1565985578	HGRUSVLAHMNVEA-MISYRCLQSA-N	358.482	2.469	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	1643879156	COSJKZQYZZMAQD-LBPRGKRZSA-N	360.797	2.421	10	10	FECE	
CN1C[C@H](CCNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC1=O	1676117624	JJZFGYXRWXJDMC-QGZVFWFLSA-N	358.486	2.297	10	10	FECE	
COc1ccc(N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1	2131041707	VTHZOZYPWWDNSB-NWDGAFQWSA-N	367.402	2.068	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@@H]1CF	2136240184	JLCYWTGBBBIIHB-OLZOCXBDSA-N	368.405	2.104	10	10	FECE	
CCNCc1ccc(N2CCS(=O)(=O)C[C@@H]2C)cc1Br	233533104	CMSANUSSCFYTBL-NSHDSACASA-N	361.305	2.182	10	10	FECE	
O=C(O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1c1cc(O)c(O)c(O)c1	1951592714	PVYGTFNEEJNWRL-KGLIPLIRSA-N	373.361	2.240	10	10	FECE	
CCCN(C(=O)C=Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1	2040429468	BGWDFLNLVHWTMN-KRWDZBQOSA-N	350.484	2.192	10	10	FECE	
O=S1(=O)CC[C@]2(CCCN2Cc2cccc(Br)c2O)C1	2158457609	OSKOIRRBNYOQHG-CQSZACIVSA-N	360.273	2.308	10	10	FECE	
Nc1ccc(OCC(=O)NC2[C@H]3C[C@H]2CN(Cc2ccccc2)C3)cc1	399644470	NFMWNGALNRVOPX-IRXDYDNUSA-N	351.450	2.284	10	10	FECE	
CC(C)(C)OC(=O)N1CCCC[C@H]2[C@H]1[C@@H]2C(=O)C(=O)C[C@H]1C[C@H](N)C1	2049784447	LUFCXLWSUAYMDX-DFMBRWPFSA-N	350.459	2.288	10	10	FECE	
CC[C@H](CN(C)S(=O)(=O)Cc1ccc(N)cc1)NC(=O)OC(C)(C)C	2053097544	BYERCHHSLNRWEK-OAHLLOKOSA-N	371.503	2.334	10	10	FECE	
C[C@@H]1COC[C@@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)N1C(=O)OC(C)(C)C	2060618874	FLXVSNKPHWTVQZ-UPJWGTAASA-N	353.423	2.312	10	10	FECE	
CN(C[C@@H](O)COc1ccc(N)cc1)CC(C)(C)NC(=O)OC(C)(C)C	2106678778	RLERSFCCFNWRIN-OAHLLOKOSA-N	367.490	2.244	10	10	FECE	
C[C@@H]1CC[C@H](CNC(=O)C(F)(F)F)N(CCOc2ccc(N)cc2)C1	2106750221	ITNFHJUKJONAAW-TZMCWYRMSA-N	359.392	2.427	10	10	FECE	
CC(C)(C)OC(=O)N1CC(c2nc(=NCc3ccc(N)cc3)s[nH]2)C1	2264275730	AZTHSBWLNUWLBS-UHFFFAOYSA-N	361.471	2.489	10	10	FECE	
NC(=O)c1ccccc1COC(=O)C=Cc1ccc(N2CCOCC2)cc1	2297509790	JXBMPVWXCADGTL-UHFFFAOYSA-N	366.417	2.379	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N[C@H](CCO)c1ccco1	2309444392	NXKPGJGXJBDZAJ-GOSISDBHSA-N	356.422	2.369	10	10	FECE	
COc1ccc(N2CCN(CN3C(=O)C[C@@](C)(C(C)C)C3=O)CC2)cc1	172326009	HTAKMMULYAVENH-FQEVSTJZSA-N	359.470	2.196	10	10	FECE	
C[C@H](NCc1cccc([C@]2(C)NC(=O)NC2=O)c1)c1ccc(F)cc1O	185293944	OOVMPZJHVYNYIP-WLRWDXFRSA-N	357.385	2.437	10	10	FECE	
COC(=O)[C@@H](NCCN=[N+]=[N-])c1ccc(I)cc1	381126734	ZYUGLTMPKWYJGK-JTQLQIEISA-N	360.155	2.405	10	10	FECE	
CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCc1ccc(N2CCCC2)cc1	364734126	JDKVFJOOYDLNGM-WAOWUJCRSA-N	357.498	2.436	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCN(C(=O)c2ccoc2)CC1	373480826	NRXDDFBNRTUQIO-ZDUSSCGKSA-N	372.421	2.290	10	10	FECE	
O=C(NCCCSc1nccs1)N1CCO[C@@]2(CCCOC2)C1	806959629	ZZZQIRLWENRPAS-HNNXBMFYSA-N	357.501	2.216	10	10	FECE	
CN(C(=O)CN(C)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)c1ccc(N)cc1	2163022533	ZHCIVOSDROIYHA-HOTGVXAUSA-N	374.485	2.029	10	10	FECE	
Cn1c(C(=O)NCc2ccc(N3CCCC3)cc2)c2n(c1=O)CCCC2	822495357	GXLPDGHKBJWBIF-UHFFFAOYSA-N	354.454	2.053	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3CCn4ccnc43)C2)cc1	823655614	PRBJNLQWSIASJY-RHSMWYFYSA-N	355.442	2.162	10	10	FECE	
O=C1OCCN1C[C@H]1CCN(Cc2cccc(Br)c2O)C1	824451301	RPCIVUFWJRBAJY-NSHDSACASA-N	355.232	2.429	10	10	FECE	
CN1CCN(Cc2cccc(NC(=O)/C=C\c3ccc(O)c(O)c3)c2)CC1	588408073	HHYCYRXYEJSWHD-VURMDHGXSA-N	367.449	2.497	10	10	FECE	
C[C@H](NC(=O)[C@]1(C)C[C@@H](O)CN1C(=O)OC(C)(C)C)c1ccccc1O	913763981	XMPSWJSIGWDTLA-QUJCMNEKSA-N	364.442	2.330	10	10	FECE	
CCc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)no1	740491551	MIESYZCBZDBLJE-OAHLLOKOSA-N	373.409	2.089	10	10	FECE	
COC(=O)c1ccnc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	841407353	BRDGXSJYWSQELW-MRXNPFEDSA-N	370.405	2.395	10	10	FECE	
COC(=O)/C=C/c1ccc(N(C[C@H]2CCC(=O)N2)C(C)C)c([N+](=O)[O-])c1	840387323	OBWPPLZIMNZBHB-VZUFXWRPSA-N	361.398	2.274	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N[C@H]4CCCC[C@H]43)CC2)cc1	854198311	HXVROGHDCJZFPN-OTWHNJEPSA-N	371.481	2.039	10	10	FECE	
O=C(Nc1cccc(CN2CCCS2(=O)=O)c1)c1cc(O)cs1	855211817	SEGGRGXZMJIYHE-UHFFFAOYSA-N	352.437	2.242	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)c3nnc(C)s3)C2)cc1	852252422	GVFYQOMGMVINMI-DGCLKSJQSA-N	361.471	2.494	10	10	FECE	
COC(=O)C1=CC[C@@H](NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)C1	858739942	RBBDVZJDDIFMNC-MRXNPFEDSA-N	373.453	2.179	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CCN(C)c3ccncc3)C2)cc1	855224973	HBPFOTKSFDWALM-INIZCTEOSA-N	354.454	2.312	10	10	FECE	
CCOC(=O)[C@@]1(F)CN(C(=O)/C=C/c2ccc(O)c(O)c2)CC12CCC2	855243096	RGSOQOZRAGSMLJ-XZXOBPBMSA-N	363.385	2.395	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc(-c4nc[nH]n4)cc3)C2)cc1	855227927	RUKAZIJPSWYZAN-INIZCTEOSA-N	363.421	2.489	10	10	FECE	
Cc1cc(CCNC(=O)N[C@@H](C(N)=O)C(C)C)c(C)n1-c1ccccc1	768180992	MTLWFQBNYJVHPF-GOSISDBHSA-N	356.470	2.446	10	10	FECE	
CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1Cc2cccc(O)c2C1	866116898	DSPBSYIBVQGERC-UHFFFAOYSA-N	367.858	2.463	10	10	FECE	
O=C(CNC(=O)N1CCc2ccccc2C1)N1Cc2cccc(O)c2C1	871202471	IEXDWDRPCGSCJG-UHFFFAOYSA-N	351.406	2.002	10	10	FECE	
CCOC[C@H](C)NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	777694936	MHZPWMVVAIARKG-HNNXBMFYSA-N	366.481	2.192	10	10	FECE	
CC(=O)NC[C@@H](C)OC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	774156023	FQMNRPLZQCPMMX-OAHLLOKOSA-N	371.481	2.476	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3Cc4ccccc4[C@H]3O)C2)cc1	895651377	XMQZHPPHRRNAAB-CWFSZBLJSA-N	367.449	2.231	10	10	FECE	
CNS(=O)(=O)c1ccc2c(c1)CCN2Cc1cc(C)cc(OC)c1O	894541611	URBGAMYFNHKPTP-UHFFFAOYSA-N	362.451	2.180	10	10	FECE	
CCN1CC[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	1136284770	BVAHQPSFRPQUIU-INIZCTEOSA-N	371.403	2.252	10	10	FECE	
C[C@@H]1C[C@@H](NC[C@@H]2CCCCN2S(C)(=O)=O)c2c(O)ccc(F)c21	797095690	FMHDUNUZQQKKQY-MBNYWOFBSA-N	356.463	2.483	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(C)(C)CN1CCOCC1	1142419654	TUGJOXCUVCHOJS-QGZVFWFLSA-N	361.530	2.467	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1	1142357990	BBMWRGPUZAYHOT-KGLIPLIRSA-N	364.442	2.450	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCCS(=O)(=O)C1CC1	1230103693	NWMJBJLOQHLTDX-UHFFFAOYSA-N	365.499	2.005	10	10	FECE	
COC(=O)c1c(CN[C@@H](CCO)CSC)c2cc(F)ccc2n1C	1331566968	RQMJRWMSIPCZSM-LBPRGKRZSA-N	354.447	2.308	10	10	FECE	
C[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1cncs1	1332871687	OBBYMYRMSLUKRT-ZDUSSCGKSA-N	356.451	2.013	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2C[C@H]2c2ccccc2)cc1F	1332212029	XTJRTOOPMMAKHD-IRXDYDNUSA-N	369.440	2.428	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1Cc2cccnc2C1	1263844806	QDTGNEXFCYEBQW-MRXNPFEDSA-N	354.406	2.094	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@H](OC2CCC2)CC1	1351956795	SSPGQBKFSHORST-KRWDZBQOSA-N	360.454	2.301	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCCSC	1447345229	GMMJOCPZHKHADS-ZDUSSCGKSA-N	355.456	2.222	10	10	FECE	
CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(O)c3O)c2C)C1=O	1449397258	DPJBOULVAJHRNB-UHFFFAOYSA-N	369.377	2.447	10	10	FECE	
COC(=O)C[C@@](C)(NC(=O)Cc1ccc(O)c(O)c1)c1cccc(OC)c1	1628947934	ITBZFRIHNLGDNU-HXUWFJFHSA-N	373.405	2.244	10	10	FECE	
Cn1nccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1O	2124155521	PFWZCQXOAUTHCO-HNNXBMFYSA-N	360.414	2.008	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@H](CC(=O)NCCc2ccc(O)c(O)c2)C1	2124180291	LBEJCKJCELJQIX-HDJSIYSDSA-N	364.442	2.450	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1ccc2c(c1[N+](=O)[O-])OCCCO2	1639292748	OYVNKWFQSVJVTE-UHFFFAOYSA-N	360.322	2.097	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1	1647290761	RFGWZRMPOUBMPI-SNVBAGLBSA-N	362.332	2.045	10	10	FECE	
COc1ccccc1-c1nnc(CC(=O)NCc2cc(O)ccc2O)o1	1651225575	PJNLSKXEDUDFCT-UHFFFAOYSA-N	355.350	2.015	10	10	FECE	
Cn1ncc(CNC(=O)OC(C)(C)C)c1NC(=O)c1ccc(O)c(O)c1	2126441918	UWIQKGKUHZMXBV-UHFFFAOYSA-N	362.386	2.108	10	10	FECE	
O=C(N[C@@H]1CCN(C(=O)OCc2ccccc2)C1)c1ccc(O)c(O)c1	1982317584	RNZBBRKREZHWGO-OAHLLOKOSA-N	356.378	2.239	10	10	FECE	
CN(C(=O)OCc1ccccc1)C1CN(C(=O)COc2ccc(N)cc2)C1	1999440398	FLTMMQBJJQOAEW-UHFFFAOYSA-N	369.421	2.127	10	10	FECE	
Nc1ccc(CCC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1	312018439	KMLSQZSRTVAXHP-HXUWFJFHSA-N	353.466	2.219	10	10	FECE	
CCNCc1ccc(N(C)[C@@H](C)CS(C)(=O)=O)c(Br)c1	688567723	BVLHWNVBNRDRMV-NSHDSACASA-N	363.321	2.428	10	10	FECE	
COC[C@@]1(C(=O)NCc2ccccc2O)CCCN1C(=O)OC(C)(C)C	830526985	UOBTWLAVZNLUHZ-LJQANCHMSA-N	364.442	2.425	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CCC[C@H]2C[C@@H]21	2049782824	NLYKZBVUHTVMEA-HLLJILBFSA-N	350.459	2.336	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@]1(C(=O)N2CCC[C@H]2CN=[N+]=[N-])CCOC1	2060633876	SODTXRCFLOGNGV-BLLLJJGKSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(OCC(=O)NCC2(CN=[N+]=[N-])CC2)C1	2060636208	VNZBSWNQMTZLFN-UHFFFAOYSA-N	353.423	2.219	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CN[C@@H]1CCC[C@H](O)[C@@H]1O	2224346740	BMHZGZFRWBLIQO-NTZNESFSSA-N	350.640	2.172	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1	2288282602	ZXWIWGNLPCUSJR-LRDNONRASA-N	374.485	2.442	10	10	FECE	
C[C@@H](OC(=O)CCn1c2c(c3ccccc31)CCCC2)[C@@H]1NC(=O)NC1=O	1848815702	FYMAYUKRHFZSKZ-XIKOKIGWSA-N	369.421	2.050	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cc3cn(C)c4ncccc34)CC2)cc1	65155984	NMQXOQJGFWUXBG-UHFFFAOYSA-N	364.449	2.473	10	10	FECE	
O=C(NN1C(=O)/C(=C\c2cccnc2)SC1=S)c1ccccc1O	210521833	LGJGTDSESBTCTG-MDWZMJQESA-N	357.416	2.333	10	10	FECE	
O=C1Cc2cc(S(=O)(=O)NCc3ccc(N4CCCC4)cc3)ccc2N1	49740454	VQOIUJOUBXDZTK-UHFFFAOYSA-N	371.462	2.260	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NCc1cc(F)ccc1O	380867093	ZGGOPDJYMZLZBU-UKMLZYKCSA-N	352.406	2.302	10	10	FECE	
COc1cccc(CN2CCN(Cc3nccn3C(F)F)CC2)c1O	92614547	ABVSLYOYEZDMRW-UHFFFAOYSA-N	352.385	2.310	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC[C@H](CCC(N)=O)C2)c([N+](=O)[O-])c1	255438205	ICXMDVQEMLHPBZ-DEBLGDTFSA-N	361.398	2.263	10	10	FECE	
C[C@H]1COCC[C@@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	277630756	XVFNIOIELFJEHN-GUYCJALGSA-N	365.449	2.011	10	10	FECE	
CC(C)[C@H](C)CNC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	807271721	KLYFEADSNVNQJE-WBVHZDCISA-N	362.470	2.308	10	10	FECE	
CCn1nc(C)c(CNCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1	824037726	ZCFJPMINMIPVDV-UHFFFAOYSA-N	368.529	2.428	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NCCN=c2cc[nH]cc2)cc1F	731405369	ZCFCHSHJRQXBCV-UHFFFAOYSA-N	359.449	2.400	10	10	FECE	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N[C@@H]1C[C@H]1C1CC1	838577099	ZOSMYUTZYMSFLQ-XJKSGUPXSA-N	351.397	2.399	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@]2(C1)CC2(F)F	844912650	IQNWQXYBWOLSAO-QGZVFWFLSA-N	351.397	2.464	10	10	FECE	
CCc1ccncc1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C	845852237	FPJKTCOUSBRGID-UHFFFAOYSA-N	352.438	2.281	10	10	FECE	
CC[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1C)[C@H]1CCCCO1	848933689	FMCHQKIZKFSQCB-QZTJIDSGSA-N	361.486	2.141	10	10	FECE	
CC1(COC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)COC1	744474315	QQEALVHBIRVCPX-UHFFFAOYSA-N	351.358	2.238	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCC[C@@H](N(C)C)C3)C2)cc1	852223799	SCCYMRDACQQFFO-XYJFISCASA-N	360.502	2.446	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccnc2c1CC(=O)N2	854947792	GOBQVKLLBWIIJN-CYBMUJFWSA-N	352.438	2.312	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H]2COC[C@H]2C1	850653596	QXNWOGHXALFOBL-IAGOWNOFSA-N	360.454	2.016	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)cc1	855229384	JOMZLUQHSRDVIA-ZIAGYGMSSA-N	363.458	2.303	10	10	FECE	
CCc1noc(C[C@@]2(O)CCCN(Cc3ccc(N(C)C)c(F)c3)C2)n1	856595684	HTYAIHLZICZLGS-IBGZPJMESA-N	362.449	2.407	10	10	FECE	
C[C@@H]1CN(C(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)C[C@H]1CN	868354482	GPADHZOOHABCGJ-NVXWUHKLSA-N	373.497	2.107	10	10	FECE	
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(N2CCOCC2)cc1	762063985	KVKVAWSBXKUXRF-CYBMUJFWSA-N	356.382	2.317	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H]2[C@@H](CCN2C)C1	867529411	HSIKZBDHGOOIDZ-WMZOPIPTSA-N	373.497	2.074	10	10	FECE	
Cc1ccc(O)c(CNC(=O)C(=O)Nc2ncn(C3CCCCC3)n2)c1	862026138	WZSAWMSSWMQQJT-UHFFFAOYSA-N	357.414	2.052	10	10	FECE	
COc1ccc([C@H]2CCN(C(=O)C(=O)Nc3ccc(N)cc3)C2)cc1F	861545316	WFAZAIPFYDWXNI-ZDUSSCGKSA-N	357.385	2.371	10	10	FECE	
Cc1nn(CC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c(=O)o1	878486703	HOMOAOBGUMXUKP-UHFFFAOYSA-N	358.442	2.230	10	10	FECE	
O=C(O)c1cc(NS(=O)(=O)c2cnccc2C(F)(F)F)ccc1O	785486123	GSLRRCQTWXLSBT-UHFFFAOYSA-N	362.285	2.305	10	10	FECE	
COC(=O)[C@@H]1[C@H](CN(Cc2ccccc2O)C[C@@H]2CCCO2)C1(F)F	893879793	JKGFMNOHPDZXPP-DZKIICNBSA-N	355.381	2.428	10	10	FECE	
COc1ccc(N2CCN(CCNCc3cnc(F)cc3C)CC2)cc1	892703285	HFGHEMKYOCIAHT-UHFFFAOYSA-N	358.461	2.450	10	10	FECE	
C[C@H]1COCCN1CCn1c(C2CC2)nnc1N(C)Cc1ccccc1O	1305233827	GEJVSYSERYOGMH-HNNXBMFYSA-N	371.485	2.218	10	10	FECE	
Cc1ccc(C(=O)N2CC(C)(c3nnc(C4CCOCC4)o3)C2)c(O)c1O	1330608740	KPQWWDMXBUJTHT-UHFFFAOYSA-N	373.409	2.097	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CCc3nc4cccnc4[nH]3)C2)cc1	1261747956	DCAJHFWVLYAELA-AWEZNQCLSA-N	365.437	2.294	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCN(Cc2cccc(Cl)c2)C(=O)C1	1466069472	SFPWLWLQGKSONZ-UHFFFAOYSA-N	374.824	2.165	10	10	FECE	
Cn1cnc2ccc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)nc21	1466290035	NLZKKYHMUKPRLP-HNNXBMFYSA-N	366.421	2.495	10	10	FECE	
Cc1cccc(CS(=O)(=O)CCC(=O)NCc2ccc(O)cc2O)c1	1469161320	XZDZSEFPNBOMGC-UHFFFAOYSA-N	363.435	2.028	10	10	FECE	
COCCOc1cc(C(=O)NCc2ccc3cccnc3c2O)ccn1	1557123035	NKHHWJLYMWBKNO-UHFFFAOYSA-N	353.378	2.291	10	10	FECE	
COC(=O)c1ccoc1CN1CCN(c2ccc(OC)cc2OC)CC1	1648084307	OLEBPZGQXADPJR-UHFFFAOYSA-N	360.410	2.406	10	10	FECE	
Nc1nnc([C@@H]2CCCN(C(=O)c3cc4cc(O)c(O)cc4s3)C2)o1	1647883145	HJPVBWKPGJSJAY-MRVPVSSYSA-N	360.395	2.298	10	10	FECE	
CC(C)[C@H](C(=O)O)N1C(=O)/C(=C2\C(=O)Nc3ccccc32)SC1=S	1774338	IVAGRMBXBDRWGL-KPMWUXBGSA-N	362.432	2.319	10	10	FECE	
CCOc1cccc(CN[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1O	2032626120	YXSCEDAIVPGXON-ZIAGYGMSSA-N	352.431	2.173	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@@H]1CN=[N+]=[N-])[C@@H]1CCOC1	2060621514	OLFSFOJNOKCKKD-JHJVBQTASA-N	353.423	2.218	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@H]1C[C@@H]2OCC[C@H]2N1C(=O)OC(C)(C)C	2060611234	QWKOPJYJCADKCZ-AGIUHOORSA-N	353.423	2.312	10	10	FECE	
Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCCN=[N+]=[N-])cn1	2060635401	LPDKDZQHVOVDIU-GFCCVEGCSA-N	351.411	2.193	10	10	FECE	
CN1CCc2cc([C@H](N)[C@](O)(CNC(=O)OC(C)(C)C)C3CC3)ccc21	2106849114	QXNVQWFZGSLJHP-PXNSSMCTSA-N	361.486	2.345	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCCN2C)C1(O)CN(C(=O)OC(C)(C)C)C1	2106948408	PYNVYDZAWQAMNW-QGZVFWFLSA-N	361.486	2.311	10	10	FECE	
CCS(=O)(=O)C[C@H](C)N(C)c1ccc(CO)c(Br)c1	2114146113	VLHIXHHREMWZNK-JTQLQIEISA-N	350.278	2.201	10	10	FECE	
COC(=O)[C@@H](CNC(=O)OC(C)(C)C)NCc1cnc(SC)s1	2243768440	KOGRBQORWPQGLQ-SNVBAGLBSA-N	361.489	2.021	10	10	FECE	
CC(C)(C)OC(=O)N1CCOCC[C@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2257615936	NQZIZKIEGFVTLN-STQMWFEESA-N	353.423	2.314	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N1CCN(C(=O)C2CCCCC2)CC1	2307996516	LRCNXLMZYDCRDV-UHFFFAOYSA-N	358.438	2.362	10	10	FECE	
Cc1ccc(CNS(=O)(=O)N(C)C(C)C)c(O)c1Br	2352645756	MXRNYSCYUCQMMU-UHFFFAOYSA-N	351.266	2.138	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@H](n2cncn2)C1	173993644	FUZLRKSXNYDEIY-SFHVURJKSA-N	354.458	2.425	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC[C@H](Cn3ccnn3)C2)c([N+](=O)[O-])c1	128554142	MKOVEIKVCUNFJM-ZKKXHLJNSA-N	371.397	2.289	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1OC	41379726	CTAWNEOAKKRXNL-UHFFFAOYSA-N	370.405	2.395	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2[C@H]3COC[C@H]2C3)C1	425299605	SCIOZUZZKLXTGK-HZPDHXFCSA-N	353.466	2.408	10	10	FECE	
O=C(Cc1ccc(N2CCCC2=O)cc1)NCCc1ccc(O)c(O)c1	96968150	MZBDWXQZUGMZKJ-UHFFFAOYSA-N	354.406	2.126	10	10	FECE	
CCCCNC(=O)c1ccnc(N2CCN(c3ccc(OC)cc3)CC2)n1	242763149	DNOIFXZRXCMTRU-UHFFFAOYSA-N	369.469	2.342	10	10	FECE	
CNC(=O)C[C@@H](C)NC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	456499127	HAUPGFVRNFPKQY-OAHLLOKOSA-N	370.497	2.049	10	10	FECE	
Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1Cc1cc(F)ccc1O	361065711	IANDFMORQDVDPL-SFHVURJKSA-N	354.385	2.161	10	10	FECE	
C[C@@H]1CCN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c2ccccc2S1	809958398	VTMJRZUDHQWYLP-MMQHEFTJSA-N	371.462	2.015	10	10	FECE	
CC(C)(C)OC(=O)NCC=CCNC(=O)c1ccn(-c2ccc(N)cc2)n1	2162519087	APXLNRQDTRDENR-UHFFFAOYSA-N	371.441	2.265	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)c3ccc(NC(C)=O)cn3)C2)cc1	819586312	MZLKCAZALBUDTB-HNNXBMFYSA-N	368.437	2.305	10	10	FECE	
O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc2c(c1)CCN2	827631466	OCQVZVUVHGDTRQ-UHFFFAOYSA-N	371.462	2.142	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@H](Cn3ccnn3)C2)cc1	824674605	NORPHIVSYSLSCP-LJQANCHMSA-N	365.437	2.227	10	10	FECE	
CC[C@@]1(C)NC(=O)N(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1=O	834789498	IMBOOTSGJDIQHZ-HXUWFJFHSA-N	368.437	2.388	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCCCc3c[nH]nc3C)C2)cc1	849224354	DKUUUPDQAKXCPA-INIZCTEOSA-N	357.458	2.237	10	10	FECE	
O=S(=O)(NCc1ccccc1O)c1cc2c(cc1Cl)OCCO2	751151708	VJAFABDMCYDFJQ-UHFFFAOYSA-N	355.799	2.295	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCC(CO[C@@H]3CCNC3)CC2)cc1	861549918	UTSWWGLDRCKUNH-LJQANCHMSA-N	360.502	2.053	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@H](O)[C@@H]1CCCO1	862656143	ZCVUAZFZUMSGCV-OALUTQOASA-N	356.422	2.176	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cncc2ncn(C)c12	864634014	GWFUMDALYFUYSL-UHFFFAOYSA-N	365.437	2.077	10	10	FECE	
CCc1cnccc1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	776229697	ACJZLCUBQUCTMZ-QGZVFWFLSA-N	366.465	2.276	10	10	FECE	
COC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)/C(C)=C/c1cccnc1	1129405294	XHCTXQJYSPDLDY-XYOKQWHBSA-N	351.362	2.257	10	10	FECE	
Cc1cc(C(=O)COC(=O)C2COC2)c(C)n1-c1ccc2c(c1)OCCO2	785771873	CFPSAOBAHGULEB-UHFFFAOYSA-N	371.389	2.238	10	10	FECE	
COC(=O)c1c(CNCCCO[C@H]2CCOC2)c2cc(F)ccc2n1C	894331301	DWHYKNZYIFTADT-AWEZNQCLSA-N	364.417	2.389	10	10	FECE	
COC(=O)[C@@H]1[C@H](CN[C@H](C)c2ccc(N3CCOCC3)cc2)C1(F)F	894208781	LNSJKAUMTBNFKD-KCXAZCMYSA-N	354.397	2.228	10	10	FECE	
O=C(CCCCN1C(=O)c2ccccc2C1=O)NCc1cccc(O)c1O	1176565615	LZNJKXFKJQYCHL-UHFFFAOYSA-N	368.389	2.181	10	10	FECE	
COCCn1cc(CNCc2c(C(=O)OC)n(C)c3ccc(F)cc23)cn1	1262111994	WKERQDPNJJHWRT-UHFFFAOYSA-N	374.416	2.237	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)C1CC1	1295871861	RUKRYQVRHSLLEB-ZDUSSCGKSA-N	350.415	2.060	10	10	FECE	
CC(C)(C)OC(=O)N=c1cc[nH]cc1C(=O)NCc1ccc(O)cc1O	1469160468	RXSIIJOGMMQZRT-UHFFFAOYSA-N	359.382	2.192	10	10	FECE	
CC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)NCc1cccs1	1627482751	CLOYPQRHILMAGE-OWNNVSBGSA-N	360.435	2.384	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCCN=[N+]=[N-])C[C@H]2COCC[C@@H]21	2124537830	CDWPBPCFKOAUMA-RDBSUJKOSA-N	367.450	2.465	10	10	FECE	
Cc1cc(CCNC(=O)NC[C@@H](O)[C@@H]2CCCO2)c(C)n1-c1ccccc1	1683148707	CJIIWVQMRNSQOR-UXHICEINSA-N	371.481	2.476	10	10	FECE	
C[C@@H]1CN(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)C[C@@H](C)O1	161756806	VUPWLZZHDSTBRW-HUUCEWRRSA-N	368.499	2.491	10	10	FECE	
Cc1ccc(O)c(CNCC(=O)N2CCN(c3ccccc3F)CC2)c1	1857867982	LQVADPLJIIRNDM-UHFFFAOYSA-N	357.429	2.278	10	10	FECE	
C[C@H]1CCN(C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1	2136262981	YVDOSKXJFGJUIF-JSGCOSHPSA-N	364.442	2.402	10	10	FECE	
O=C(N[C@@]1(c2ccc(O)c(O)c2O)C[C@H]1C(=O)O)OCc1ccccc1	1952828753	DSNBKTAYBWNKMM-KPZWWZAWSA-N	359.334	2.030	10	10	FECE	
O=S1(=O)C=C[C@H](NCc2cc(Cl)cc(Br)c2O)C1	708175984	BJXDOTFSSUBOOJ-VIFPVBQESA-N	352.637	2.208	10	10	FECE	
C[C@@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cc(O)ccc1O	397399942	GXPQLBYRCUEIMD-TZMCWYRMSA-N	352.431	2.384	10	10	FECE	
COc1ccc([C@@H](C)n2ncc(CN)c2I)c(O)c1	2070398457	STSUBSAJNJLHAX-MRVPVSSYSA-N	373.194	2.270	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C	2180708152	AUZJZYABJVKNNI-OAHLLOKOSA-N	374.441	2.210	10	10	FECE	
Cc1nc(I)cc(=NCc2cccc(C)c2O)[nH]1	2084059091	OJBUXRZCHAIBCI-UHFFFAOYSA-N	355.179	2.438	10	10	FECE	
COCCOCCN(Cc1ccccc1)c1ccc2c(c1)NC(=O)[C@@H]2N	2095880205	XAXDYPXKEXQEGB-LJQANCHMSA-N	355.438	2.308	10	10	FECE	
CCCN(CCS(C)(=O)=O)c1ccc(CO)cc1Br	2113820366	TUKYPVBLUPIBLB-UHFFFAOYSA-N	350.278	2.202	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ccc4c(c3)CCO4)C[C@@H]2[C@H]1CO	2227310279	LBHGLZOGRZPSNV-BHYGNILZSA-N	360.454	2.286	10	10	FECE	
C[C@@H](O)[C@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S	2323827319	TUBVRSSLFPCFRC-KSBSHMNSSA-N	373.839	2.081	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N[C@H]3CCC[C@@H]3N=[N+]=[N-])[C@@H]2C1	2333612868	CYPNQJJYNSGZPQ-PEDHHIEDSA-N	365.434	2.216	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12C[C@H](C1)[C@H](C(=O)N1CC[C@@H](N=[N+]=[N-])C1)CO2	2342995654	LFBIKJNIGACIOC-ZFRZLUBXSA-N	365.434	2.218	10	10	FECE	
NC(=O)[C@H](F)C1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	1350840894	CKXZDMVCDUXLFS-QGZVFWFLSA-N	362.449	2.032	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccc([N+](=O)[O-])s1	174062108	SHYSVGAJTCSBSR-UHFFFAOYSA-N	369.424	2.310	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N1CC[C@@H](CN2CCCC2)C1	255154043	JJUNMFOOIYEPKW-VORVDVFJSA-N	369.509	2.481	10	10	FECE	
O=C(NCc1cccc(Br)c1O)N[C@H]1CCc2nc[nH]c2C1	811950646	JQUFFGJHVWQPGX-JTQLQIEISA-N	365.231	2.235	10	10	FECE	
C[C@@H](NC(=O)N(C)C[C@@H]1CCCN1C)c1ccc(N2CCOCC2)cc1	817156129	GKUGYTFMBGBMMA-APWZRJJASA-N	360.502	2.320	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H]3C3CC3)cc2)C1	728746614	DUULDKKIVFDPIO-PKOBYXMFSA-N	370.497	2.472	10	10	FECE	
Cc1cc(C(=O)COC(=O)[C@H]2CCC(=O)O2)c(C)n1-c1ccc(F)cn1	837586031	OWLQUVPSWVQTTO-OAHLLOKOSA-N	360.341	2.060	10	10	FECE	
CCNC(=O)c1ccc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)nn1	840251443	KJXXFVJUURSVPJ-AWEZNQCLSA-N	355.442	2.236	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CN(C2CC2)C(=O)O1	847454216	HONALIDRIXHLJF-KRWDZBQOSA-N	360.458	2.267	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)CC3CC(F)(F)C3)C2)cc1	849417317	PEARUAMWLXKGLO-CYBMUJFWSA-N	360.426	2.239	10	10	FECE	
COCc1nc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)n(C)n1	853798520	GGOAXJGUPMUMJT-UHFFFAOYSA-N	367.453	2.342	10	10	FECE	
CC(C)(CC(F)F)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	855396423	HNFJTRNGVVTXQV-UHFFFAOYSA-N	374.453	2.219	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cc4c(cc3O)OCO4)C2)cc1	855227930	RUKDQULFFNKKFD-LBPRGKRZSA-N	356.378	2.138	10	10	FECE	
CO[C@@H]1CN2C(=O)N([C@@H](C)Cc3ccc(N(C)C)cc3C)C(=O)[C@]2(C)C1	865311844	KTWLIRJFUHDQHA-VHFSOBRXSA-N	359.470	2.434	10	10	FECE	
CN(Cc1ccccc1[N+](=O)[O-])c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	761877293	WLNHVBNBUSQEAK-UHFFFAOYSA-N	358.310	2.470	10	10	FECE	
C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)NC(=O)NCC(F)(F)F	774482601	GZYYBBQVBQAARZ-GHMZBOCLSA-N	360.380	2.180	10	10	FECE	
CN(CCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccncc1	779498644	IFDCCBZULQHZQY-UHFFFAOYSA-N	372.444	2.200	10	10	FECE	
O=C1C[C@]2(CCN(Cc3c(O)ccc(C(=O)c4ccccc4)c3O)C2)CN1	788383876	NZAFIWNDTLASKL-OAQYLSRUSA-N	366.417	2.041	10	10	FECE	
COC(=O)c1c(CNCC2(C(N)=O)CCCC2)c2cc(F)ccc2n1C	894392699	QFHRMAGBSAGVOM-UHFFFAOYSA-N	361.417	2.239	10	10	FECE	
COC(=O)[C@H]1C[C@@H](O)CN1Cc1ccc2c(c1)CCN2Cc1ccccc1	1308976189	AXRPKBMMJXNMGA-TZIWHRDSSA-N	366.461	2.358	10	10	FECE	
C[C@H](NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)c1ccccc1O	1151892333	NYDMUSGEEZFOCL-NSHDSACASA-N	353.338	2.372	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CN(Cc2ccccc2)CCCO1	1154283256	ARECDICFKIRZOG-GOSISDBHSA-N	370.449	2.048	10	10	FECE	
COc1cccc(CNC(=O)C[S@](=O)c2ccc(Cl)cc2)c1O	1150543994	WQFBAFYBDOPEKV-QHCPKHFHSA-N	353.827	2.478	10	10	FECE	
C[C@H](NC(=O)C(=O)NC[C@@H]1C[C@H]1C(F)(F)F)c1ccc(N(C)C)cc1	1262270416	WIYPDMIDTRMIFK-VHRBIJSZSA-N	357.376	2.244	10	10	FECE	
CCO[C@H]1C[C@H](NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)C1	1261723438	WCIFXKSHVPKVDZ-JCNLHEQBSA-N	372.421	2.198	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3C(F)(F)F)cc2)CC1	1353593393	JEQHIDMTVNPBHT-HUUCEWRRSA-N	369.387	2.203	10	10	FECE	
COc1ccc(N2CCC(NC(=O)c3cnn4c3NC[C@H](C)C4)CC2)cc1	1351121238	GDMIHZSWDVJLRG-AWEZNQCLSA-N	369.469	2.352	10	10	FECE	
C[C@@H]1CC=CC[C@H]1NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1	1351118156	MFAKBDKVMFFNFE-CRAIPNDOSA-N	373.522	2.327	10	10	FECE	
CN(CCO)Cc1cc(NC(=O)Cc2ccc(O)c(O)c2)ccc1Cl	1448218426	LCCRVDMOXZHKPM-UHFFFAOYSA-N	364.829	2.357	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)cc1	1447686980	SJSPCDKGNAELOS-CQSZACIVSA-N	351.366	2.384	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H](O)CCOC(C)C	1615935435	MBOXDWJPFZGERG-HNNXBMFYSA-N	359.850	2.197	10	10	FECE	
CN(C)S(=O)(=O)c1ccc(N2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1	1612800191	XBSZZTPNAKCZQZ-UHFFFAOYSA-N	363.395	2.071	10	10	FECE	
COC(=O)c1cnc(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])s1	1613812486	LWIJWCVPHXTWKU-UHFFFAOYSA-N	353.381	2.229	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1OCCO[C@@H]1C(F)(F)F	1540812103	UYZCGDGDUCTJIJ-CABCVRRESA-N	358.360	2.249	10	10	FECE	
CN1C(=O)/C(=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21	1107461	YZJYXMCITKSSOT-NJERVBSYSA-N	360.460	2.413	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H](C)CN1CCOCC1	1727507644	PVRMBBVTWOLYNX-INIZCTEOSA-N	373.501	2.151	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2124541308	QZJQOVSIJJYTTI-BFHYXJOUSA-N	367.450	2.465	10	10	FECE	
Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1	1566630098	YFLLZRASEREQQR-HNNXBMFYSA-N	370.413	2.168	10	10	FECE	
C[C@H]1CCc2nc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)cn2C1	1643609955	RDXGSICDXHKXAR-INIZCTEOSA-N	367.497	2.147	10	10	FECE	
CC(C)(C)OC(=O)NCC(F)(F)CC(=O)NCc1cccc(O)c1O	1593744654	QRRQAKPSPLTCJB-UHFFFAOYSA-N	360.357	2.264	10	10	FECE	
Cc1ccc([C@@H](C)N=c2nc(CCNC(=O)OC(C)(C)C)[nH][nH]2)c(O)c1	2126783691	LCQOABIQVNBMEC-GFCCVEGCSA-N	361.446	2.481	10	10	FECE	
C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H](CNCCCO)C1	1689112247	COCQHKBBRUUWNO-CJNGLKHVSA-N	361.446	2.062	10	10	FECE	
COC(=O)[C@@H]1CN(C(=O)c2cc(C)n(-c3ccccc3)c2C)C[C@@H](C)O1	157891592	MLTUESBVUNBXJF-KDOFPFPSSA-N	356.422	2.497	10	10	FECE	
COC(=O)[C@@H](CC(C)C)NC(=O)/C=C\c1ccc(N2CCOCC2)cc1	209939130	IBXHNCCWGNEGAC-OTIVFRFGSA-N	360.454	2.240	10	10	FECE	
CCOc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)O)[C@H](C)O)C2=O)cc1	1858592250	KNLLQGNCXQHKRS-QUMQCBJBSA-N	367.448	2.121	10	10	FECE	
C[C@@H](NCc1cc(Br)cc(F)c1O)[C@@H](C)S(C)(=O)=O	1970409928	OXUNFXOQPYOLKW-HTQZYQBOSA-N	354.241	2.205	10	10	FECE	
O=C(OCc1ccccc1)N1CCC(C(=O)O)(c2cc(O)nc(O)c2)CC1	1952609740	XHLRDKDBGZTHGF-UHFFFAOYSA-N	372.377	2.248	10	10	FECE	
CNCc1ccc(N2CCC(S(C)(=O)=O)CC2)cc1Br	312630438	BXNDEZNOCLEMSE-UHFFFAOYSA-N	361.305	2.182	10	10	FECE	
C[C@@H]1[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)CCN1C(=O)OC(C)(C)C	2044252696	HIAISFAOCILZGG-DOMZBBRYSA-N	369.487	2.086	10	10	FECE	
CN(C[C@H](O)CCC(=O)O)c1ccc(CNC(=O)OC(C)(C)C)cc1	2044513643	LHLXLCZURHAOBR-OAHLLOKOSA-N	352.431	2.373	10	10	FECE	
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2060635083	HSUPJBYDSINPSS-WCQYABFASA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](OCCNC(=O)Nc2ccc(N)cc2)C1	2109110287	SLPYMMWFYYRSRU-OAHLLOKOSA-N	364.446	2.416	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(CNCc2cccc(O)c2O)C1	2229487551	WEEGLNJYNMGBJI-KUHUBIRLSA-N	364.442	2.213	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2253542460	BUGMRDHRBWWNOS-YNEHKIRRSA-N	353.423	2.048	10	10	FECE	
COc1cc(OC)c(OC)cc1C=C1SC(N2CCOCC2)=NC1=O	2294407106	DGAOLFQHAMRYOT-UHFFFAOYSA-N	364.423	2.015	10	10	FECE	
CNC(=O)c1cncc(C=CC(=O)N2C[C@H](C)Oc3c(F)cccc32)c1	2309903642	UGAAQYCXAXSDEH-LBPRGKRZSA-N	355.369	2.408	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCc2cc(O)c(O)cc2C1	2341196461	HBWCEACYGGHCHC-MEDUHNTESA-N	362.426	2.238	10	10	FECE	
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(C)C)c(Br)c1	6859238	AKDXTERWONDSOF-CYBMUJFWSA-N	368.231	2.316	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)NC[C@H](C)N3CCOCC3)cc2)CC1	108552214	ZUBUHBYJGUSVBR-SFHVURJKSA-N	374.529	2.443	10	10	FECE	
COc1ccc(N(C)CC(=O)NC(=O)NCCc2cccs2)cc1F	177067548	YGKPJOZJPHEGDC-UHFFFAOYSA-N	365.430	2.401	10	10	FECE	
CCN(CC)[C@@H](C)CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1	79982335	PNLJVYHTXAJNQG-HNNXBMFYSA-N	366.481	2.192	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1nn(C(C)C)cc1C#N	125815737	WSQWXPNAHUWIBZ-UHFFFAOYSA-N	369.425	2.419	10	10	FECE	
CC(=O)N(C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(N)cc1	217286365	OCPHBJHWSDRARZ-QGZVFWFLSA-N	366.421	2.132	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CCc4cc(O)c(O)cc4C3)[C@@H]2C1	2366907756	JSXVVVAJXBRESX-XOIINTDNSA-N	374.437	2.095	10	10	FECE	
CN(C)C1(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CCC1	92643589	PAIOXPDTOSDTBR-UHFFFAOYSA-N	370.541	2.319	10	10	FECE	
COc1ccc(N2CCN(c3ccnc(NCCCN(C)C)n3)CC2)cc1	242776446	DUWBEIKFXKAATN-UHFFFAOYSA-N	370.501	2.175	10	10	FECE	
C[C@H](NCc1cccc(N2CCOCC2)n1)c1cc([N+](=O)[O-])ccc1O	274730158	BPQFOUBGLCIXQX-ZDUSSCGKSA-N	358.398	2.383	10	10	FECE	
Cc1cc(CS(=O)(=O)NCc2cccc(Br)c2O)no1	277418316	ACXXKGDYRVJZMT-UHFFFAOYSA-N	361.217	2.071	10	10	FECE	
C[C@@H](N[C@H]1CCC(=O)N(C)C1=O)c1cc(Br)cc(F)c1O	818362045	OSNLOVNVMBSFOE-HQJQHLMTSA-N	359.195	2.092	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)NC2COCCOC2)CCCC1	650049479	ZUMKWWOENBZEOL-UHFFFAOYSA-N	358.438	2.060	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)N[C@@H](C)c3ccsc3)C2)cc1	827714361	BTEUFVIGRBNVKC-DZGCQCFKSA-N	373.478	2.329	10	10	FECE	
CCc1nc(CN2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)cs1	588408071	GXWXBYKJOFFVTP-XQRVVYSFSA-N	373.478	2.474	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)c1coc2c1C(=O)NCCC2	906110802	HROTYJWTRPBPAB-UHFFFAOYSA-N	353.422	2.486	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)[C@@H]1CCN2CCO[C@H]1C2	840485567	UTBPTMPMXNTKKI-DBVUQKKJSA-N	374.529	2.107	10	10	FECE	
C[C@@H]1C[C@@H](N[C@H]2CCN(c3ccc4nncn4n3)C2)c2c(O)ccc(F)c21	858488677	JUQZPSWVBLFHMO-MBNYWOFBSA-N	368.416	2.386	10	10	FECE	
C[C@H](NC(=O)N1CCCS(=O)(=O)C[C@H]1C)c1ccc(N(C)C)cc1	922053108	CAGAVAYRRFPLAC-KGLIPLIRSA-N	353.488	2.032	10	10	FECE	
C[S@](=O)(=NS(=O)(=O)NCc1c(O)cccc1F)C1CCCCC1	921450548	AOQKPBBQGHXGKG-JOCHJYFZSA-N	364.464	2.296	10	10	FECE	
CN1CCCc2cc(CNC(=O)N[C@H]3CCCCC[C@H]3C(N)=O)ccc21	757668199	VSEYRSGWAMJHKF-SJORKVTESA-N	358.486	2.302	10	10	FECE	
Cc1nc(C)c(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)[nH]1	857168318	CIJBZHLQYIOMCP-UHFFFAOYSA-N	367.497	2.489	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N(C)[C@H]3CCN(C4CC4)C3)C2)cc1	854302334	ZEEBQBKLMOERRC-QAPCUYQASA-N	358.486	2.152	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H]3CCN(C(C)C)C3)C2)cc1	854297229	KYDYMSZPAOKZRB-FUHWJXTLSA-N	360.502	2.398	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@H]3CCNC34CCC4)CC2)cc1	861662047	MEUDFBJKQDRQGV-SFHVURJKSA-N	358.486	2.202	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)C[C@@H]3CCOC[C@H]3OC)CC2)cc1	1117755669	XEMTTZZMWAYAEM-QFBILLFUSA-N	362.470	2.176	10	10	FECE	
O=C1O[C@@H]2CNC[C@@H]2N1[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1	872254462	DROOFFJSKDIJRR-SLFFLAALSA-N	370.497	2.044	10	10	FECE	
O=C(COC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(O)c(O)c1	783861863	NRTVPZSXSXUTOA-KGLIPLIRSA-N	370.357	2.399	10	10	FECE	
C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc2cc(O)c(O)cc2s1	897494929	UGILDFPUNLBRSF-LLVKDONJSA-N	364.467	2.230	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc(CO)cc3OC)CC2)cc1	899940110	GMXSDOOWFUQDET-UHFFFAOYSA-N	356.422	2.159	10	10	FECE	
Cc1cc(C)cc(-n2c(C)cc(C(=O)Cn3cc(C(N)=O)nn3)c2C)c1	1307322364	JODBACCMYVMOSZ-UHFFFAOYSA-N	351.410	2.284	10	10	FECE	
C[C@H](NC(=O)C(=O)NC[C@]12C[C@H]1COC21CCC1)c1ccc(N(C)C)cc1	1332947795	GFWMODLYIQLEQX-DKICVRJWSA-N	371.481	2.005	10	10	FECE	
COC(=O)c1c(CNCC[C@]2(O)CCCOC2)c2cc(F)ccc2n1C	1333720060	UIXVKBROQVLGOL-LJQANCHMSA-N	364.417	2.125	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)[C@H]2CC(c3ccccn3)=NO2)cc1	1278288096	FZAINUQNCSOYAG-LJQANCHMSA-N	368.437	2.178	10	10	FECE	
CN(C(=O)/C=C/c1ccc(O)c(O)c1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12	1350992816	RVGCYSVGLLSRND-BUCSUVJKSA-N	374.437	2.435	10	10	FECE	
COC(=O)c1cc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)n(C)n1	1351672115	CODJQONCENPLJH-UHFFFAOYSA-N	356.426	2.079	10	10	FECE	
C[C@H](NC[C@@H]1C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(O)cc1O	2116204662	DFWZAHXGBQRYOM-VGWHQZGPSA-N	366.458	2.413	10	10	FECE	
COC[C@@H]1COCCN1C(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2	1462959438	JLFOMZLQBUPZBD-OAHLLOKOSA-N	372.465	2.403	10	10	FECE	
O=C(CNC(=O)c1cccc(F)c1)NCc1ccc2cccnc2c1O	1469250029	GVGUFKORCGJUSU-UHFFFAOYSA-N	353.353	2.126	10	10	FECE	
CC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(O)cc2O)c1	1463912814	QJNCSPOEQHSHLT-UHFFFAOYSA-N	355.799	2.432	10	10	FECE	
CCS(=O)(=O)Nc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1C	1542160060	FOCVFOSENJCLMW-UHFFFAOYSA-N	364.423	2.349	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CC[C@@H](C(N)=O)C1	1545508874	QMJOEOAXJFEMRN-MNOVXSKESA-N	369.259	2.405	10	10	FECE	
CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NCc1ccc(O)cc1O	1639440939	CGWOZJQCYLFIKL-SFHVURJKSA-N	371.437	2.238	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H]1OCC[C@H]1CNC(=O)OC(C)(C)C	2124031676	UGLCYLWRVKUXDD-BBRMVZONSA-N	364.442	2.280	10	10	FECE	
Cc1ncc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1C	1566357121	XAWJIWWNTDIURU-OAHLLOKOSA-N	362.861	2.482	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(F)cc2nn[nH]c12	1643245998	ZHSSYHRPGPLLOD-UHFFFAOYSA-N	372.356	2.008	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(C(=O)N3CCC[C@H](N=[N+]=[N-])C3)(CO1)C2	2124543420	REHSZBSUXFQGLP-CDEQTRAXSA-N	365.434	2.362	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2124539708	YMJGTWVJILXSKY-HZSPNIEDSA-N	367.450	2.465	10	10	FECE	
Cn1nc(Br)c2c(NCc3c(O)cccc3O)ncnc21	1652267700	UCCXOEKCXAXZAM-UHFFFAOYSA-N	350.176	2.149	10	10	FECE	
O=C(NN1C(=O)/C(=C\c2ccncc2)SC1=S)c1ccc(O)cc1	5903736	ILWSNPDFWBHNRH-UKTHLTGXSA-N	357.416	2.333	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)=C[C@@H]1O	2131475712	KAPFQSVDORYNHI-BNOWGMLFSA-N	365.434	2.120	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(NCc3cccc(F)c3O)(CO1)C2	1922661136	CLOGWXJDCFNRRQ-UHFFFAOYSA-N	352.406	2.447	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(Cc2c(O)cccc2F)C1	2136385339	AINUFCBNUBZKEW-SMDDNHRTSA-N	368.405	2.474	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NCc1ccc(F)c(F)c1O	2031539566	MPZBDZWPHPVVBX-OLZOCXBDSA-N	358.385	2.442	10	10	FECE	
CO[C@@]1(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)CCN(C(=O)OC(C)(C)C)C1	2060616685	DPSIMNPEYIQOCF-LRDDRELGSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2060637460	LGQIMYVYPCKFAB-OLZOCXBDSA-N	353.423	2.048	10	10	FECE	
COC[C@](C)(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2060633743	RAMRQCRHTUPBGH-LRDDRELGSA-N	355.439	2.465	10	10	FECE	
CCOC1(C(=O)NCC2(CN=[N+]=[N-])CC2)CN(C(=O)OC(C)(C)C)C1	2060616265	YWPZJZCGYGVAHN-UHFFFAOYSA-N	353.423	2.219	10	10	FECE	
COc1ccc(N2C[C@@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)cc1OC	2219641902	YENOXOYEVNQEHS-KGLIPLIRSA-N	352.431	2.168	10	10	FECE	
O=C(NN1C(=O)C(=Cc2ccc(O)c(O)c2)SC1=S)c1cccnc1	2296880015	QDXXNRJLFBPVRH-UHFFFAOYSA-N	373.415	2.039	10	10	FECE	
CC(=C1SC(=S)N(CCS(=O)(=O)O)C1=O)c1ccc(F)cc1	2297478184	FRJHHBQTGXYQFF-UHFFFAOYSA-N	361.441	2.305	10	10	FECE	
COc1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])o3)C(=O)NC2=S)c1	6009449	BJJOUOCRTUVMGB-WQLSENKSSA-N	373.346	2.028	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)c2ccc(=O)[nH]c2)N2CCCCC2)cc1	62370885	KZHMRIWUORETGT-IBGZPJMESA-N	368.481	2.398	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN(C)Cc3nc(C)cs3)nc12	118406657	KUIPZYDGUILCMW-UHFFFAOYSA-N	361.427	2.009	10	10	FECE	
Nc1cc(N)c(S(=O)(=O)O)cc1/N=N/c1ccc([N+](=O)[O-])cc1O	68601099	YQKUFJMEYRGFTP-FOCLMDBBSA-N	353.316	2.127	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H](C)c3cn(C)nc3C)CC2)cc1	69339500	JWBDTZIBTBECGE-CQSZACIVSA-N	357.458	2.330	10	10	FECE	
COC(=O)c1coc(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1	184615636	FPOMVOZPTQVSCB-UHFFFAOYSA-N	358.394	2.474	10	10	FECE	
O=C(/C=C/c1ccccc1F)NCc1ccc(N2CCNC(=O)C2)cc1	46718305	WRUZRGDCXNENLX-JXMROGBWSA-N	353.397	2.092	10	10	FECE	
Cc1noc([C@@H]2CCCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C2)n1	91454945	QQAVVJIQRSNSRL-SNVBAGLBSA-N	359.342	2.001	10	10	FECE	
O=C(C[C@@H]1CCCS(=O)(=O)C1)NCc1c(O)ccc2c1CCCC2	293718641	OBXZBNCLJUXDPD-ZDUSSCGKSA-N	351.468	2.102	10	10	FECE	
C[C@H](NC(=O)N[C@H](C)C1(S(C)(=O)=O)CC1)c1ccc(N(C)C)cc1	805308234	CSDQBYMXJFARGJ-QWHCGFSZSA-N	353.488	2.079	10	10	FECE	
CCN1CC[C@H]2OCCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)[C@H]2C1	293879436	KYOQXRHNGXMFGN-RBUKOAKNSA-N	368.481	2.424	10	10	FECE	
COC1CCN(c2ccc(CN3CCS(=O)(=O)C(C)(C)C3)cc2)CC1	296797336	ORRXJIVPYVOKSG-UHFFFAOYSA-N	366.527	2.311	10	10	FECE	
Nc1ccc(OCCCOn2c(=O)c(=O)oc3ccc(Cl)cc32)cc1	821297106	MJRMTGBDBRWOQL-UHFFFAOYSA-N	362.769	2.088	10	10	FECE	
Nc1c(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cnn1C1CC1	907102849	AMSPPKQOYGJGLL-HNNXBMFYSA-N	356.426	2.327	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1c2n(c(=O)n1C)CCCC2	839920448	AHUNLGUJBVRAMV-OAHLLOKOSA-N	370.497	2.259	10	10	FECE	
CN1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742803983	RUMLQPSLGYXNSJ-BBRMVZONSA-N	353.413	2.467	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@]12C[C@H]3C[C@H](C(=O)N1)[C@H]2C3	844579378	BOQPVHWKUCEPFW-ZVTJGGGRSA-N	355.482	2.023	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NC[C@@H]2CN(C)CCN2C)c1O	848528205	KJWGFHLBPQAQEZ-DGCLKSJQSA-N	372.307	2.060	10	10	FECE	
CN(C(=O)NCCc1ccc(N)cc1)C1CCN(CC(F)(F)F)CC1	841955647	IZFSDMUYRJDFCA-UHFFFAOYSA-N	358.408	2.479	10	10	FECE	
CCn1cccc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1=O	841728003	ADXKNWWARLRYOD-UHFFFAOYSA-N	356.426	2.231	10	10	FECE	
COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	855230240	DNLGALSZIMGUGH-XHSDSOJGSA-N	360.454	2.370	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)C(=O)N(C)OC)c2C)cc1	863623394	BBUYHECXIBADKI-ZDUSSCGKSA-N	359.426	2.241	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)NCCn3cnccc3=O)c2C)cc1	869110654	MINXYGIWKFPGCW-UHFFFAOYSA-N	366.421	2.089	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2C[C@@H](C(=O)OC)O[C@H](C)C2)c1O	863306602	FOMJICMTCKJHJR-PXAZEXFGSA-N	373.405	2.094	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC[C@@H](O)CC(C)(C)O)cc2F)C[C@@H](C)O1	872201094	OCQJRBLQMCCZQE-FMKPAKJESA-N	354.466	2.051	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3[C@@H]4CCCO[C@H]43)cc2F)C[C@@H](C)O1	779858315	YMWWKHPHRZSKCM-XFJQVIQYSA-N	362.445	2.481	10	10	FECE	
COC12CCC(C(=O)N3CCOc4cc(N(C)C)ccc43)(CC1)C(=O)C2	1123631915	HLQXAPSNPKOUSN-UHFFFAOYSA-N	358.438	2.396	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1ncn(Cc2cccc(F)c2)n1	781812382	KBYSHAVQCGEWSD-ALCCZGGFSA-N	368.368	2.206	10	10	FECE	
COC(=O)c1c(CN[C@@H]2CCc3n[nH]cc3C2)c2cc(F)ccc2n1C	894285206	RZLLEJYGVFOMIC-CYBMUJFWSA-N	356.401	2.474	10	10	FECE	
O=C(NC1CCN(C(=O)C2CC2)CC1)c1cc2cc(O)c(O)cc2s1	895605324	SBFGBQVLMWJHBL-UHFFFAOYSA-N	360.435	2.443	10	10	FECE	
COc1cccc(O)c1CN1CCOC2(C1)CN(C(=O)OC(C)(C)C)C2	1325023275	MUJGRPBDRUKDQP-UHFFFAOYSA-N	364.442	2.223	10	10	FECE	
O=C(CN1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1)c1ccc(O)c(O)c1	705606964	WZGQNFNUBJUZRB-ROUUACIJSA-N	352.434	2.344	10	10	FECE	
COc1ccc(CNCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc1C	1327212665	HWNSXFWCVJUPKL-HXUWFJFHSA-N	353.422	2.348	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(C(F)F)ncn1	1333008184	DDYJSDXLEKNLRY-UHFFFAOYSA-N	366.343	2.320	10	10	FECE	
COc1ccc(CN[C@@H](C[C@H]2CCCOC2)C(=O)O)cc1Cn1cccn1	1262158504	NKZUOIKSBUJZED-AEFFLSMTSA-N	373.453	2.300	10	10	FECE	
O=C(Nc1cccc(N2CCOCC2)c1)c1cc(-n2ccnn2)ccc1F	1529933880	PQBRNSAUZUITLT-UHFFFAOYSA-N	367.384	2.495	10	10	FECE	
COc1cc(OCCN(C)C)ccc1NC(=O)Cc1ccc(O)c(O)c1	1629937825	TVDXHQBMDUCSMU-UHFFFAOYSA-N	360.410	2.228	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCc2n[nH]cc2Br)cc1	1627458674	FVSMWUFBUJDRCW-UHFFFAOYSA-N	351.164	2.265	10	10	FECE	
Cn1cc(C(=O)NCc2ccccc2O)c(CNC(=O)OC(C)(C)C)n1	2124327040	VXGNJZCPCQBVBL-UHFFFAOYSA-N	360.414	2.080	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	2124348661	LNKAZARSGPQXBC-OCCSQVGLSA-N	364.442	2.260	10	10	FECE	
CC[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@H](O)C(C)C	1565453215	VABLRRRJZYQJCO-GBESFXJTSA-N	364.534	2.450	10	10	FECE	
COc1ccc(C)cc1N1C[C@H](C(=O)NCc2cc(O)ccc2O)CC1=O	1593873394	NTZPKUFAUYDKDO-CQSZACIVSA-N	370.405	2.084	10	10	FECE	
COC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1O)OC	1770764858	FFVGOHHMZLMDOW-OAHLLOKOSA-N	371.441	2.277	10	10	FECE	
Cc1ccc(O)c(CNC(=O)NCCc2cnc3c(Cl)cnn3c2)c1	1686572145	QCFFGAWLGIKYMF-UHFFFAOYSA-N	359.817	2.439	10	10	FECE	
COC(=O)c1ccccc1NC(=O)CCN1C(=O)[C@H](C)SC1=S	11635955	ACXCAZUDPKKMNG-VIFPVBQESA-N	352.437	2.051	10	10	FECE	
O=C(NCCCSc1nccs1)N1CCN(CC(F)F)CC1	154558826	CABGEJWZFOOQHV-UHFFFAOYSA-N	350.460	2.218	10	10	FECE	
COc1cc(/C=C2/SC(=S)N(C(C)(C)C(=O)O)C2=O)ccc1O	1858594082	KOVCMXRDRDYSBF-YRNVUSSQSA-N	353.421	2.465	10	10	FECE	
Cn1ncc(Br)c1S(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2155558347	OPCKKNIOHHUKMJ-MRVPVSSYSA-N	363.241	2.036	10	10	FECE	
OC[C@@H]1C[C@H]1NCc1cc(Br)cc(Br)c1O	309517136	AHEMOTTXHXZGKA-OIBJUYFYSA-N	351.038	2.388	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)CC[C@@H]1C1CC1	2049784884	SBJOWTDVQWMYCP-NGFQHRJXSA-N	350.459	2.430	10	10	FECE	
CO[C@H]1C[C@H](CNCc2ccc(O)cc2O)N(C(=O)OC(C)(C)C)C1	2052354705	IGXMQMNYAXMATC-HIFRSBDPSA-N	352.431	2.212	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@](F)(CNC(=O)c2ccc(O)c(O)c2)C1	2054414827	APFIRNNIPMKZSL-QQVUYCAZSA-N	354.378	2.223	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CN(C(=O)COc2ccc(N)cc2)CC12CC2	2106698993	GXATWYGRKPUBLO-HNNXBMFYSA-N	361.442	2.163	10	10	FECE	
C[C@@H](CN(C)C(=O)OC(C)(C)C)N(C)c1cc2c(cc1N)OCC(=O)N2	2111805244	JZXZXYANBLOWKP-NSHDSACASA-N	364.446	2.291	10	10	FECE	
CN(C)c1ccc(CNCCn2cnc(I)c2)cc1	2228833023	UMLDDNPOIZUBDB-UHFFFAOYSA-N	370.238	2.344	10	10	FECE	
CCOc1cc(C=C2SC(N3CCN(CC)CC3)=NC2=O)ccc1O	2293749568	KRYUCQDBHHMQBU-UHFFFAOYSA-N	361.467	2.399	10	10	FECE	
CCN1C(=O)C(=Cc2ccc(N(CC)CC)cc2OC)C(=O)NC1=S	2297365679	NCFYDEOFZYGJSQ-UHFFFAOYSA-N	361.467	2.188	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)NCCCCN=[N+]=[N-])CO[C@H]1C2	2312794963	ROMFUPLGNBIZTM-BFQNTYOBSA-N	353.423	2.265	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN1C(=O)c1ccccn1	173151867	GUXKSSNGNIUMMQ-IBGZPJMESA-N	366.465	2.411	10	10	FECE	
CCn1cc(CN2CCCN(Cc3cc(OC)c(OC)cc3O)CC2)cn1	180112020	SQDLPCLQIDURLD-UHFFFAOYSA-N	374.485	2.334	10	10	FECE	
COc1c(C(=O)N2CCOc3cc(N(C)C)ccc32)cnc2c1cnn2C	182946875	TWGJGMKHEGCQKR-UHFFFAOYSA-N	367.409	2.082	10	10	FECE	
NCc1ccc(N2CC[C@@H](S(=O)(=O)C(F)F)C2)c(Br)c1	2368711817	GLEHWYXNEBJQRK-SECBINFHSA-N	369.231	2.124	10	10	FECE	
CCN1CC[C@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C1=O	802533986	OCRGHCAEUMCQNT-INIZCTEOSA-N	357.410	2.318	10	10	FECE	
CN(C[C@H](O)CNCc1ccc2c(c1)CCCN2C)C(=O)OC(C)(C)C	818985466	UGSUCMVOVWEWKY-QGZVFWFLSA-N	363.502	2.386	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H](C)c2ccccn2)cc1	827164325	FZBLLIREANUXKF-INIZCTEOSA-N	368.481	2.464	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1	835053689	ZBHZQZFXCVBQKL-SUQGKYDKSA-N	351.516	2.122	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1cnc(C)o1	901326394	HABHZGPPENFSCO-UHFFFAOYSA-N	352.774	2.086	10	10	FECE	
COC(=O)[C@H]1CSCCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1	839930545	SNPOXUMWIZCTRF-OAHLLOKOSA-N	373.478	2.467	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)NC[C@@H](C)C(C)C)CC2)cc1	740040143	XOZKONQWNRTOJX-QGZVFWFLSA-N	362.518	2.409	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)N1C(=O)N[C@@H](c2ccn(C)n2)C1=O	842264350	IIMREKRGSTUBHP-GUYCJALGSA-N	355.442	2.019	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC[C@@H]2CCCCN21	912709908	YIEFEGPHVIQBEJ-ICSRJNTNSA-N	357.498	2.281	10	10	FECE	
Cn1nccc1[C@@H]1COCCN1C(=O)NCc1ccc(N2CCCC2)cc1	844888577	VPFYMSWTDMJKMN-IBGZPJMESA-N	369.469	2.303	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC1CCC(C(N)=O)CC1	840314324	FBZCKLZNNULHAX-HPUBIQBYSA-N	360.502	2.335	10	10	FECE	
Nc1ccc(CCNC(=O)N2CCCN(Cc3cscn3)CC2)cc1	841956353	DCZLFSJSBWSEER-UHFFFAOYSA-N	359.499	2.185	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)NC1C[C@@H]2CC[C@H](C1)S2(=O)=O	927306935	HKYVGCYFCYSLCO-MQVJKMGUSA-N	366.483	2.422	10	10	FECE	
COC(=O)CCNC(=O)CCN[C@H](C)c1cc(Cl)c(Cl)cc1O	858542716	WYKZOVDBJSQRRT-SECBINFHSA-N	363.241	2.419	10	10	FECE	
O=C(NCc1ccc(N2CCCNC2=O)cc1)NCc1c(O)cccc1F	923345151	IZONNGIGUVHZHH-UHFFFAOYSA-N	372.400	2.450	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@](C)(O)c3ccccc3)C2)cc1	852453191	HANAFPFCYQYFBV-UWJYYQICSA-N	369.465	2.481	10	10	FECE	
COC(=O)C1=CC[C@H](NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)C1	858739941	RBBDVZJDDIFMNC-INIZCTEOSA-N	373.453	2.179	10	10	FECE	
CCCN(C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCN(C)C1	854296116	GTNDAMSOGTZNSW-SJLPKXTDSA-N	360.502	2.400	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)[C@@H](O)Cc3cnn(C)c3)c2C)c1	863161705	IFBTZSFWYRVPGO-FQEVSTJZSA-N	366.465	2.356	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cc3cn4cc(F)ccc4n3)CC2)cc1	864470659	MIYBFKRKGZZYFX-UHFFFAOYSA-N	368.412	2.373	10	10	FECE	
CCn1c(O)nnc1C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1	930054472	PGWLMSMEQFZQMY-UHFFFAOYSA-N	371.485	2.220	10	10	FECE	
COc1cc2c(cc1OC)CN(CC(=O)NCc1ccccc1O)CC2	1137471360	IAPLMGSLCUKZJL-UHFFFAOYSA-N	356.422	2.084	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H]3C[C@H]4C[C@H]3[C@H](CO)C4)C2)cc1	895435449	JRKVTLYQKQXLSR-STNJDDFNSA-N	373.497	2.228	10	10	FECE	
CC(=O)N/C(=C/c1cccs1)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	1138153122	YPCBFJPONRJCIY-HGLKBHAMSA-N	360.435	2.384	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)C[C@H]2NC(=O)c3ccccc32)cc1	1300280258	MTTBLZHSFUKBSB-LJQANCHMSA-N	367.449	2.465	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCCc3ccccc3C2)c1	1304318533	RLRPMIAQOSBIPE-HNNXBMFYSA-N	374.462	2.441	10	10	FECE	
CCOc1ccc(N2CCN(S(=O)(=O)c3ccccc3N)CC2)cc1	1193920668	NMEZERLJKAPEPB-UHFFFAOYSA-N	361.467	2.178	10	10	FECE	
CCCN1CC[C@@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1	1253542431	KLFIRHVSPIUZQC-MJGOQNOKSA-N	361.534	2.139	10	10	FECE	
O=C(NCc1cccc(O)c1O)c1n[nH]c(C2CC2)c1Br	1349078545	IILOLGBBMTXVHX-UHFFFAOYSA-N	352.188	2.391	10	10	FECE	
COc1ccc(NS(C)(=O)=O)cc1NC(=O)c1ccc(C)c(O)c1O	1449996599	JDICOOKVTPVYCE-UHFFFAOYSA-N	366.395	2.039	10	10	FECE	
CN(CCCNC(=O)[C@@H]1C[C@H]1C1CC1)C(=O)c1ccc(N=NC(N)=O)cc1	1294108094	NDSSZMMUOAPTBP-JKSUJKDBSA-N	371.441	2.473	10	10	FECE	
C[C@H](C(=O)NCc1ccc2cccnc2c1O)n1nnc(-c2ccccc2)n1	1451959317	XALAVYIUSOAUQU-CYBMUJFWSA-N	374.404	2.471	10	10	FECE	
C[C@@H]1CCc2[nH]nc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2C1	1291756089	NVCGVXLKLIHPNG-CYBMUJFWSA-N	372.444	2.440	10	10	FECE	
CC(C)(C)OC(=O)NC1CC(CC(=O)NCc2cc(O)ccc2O)C1	1471661755	APOPABOTEAFGOR-UHFFFAOYSA-N	350.415	2.407	10	10	FECE	
COc1ccc(Cl)cc1[C@@H](O)CNC(=O)c1c(F)ccc(O)c1O	1611321795	PNRHUQAOWVFYPR-LBPRGKRZSA-N	355.749	2.362	10	10	FECE	
Cc1cc(CCNC(=O)N2CN(C)C(=O)[C@@H]2C)c(C)n1-c1ccccc1	1479064590	TWRSJVXTMFUZAU-INIZCTEOSA-N	354.454	2.466	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(S(C)(=O)=O)oc1C	1627029068	WECNVMWTBPYXTH-UHFFFAOYSA-N	358.412	2.113	10	10	FECE	
CCOc1ccccc1C(=O)NCCCC(=O)NCc1ccc(O)cc1O	1557084794	OQJMMXABNCVGDW-UHFFFAOYSA-N	372.421	2.323	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)NCCOC(=O)N(C)C)CCCC1	1628726106	YZSSPZRRNYSTST-UHFFFAOYSA-N	373.453	2.343	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(-c2cccn2C)n1CC(C)(C)O	1747750680	WRNOYZGXYKRHJE-UHFFFAOYSA-N	355.442	2.397	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cn4c(n3)C[C@H](C)CC4)C2)cc1	1587115570	XFPYZNNTKQIAAD-HUUCEWRRSA-N	354.454	2.483	10	10	FECE	
O=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1cc(O)c(O)c(O)c1	169859631	DTIQEJGIFJTWJP-UHFFFAOYSA-N	362.426	2.105	10	10	FECE	
CN(Cc1nc(=NCc2ccc(N(C)C)cc2)[nH][nH]1)C(=O)OC(C)(C)C	2128847759	PJJCSSGMXLZMIX-UHFFFAOYSA-N	360.462	2.272	10	10	FECE	
CCOc1cccc(/C=C2/SC(=S)N([C@H](C(=O)O)[C@@H](C)O)C2=O)c1	1858596050	NGCRPCHKQMDXMZ-SKUMXWNJSA-N	367.448	2.121	10	10	FECE	
CC[C@@H](CO)N1C(=O)/C(=C\c2ccc3c(c2)OCCO3)SC1=S	1858590222	CNYSDOJZNZVCAD-KYJZABPNSA-N	351.449	2.430	10	10	FECE	
C[C@H](C(=O)N1CCC[C@H](N=[N+]=[N-])CC1)N1CC(NC(=O)OC(C)(C)C)C1	2131758096	ROVKQSXUTOJKFT-OLZOCXBDSA-N	366.466	2.275	10	10	FECE	
CC(C)(C)OC(=O)N1CCS[C@@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1	2010393403	RWGSSXJDSASMLV-VXGBXAGGSA-N	355.464	2.498	10	10	FECE	
C[C@@H]([C@@H](C)N(C)c1ccc(CN)c(Br)c1F)S(C)(=O)=O	2170629426	DWCLBLHDEVHUHF-BDAKNGLRSA-N	367.284	2.305	10	10	FECE	
CN(CC(C)(C)S(C)(=O)=O)c1ccc(CN)c(Br)c1F	713916576	KVKPCAVYNRWAPF-UHFFFAOYSA-N	367.284	2.306	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(F)cc(F)c2O)[C@@H](O)C1	883196765	VRYRUZSNEXGGSM-KGLIPLIRSA-N	358.385	2.130	10	10	FECE	
CN(CCCNC(=O)CCOc1ccc(N)cc1)C(=O)OC(C)(C)C	2044201407	KCZJAKMZZHRVNC-UHFFFAOYSA-N	351.447	2.411	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N(C)CCCNC(=O)OC(C)(C)C	2044595660	ZCTSQNCCFRRRRE-CYBMUJFWSA-N	350.463	2.442	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1ccc(O)c(O)c1	2054411527	ZQSVHTHHWROUSR-RYUDHWBXSA-N	354.378	2.175	10	10	FECE	
COC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NCc1cccc(C)c1O	2084062033	BCBJORXGBFLDGA-SFHVURJKSA-N	352.431	2.247	10	10	FECE	
CCN(C[C@@H](C)NC(=O)OC(C)(C)C)c1cc2c(cc1N)OCC(=O)N2	2106835119	AWYYOYUMXODVGC-LLVKDONJSA-N	364.446	2.339	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-]	2218745346	MENLOMNZXNJVQS-UMSGYPCISA-N	353.423	2.216	10	10	FECE	
CN(C)c1ccc(CNCc2ncc(I)cn2)cc1	2353149181	JPKBKWLJJRITCN-UHFFFAOYSA-N	368.222	2.437	10	10	FECE	
CN(C)c1ccc(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)cc1F	74249645	AHBPGSSZPOMBRS-DNVCBOLYSA-N	370.428	2.123	10	10	FECE	
C[C@@H](NC[C@@]1(CCO)CCOC1)c1ccc(N2CCOCC2)c(F)c1	125813195	VJHJGECFOZVZPA-DNVCBOLYSA-N	352.450	2.102	10	10	FECE	
C[C@H](Cn1cncn1)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	158179590	HAOJYCBYRYTXIS-MRXNPFEDSA-N	356.474	2.499	10	10	FECE	
Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cnn1	276068023	LLZCXIFQCXQKST-OKILXGFUSA-N	358.417	2.468	10	10	FECE	
CN(C)S(=O)(=O)[C@H]1CCCN(Cc2cc(Cl)c(F)cc2O)C1	294846554	ZMROXBIMIBEDRW-NSHDSACASA-N	350.843	2.041	10	10	FECE	
CC1(C)OCC[C@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	297858886	PETOIEXUGXFBED-GOSISDBHSA-N	361.486	2.262	10	10	FECE	
C[C@H](N)c1ccc(N(C)C2CCS(=O)(=O)CC2)c(Br)c1	694172512	COSGRKYMQLMWHM-JTQLQIEISA-N	361.305	2.482	10	10	FECE	
CO[C@H]1CN(Cc2cc(Cl)cc(Br)c2O)C[C@@H]1C(=O)O	708117181	XDIWRNLXYKXGQO-ONGXEEELSA-N	364.623	2.340	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N2C[C@H]3CCCN3c3ccccc32)c1	731971884	FUAALPILOAPPJU-XZVRFQMRSA-N	362.433	2.470	10	10	FECE	
CCOC(=O)[C@@H](C)NC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	766708976	HKUYPHHAIFTQRA-OAHLLOKOSA-N	371.481	2.476	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C1CCCC1	803297930	KFLAJBLJPBBSRH-JKSUJKDBSA-N	373.497	2.395	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)NCc1ccc(Cl)cn1	806276029	DVSJJMIRQNMEHA-UHFFFAOYSA-N	370.887	2.106	10	10	FECE	
CC(=O)C(=O)COC(=O)c1c(C)nn(Cc2ccc(F)cc2)c1Cl	808499995	RNTDOFIFUQILKF-UHFFFAOYSA-N	352.749	2.347	10	10	FECE	
CC(=O)C(=O)COC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1	808500493	OHHQYBRCVFLIGO-UHFFFAOYSA-N	355.325	2.117	10	10	FECE	
COCC[C@@H](COC)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	812576031	RFWNSEBDCIJDRV-DLBZAZTESA-N	366.458	2.134	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CNCc4ccccc43)CC2)cc1	825720554	CREALWJRMFSGTD-HXUWFJFHSA-N	351.450	2.231	10	10	FECE	
COc1cc(Cl)cc(CNCCS(=O)(=O)CC(F)(F)F)c1O	827047009	CJCTZYJPTSPPME-UHFFFAOYSA-N	361.769	2.121	10	10	FECE	
Cc1ccncc1CN(C)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	839219707	PXJRUCWNPPIGDX-UHFFFAOYSA-N	354.454	2.073	10	10	FECE	
CCOc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)nc1C	850375339	YDHVOOGUBKCCJD-UHFFFAOYSA-N	370.453	2.418	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3C[C@@H]4COC[C@]4(C)C3)CC2)cc1	853643679	KZRBGHLPSYRXQK-QRWLVFNGSA-N	359.470	2.342	10	10	FECE	
CN1Cc2ccccc2[C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C1=O	857854062	IKINVZAPNZJQRM-GOSISDBHSA-N	370.428	2.404	10	10	FECE	
O=C(NCc1cccc(Br)c1O)[C@H]1CCc2nncn2CC1	879774463	IFUZIEHJMXBWIP-JTQLQIEISA-N	365.231	2.015	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)[C@]23C[C@H]2COC32CCC2)N(C)C)cc1	891243526	PFLQCSKTZXQUOL-CDXJDZJCSA-N	357.498	2.431	10	10	FECE	
OC[C@@]1(C(F)(F)F)CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	895836608	NTRXOUVIJIZADP-MRXNPFEDSA-N	362.367	2.409	10	10	FECE	
COc1cccc(CNC(=O)[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c1O	907061923	YPKMLBXNFMSMMZ-CHWSQXEVSA-N	350.415	2.178	10	10	FECE	
Cc1cc(C(=O)COC(=O)[C@@H]2COCCO2)c(C)n1-c1ccc(F)cc1	915414942	QTLTUMUFOSJWGJ-SFHVURJKSA-N	361.369	2.375	10	10	FECE	
C[C@@H](NC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O)c1ccccc1O	1171723191	NWENZUMPKSGSDY-LLVKDONJSA-N	369.352	2.071	10	10	FECE	
C[C@@H]1CNc2c(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cnn2C1	1350841687	IMMSNLGGOMRRLD-OAHLLOKOSA-N	369.469	2.054	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N2C[C@H](CO)OC[C@@H]2C)CCCC1	1446085162	KHQPFOGNSHZNRO-GOEBONIOSA-N	372.465	2.137	10	10	FECE	
Cc1nc(O)c(C(=O)NCc2cccc(O)c2O)cc1Br	1455314590	HDCDKZLOIAPIHD-UHFFFAOYSA-N	353.172	2.199	10	10	FECE	
CNc1cc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)ccn1	1521238407	XUJBWLHEZYFVFW-OAHLLOKOSA-N	355.442	2.210	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2COCC[C@H]2OC)CCCC1	1538336418	DSKGDNQIEUGBHB-YLJYHZDGSA-N	372.465	2.449	10	10	FECE	
COC(=O)[C@H]1CCN1C(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2	1538367130	WGSRVZRNMYZXEW-GOSISDBHSA-N	356.422	2.303	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)Cc1csc(N2CCOCC2)n1	1628859588	CLIISMCOBWOEPB-UHFFFAOYSA-N	374.510	2.213	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)N3CC[C@@H]4[C@H](C3)C4(F)F)cc2)CC1	1684874510	RUDFHLBVYAYSPW-SJORKVTESA-N	364.440	2.235	10	10	FECE	
CCCS(=O)(=O)NC1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	1858044235	LMTAAOCZQZJNIL-UHFFFAOYSA-N	372.487	2.011	10	10	FECE	
O=C(N[C@H]1CC[C@H]1NCc1ccc(O)c(O)c1O)OCc1ccccc1	1977132336	UGSYWONYBFUATB-CABCVRRESA-N	358.394	2.350	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](NCc2ccc(O)c(O)c2O)C2(CC2)C1	2033046835	QHUHYGHLOPYQFS-ZDUSSCGKSA-N	350.415	2.293	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(C)(C)C(=O)NCCCN=[N+]=[N-])CC1	2060621110	KDHKVQZKNCMYFX-UHFFFAOYSA-N	354.455	2.134	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@]1(C)C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2081167476	FDIGIYGBUSKUGY-MLGOLLRUSA-N	353.423	2.171	10	10	FECE	
CN(C(=O)[C@H]1CC[C@@H](C(=O)O)N1Cc1ccccc1)c1ccc(N)cc1	2106307022	HNONAORIIGTUIL-MSOLQXFVSA-N	353.422	2.349	10	10	FECE	
CC(C)(C)OC(=O)NCC1CC(F)(CNC(=O)c2ccc(O)c(O)c2)C1	2118175462	HTQGPXUOISPPDT-UHFFFAOYSA-N	368.405	2.471	10	10	FECE	
CN(C)c1ccc([C@@H](O)c2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)cc1	2163063704	SDLNXQGBUIANGZ-QGZVFWFLSA-N	373.457	2.218	10	10	FECE	
Nc1ccc(CC(=O)N2CC[C@H]3COC[C@@H](C2)N3Cc2ccccc2)cc1	2204526897	WIUWPBYXBWWLCC-LEWJYISDSA-N	365.477	2.313	10	10	FECE	
COc1ccc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@H](CO)[C@H]3C2)c(F)c1	2227317241	UZUREEXQYSNNBJ-HACGYAERSA-N	366.433	2.498	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2253543047	BUGMRDHRBWWNOS-RWMBFGLXSA-N	353.423	2.048	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N1CCS[C@H]2COCC[C@H]21	2301507005	XLULWSAKULPAAK-MOPGFXCFSA-N	374.506	2.269	10	10	FECE	
C[C@@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)c1cc(O)ccc1O	2310455952	VYDYKXQTLRXLMB-DJSGYFEHSA-N	352.431	2.119	10	10	FECE	
O=S1(=O)C[C@@H]2CN(Cc3cc(Cl)cc(Br)c3O)C[C@H]21	2336552342	DRJQOLRDBNFYIO-GZMMTYOYSA-N	366.664	2.037	10	10	FECE	
CC(C)CN1C(=O)/C(=C\Nc2ccnn2[C@@H](C)C2CC2)C(=O)NC1=S	60865278	YSBWRTSJMXJMJF-LFTLCWSBSA-N	361.471	2.049	10	10	FECE	
Cc1cc(C)n(C[C@H]2CN(C(=O)NCc3ccc(N(C)C)cc3)CCO2)n1	111416652	VPGXGPRUZOZGPV-LJQANCHMSA-N	371.485	2.177	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)c1	74612902	NEPUAENVVSTVIL-UONOGXRCSA-N	373.457	2.164	10	10	FECE	
Nc1ccc(CCCn2cncc(I)c2=O)cc1	122734273	JUZLDUBMCGKHFP-UHFFFAOYSA-N	355.179	2.063	10	10	FECE	
COc1ccc(N2CCC(NC(=O)c3cnc4c(c3)ncn4C)CC2)cc1	183652142	QONAIGJSZSNMPX-UHFFFAOYSA-N	365.437	2.376	10	10	FECE	
Nc1ccc(CC(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1	237890059	CMJGNXYQGILFBZ-UHFFFAOYSA-N	359.376	2.074	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3CC[C@]4(CNC(=O)C4)C3)c2C)cc1	279465882	FZHDASJQTIMNDD-NRFANRHFSA-N	367.449	2.455	10	10	FECE	
Cc1nnc(CCNC(=O)NCc2cc(Br)ccc2O)s1	811924128	JEVWPUFVJKJMPO-UHFFFAOYSA-N	371.260	2.357	10	10	FECE	
O=C(/C=C\[C@H]1CCOC1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	828259032	JCIIBEZPMIUTGJ-VORVDVFJSA-N	369.509	2.428	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@@]2(C)CNC(=O)C2)C1	839000821	FGXPMDRJEXCKQR-OAQYLSRUSA-N	369.465	2.230	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCc4ncsc4C3)C2)cc1	852450976	ATARRDUECOYLGV-CYBMUJFWSA-N	358.467	2.498	10	10	FECE	
CNC(=O)c1ccc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1	854240428	SQMUZZWIWFFXDF-MRXNPFEDSA-N	368.437	2.455	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)C2)cc1	855228247	YFWPPQSDNATEIT-CABCVRRESA-N	361.486	2.331	10	10	FECE	
C[C@H](NC(=O)N1CCc2nccnc2C1)c1ccc(N2CCOCC2)cc1	852013001	RDZGLCMFSDGQDQ-HNNXBMFYSA-N	367.453	2.142	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H](C)NC(=O)CC(C)(C)C)C2)cc1	855228248	YFWPPQSDNATEIT-GJZGRUSLSA-N	361.486	2.331	10	10	FECE	
C[C@H](NCc1ccc(CN2C(=O)CNC2=O)cc1)c1ccc(F)cc1O	866521756	NYRKVSSQCYIVQT-LBPRGKRZSA-N	357.385	2.434	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@H]2CSC[C@@H]2C1	868130665	QJOLBZMOWGAZEE-IRXDYDNUSA-N	361.511	2.418	10	10	FECE	
Cc1cc(C(=O)CN2CC[C@@H](NC(N)=O)C2)c(C)n1-c1cccc(F)c1	762926172	QYWAAGKCZXWVCB-OAHLLOKOSA-N	358.417	2.159	10	10	FECE	
CCOC(=O)c1cc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)on1	868515598	NBSQJVWBJKVZGL-GFCCVEGCSA-N	360.414	2.478	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCN(C(C)(C)C)CC3)C2)cc1	1118584158	ROJCAYNBPPPAMW-MRXNPFEDSA-N	360.502	2.400	10	10	FECE	
O=[N+]([O-])c1cc(Cl)cc(CN2C[C@@H](O)CC3(CCOCC3)C2)c1O	895721744	ILIBRPDGLOELRC-ZDUSSCGKSA-N	356.806	2.317	10	10	FECE	
CN1CCN(c2ccc(CN3CC[C@](CO)(C(F)(F)F)C3)cc2)CC1	895837182	RZYJTBXWXVIVLF-KRWDZBQOSA-N	357.420	2.185	10	10	FECE	
COc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)ccc1OCc1ccccc1	1084371931	GBWROZQRGFPMDS-GDNBJRDFSA-N	366.373	2.366	10	10	FECE	
C[C@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1cc(F)ccc1O	705767701	QGUHQRLNBTZHIR-HWWQOWPSSA-N	354.422	2.410	10	10	FECE	
C[C@@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)c1cncs1	1334001514	UIOAMNNEDSGFEN-GFCCVEGCSA-N	358.467	2.019	10	10	FECE	
CO[C@@H]1CCC[C@@H]([C@H](CO)NC(=O)NCc2ccc(N(C)C)c(F)c2)C1	1347236809	BRWFANBFHGRDQM-INMHGKMJSA-N	367.465	2.257	10	10	FECE	
CNc1cc(CNC(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)ccn1	1351612080	JPAFDABBBNNSLM-MRXNPFEDSA-N	369.469	2.458	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-c2cccnc2)nn1C	1296245723	GUVSFCKXSRUDCE-LBPRGKRZSA-N	352.394	2.254	10	10	FECE	
CN(C)c1ccc(CNC(=O)[C@@]2(O)CCCN(Cc3ccccc3)C2)cc1	1539049685	LZYOXXLXIPWRSQ-JOCHJYFZSA-N	367.493	2.396	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc([N+](=O)[O-])c[nH]1	1623928365	MBJCWPNVVAYHMU-UHFFFAOYSA-N	367.745	2.097	10	10	FECE	
COc1ccc([C@@H](CO)CNC(=O)c2ccc(N=NC(N)=O)cc2)cc1	1626128885	VEBPJYWPDMPLRA-CQSZACIVSA-N	356.382	2.364	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H]1COCC[C@H]1NC(=O)OC(C)(C)C	2124295330	NJZDDXMETIWZLZ-HUUCEWRRSA-N	364.442	2.280	10	10	FECE	
CC(C)N(C)S(=O)(=O)c1ccc(N(C)C(=O)/C=C\c2cnccn2)cc1	1772936151	QHIOFELRJLAHSL-YHYXMXQVSA-N	374.466	2.182	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)N3CC[C@@H]4[C@@H](C3)C4(F)F)cc2)CC1	1684874506	RUDFHLBVYAYSPW-IAGOWNOFSA-N	364.440	2.235	10	10	FECE	
CCOCc1nnc(N2CCOCC2)n1Cc1ccc2c(c1)CCCN2C	1696355575	USCNUQGSJOZJRL-UHFFFAOYSA-N	371.485	2.082	10	10	FECE	
COc1ccc(O)c([C@H](C)N=c2[nH]nc(CNC(=O)OC(C)(C)C)o2)c1	2138818682	QPZHDKRSLZWZBJ-JTQLQIEISA-N	364.402	2.404	10	10	FECE	
CN[C@@H](C)c1ccc(N2CCCS(=O)(=O)CC2)cc1Br	234449381	ODKFLCZABVNEHP-NSHDSACASA-N	361.305	2.354	10	10	FECE	
N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1CC(COCc2ccccc2)C1	2149062636	HZFWKKLXKXKNMK-ABHNRTSZSA-N	370.449	2.079	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C[S@@](C)(=O)=NCc2cc(N)ccc2O)C1	2047097661	UFXKRWMCTCKTGG-RUZDIDTESA-N	369.487	2.439	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2060639689	KSCCQCYVPUIHGF-STQMWFEESA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2060636445	YBYOSRWVQBCXOW-GFCCVEGCSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H](C(=O)N2CC[C@@H](N=[N+]=[N-])C2)O1	2073531658	WHYUQUDRQXGISD-AGIUHOORSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)NC1CN(C[C@H](N)c2ccc(N3CCCC3)cc2)C1	2112998367	MTEHTBDCGWCCCL-SFHVURJKSA-N	360.502	2.496	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])CCCO1	2218737364	GYNDWZITBHILET-MKBNYLNASA-N	353.423	2.408	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])CCCOC1	2218743179	IVFSXHASWRSYCI-BFQNTYOBSA-N	353.423	2.408	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-]	2218746245	VYWWOSWCOCPJTJ-UMSGYPCISA-N	353.423	2.216	10	10	FECE	
NC(=O)C1CCN(C2=NC(=O)C(=CC3=Cc4ccccc4OC3)S2)CC1	2296704026	KMXSKDDTQLSIGS-UHFFFAOYSA-N	369.446	2.173	10	10	FECE	
CC(C)CC(=O)NN1C(=O)C(=C2C(=O)Nc3ccccc32)SC1=S	2297261358	IQXAIUZBBIBQFC-UHFFFAOYSA-N	361.448	2.287	10	10	FECE	
C[C@@H](Oc1ccc(C=C2SC(=S)N(CCCO)C2=O)cc1)C(=O)O	2314930115	XSUYFAVSLGORLD-SNVBAGLBSA-N	367.448	2.122	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2CNC(=O)COc1ccc(N)cc1	2333091584	RETBBCDWTJZONQ-MAZHCROVSA-N	361.442	2.019	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@H]1COC2(CNC(=O)OC(C)(C)C)CC1C2	2342774075	ZAHDGIJIYPXEEW-UIORMTCPSA-N	367.450	2.465	10	10	FECE	
C[C@@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)Cn1cccn1	108777925	UTYPFKIINYQEFY-JZLODUJNSA-N	354.454	2.185	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCCN1C(=O)Cc1cccs1	122729691	GQTYWGDBRNCVDJ-OAHLLOKOSA-N	374.462	2.052	10	10	FECE	
O=C(Cc1cncnc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	368151800	JVMLSHCGCZSQQJ-INIZCTEOSA-N	360.845	2.159	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCc2cscn2)cc1	804020729	JMPXLTVZQWOUHD-UHFFFAOYSA-N	360.483	2.264	10	10	FECE	
COc1cc(N2CCN(C(=O)N[C@@H]3CC34CC4)CC2)cc(OC)c1OC	823872417	CMMNJEGHLCUPEE-MRXNPFEDSA-N	361.442	2.097	10	10	FECE	
C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCN1S(C)(=O)=O	827271865	UVZCTZROVVZWIR-MRXNPFEDSA-N	351.516	2.143	10	10	FECE	
COc1ccc(N2CCC(NC(=O)NCCc3cc(C)n(C)n3)CC2)cc1	916225482	ISRXEHRPPKOGDW-UHFFFAOYSA-N	371.485	2.248	10	10	FECE	
O=C(CSc1nnnn1C1CCCC1)NCc1c(O)cccc1F	928710219	QHXRLCWSTNJRRF-UHFFFAOYSA-N	351.407	2.041	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3COCCN3C3CCCC3)C2)cc1	855224132	DNLGKXDJNTZUKT-UZLBHIALSA-N	373.497	2.034	10	10	FECE	
CN(CC1CC1)C(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1	751930691	IXHLAGLUBNGCQE-UHFFFAOYSA-N	359.451	2.341	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCCc4c(cnn4C)C3)C2)cc1	852986678	IQLDDJAARFQCSS-INIZCTEOSA-N	369.469	2.165	10	10	FECE	
COC(=O)c1ccc(O)c([C@@H](C)NC(c2ccnn2C)c2ccnn2C)c1	858584656	VRZKPLRGIWAGSB-GFCCVEGCSA-N	369.425	2.086	10	10	FECE	
COC(=O)[C@@]1(OC)CCN(Cc2ccc(N3CCC(OC)CC3)cc2)C1	859557281	SMKSWDIYAFXGLD-HXUWFJFHSA-N	362.470	2.066	10	10	FECE	
COC(=O)[C@@H]1C[C@H]1[C@H](C)NCc1cc(F)c(N2CCOCC2)c(F)c1	850322797	IJSZVFLYBBXYJI-FPMFFAJLSA-N	354.397	2.089	10	10	FECE	
CCN1CCCC[C@H]1CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	852088854	HUOZASAGQSAOLN-WMZOPIPTSA-N	360.502	2.448	10	10	FECE	
CCN(CC)CC1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1	761884230	PXDVQFUOHJHLLW-UHFFFAOYSA-N	362.430	2.484	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1c[nH]nc1[C@H]1CCCO1	869295180	NCCMKIVEZBJJNG-GOSISDBHSA-N	370.453	2.152	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CC[C@H]3CN(C)C[C@H]32)cc1	1123801187	BRNWHSBWRLOZJU-KFKAGJAMSA-N	360.502	2.113	10	10	FECE	
COC(=O)N1CCC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1	896082052	RCJBSODGDFWFLX-JTQLQIEISA-N	350.396	2.273	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](CC)[C@H]1CCCOC1	898459814	SAVZAPPGASQENW-IRXDYDNUSA-N	362.470	2.452	10	10	FECE	
CN(C)c1ccc([C@H](CN)N2C[C@@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)cc1	1881241155	MNPGRAVXTBMSMF-RIFZZMRRSA-N	360.502	2.351	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1cccc(N2C(=O)CCCC2=O)c1	1156650326	RWQGQECECPFWMM-UHFFFAOYSA-N	354.362	2.323	10	10	FECE	
CCS(=O)(=O)C1(CNCc2cc(Br)cc(F)c2O)CC1	715826814	HKCXSHJASYIUQE-UHFFFAOYSA-N	366.252	2.351	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)N3CC(O)(c4nccn4C)C3)c2C)c1	1471489195	VDEJTVZAUKYMQV-UHFFFAOYSA-N	364.449	2.480	10	10	FECE	
COc1ccc(CNC(=O)Cc2nnc(-c3ccccc3OC)o2)c(O)c1	1633927032	PBFQJTKVHDPPAB-UHFFFAOYSA-N	369.377	2.318	10	10	FECE	
CCN1CC[C@H]1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	1631425429	FOXIOWGXAUZTKY-HOTGVXAUSA-N	351.878	2.220	10	10	FECE	
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCc1c(O)cccc1O	1647270638	VMWRVKDPFLINHQ-KRWDZBQOSA-N	354.406	2.250	10	10	FECE	
COc1ccccc1N1CCCN(C(=O)Cc2ccc(O)c(O)c2)CC1	1640510371	YDLKLOWRRLAEDW-UHFFFAOYSA-N	356.422	2.388	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c(C(C)C)nnc1N1CCN(C)C(=O)C1	1751432096	XKGCBJISILQVMX-UHFFFAOYSA-N	370.501	2.103	10	10	FECE	
CCOCCO[C@H]1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1	1772901297	SVTGZFZEOMMMMO-PKYBCLHXSA-N	364.398	2.413	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1(C)C	2132404511	SHIHVUFIGMXXGM-UHFFFAOYSA-N	366.414	2.275	10	10	FECE	
Cc1c(OCCOc2ccc(N)cc2)c(=O)ccn1CCCn1ccnc1	1857911008	LWHCABWXQPPCPS-UHFFFAOYSA-N	368.437	2.484	10	10	FECE	
CC(C)(C)OC(=O)N1Cc2nccn2C[C@H](NCc2ccccc2O)C1	1967902177	QQPRTAOPAUWKPL-HNNXBMFYSA-N	358.442	2.498	10	10	FECE	
C[C@H]1C[C@H](CNCc2cc(Br)ccc2O)CCS1(=O)=O	1967902241	RDVUCPJKSOLGFL-WDEREUQCSA-N	362.289	2.458	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H](N)Cc2ccc(O)c(O)c2)C1	1952889736	IPVSOIDUQXFTLG-XJKCOSOUSA-N	352.431	2.040	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCc1cccc(O)c1O	2030121933	DOTBVTPOWMDJGJ-HIFRSBDPSA-N	352.431	2.212	10	10	FECE	
CN1C(=O)[C@H](N)c2ccc(N3C[C@@H]4CCN(Cc5ccccc5)[C@@H]4C3)cc21	2188884359	JOOKTGXHWKPLPH-ZLGUVYLKSA-N	362.477	2.374	10	10	FECE	
CC(C)(C)OC(=O)N1CC([C@@H](F)CNC(=O)Cc2ccc(N)cc2)C1	2050108884	UXCLIZDHMZSKGP-HNNXBMFYSA-N	351.422	2.133	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@@]12CCOC[C@H]1CN(C(=O)OC(C)(C)C)C2	2060616403	ACVVNKDGLMKCIO-MLGOLLRUSA-N	353.423	2.029	10	10	FECE	
CN1CCc2cc([C@H](N)CN3CCN(C(=O)OC(C)(C)C)CC3)ccc21	2106853437	RBHLKYOTMJGBDN-QGZVFWFLSA-N	360.502	2.231	10	10	FECE	
COC(=O)c1cccc(N)c1N[C@@H]1COCC[C@@H]1NC(=O)OC(C)(C)C	2108839423	VKVRVHHGSNUJNS-UONOGXRCSA-N	365.430	2.150	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H]1C[C@@]1(C(=O)C(=O)C[C@H]1C[C@H](N)C1)C2	2112561478	GXYSXEQOJCGTKH-PXYOJJGMSA-N	362.470	2.430	10	10	FECE	
COC(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1	2297329471	SGZOSVIVBDGJKT-UHFFFAOYSA-N	365.345	2.052	10	10	FECE	
O=C(O)[C@@H](Cc1cnc[nH]1)N1C(=O)C(=Cc2ccccc2)SC1=S	2323714090	XMKOZRNKYYKZFU-GFCCVEGCSA-N	359.432	2.307	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)CCOCCOCCNC(=O)OC(C)(C)C	2337776008	BGYPKIANJHXMJY-UHFFFAOYSA-N	373.454	2.093	10	10	FECE	
COCCNC(=O)c1cnn2c(O)c(Cc3ccc(Cl)cc3)c(C)nc12	6269046	ROVBNULNNAFOFD-UHFFFAOYSA-N	374.828	2.364	10	10	FECE	
CCOC(=O)[C@@]12O[C@@]1(c1ccc(OC)cc1)C(=O)c1ccccc1C2=O	101000008	QFGXRKONTYOFON-VQTJNVASSA-N	352.342	2.302	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCCc3cccc(O)c3)CC2)cc1	170696088	REHLQNJOIJAANB-UHFFFAOYSA-N	355.438	2.475	10	10	FECE	
C[C@H](C(=O)NC1CC1)N1CCN(Cc2c(O)ccc3ccccc23)CC1	119486593	BIHMRLKESRNSNY-OAHLLOKOSA-N	353.466	2.330	10	10	FECE	
C[C@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)CC1(C)OCCO1	174375467	DVDHRYYGIDRAAX-JZLODUJNSA-N	374.481	2.442	10	10	FECE	
CN1CCCc2cc(CNC(=O)C(=O)N3C[C@H]4CCCC[C@@H]4C3)ccc21	803685460	AUXLVUNEBDUQET-QZTJIDSGSA-N	355.482	2.334	10	10	FECE	
Cn1ccnc1[C@](O)(CNCc1cc(Cl)c(F)cc1O)C(F)(F)F	293667197	QBQJNDOAFAMJHS-CYBMUJFWSA-N	367.730	2.458	10	10	FECE	
COc1ccc(N2CCN(CCN[C@@H]3CCC[C@@H]3[C@@H]3CCCN3)CC2)cc1	817893495	FYVYJCIMUKUZGK-BDTNDASRSA-N	372.557	2.328	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC[C@@H](O)CN(C)C(=O)OC(C)(C)C	819076461	CQHUWLIQZHJCRZ-QGZVFWFLSA-N	351.491	2.378	10	10	FECE	
COc1ccc(N2CCN(C(=O)COC(=O)[C@@H]3CC[C@@H]4C[C@H]4C3)CC2)cc1	817204920	XXGBVNBKPLBSFD-ZACQAIPSSA-N	372.465	2.323	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N[C@H](C(=O)O)c1ccccc1	588592230	LOCXXGUEJWPMFT-WUQYLLKWSA-N	366.417	2.479	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccnn1C1CCC1	914207355	MZDBCFDGXFOREJ-UHFFFAOYSA-N	362.455	2.262	10	10	FECE	
CCCc1ncc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)o1	836248138	DOLZGZBMPUOXKG-UHFFFAOYSA-N	358.442	2.463	10	10	FECE	
CN(C)c1ccc(/C=C\CNCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1	835042157	HBCFSWYTRBWARH-IABHONDKSA-N	365.477	2.163	10	10	FECE	
C[C@@]1(c2ccccc2)CCN(Cc2cc(O)n3ncc(C(=O)O)c3n2)C1	846251756	JHXYIXUDGWJXBL-LJQANCHMSA-N	352.394	2.297	10	10	FECE	
C[C@H]1[C@@H](N)CCN1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	841712378	OLALVCCMPSRVJP-WVZRYYJFSA-N	364.465	2.070	10	10	FECE	
O=C(NCc1c(O)cccc1F)NC[C@@H]1CN(Cc2ccccc2)CCO1	913873565	NFWJTZNAWOHIQT-MRXNPFEDSA-N	373.428	2.232	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)C3CCC(=O)CC3)CC2)cc1	746102301	XHUDXESBCYJIEM-UHFFFAOYSA-N	373.497	2.083	10	10	FECE	
COc1ccc(CNC(=O)[C@@H](C[C@H]2COCCO2)C(F)(F)F)c(O)c1	846949794	JUQKSVYHZITXFU-QWHCGFSZSA-N	363.332	2.001	10	10	FECE	
CN(CCC(=O)OC(C)(C)C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	842031569	GIHSMEYTZPPJTM-UHFFFAOYSA-N	351.359	2.094	10	10	FECE	
CCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	855233082	WOXDSKUXKICJIV-CRAIPNDOSA-N	359.470	2.181	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CCN([C@H]3CCOC3)CC2)c1O	853552501	HBFPZURCWJBNAI-INIZCTEOSA-N	370.449	2.239	10	10	FECE	
C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCNC3=O)cc2Cl)C1	852309084	WGDKWHJAIQYVAQ-DOMZBBRYSA-N	364.877	2.264	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2ccc(CNC(=O)C(F)(F)F)o2)cc1	858161449	QLGBJQZJSWCWKO-UHFFFAOYSA-N	369.343	2.454	10	10	FECE	
COC(=O)[C@H]1CSCCN1C(=O)c1cc2cc(O)c(O)cc2s1	925192830	SUEORZVHIHAFCR-SECBINFHSA-N	353.421	2.043	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)N[C@H]2C[C@H](C)n3ncnc32)cc1	852473505	OKSVDCWFWVNAGX-BBRMVZONSA-N	358.446	2.070	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cnn2c(=O)cc[nH]c12	863942264	UDTRUQNBVZIWLR-UHFFFAOYSA-N	353.426	2.139	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)CN3CC[C@@H]4C[C@H]43)cc2F)C[C@@H](C)O1	761091356	MFGJUSOVJLFACK-QHHYFVSCSA-N	361.461	2.150	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CCn4cc(C)nc4C3)C2)cc1	862035634	ZZLGVMCYFBCJEV-DLBZAZTESA-N	368.481	2.405	10	10	FECE	
CN(C)c1ccc(CN(C(=O)Nc2ccc(C(N)=O)nc2)C2CC2)cc1	766463812	QAQUGIBPBJHGCO-UHFFFAOYSA-N	353.426	2.443	10	10	FECE	
Cc1nc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)sc1C	771934647	BXOODYJSILSQCG-UHFFFAOYSA-N	367.496	2.075	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CC4(CCNC4)C3)ccc(N)c2C1	1876243043	GGPNZLYZRMBVLP-UHFFFAOYSA-N	358.486	2.362	10	10	FECE	
C[C@@H](NC(=O)N1CCO[C@@H](C2CC2)C1)c1ccc(N2CCOCC2)cc1	776859482	DCZOHDVUWDJCBC-DNVCBOLYSA-N	359.470	2.405	10	10	FECE	
COCC(=O)NC1CCN(Cc2cc(C)cc(Br)c2O)CC1	781897065	CERYSNWTWHLWJE-UHFFFAOYSA-N	371.275	2.190	10	10	FECE	
COCc1c(C(=O)NCc2cc(O)ccc2O)cnn1-c1ccccc1	1153884721	GQAZGGPYABVQCS-UHFFFAOYSA-N	353.378	2.360	10	10	FECE	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cnncc1O	1156288021	VUIMJNGNGJMDDS-UHFFFAOYSA-N	372.425	2.184	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)/C=C\c3nccs3)CC2)cc1	1346871086	CYQWJSMJKXAMOP-SREVYHEPSA-N	372.494	2.103	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CC2)n1CCCc1cnn(C)n1	1314752992	JKPAXHVBCDXSIS-UHFFFAOYSA-N	367.457	2.259	10	10	FECE	
Cc1cc(CNC(=O)NC[C@](C)(O)CN(C)C)c(C)n1-c1ccccc1	1313134162	YXVNDJMOXNIPPC-FQEVSTJZSA-N	358.486	2.206	10	10	FECE	
Cc1nc(O)c(C(=O)NCc2cc(O)ccc2O)cc1Br	1176755714	SVYDEYMNQNONNM-UHFFFAOYSA-N	353.172	2.199	10	10	FECE	
C[C@H](N)c1ccc(N(C)C[C@H]2CCCS2(=O)=O)c(Br)c1	694120967	UOBBTRJEYVHXKN-CMPLNLGQSA-N	361.305	2.482	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2ccccc2O)C[C@H]2OCC[C@H]21	934936650	WAYXXQPIKVVGGF-IJEWVQPXSA-N	362.426	2.175	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NCc2ccc(F)c(F)c2O)C1	2116270660	RNCJUWBJVCFAFJ-TZMCWYRMSA-N	372.412	2.378	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@@H](N(C)C)C3)cc2)CC1	1455228478	XDCRATFJKVANOK-AZUAARDMSA-N	358.530	2.175	10	10	FECE	
COc1ccc(CNC2(CNC(=O)[C@@H]3C[C@H]3c3cncn3C)CC2)cc1C	1716694718	FHRUXGWICKWEHA-IAGOWNOFSA-N	368.481	2.279	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(OC(C)C)CCC1	1638030399	LSFULVCFBCNWGM-AWEZNQCLSA-N	365.426	2.036	10	10	FECE	
CN(C)CCN(CC(=O)N1CCC[C@@H](CN=[N+]=[N-])C1)C(=O)OC(C)(C)C	2124513354	PSEKHVMJHGCOJO-AWEZNQCLSA-N	368.482	2.334	10	10	FECE	
O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCCN1CCNC1=S	1643327360	QDHPJXUIHNBHPD-UHFFFAOYSA-N	370.434	2.428	10	10	FECE	
COc1ccc(-c2noc(CCC(=O)NCc3cc(O)ccc3O)n2)cc1	1644752382	CZEBRIOGFSPAMQ-UHFFFAOYSA-N	369.377	2.405	10	10	FECE	
COC(=O)[C@H](C)N1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S	6097198	SCNHHHJJPKGGNQ-ITTMYVLYSA-N	367.448	2.467	10	10	FECE	
COC(C)(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1O	1969154841	RXXZWBLWWRAFNF-CQSZACIVSA-N	352.431	2.327	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](CNCc2ccc(Cl)cc2O)[C@@H](O)C1	1942493388	GUOZIQRSXCDSGY-WFASDCNBSA-N	356.850	2.363	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CCO)(CNCc2c(O)cccc2F)C1	1972799775	HBOZPJDOBQUXSC-UHFFFAOYSA-N	354.422	2.240	10	10	FECE	
CNCc1ccc(N(C)C[C@H]2CCS(=O)(=O)C2)c(Br)c1	2148774186	MREHJPOSUOULJH-GFCCVEGCSA-N	361.305	2.039	10	10	FECE	
Nc1c(C(=O)NC2CC2)nn(Cc2c(O)cccc2F)c1C(F)(F)F	2079229279	HEJZASZNINURBM-UHFFFAOYSA-N	358.295	2.269	10	10	FECE	
CC[C@@H](CN(C)CC(=O)Nc1ccc(N)cc1)NC(=O)OC(C)(C)C	2053102438	VDGKOLDIOCDVGJ-AWEZNQCLSA-N	350.463	2.442	10	10	FECE	
COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2060636378	XDATUDYYLRPABG-QWHCGFSZSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C(=O)N2CCC(N=[N+]=[N-])CC2)CO1	2060611520	VESNQSMBXBLFRV-DGCLKSJQSA-N	353.423	2.218	10	10	FECE	
CO[C@]1(CNC(=O)OC(C)(C)C)C[C@H](C(=O)N2CC[C@@H](N=[N+]=[N-])C2)C1	2060637190	IBOZVHDQDRQBTL-HSMVNMDESA-N	353.423	2.218	10	10	FECE	
C[C@@H](CF)NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2080889924	XDQCYHIKJSAJRF-JQWIXIFHSA-N	356.394	2.008	10	10	FECE	
CO[C@@H](CCNC(=O)OC(C)(C)C)C(=O)NCc1cccc(C)c1O	2084058217	DPGPCXISDOBHHD-AWEZNQCLSA-N	352.431	2.247	10	10	FECE	
C[C@@H]1CN(CC(=O)N(C)c2ccc(N)cc2)CCN1C(=O)OC(C)(C)C	2106657328	DPLWMUIKVXIBFC-CQSZACIVSA-N	362.474	2.173	10	10	FECE	
C[C@H]1CCN(C(=O)CCc2ccc(N)cc2)C[C@H]1NC(=O)C(F)(F)F	2106700933	IJTMBTPUMYSAEN-SMDDNHRTSA-N	357.376	2.117	10	10	FECE	
Oc1ccc(CNC[C@@]23CN(Cc4ccccc4)C[C@H]2CCO3)cc1O	2118582226	PSLOIMFQGUFBKA-WIYYLYMNSA-N	354.450	2.479	10	10	FECE	
Cc1ccc(CNC[C@@H]2CN(C(=O)OC(C)(C)C)[C@H]3CCN2C3)c(O)c1	2342885294	ZYOIQPYTBNLTQI-DLBZAZTESA-N	361.486	2.484	10	10	FECE	
Cn1ncc2c(N)nc(NCc3ccc(N4CCSCC4)cc3)nc21	302514191	ABOGCKGIOSQYTE-UHFFFAOYSA-N	355.471	2.111	10	10	FECE	
Cc1cc(C(=O)CN2CC[C@@H](O)C2)c(C)n1-c1ccc2c(c1)OCCO2	114723486	RJCZMKINAPXNQJ-MRXNPFEDSA-N	356.422	2.115	10	10	FECE	
CN(Cc1ccccc1O)C(=O)NCCN1CCc2ccccc2C1=O	190619451	RKNVTZBTIXLILV-UHFFFAOYSA-N	353.422	2.232	10	10	FECE	
COc1cccc(C(=O)N2CCN(c3ccc4c(c3)OCCO4)CC2)c1	41380033	JWGUCHIOSNNMEX-UHFFFAOYSA-N	354.406	2.429	10	10	FECE	
CC[C@H](O)CCNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92437645	ITRONDPXRAPOBF-FQEVSTJZSA-N	374.529	2.179	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1cnsn1	92126544	KQYRPWNQKISFPW-UHFFFAOYSA-N	357.483	2.000	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCO[C@]3(CCO[C@@H]3C)C2)c([N+](=O)[O-])c1	280616988	YRVWYBICQWFCTO-NPTXLEAHSA-N	362.382	2.165	10	10	FECE	
COCC[C@@H]1COCCN1c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-]	292306634	LPCHRYBZMHWYAN-KXQLTZBTSA-N	350.371	2.023	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)C1(N2CCOCC2)CCC1	804736235	OIJKQBJURDATEW-UHFFFAOYSA-N	369.259	2.026	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)c3sccc3F)nc12	815331594	OUEMEJRTHFCLAY-UHFFFAOYSA-N	365.342	2.169	10	10	FECE	
CO[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3cc(-c4ccccc4)ccc3O)C[C@@H]12	827390064	TUYDQSFHOGGPGG-SXLOBPIMSA-N	373.474	2.303	10	10	FECE	
Cc1cc(CN2CC[C@H](NS(C)(=O)=O)C2)ccc1N1CCCCC1	827842868	COZQUDOZBKLBLL-KRWDZBQOSA-N	351.516	2.109	10	10	FECE	
O=C(Cc1ccccc1)N1CCOc2ccc(N3CCOCC3)cc2C1	581789087	MFYAQCVXSGJNQS-UHFFFAOYSA-N	352.434	2.487	10	10	FECE	
O=S1(=O)CCN(Cc2cccc(Br)c2O)[C@H]2CCC[C@@H]21	825203136	XRJKRRPJMPVJPW-STQMWFEESA-N	360.273	2.306	10	10	FECE	
COc1cccc(CNC(=O)Nc2ccc3c(c2)CCN(C)C3=O)c1O	825049943	NGPGEZLFFVKTNW-UHFFFAOYSA-N	355.394	2.351	10	10	FECE	
COc1ccc(N2CCN(CCNc3ccc([N+](=O)[O-])nc3)CC2)cc1	735486393	AYGQDGXMJKZXSX-UHFFFAOYSA-N	357.414	2.233	10	10	FECE	
CS(=O)(=O)NC1(CC2CC2)CCN(Cc2cccc(F)c2O)CC1	581810807	ANRGPIKOFUQRBY-UHFFFAOYSA-N	356.463	2.215	10	10	FECE	
CN(C)c1ccc(CNC(=O)NCc2ccnc(-n3ccnc3)c2)cc1	744272640	WGUMBKWCHMWQAG-UHFFFAOYSA-N	350.426	2.333	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1	841776657	VVLPKABMCZVRFI-BBATYDOGSA-N	371.393	2.075	10	10	FECE	
CC1(C)CCC[C@@H](CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)O1	929526235	KRNSYUHQSZMLTN-SFHVURJKSA-N	373.497	2.367	10	10	FECE	
COC(=O)N1CCC[C@H]([C@H](C)NC(=O)NCc2c(O)cccc2F)C1	922053138	WUVYRSRUPZAILC-RYUDHWBXSA-N	353.394	2.197	10	10	FECE	
CC1(C)C[C@H](N)C[C@H](NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1	925775809	AMUOCEQLTCWAPA-MSOLQXFVSA-N	358.530	2.384	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@]2(CCCCN2)C1	926349460	ZNAOFZQRLSWPLJ-NRFANRHFSA-N	373.497	2.266	10	10	FECE	
Cc1cn2c(n1)C[C@H](C(=O)N(C)Cc1ccc(N3CCOCC3)cc1)CC2	858201383	NFHFCILJJPJACW-GOSISDBHSA-N	368.481	2.249	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2C[C@@H](CN)Cc3ccccc32)cc1	866719974	FVCUPBJSIZVGSP-QGZVFWFLSA-N	352.482	2.006	10	10	FECE	
COC(=O)[C@@H]1O[C@@H](C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C[C@H]1C	868890543	VHIUAXCBLBCOMN-DTTOXWODSA-N	362.470	2.075	10	10	FECE	
Cc1cc(N)cc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1	868226567	DZIMXIMWYGGVKH-UHFFFAOYSA-N	352.438	2.432	10	10	FECE	
COc1ccc(N2CCCN(C(=O)c3ccnc4[nH]cnc34)CC2)cc1	777797016	VBISAEFSDREADB-UHFFFAOYSA-N	351.410	2.319	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)C(=O)Nc1ccnn1C1CCCCC1	774362707	FAAJCEICSZNHAL-UHFFFAOYSA-N	372.425	2.097	10	10	FECE	
C[C@@H](NC(=O)[C@@H](C)N1CC(NC(=O)OC(C)(C)C)C1)c1ccccc1O	1877573357	KAMJDDUTAXYOCD-CHWSQXEVSA-N	363.458	2.167	10	10	FECE	
C[C@H](NC(=O)N(CC(=O)O)C1CCC1)c1ccc(N2CCOCC2)cc1	797714374	IQOWBSSOMMDABF-AWEZNQCLSA-N	361.442	2.233	10	10	FECE	
CCc1noc(C[C@]2(O)CCCN(Cc3cc(F)cc(F)c3O)C2)n1	895375497	SNBVZGCCDYYOOF-QGZVFWFLSA-N	353.369	2.185	10	10	FECE	
Cc1cc(C(=O)NCC(=O)N[C@@H](C)c2ccccc2O)ccc1[N+](=O)[O-]	1302532647	MUMSUQGERHMDIY-LBPRGKRZSA-N	357.366	2.216	10	10	FECE	
CC(=O)[C@@H]1CC(C(=O)NCc2c(O)cccc2F)=NN1c1ccccc1	1156170545	PIXCVZSTEJUGPB-KRWDZBQOSA-N	355.369	2.371	10	10	FECE	
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1	1312318837	ZINNIFYUNJIQCF-QZTJIDSGSA-N	358.486	2.343	10	10	FECE	
CCOCCN1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1CC	1316742316	YFCQTSRWNRIXTC-JKSUJKDBSA-N	361.446	2.468	10	10	FECE	
CN1CCc2cc([C@H](N)[C@H](O)[C@H]3CCCN3C(=O)OC(C)(C)C)ccc21	1892332243	NYTULLNDCJGEHU-FGTMMUONSA-N	361.486	2.439	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)N3CC[C@@H]3[C@@H]3CCCOC3)cc2)CC1	1346122785	AOFNAOGIQUZIKI-UYAOXDASSA-N	372.513	2.149	10	10	FECE	
CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)NCc2ccc(O)c(O)c2)CO1	1445904820	YVJZNYJRXKRPQO-ZIAGYGMSSA-N	365.426	2.241	10	10	FECE	
C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO)c1c(O)cccc1O	2116272780	FNBBJUKFELAHLW-IHRRRGAJSA-N	366.458	2.366	10	10	FECE	
CCN1CC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	1465532410	BTCTYNJTMKBUDT-XJKSGUPXSA-N	353.413	2.467	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCCN(C(=O)c2ccc(F)cc2)CC1	1542904503	KNCQQVKCYCWOLC-UHFFFAOYSA-N	372.396	2.154	10	10	FECE	
CC[C@@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CCS1	1471191549	PNSZYTAZXLMRML-GOSISDBHSA-N	362.543	2.475	10	10	FECE	
O=C(Nc1ccccc1O)C1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1	1624566488	RUZZZUKYGSQECN-UHFFFAOYSA-N	370.405	2.223	10	10	FECE	
COC(=O)[C@@](C)(Cc1ccc(F)cc1)NC(=O)c1ccc(C)c(O)c1O	1636771781	TXDMCBFMDXKLBH-LJQANCHMSA-N	361.369	2.450	10	10	FECE	
Cn1ncc(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)c1CNC(=O)OC(C)(C)C	2124502616	AYSFJOXFNBXRQF-LLVKDONJSA-N	363.422	2.360	10	10	FECE	
C[C@H](C(=O)N1CCC[C@H]1CN=[N+]=[N-])N1CCN(C(=O)OC(C)(C)C)CC1	2124513006	OMQQDWIAUQIOCL-KGLIPLIRSA-N	366.466	2.229	10	10	FECE	
CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CCC[C@@H](N=[N+]=[N-])C2)CC1	2124533388	PHBNWPQCFLWASO-CQSZACIVSA-N	366.466	2.277	10	10	FECE	
C[C@@H](C(=O)NCc1ccc(N2CCN(C)CC2)cc1)N1[C@H](C)CC[C@H]1C	1644526407	KZMYMOXGILASCR-KURKYZTESA-N	358.530	2.316	10	10	FECE	
O=C(NCc1c(O)cccc1F)c1cc([N+](=O)[O-])ccc1SCCO	1645047908	CIDKTMIVAQEJMY-UHFFFAOYSA-N	366.370	2.454	10	10	FECE	
CC[C@@H]1C[C@H]1C(=O)NC[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1	1746619949	FAGPFYORWLPCBA-LALPHHSUSA-N	359.430	2.377	10	10	FECE	
COc1ccc([C@H](C)N=c2nc(CNC(=O)OC(C)(C)C)[nH][nH]2)c(O)c1	2126785547	MQAPKQFFGTUMTD-JTQLQIEISA-N	363.418	2.139	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC[C@@H](c3nncn3C)C2)c([N+](=O)[O-])c1	1772821911	UQSVOHIEVCZUCM-IQCBXXCUSA-N	371.397	2.294	10	10	FECE	
CC[C@H]1SC(=S)N(CC(=O)Nc2ccccc2C(=O)OC)C1=O	11635607	JOWVNJUTRHFUOL-LLVKDONJSA-N	352.437	2.051	10	10	FECE	
CCS(=O)(=O)NC(=S)Nc1cccc2c1C(=O)c1ccccc1C2=O	1858612683	DMZHHVKKDHBRBR-UHFFFAOYSA-N	374.443	2.098	10	10	FECE	
CC(C)CONC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136241001	SYLDZFVYDJEWKJ-ZDUSSCGKSA-N	368.430	2.237	10	10	FECE	
COc1cccc(CNC[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)c1O	2136617804	OXUWRUSIKGUPKH-LJQANCHMSA-N	366.458	2.252	10	10	FECE	
CCOc1cccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1O	1972707452	LVUOWKGSCQDQJS-HUUCEWRRSA-N	366.458	2.251	10	10	FECE	
CN(C(=O)CN1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)c1ccc(N)cc1	2163047304	GKEWIQVPMRCUBX-GASCZTMLSA-N	374.485	2.030	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@H]1NCc1ccc(O)c(O)c1	387910396	YZDYITAWVFHPRX-IEAZIUSSSA-N	364.442	2.258	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNCc1cc(F)ccc1O	394396704	DSQGLTZQXRWFLI-HNNXBMFYSA-N	353.438	2.172	10	10	FECE	
CN1CCc2cc([C@@H](O)[C@@](C)(NC(=O)OC(C)(C)C)C(=O)O)ccc21	2058196935	GXYFVMAIWCURLH-RDTXWAMCSA-N	350.415	2.080	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COCC[C@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2060633071	JPNXYNFRFRADCK-YNEHKIRRSA-N	353.423	2.218	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)O1	283059767	CFSISDJRPBLKJV-ZBFHGGJFSA-N	364.442	2.423	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Cc2ccc(N)cc2)C[C@@H](F)C1	2219134974	ODVFLNYWZHBOJK-HIFRSBDPSA-N	351.422	2.275	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCCC[C@@]2(C(=O)NCCCN=[N+]=[N-])C1	2221344268	ZNTQQYYWFNZOQY-BLLLJJGKSA-N	353.423	2.219	10	10	FECE	
CC(C)(C)OC(=O)N1CC(n2cnc(C(=O)NCc3ccccc3O)c2)C1	2233475289	GDTNNBYUJZGICP-UHFFFAOYSA-N	372.425	2.311	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)NCC1(CN=[N+]=[N-])CC1)[C@H]1CCOC1	2259890223	SAYRIOWMUQBEHO-LBPRGKRZSA-N	353.423	2.219	10	10	FECE	
Cc1cc(C)c(N2C(=O)NC(=O)C(=CNN3CCCCC3)C2=O)c(C)c1	2296933362	HXOVORPFMRVBMJ-UHFFFAOYSA-N	356.426	2.069	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@@H]1COC2(CNC(=O)OC(C)(C)C)CC1C2	2319902747	ZRVPCKBHJOACIP-BWBHSNQOSA-N	353.423	2.075	10	10	FECE	
C[C@@H](NC[C@@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1c(O)cccc1O	2330273849	IEVWGLCOQAULBG-OQMKEHIESA-N	366.458	2.413	10	10	FECE	
COc1cccc(O)c1CN[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21	2330890275	OLKUZYODVWYRIE-JKIFEVAISA-N	364.442	2.125	10	10	FECE	
CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)[C@@H]1[C@@H]2COC[C@@H]21	2341993482	XZGCIGMSOQLCNL-XMTFNYHQSA-N	361.486	2.367	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1[C@@H](C)C(=O)Nc1ccc(N)cc1	2354605704	GTNTVXGWILXDON-MJVIPROJSA-N	372.391	2.127	10	10	FECE	
COc1cccc(N2C(=O)NC(=O)/C(=C\Nc3ccccc3F)C2=O)c1	100369166	JDUFXSOBIQKYFB-JLHYYAGUSA-N	355.325	2.413	10	10	FECE	
CN1C(=O)Cc2cc(N3CCN(C(=O)c4ccccc4F)CC3)ccc21	62576003	XVJMBCSLNPBQCK-UHFFFAOYSA-N	353.397	2.307	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	115280134	YHUKGDTZWKDBBU-AZUAARDMSA-N	366.465	2.292	10	10	FECE	
Cc1cc(C(=O)N(C)CC(=O)N2CCOCC2)c(C)n1-c1cccc(F)c1	68010910	HWUDWBLVYYVFRI-UHFFFAOYSA-N	373.428	2.164	10	10	FECE	
CCNC(=O)N1CC[C@H](NC(=O)N(CC)Cc2ccc(N(C)C)cc2)C1	120538143	XFINHMFRKSKZHZ-INIZCTEOSA-N	361.490	2.088	10	10	FECE	
O=S(=O)(Nc1nc(-c2ccccn2)cs1)c1cnn(CC(F)F)c1	188003486	VVDRITXUMOJCDZ-UHFFFAOYSA-N	371.394	2.468	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCc4cc(O)c(O)cc4C3)C[C@@H]12	2366902271	DDTCRNGSIDJWEM-MNVSYLFESA-N	374.437	2.286	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCO[C@@H](COC(C)C)C2)c([N+](=O)[O-])c1	364221385	WGQPQAAEVIIKJY-KEDPEKRHSA-N	364.398	2.411	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H](CO)c1cccnc1	806432491	MXVLNCQKLZAEFP-GOSISDBHSA-N	354.454	2.257	10	10	FECE	
CCN1CCC[C@H]1CNC(=O)NCc1cc(Br)ccc1O	806855670	UZYAQVHQDFIAQO-ZDUSSCGKSA-N	356.264	2.438	10	10	FECE	
C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)N(c2cc3c(cc2N)OCCO3)C1	2163126930	LUUVGMAXEXFRAM-WDEREUQCSA-N	373.375	2.323	10	10	FECE	
CC(C)[C@H](C)CNC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	803309142	PWJJMAIUSGBABW-HZPDHXFCSA-N	361.486	2.109	10	10	FECE	
NC(=O)c1ccnc(NCc2cc(Br)ccc2O)c1[N+](=O)[O-]	811846685	JVGNGHNWBHDEHK-UHFFFAOYSA-N	367.159	2.169	10	10	FECE	
CN(C)CCC[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CCO1	827856114	LTRHSYZLOXKVMQ-CQSZACIVSA-N	357.838	2.496	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1	822818086	JOKWQXPHKOHXIK-CHWSQXEVSA-N	354.447	2.279	10	10	FECE	
CC1(C)SC[C@@H]1NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	838585838	QEFODRICGMVTQL-AWEZNQCLSA-N	371.453	2.495	10	10	FECE	
CNS(=O)(=O)c1cccc(CNC/C=C\c2ccc(N(C)C)cc2)c1	835035963	NAHMZBKBTJPYSF-ALCCZGGFSA-N	359.495	2.464	10	10	FECE	
C[C@@H](NC(=O)c1cc(C(C)(C)N)no1)c1ccc(N2CCOCC2)cc1	852862903	MOEVIZSYLHYNBE-CYBMUJFWSA-N	358.442	2.196	10	10	FECE	
CCc1nnc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)s1	852346646	LWEMZTIMUUVUET-LBPRGKRZSA-N	361.471	2.187	10	10	FECE	
CN1C(=O)[C@H](NCc2ccc(N3CCOCC3)cc2)Cc2ccccc21	850352831	JNLFQMLBKGKPPG-LJQANCHMSA-N	351.450	2.201	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)N3CCCCC3)C2)cc1	852184892	INHVGGCJNRXIIG-IRXDYDNUSA-N	360.502	2.448	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCCN1C[C@H]2CCCCN2C1=O	852653571	WQUCHGONHMVMFX-GOSISDBHSA-N	373.501	2.184	10	10	FECE	
CCn1nccc1CNC(=O)NCc1cc(Br)ccc1O	852716707	PVYOACPBJXVMKD-UHFFFAOYSA-N	353.220	2.371	10	10	FECE	
COc1ccc(OCCN(C)c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)cc1	757508387	FUFMUJJTOOAQQF-UHFFFAOYSA-N	373.365	2.450	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)Cn1ccc(C(F)F)n1	862039568	GWSBFXOCYFMLSC-UHFFFAOYSA-N	367.352	2.118	10	10	FECE	
Cc1cc(CCNC(=O)N2CC[C@@H](NC(N)=O)C2)c(C)n1-c1ccccc1	762997377	ASPJHJJQLCIMCY-QGZVFWFLSA-N	369.469	2.089	10	10	FECE	
C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@H](C(F)(F)F)O1	761908806	UWRNDPBAKKLIHS-JVXZTZIISA-N	361.276	2.082	10	10	FECE	
COCCN(C(=O)/C=C/c1cnccn1)c1cccc(Br)n1	776358347	DUVHUGNVOLDYHA-AATRIKPKSA-N	363.215	2.327	10	10	FECE	
Cc1cc(CS(=O)(=O)NCc2cc(Br)ccc2O)no1	796190929	NBFHIRGWITWPKM-UHFFFAOYSA-N	361.217	2.071	10	10	FECE	
CN(C)CCCOC1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1	1137200975	XQQYFUWPPMKRKD-UHFFFAOYSA-N	361.446	2.422	10	10	FECE	
CC1=C[C@@H](C)CN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1	797435011	JHACASYFLIBBHT-CRAIPNDOSA-N	370.497	2.496	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc3c(c2)CCO3)[C@@H](CO)C1	2116266360	BVFWOQFCJAKKJD-IAGOWNOFSA-N	362.470	2.329	10	10	FECE	
O=C(CNC(=O)c1cc(F)cc(F)c1)NCc1cc(Cl)ccc1O	1628667511	WKTZFVXQECUFLP-UHFFFAOYSA-N	354.740	2.370	10	10	FECE	
Cc1cc(CN2CC[C@H](CNS(C)(=O)=O)C2)ccc1N1CCCCC1	1560126056	WNJHUBASRBEOCU-GOSISDBHSA-N	365.543	2.356	10	10	FECE	
C[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)N1CSCCSC1	1567468000	XNLWPSJMWHUOPK-NEPJUHHUSA-N	356.513	2.231	10	10	FECE	
C[C@@](CO)(Cn1cnc2ccccc21)NC(=O)/C=C\c1ccc(O)c(O)c1	1637372298	VHSRVXUEPRTJSI-XOYLTFLUSA-N	367.405	2.028	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N(C)Cc1ccccc1O	2124165969	MOKMNDDNVWQHSA-HOCLYGCPSA-N	364.442	2.233	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@H]2CCOC2)n1C[C@](C)(O)C1CC1	1729421078	YRGHWVUBVVLRPK-YWZLYKJASA-N	372.469	2.285	10	10	FECE	
C[C@]1(C(=O)NCc2cc(O)ccc2O)CCCN1C(=O)c1ccccc1	1651222669	LXYKBHAFMRXSPB-HXUWFJFHSA-N	354.406	2.409	10	10	FECE	
COCC[C@@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CCCN1C(=O)OC(C)(C)C	2137439929	KMWQSTAYMYJCAQ-PJIJBLCYSA-N	368.474	2.058	10	10	FECE	
COc1ccc(CN[C@H]2COC[C@H]2CNC(=O)OC(C)(C)C)c(O)c1	2036598856	JMWYUJWNDWIKIZ-HIFRSBDPSA-N	352.431	2.030	10	10	FECE	
CCNCc1ccc(N2CC[C@@H](S(C)(=O)=O)C2)cc1Br	2179912380	YNBQMNOYLQBVKD-CYBMUJFWSA-N	361.305	2.182	10	10	FECE	
CN(c1ccc(N)cc1)S(=O)(=O)c1ccc(N)c(Br)c1	2191762961	BMVNLHJWXNRFGF-UHFFFAOYSA-N	356.245	2.439	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NC(=O)c2cccc(O)c2O)C1	2054413989	MXKAOTFTUICJKD-FORDYWAESA-N	370.427	2.003	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)N2CCC(N=[N+]=[N-])CC2)C1	2060640267	SDVWTZXBDWKZRH-CYBMUJFWSA-N	353.423	2.314	10	10	FECE	
CN(C)CCN(CC(=O)N1CCC[C@@H]1CN=[N+]=[N-])C(=O)OC(C)(C)C	2060616167	XKBFHFWLXRGFRA-CYBMUJFWSA-N	354.455	2.086	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C	2060609849	ALEVTEKVLZGHNH-LBPRGKRZSA-N	351.411	2.004	10	10	FECE	
CC(C)(C)OC(=O)NCCc1n[nH]c(=NCc2c(O)cccc2F)o1	2083286247	CISWVPTUXZHGHT-UHFFFAOYSA-N	352.366	2.016	10	10	FECE	
C[C@H]1CN(CC(=O)Nc2ccc(N)cc2)CC[C@@H]1NC(=O)OC(C)(C)C	2106753822	LCBINEHJSJIDPW-BBRMVZONSA-N	362.474	2.442	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](CNCc2cccc(O)c2O)C[C@H]2COC[C@@H]21	2097563961	AETORRLYIBBGIE-KKUMJFAQSA-N	364.442	2.212	10	10	FECE	
C[C@@H](N)c1ccc(N2CC(S(=O)(=O)C(F)F)C2)c(Br)c1	2206709026	YIUFTMQYNAPRKU-SSDOTTSWSA-N	369.231	2.295	10	10	FECE	
CN(C)c1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1	2297315832	QVRKUYXXUWDPHX-UHFFFAOYSA-N	350.378	2.331	10	10	FECE	
CC(C)(C)N1C[C@@H](NC(=O)C=Cc2ccc(N3CCOCC3)cc2)CC1=O	2297759259	PDGSSNHFYDLPQU-KRWDZBQOSA-N	371.481	2.052	10	10	FECE	
CN(C(=O)C=Cc1ccc(O)c(O)c1)[C@@H]1CCN(Cc2ccccc2)C1=O	2311489272	BOPVBFSEEQFFDG-QGZVFWFLSA-N	366.417	2.371	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](O)([C@@H](N)c2ccccc2O)C(F)(F)C1	2316749804	NUKHBKXHSHMKTG-XJKSGUPXSA-N	358.385	2.399	10	10	FECE	
Cc1ccc2cc(C(=O)NCc3ccc(N4CCNC(=O)C4)cc3)[nH]c2c1	106263370	KOOYTGFRSPMCSP-UHFFFAOYSA-N	362.433	2.343	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1C[C@@H]2CCC[C@H](C1)C2O	172364060	FUJBOPIOLGXZSJ-ZBGXXILWSA-N	356.466	2.156	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)c2cnc3c(C)cccn3c2=O)c1	91075442	XVTWPTIIAKLRMD-LBPRGKRZSA-N	353.378	2.208	10	10	FECE	
CN(C)c1cccc(NC(=S)Nc2ccc(S(N)(=O)=O)cc2)c1	243078316	IPFQLNXGZWRHSS-UHFFFAOYSA-N	350.469	2.209	10	10	FECE	
O=C(CN1C[C@@H](O)C[C@H]1CO)Nc1ccc(N=Nc2ccccc2)cc1	254557145	IOFNPUNBWZVMQP-ROUUACIJSA-N	354.410	2.468	10	10	FECE	
C[C@H](OCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1nccn1C	806823478	VPHRYWPOOSQJKS-RDJZCZTQSA-N	373.453	2.411	10	10	FECE	
Cc1ccc(CNC(=O)c2cnc(CN)s2)c(O)c1Br	2381143023	OJCVGHIPHGXOLF-UHFFFAOYSA-N	356.245	2.308	10	10	FECE	
O=C(NCCOC[C@@H]1CCCO1)NCc1cc(Br)ccc1O	805123919	UNRXGPHOKSKTDM-ZDUSSCGKSA-N	373.247	2.150	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]12[C@@H]3[C@H]4C(=O)[C@H]1[C@@H]1[C@@H]4C[C@@H]3[C@@H]12	800467066	KOSFMJWKXFMSLK-RAOPKFBCSA-N	350.462	2.428	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc(O)c(O)c1)C(F)(F)F	813489681	BVSPDHOUIARFOP-LLVKDONJSA-N	364.320	2.170	10	10	FECE	
COc1ccc(O)c(CNC(=O)C(=O)Nc2cc(F)cc(F)c2F)c1	815496712	RFJFPHRJJOAJKR-UHFFFAOYSA-N	354.284	2.073	10	10	FECE	
COc1ccc(O)c(CN[C@@H]2COC3(C2)CN(C(=O)OC(C)(C)C)C3)c1	827064343	BNTPWMQBVOISQO-AWEZNQCLSA-N	364.442	2.269	10	10	FECE	
CNC(=O)[C@H]1CN(C(=O)/C=C\c2cc(C)n(-c3ccccc3)c2C)CCO1	588420811	WBBQKGPGWMSQTJ-ZBTAVZRMSA-N	367.449	2.081	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)NOCC1CC1	838608374	ODPAESWRWKLDKF-UHFFFAOYSA-N	358.486	2.359	10	10	FECE	
COc1ncncc1CNCc1ccc(N2CCN(CC3CC3)CC2)cc1	842694125	OIJFAWGXMVCSKS-UHFFFAOYSA-N	367.497	2.307	10	10	FECE	
Nc1ccc(CCNC(=O)NC[C@@H](CO)Cc2ccc(F)c(F)c2)cc1	841959035	JNKMFXXLLLUUNW-HNNXBMFYSA-N	363.408	2.240	10	10	FECE	
COc1ccc([C@@H]2[C@H](C(=O)NCc3c(O)cccc3F)CC(=O)N2C)cc1	928705270	IQRBITUJETVAHU-AUUYWEPGSA-N	372.396	2.376	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN3CCCCC[C@H]3C)CC2)cc1	754044080	RMZMETJLHYBNQE-UYAOXDASSA-N	361.530	2.443	10	10	FECE	
CCN(CC)[C@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	852454950	RMGOHSDUFQQJSP-WMZOPIPTSA-N	360.502	2.400	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)C(=O)NCC[C@@H](N)C(C)C)cc2)CC1	851687218	ZZLSJYORVAEQJV-LJQANCHMSA-N	374.529	2.029	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CCN(c3ncns3)CC2)c1O	852127575	SHHRIPWXLCHBLX-UHFFFAOYSA-N	352.847	2.422	10	10	FECE	
O=C(/C=C/COC1CCOCC1)NCc1ccc(N2CCC(O)CC2)cc1	869295248	OWCZFJNFGQTFDD-OWOJBTEDSA-N	374.481	2.016	10	10	FECE	
CN1CCCc2cc(CN3C(=O)N[C@@H](Cc4ccccn4)C3=O)ccc21	761181180	SHEXJQFWRQOMOQ-KRWDZBQOSA-N	350.422	2.127	10	10	FECE	
Cc1scc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1C	870296595	CPCUEHPJDBYLJN-UHFFFAOYSA-N	354.453	2.372	10	10	FECE	
CO[C@H](C)c1cccc(NC(=O)C(=O)NCCc2ccc(O)c(O)c2)c1	774362606	NJYYJFVBABXBET-GFCCVEGCSA-N	358.394	2.103	10	10	FECE	
Cc1nccc(N2CCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)n1	776237649	CYISVAZQWXTUKO-HNNXBMFYSA-N	368.485	2.444	10	10	FECE	
C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCN1C(=O)OC(C)(C)C	1148086865	VGAHFADCEMBBGI-GFCCVEGCSA-N	350.415	2.108	10	10	FECE	
Cc1nnc([C@H](C)NC(=O)NCc2cccc(Br)c2O)o1	1313429957	KKKHIDALTQPMFX-ZETCQYMHSA-N	355.192	2.407	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)N3C[C@H]4C(=O)N(C)C(=O)[C@H]4C3)c2C)c1	1171752630	ZVJWNEVGFVICBG-HDICACEKSA-N	365.433	2.089	10	10	FECE	
COc1ccc(Br)c(CN(C)[C@H](C)CS(C)(=O)=O)c1O	1964572302	NCZNQUDOZCGCJY-SECBINFHSA-N	366.277	2.028	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NC2CC3(C2)CC3(F)F)cc1	1347451395	SRSPDJOOJGAEKP-UHFFFAOYSA-N	365.424	2.453	10	10	FECE	
CC[C@@H](CN(C)C[C@H](O)COc1ccc(N)cc1)NC(=O)OC(C)(C)C	2116685860	SFDOATMAEJDDSK-HOTGVXAUSA-N	367.490	2.244	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(C(C)=O)c[nH]1	1446815126	IRODTPUHAWKLOX-UHFFFAOYSA-N	364.785	2.392	10	10	FECE	
COc1ccc(CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2CO)c(O)c1	2116266985	QOPRTBLZALDDGI-HOCLYGCPSA-N	366.458	2.108	10	10	FECE	
O=C1CCC(=O)N(c2ccc(C(=O)NCc3cccc(Cl)c3O)cc2)N1	1457038314	RARXLLKSMDLGAS-UHFFFAOYSA-N	373.796	2.134	10	10	FECE	
COC(=O)COc1c(C)cc(C(=O)NCc2ccc(O)cc2O)cc1C	1469158989	IWGQKGUBBQHOHL-UHFFFAOYSA-N	359.378	2.196	10	10	FECE	
CCN(C(=O)NCCc1c(C)n2c3c(cccc13)CCC2)[C@H]1COC[C@H]1O	1616106329	SHCYARMVZIPIQP-RBUKOAKNSA-N	371.481	2.230	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CCNC(=O)c1ccc(F)cc1	1623574651	VWVYNDOWPUZKHL-UHFFFAOYSA-N	365.401	2.453	10	10	FECE	
COC(=O)[C@@](C)(CO)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C	1556975835	WXAWNVFWWOIJHY-GOSISDBHSA-N	364.829	2.401	10	10	FECE	
C[C@@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(O)c(O)c1	1624065040	HGYUAXSFLCZRSM-CHWSQXEVSA-N	364.442	2.497	10	10	FECE	
CCN(C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1)CC(F)(F)F	1635213479	DKZXAWLAXJLJQX-CYBMUJFWSA-N	360.376	2.373	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)N1CSCCSC1	1567468001	XNLWPSJMWHUOPK-NWDGAFQWSA-N	356.513	2.231	10	10	FECE	
COC(=O)[C@@](C)(Cn1cnc2ccccc21)NC(=O)c1cc(O)cs1	1645543258	BTDJOGBJKZUVAB-QGZVFWFLSA-N	359.407	2.165	10	10	FECE	
CC[C@@H]1C(=O)NCCN1c1nnc(C)n1Cc1ccc(N(CC)CC)cc1	1764993914	AWLOWXXHDSDEFO-GOSISDBHSA-N	370.501	2.196	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)O[C@@H](C)CNS(C)(=O)=O	152981354	QMYVQYSDMLEMAX-LBPRGKRZSA-N	356.469	2.250	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CC[C@@H](CO)CC1	126503523	YHVDVYNPZBOPJI-KOMQPUFPSA-N	365.449	2.013	10	10	FECE	
Cc1ccc(C)n1[C@@H](CC(=O)OC[C@@H]1CNC(=O)CO1)c1ccc(F)cc1	1852169212	ZAHSGFOSYHSGDG-ROUUACIJSA-N	374.412	2.282	10	10	FECE	
O=C(O)Cc1csc(CC(=O)NCc2c(O)ccc3ccccc23)n1	8017736	AXOMZJDBKNNRDM-UHFFFAOYSA-N	356.403	2.488	10	10	FECE	
CN1CCC(CNC(=O)OC(C)(C)C)(NCc2ccc(O)c(O)c2)CC1	2130840025	YXKVHPCCHVTFDX-UHFFFAOYSA-N	365.474	2.177	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)O[C@@H]1CCCNC1	1951941110	SAVWIHVMJGFFHV-CJNGLKHVSA-N	352.431	2.260	10	10	FECE	
COC(C)(C)[C@H](N)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	1952207760	FWAUFKQQIJZFEM-SWLSCSKDSA-N	354.447	2.286	10	10	FECE	
O=S1(=O)CCC[C@@H]2CN(Cc3c(O)cccc3Br)C[C@H]21	2145074651	WCLONHVFXMWMQN-QMTHXVAHSA-N	360.273	2.164	10	10	FECE	
CC(C)(C)OC(=O)N[C@](C)(C(=O)C(=O)C[C@H]1C[C@H](N)C1)C(F)(F)F	2003167554	CHRDDMJHTNXZDY-RFXMVYNHSA-N	352.353	2.098	10	10	FECE	
Nc1ccc(CC(=O)N2CC[C@](COCc3ccccc3)(C(=O)O)C2)cc1	2159937557	UJKNMKSSIRAYKH-NRFANRHFSA-N	368.433	2.331	10	10	FECE	
CN[C@H](C)c1ccc(N2CC[C@@H](S(C)(=O)=O)C2)c(Br)c1	2179926905	RBHNQKKGEDDOOV-ZYHUDNBSSA-N	361.305	2.353	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)N2CCC[C@H](N=[N+]=[N-])C2)C1	2060619183	JVPCLSJRYXVKAJ-OLZOCXBDSA-N	353.423	2.171	10	10	FECE	
COc1cc(Cl)cc(CNC[C@](C)(CO)NC(=O)OC(C)(C)C)c1O	2060807872	USSJTOWGEOELDK-QGZVFWFLSA-N	374.865	2.420	10	10	FECE	
CC(C)(C)OC(=O)N[C@](C)(CO)CNCc1ccc2c(c1)CCCO2	2060802479	PKBXXUMQWMBYNS-IBGZPJMESA-N	350.459	2.377	10	10	FECE	
COCC[C@]1(C(=O)NCCCN=[N+]=[N-])CCN(C(=O)OC(C)(C)C)C1	2082284091	CQQACNYTLGSEFE-MRXNPFEDSA-N	355.439	2.467	10	10	FECE	
CN1CCCc2cc([C@@H](O)CN3CC(NC(=O)OC(C)(C)C)C3)ccc21	2112983070	GPESVSAWUIBCLR-SFHVURJKSA-N	361.486	2.311	10	10	FECE	
COc1cccc(C=C(C(=O)Nc2ccc(N)cc2)n2nnnc2C)c1	2301561984	UWHPUBPOGXWXNS-UHFFFAOYSA-N	350.382	2.209	10	10	FECE	
Cn1c(CCNC(=O)C=Cc2ccc(O)c(O)c2)nc2c(F)cccc21	2307987138	GNBCOBUWIINZDX-UHFFFAOYSA-N	355.369	2.496	10	10	FECE	
C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCc2cc(O)c(O)cc2C1	2318655662	RQFADUNFEYXBQW-LLVKDONJSA-N	350.415	2.143	10	10	FECE	
C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(O)c(O)cc2C1	2341191498	CXXBCLXNNMQLMI-ZUZCIYMTSA-N	368.405	2.234	10	10	FECE	
O=C(NCCc1ccccc1O)NCc1ccc(N2CCOCC2)c(F)c1	171643606	XISDYYWXCVXFMO-UHFFFAOYSA-N	373.428	2.410	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N1CCC[C@@H]1Cn1ccnc1	254949943	GSRSEUVOEVMGJU-DASIIQCKSA-N	366.465	2.424	10	10	FECE	
COC(=O)c1ccc(CN2CCN(c3ccc(OC)c(F)c3)CC2)nc1	286420867	MHZOBNMTRDLKBB-UHFFFAOYSA-N	359.401	2.338	10	10	FECE	
COc1cc(N2CCN(C(=O)N[C@@H]3CC[C@H]3C)CC2)cc(OC)c1OC	805866415	MCCYWSFYRSJWDY-UKRRQHHQSA-N	363.458	2.343	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(CCc3ccc(N)cc3)CC2)C1	2162951255	NKSADKHNEFLBIW-LJQANCHMSA-N	374.529	2.438	10	10	FECE	
CCOC(=O)C1(O)CCN(Cc2ccc(Br)cc2O)CC1	824849952	JLYKELUYWOCAAX-UHFFFAOYSA-N	358.232	2.045	10	10	FECE	
CC(=O)c1ccc2c(c1)CCN(C(=O)C(=O)Nc1ccc(N)cc1)CC2	841075858	ZCFLKAUAAWGKEO-UHFFFAOYSA-N	351.406	2.037	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2C[C@@H]3C[C@@]3(c3ccccc3)C2)c1	927307420	NYZVOFAZTNVRJD-LIRRHRJNSA-N	372.446	2.177	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3ccc(CCN)cc3)C2)cc1	851661861	QHSSURHLFFNGAJ-GOSISDBHSA-N	368.481	2.275	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@]1(O)C[C@H]2C=C[C@H]1C2	853436401	WNTXWGNRYKBSCD-ZWOKBUDYSA-N	373.522	2.366	10	10	FECE	
COc1ccc(N(CC(=O)O)CC(=O)NCC[C@]2(C)CC2(F)F)cc1	853011081	SFJOQAIJQTVWBP-MRXNPFEDSA-N	356.369	2.138	10	10	FECE	
CC[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1c(C)nn(C)c1C	754435138	YLRPILDYFLRNAC-SFHVURJKSA-N	357.502	2.460	10	10	FECE	
CNCCCC(=O)N1CCC(NC/C=C\c2ccc(N(C)C)cc2)CC1	853248223	OPZRDRANJCBIAF-XQRVVYSFSA-N	358.530	2.346	10	10	FECE	
C[C@H](NC(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1)c1ccc(N(C)C)cc1	854005103	ZWEOKZGPODOHSV-VNHYZAJKSA-N	353.488	2.079	10	10	FECE	
C[C@@H](NC(=O)N[C@H](C)c1nccn1C)c1ccc(N2CCOCC2)cc1	852012260	HLXGZGXWPAWTJH-HUUCEWRRSA-N	357.458	2.378	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H](O)c3cccc(OC)c3)C2)cc1	855234300	WWTVDCCEUNHHPS-DNVCBOLYSA-N	356.422	2.132	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1c[nH]nc1[C@H]1CCCO1	864930462	BXXPLEDAFUQLPU-QGZVFWFLSA-N	374.416	2.167	10	10	FECE	
COc1ccc(N2CCN(CN3Cc4c(OC)cccc4C3=O)CC2)cc1	863254827	GQJNQUWVYOPUQK-UHFFFAOYSA-N	367.449	2.439	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(C)nn1CC	861694055	IFCFUGALDXLRFT-UHFFFAOYSA-N	357.458	2.265	10	10	FECE	
Cc1ccc(O)c(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)c1	862757202	LDXQDVLIHJJGAR-INIZCTEOSA-N	354.406	2.327	10	10	FECE	
COC(=O)c1cc(F)c(C)c(S(=O)(=O)NCc2ccccc2O)c1	770255044	URUVDRONDQSKFO-UHFFFAOYSA-N	353.371	2.105	10	10	FECE	
O=C1C[C@@H](C(F)(F)F)[C@H](C(=O)NCc2c(O)ccc3ccccc23)CN1	1304090303	DBOKEFGSVFMXTA-ZIAGYGMSSA-N	366.339	2.476	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3[C@H]4CCCO[C@H]43)cc2F)C[C@@H](C)O1	1264689611	YMWWKHPHRZSKCM-BKLVVLCVSA-N	362.445	2.481	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1csc2cncn12	1299699089	NVROWILRVLMACW-UHFFFAOYSA-N	359.407	2.307	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCC3(CCC3)S(=O)(=O)CC2)cc1	1299421876	LFEYCBIXYPQTTF-UHFFFAOYSA-N	364.427	2.032	10	10	FECE	
Cc1[nH]nc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1O	1464309555	MYIPHPHJPOGTQY-GHMZBOCLSA-N	362.405	2.106	10	10	FECE	
COc1cc(N2CCN(C[C@H]3CCCC[C@@H]3O)CC2)cc(OC)c1OC	1617064036	PCINNUXUKGXATO-WBVHZDCISA-N	364.486	2.386	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)Cn1nc(-c2ccccc2)oc1=O	1627026522	MSXJIYZDJKPKNT-UHFFFAOYSA-N	374.393	2.011	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)Nc2ccc(N)cc2)C[C@H]1CO	2122353537	YSKWCFKFRWOXDL-WFASDCNBSA-N	364.446	2.008	10	10	FECE	
CN(C[C@H](O)COCc1ccccc1)C(=O)c1ccc(N=NC(N)=O)cc1	1638544313	AVOWQERPRXKUQL-KRWDZBQOSA-N	370.409	2.499	10	10	FECE	
CC(C)(C)OC(=O)[C@H](Cc1ccncc1)NC(=O)Cc1ccc(O)c(O)c1	1640068376	NFDZUHCSVFDPCH-HNNXBMFYSA-N	372.421	2.105	10	10	FECE	
COC(=O)c1cc(C2CCN(C(=O)c3c(F)ccc(O)c3O)CC2)no1	1648988577	WILILXUCDCBDSG-UHFFFAOYSA-N	364.329	2.031	10	10	FECE	
Cn1nccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N=[N+]=[N-])CC1	2124513132	AIWVMPLTNJEIAX-CYBMUJFWSA-N	363.422	2.287	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2124509479	NPABPXSFJUNTHW-MELADBBJSA-N	367.450	2.296	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@]34CCC[C@]3(OC)OCC4)C2)cc1	1587112397	FZENDEZAMHINIP-XPGWFJOJSA-N	360.454	2.323	10	10	FECE	
COC(=O)c1ccc(=Nc2cccc3c2C(=O)c2ccccc2C3=O)[nH]n1	1859832744	JUPJYEDXUSVQFR-UHFFFAOYSA-N	359.341	2.204	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3ccco3)CC2)cc1	1862036678	IKUOKWBZSXEIHU-UHFFFAOYSA-N	371.437	2.145	10	10	FECE	
CN(C)[C@@H](CNC(=O)c1cc(O)c(O)c(O)c1)c1ccc(Cl)cc1	1865875885	KUTGNXOOWMNOGC-ZDUSSCGKSA-N	350.802	2.490	10	10	FECE	
CCOC(=O)C1CCN(C(=O)CCNCc2cc(Cl)ccc2O)CC1	1857864903	MLNZFZLZEHSYQJ-UHFFFAOYSA-N	368.861	2.327	10	10	FECE	
C[C@@H](c1ccc(O)cc1O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O	2136357128	HRSXDUIPDLMGLJ-FZMZJTMJSA-N	366.414	2.165	10	10	FECE	
COC(=O)C=Cc1ccc(N2CC[C@@H](C)[S@](=O)CC2)c([N+](=O)[O-])c1	2054096829	MXAPSEHZAQSUQD-OIRASMEMSA-N	352.412	2.128	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1	2054411379	XTXVEUYCZXRBKA-WCQYABFASA-N	350.415	2.473	10	10	FECE	
CO[C@H](C)[C@H](CC(=O)N1CC[C@@H](CN=[N+]=[N-])C1)NC(=O)OC(C)(C)C	2060613543	SEHFPUJRCNPPMH-AGIUHOORSA-N	355.439	2.464	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060613453	RLHOJHVCCUGDRP-RWMBFGLXSA-N	353.423	2.218	10	10	FECE	
COCC[C@H](CNC(=O)Nc1ccc(N)cc1)NC(=O)OC(C)(C)C	2218567279	JVAFARNFKVMIHT-CQSZACIVSA-N	352.435	2.320	10	10	FECE	
Cc1cc(C=C2SC(=S)N([C@H](C(=O)O)[C@@H](C)O)C2=O)ccc1F	2323823375	BGQCMIOJYAXTMR-PELKAZGASA-N	355.412	2.169	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NCc3ccccc3O)CO[C@@H]1C2	2334204928	KDGDBAFFOLDUMI-MUKKUYKPSA-N	362.426	2.081	10	10	FECE	
CN(CC(=O)Nc1ccc(N)cc1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F	2343613415	MUWLKWQHUWMEIB-CABCVRRESA-N	366.437	2.097	10	10	FECE	
CC(C)NS(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	62370893	QHTCKJJIHGZSQZ-GOSISDBHSA-N	368.547	2.112	10	10	FECE	
COCCN1[C@H](C)CN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@H]1C	124204797	RCZAWZMUFLBJNM-IAGOWNOFSA-N	374.529	2.320	10	10	FECE	
Cn1cc(NC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)cn1	91922783	BXEXFTLZPKLOFT-UHFFFAOYSA-N	368.485	2.274	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O	249390950	BREICVMSDHZRBI-NXJYUQPGSA-N	373.522	2.151	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC(NC(=O)C3CC3)CC2)c([N+](=O)[O-])c1	255134106	LMQLIUXTLNKSDW-CLTKARDFSA-N	373.409	2.276	10	10	FECE	
COCCO[C@H]1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1	275764776	GBBZYMODEBWGMT-YVZNUBBCSA-N	350.371	2.023	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1	364938484	COVDANHEQLKFLA-OAGGEKHMSA-N	368.437	2.342	10	10	FECE	
O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(C(=O)NCc5cccc(Br)c5O)[C@H]1[C@H]3[C@@H]42	800555154	PPNOFSLCGXRXOZ-OLBNOBFYSA-N	374.234	2.098	10	10	FECE	
CCNCc1ccc(N(C)CCCS(C)(=O)=O)cc1Br	710674337	LSKBYERNJXNQMX-UHFFFAOYSA-N	363.321	2.430	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)NCC(=O)Nc1ccn(C)n1	819525807	RQIRPJCPWZJIBV-UHFFFAOYSA-N	357.439	2.258	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)CCC3=O)cc1F	835103424	LPBBDEAPTRIIKO-UHFFFAOYSA-N	369.396	2.276	10	10	FECE	
C[C@@H](NC[C@@H]1CCCCN1CCO)c1ccc(N2CCOCC2)c(F)c1	834851191	VQBFTFGOYLRQKE-AEFFLSMTSA-N	365.493	2.160	10	10	FECE	
CC(C)CC(=O)N1CCC(NC(=O)NCc2c(O)cccc2F)CC1	915686943	HROOCCGXBMFOLE-UHFFFAOYSA-N	351.422	2.368	10	10	FECE	
COC[C@]1(C(=O)OC)CCCN1C(=O)c1cc2cc(O)c(O)cc2s1	912311293	ODHVZYRHCNCMRS-KRWDZBQOSA-N	365.407	2.107	10	10	FECE	
COC(=O)[C@H]1CSCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	840976434	FMZNSCDZPAVAID-OAHLLOKOSA-N	368.474	2.000	10	10	FECE	
COc1cc(Br)cc([C@@H](C)N[C@H](C)C(=O)NCCF)c1O	848548917	MCZHKJIETGHDQJ-RKDXNWHRSA-N	363.227	2.288	10	10	FECE	
Cc1cc(C(=O)CN2CC[C@H](CN)C2)c(C)n1-c1ccc2c(c1)OCO2	843348422	NAWBGWIQDNXWHM-OAHLLOKOSA-N	355.438	2.286	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCc1ccc(O)c(O)c1	827085137	LNKAZARSGPQXBC-TZMCWYRMSA-N	364.442	2.260	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3cc(C)cnc3C)C2)cc1	850536428	FREKPAMIONIARE-OAHLLOKOSA-N	368.437	2.041	10	10	FECE	
Cc1cc(CCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)nn1C	925221290	LQXYSHSODTWXQY-UHFFFAOYSA-N	362.817	2.094	10	10	FECE	
COC(OC)[C@@H](C)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	923676658	UEYMPBZWSOOMMR-HIFRSBDPSA-N	352.431	2.090	10	10	FECE	
CC(C)(CNC(=O)NCc1c(O)ccc2c1CCCC2)CS(C)(=O)=O	926735163	CYGDOXIPQZBXBG-UHFFFAOYSA-N	368.499	2.141	10	10	FECE	
CO[C@H]1CCn2cc(C(=O)NCc3ccc4c(c3)CCCN4C)nc2C1	865055037	XROCGCRKBFRRKB-INIZCTEOSA-N	354.454	2.157	10	10	FECE	
Cc1cc(Br)c(O)c(CNCC(=O)NCc2ccco2)c1	781627746	VAQAMGSVUGNFMX-UHFFFAOYSA-N	353.216	2.462	10	10	FECE	
Cc1cc(C(=O)CN2C[C@H](C)O[C@@H](CO)C2)c(C)n1-c1ccc(F)cc1	787314233	CPAPYLNPVIQIOK-KBXCAEBGSA-N	360.429	2.498	10	10	FECE	
COc1ccc(N2CCN(C(=O)CCc3ccc(OC)nc3)CC2)cc1	887636419	VNCPZMRTFRVTCZ-UHFFFAOYSA-N	355.438	2.380	10	10	FECE	
CCN(CC(F)(F)F)C(=O)CN(C)CCN(C)c1ccc(OC)cc1	1307897304	MTNBYOZWIYKULJ-UHFFFAOYSA-N	361.408	2.474	10	10	FECE	
COc1cc(C)cc(CN2CCC(NC(=O)c3cc(C)on3)CC2)c1O	1319468319	UPULUYUWJNDHQH-UHFFFAOYSA-N	359.426	2.400	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)C3(n4cccn4)CC3)cc2F)C[C@@H](C)O1	1334178197	ZFAMIZCQXDNGSM-GASCZTMLSA-N	372.444	2.441	10	10	FECE	
C[C@@H](NC(=O)N1CCC([C@@H](F)C(N)=O)CC1)c1ccc(N(C)C)cc1	1519306958	AXRNPDNSDCQWHH-MLGOLLRUSA-N	350.438	2.059	10	10	FECE	
COC(=O)[C@@H]1CO[C@H](CCC(=O)Nc2c(Cl)ccc3nonc23)C1	1539054401	QRIXOQITDDDTPJ-DTWKUNHWSA-N	353.762	2.173	10	10	FECE	
COCC1(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)CN(C(=O)OC(C)(C)C)C1	2124518074	TVTMOEKDXNDEIW-CYBMUJFWSA-N	367.450	2.419	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC(N=[N+]=[N-])C2)C[C@@H]2COCC[C@@H]21	2124538386	JDQNFXUXHZKGQD-BZPMIXESSA-N	365.434	2.170	10	10	FECE	
O=C(C[C@H](c1ccccc1)N1CCOC1=O)NCc1c(O)cccc1O	1635847174	JIJSGEXULFSFIE-OAHLLOKOSA-N	356.378	2.298	10	10	FECE	
CS(=O)(=O)CC1CCC(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1	1569568202	CQIMZSSTWCUAEG-UHFFFAOYSA-N	366.443	2.182	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c(C(=O)NC(C)C)nnc1N1CCCC1	1761698120	RNDUUYZWCSGCCE-UHFFFAOYSA-N	370.501	2.439	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(Cc2cc(F)ccc2O)C1	1972303411	OQPPQSNMOZVOBR-KGLIPLIRSA-N	368.405	2.474	10	10	FECE	
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccc(O)c(O)c1	2054397637	JZXAGJHFESPBCI-YPMHNXCESA-N	350.415	2.473	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060634178	WOOCIJDLODDCFY-FRRDWIJNSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@]12CCN(CC(=O)Nc1ccc(N)cc1)C2	2106758690	ZSIQONFLOANHHD-LJQANCHMSA-N	360.458	2.293	10	10	FECE	
CO[C@H]1CN(CCCOc2ccc(N)cc2)C[C@H]1NC(=O)OC(C)(C)C	2122656615	XQRGNTWYBCENES-SJORKVTESA-N	365.474	2.262	10	10	FECE	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=O)N(C)C2=O)o1	2297329233	XPIHPKHYLBOHCT-UHFFFAOYSA-N	355.306	2.255	10	10	FECE	
CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H](CN)[C@@H]1[C@@H]2COC[C@@H]21	2341993479	XZGCIGMSOQLCNL-MHORFTMASA-N	361.486	2.367	10	10	FECE	
COc1ccc(C(=O)NCC(=O)NCc2ccc3c(c2)CCCN3C)cc1	57558783	WVWWSVQYVPJIPF-UHFFFAOYSA-N	367.449	2.124	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCN(C(C)=O)C1	175410767	DEGYJMOLHBBIOZ-LBPRGKRZSA-N	369.259	2.372	10	10	FECE	
COc1ccc(N2CCCN(S(=O)(=O)N3CCC[C@@H](C)C3)CC2)cc1	56128654	MRTDQAYPAVLJGX-MRXNPFEDSA-N	367.515	2.184	10	10	FECE	
Cc1cccc(N/C=C2/C(=O)NN=C2c2c(O)c3ccccc3n(C)c2=O)c1	100261033	GLOKSBSAEWYJPY-RVDMUPIBSA-N	374.400	2.382	10	10	FECE	
O=C1CN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccccc3F)cc2)CCN1	106263480	DZJSEVORSDQROB-ZWKOTPCHSA-N	367.424	2.182	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)CC(C)(C)S(C)(=O)=O	121579579	PFFKEGBZBBFDKH-UHFFFAOYSA-N	355.504	2.026	10	10	FECE	
COc1cccc(CCNC(=O)CN[C@@H](C)c2cc(OC)ccc2O)c1	182414893	HAXPZBJXAQQDDG-AWEZNQCLSA-N	358.438	2.419	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NCc1cc(F)ccc1O	380867092	ZGGOPDJYMZLZBU-LCGIIJARSA-N	352.406	2.302	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O	808507966	LVEAMYIZTNNKES-JTQLQIEISA-N	358.177	2.048	10	10	FECE	
CC[C@@H]1C[C@@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCO1	817877865	FYWHJBCMNVBVQM-QFBILLFUSA-N	373.497	2.317	10	10	FECE	
C[C@H](NC(=O)C(=O)Nc1cn(C)nc1C1CC1)c1ccc(N(C)C)cc1	812982553	WKPMFALUHLIOHG-LBPRGKRZSA-N	355.442	2.179	10	10	FECE	
Cc1ccn2cnc(C(=O)NCc3ccc(N4CCOCC4)cc3)c2c1	823292334	NYYOPLDGQWAFNY-UHFFFAOYSA-N	350.422	2.409	10	10	FECE	
Cc1cc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)nc(C)n1	837707861	DRYISVCUOWYUBD-UHFFFAOYSA-N	362.380	2.138	10	10	FECE	
COCc1noc(CN2CCN(C/C=C/c3ccc(N(C)C)cc3)CC2)n1	835046200	UDVFLBDTRSCCSP-SNAWJCMRSA-N	371.485	2.113	10	10	FECE	
C[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O)c1ccc(N2CCOCC2)cc1	920866480	CXOUXAQXVBHHBX-WBAXXEDZSA-N	358.438	2.367	10	10	FECE	
C[C@H](N[C@@H]1CCN(C2CCC2)C1=O)c1ccc(N2CCOCC2)c(F)c1	858602515	AUBPHOYYRZOAMA-KBXCAEBGSA-N	361.461	2.466	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)Nc3ccccc3)C2)cc1	852453337	KZGYBJBOPQQUSP-INIZCTEOSA-N	368.437	2.212	10	10	FECE	
Cc1cc(C(=O)CN2C[C@@H](C)[C@@H](O)C2)c(C)n1-c1ccc2c(c1)OCO2	768767133	BXAHSQMXXUQICJ-PXAZEXFGSA-N	356.422	2.318	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CCO[C@]3(CCOC3)C2)c1O	768906273	RPGXZRQUXGQRFL-HXUWFJFHSA-N	357.406	2.323	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)C[C@@H]3CCC3(F)F)C2)cc1	867498339	XXKHZTSCJZZLKG-STQMWFEESA-N	360.426	2.239	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@H]2CCOC2=O)C1	769664531	GPCFKWFESSXWFU-SFHVURJKSA-N	356.422	2.267	10	10	FECE	
CO[C@@H](C)c1noc(CN(C)Cc2ccc(N3CCN(C)CC3)cc2)n1	775736339	DWROUWLIWGOEEZ-HNNXBMFYSA-N	359.474	2.161	10	10	FECE	
COC(=O)[C@H](NCc1cc(OC)ccc1O)c1ccc(OC)cc1OC	779182181	VRGQLGKILAVMGY-GOSISDBHSA-N	361.394	2.422	10	10	FECE	
O=C(c1ccccc1)N1C[C@@H](CNCc2cc(F)ccc2O)N2CC[C@H]1C2	779101392	MSBSQOCODFARST-RBUKOAKNSA-N	369.440	2.220	10	10	FECE	
CCOC(=O)[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H]1C(F)(F)F	881467359	YLSHLEUVHFTQNO-HTQZYQBOSA-N	365.279	2.051	10	10	FECE	
CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cc2cc(O)c(O)cc2s1	896612517	HRBDNSIUFMTEPI-ZDUSSCGKSA-N	364.467	2.495	10	10	FECE	
COc1cccc(CNC(=O)C[S@@](=O)c2ccc(Cl)cc2)c1O	1150543993	WQFBAFYBDOPEKV-HSZRJFAPSA-N	353.827	2.478	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(OC)c(C)c1	1153663139	GPPHCENDNXLEHB-HNNXBMFYSA-N	373.405	2.319	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCO[C@@]2(CCSC2)C1	1328119185	KFLWJKHFVCFUEE-IBGZPJMESA-N	359.495	2.480	10	10	FECE	
Cc1cc(N2C[C@H](C(=O)NCc3cccc(O)c3O)CC2=O)ccc1F	1350300359	PXLGZBIGELTSEH-CYBMUJFWSA-N	358.369	2.215	10	10	FECE	
O=C(C(=O)N1Cc2cccc(O)c2C1)N1CCC(c2ccc(O)cc2)CC1	1351817795	ZKXKRBMSRJMBPM-UHFFFAOYSA-N	366.417	2.346	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)Nc2cccc(CN3CCOCC3)n2)cc1	1447126032	XABHZIPIVAMYHL-UHFFFAOYSA-N	368.397	2.329	10	10	FECE	
O=C(NCc1cccc(O)c1O)[C@H](O)Cc1cccc(C(F)(F)F)c1	1455317236	SSXHUYKXZDWPMF-CQSZACIVSA-N	355.312	2.336	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccccn3)CC2)c(OC)c1	1530967458	CZFKGXUKQNKAGH-HNNXBMFYSA-N	371.437	2.215	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@@](C)(O)C1CC1	1466398178	JWOWYYSTHODGIR-QGZVFWFLSA-N	355.818	2.098	10	10	FECE	
CCC/C=C/[C@H](O)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O	1546151682	CUNZQVTWRDHEOV-NFAHFFEMSA-N	355.818	2.264	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@H](NC(N)=O)c1ccccc1	1623574516	QCJKABSGPGLACM-AWEZNQCLSA-N	362.426	2.294	10	10	FECE	
Cn1cc([C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C2(CO)CCC2)cn1	1624823342	IGBPXHPWNJWXSQ-HNNXBMFYSA-N	370.413	2.216	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCC(N=[N+]=[N-])CC2)CC1	2124540085	CVFPCGJMXYVJMI-UHFFFAOYSA-N	367.450	2.440	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(C(=O)NCC2(CN=[N+]=[N-])CC2)C1	2124509897	PWUZBQHCNHJVJM-PXAZEXFGSA-N	365.434	2.219	10	10	FECE	
C[C@@H]1NC(C(=O)NCc2cc(Cl)ccc2O)=NN(c2ccccc2)C1=O	1583818199	YGEZDWCNKDLLQK-NSHDSACASA-N	372.812	2.000	10	10	FECE	
CN(CCN1C(=O)c2ccccc2C1=O)Cc1cc([N+](=O)[O-])ccc1O	158971869	GXPQQLUFOCSFHR-UHFFFAOYSA-N	355.350	2.028	10	10	FECE	
O=C(NCCCSc1nccs1)N1CCC(n2cncn2)CC1	154605844	RASFTFQWBGGGJF-UHFFFAOYSA-N	352.489	2.264	10	10	FECE	
COc1ccc(N2CCN(Cc3ccc(N(C)C)nc3)CC2)c(OC)c1	1139461617	WIJZARHYWPWENY-UHFFFAOYSA-N	356.470	2.487	10	10	FECE	
CCN[C@@H](c1ccccc1O)[C@H](O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	2136023631	JAZAADZNEZXSCM-IXDOHACOSA-N	366.458	2.040	10	10	FECE	
C[C@@H](c1ccc(O)cc1O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C1	2136339867	VPSPIPVAPQVIPY-BBATYDOGSA-N	366.414	2.213	10	10	FECE	
COc1ccc([C@H](C)N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)c(O)c1	2032622627	HTJYSVKVACIWRJ-TUKIKUTGSA-N	352.431	2.344	10	10	FECE	
CN1CCCc2cc(C=CC(=O)OCC(=O)NC(=O)NC(C)(C)C)ccc21	2042455163	HVUVDUQOVZYETJ-UHFFFAOYSA-N	373.453	2.250	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(c2cc(CO)c([N+](=O)[O-])cc2F)CC1	2059563100	ZRKJWYWRADBHRL-UHFFFAOYSA-N	355.366	2.283	10	10	FECE	
C[C@H]1[C@H](C)S(=O)(=O)CCN1c1ccc(CN)c(Br)c1F	2170279892	PDJQPNJMPPVNAU-IUCAKERBSA-N	365.268	2.059	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)N1CCC[C@H](N=[N+]=[N-])C1	2060635239	JVMHTVMBKQWBTB-STQMWFEESA-N	353.423	2.314	10	10	FECE	
COC(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2060614062	YAYYSLHWYRFNKW-NEPJUHHUSA-N	355.439	2.464	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)[C@H](CN(C)C)NC(=O)OC(C)(C)C	2106850644	KUPRBOBUPGRAAL-FUHWJXTLSA-N	362.518	2.394	10	10	FECE	
CCN[C@H](c1ccccc1O)[C@@H](NC(=O)OC(C)(C)C)c1cn(C)nn1	2110395841	AKLVEXQPHBGMFQ-CVEARBPZSA-N	361.446	2.437	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)[C@H](CNCc2ccc(F)c(F)c2O)C1	2098266397	PAQNZSRKJXWQHY-CYBMUJFWSA-N	371.428	2.311	10	10	FECE	
CNC(=O)CN(Cc1ccccc1)c1ccc(CNCCOC)c(OC)c1	2204545797	UEJCUQOLCJJLIP-UHFFFAOYSA-N	371.481	2.184	10	10	FECE	
CO[C@]1(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])CCN(C(=O)OC(C)(C)C)C1	2218741258	CAXUNXGUUCDWPK-XHBSWPGZSA-N	353.423	2.360	10	10	FECE	
Cc1cccc(CNC2CC(NC(=O)OC(C)(C)C)(C(=O)O)C2)c1O	2315508887	ZCDNBZREJTUKIA-UHFFFAOYSA-N	350.415	2.301	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1	2315989185	ONKPGQRFKMSEKI-MRXNPFEDSA-N	355.439	2.297	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)N3CCC[C@H]3CN=[N+]=[N-])CO[C@H]1C2	2334184383	WJPHOVMYJRVIAD-PFHKOEEOSA-N	365.434	2.360	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)[C@@H](N3CCOCC3)C2)cc1	175697171	SWADYKAPLABFER-PXNSSMCTSA-N	374.529	2.395	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(c2cccnn2)C1	120203105	XYLJJPFEENKLIE-FQEVSTJZSA-N	367.497	2.414	10	10	FECE	
Cc1nc2ccccc2n(CCC(=O)NCc2ccc(N(C)C)cc2)c1=O	33005323	SPEAIMKFCXJSBH-UHFFFAOYSA-N	364.449	2.477	10	10	FECE	
Cc1nn(C)cc1C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92010786	KLLDMSJHLCXSJA-UHFFFAOYSA-N	367.497	2.191	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@]1(C)CCC(=O)NC1	282595122	DBXMOECUOVRYQX-MRXNPFEDSA-N	369.259	2.420	10	10	FECE	
Cc1ccc(CN(C)C(=O)[C@@H](N)C(F)(F)F)c(O)c1Br	2381131177	JWABAMQZFAWDAL-SNVBAGLBSA-N	355.154	2.311	10	10	FECE	
Cc1ccc(CNC[C@H]2C[C@@H](S(C)(=O)=O)C2)c(O)c1Br	2381143799	UEJYALMLTWILAA-KLPPZKSPSA-N	362.289	2.376	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CCC[C@H](CO)C1	298366969	UHKJOKFYXPGWLC-JKSUJKDBSA-N	365.449	2.013	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CC1CCN(C)CC1	291717238	QMNDBFBZZCSYHR-UHFFFAOYSA-N	368.861	2.279	10	10	FECE	
C[C@@H](NC(=O)N[C@@H]1CCc2nc[nH]c2C1)c1ccc(N2CCOCC2)cc1	811867625	PWGZRWNMUPTRKV-GDBMZVCRSA-N	369.469	2.164	10	10	FECE	
CN(C)c1cc(NC(=O)NCc2cc(Br)ccc2O)ncn1	810217338	AUPJXRUOFUDHQN-UHFFFAOYSA-N	366.219	2.332	10	10	FECE	
C[C@@H](NS(=O)(=O)c1cscn1)c1ccc(N2CCOCC2)cc1	827043400	LAZVEDHMJOBUPR-GFCCVEGCSA-N	353.469	2.019	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cc3c(C)cc(C)nc3O)CC2)cc1	905105020	UCYMWUNTHFTQPZ-UHFFFAOYSA-N	355.438	2.304	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)c1O	832462234	BMLIUQSJBQBKHJ-LSDHHAIUSA-N	357.859	2.400	10	10	FECE	
COc1ccc(O)c(CNC(=O)CN2CC[C@@H](c3ccccc3)NC2=O)c1	830545105	WXRZUQCZWCRIJJ-KRWDZBQOSA-N	369.421	2.174	10	10	FECE	
Cc1cc(O)c(CNC2CCN(CCC(=O)N(C)C)CC2)c(Cl)c1	840897470	RMSKUBCLWRHGDQ-UHFFFAOYSA-N	353.894	2.386	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC(F)(F)C[C@H]1CO	840481120	GQNHMRLLYCIDCK-CJNGLKHVSA-N	355.429	2.404	10	10	FECE	
Cc1cc(Br)c(O)c(CN2C[C@H](C)N(CCO)C[C@@H]2C)c1	841891690	OOUGJELJIHGASS-STQMWFEESA-N	357.292	2.350	10	10	FECE	
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCc1c(O)cccc1F	928711152	FSPQSHIMEOLNRY-LRDDRELGSA-N	351.422	2.368	10	10	FECE	
C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CC1=O	750634627	IEKQSWIALDJCND-UWWQBHOKSA-N	356.470	2.095	10	10	FECE	
COC1CC(CCNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1	852417918	YIZRXRQNRZRCEM-UHFFFAOYSA-N	361.486	2.480	10	10	FECE	
COc1ccc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)NC(C)=O)cc1	762275744	ZDHMJSGJVSRTGI-KRWDZBQOSA-N	372.421	2.033	10	10	FECE	
CCN(C)C(=O)c1cccc(S(=O)(=O)N2Cc3cccc(O)c3C2)c1	867691444	WSFKSXBGCJNNOI-UHFFFAOYSA-N	360.435	2.189	10	10	FECE	
CC(=O)N[C@H](CC(C)C)C(=O)NCc1cc(Br)ccc1O	861687831	YXKRIXHUTXKCPC-CYBMUJFWSA-N	357.248	2.322	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)CCC34CC(CN3)C4)cc2F)CC1	870884476	YINDBHLFLQEOBK-UHFFFAOYSA-N	374.504	2.116	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccn2nccc12	877991761	NFEPYMHLDFWCPT-UHFFFAOYSA-N	350.422	2.443	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@@H]1[C@H]1CCCOC1	1123488761	HSNHJJNCQHXCHG-PKOBYXMFSA-N	359.470	2.234	10	10	FECE	
Cc1cc(C(=O)COC(=O)[C@H]2NC(=O)O[C@@H]2C)c(C)n1-c1ccc(F)cc1	786064500	BTQIZYXRSIQGRB-PXAZEXFGSA-N	374.368	2.456	10	10	FECE	
C[C@@H](NC(=O)CN1CC(CNC(=O)OC(C)(C)C)C1)c1ccccc1O	1877569076	YDEPYSZJHOSXRU-CYBMUJFWSA-N	363.458	2.026	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCCN(C(=O)c2ccccc2)CC1	1141458487	FJQJYGIFZPYWLU-UHFFFAOYSA-N	354.406	2.015	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3nc(C)n4cccnc34)CC2)cc1	1083956100	LWLGTDRDFXQXQV-UHFFFAOYSA-N	351.410	2.009	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1ccc2c(c1)nc(O)n2CC1CC1	1162284059	FHNTUDTZWGCQSJ-UHFFFAOYSA-N	353.378	2.493	10	10	FECE	
Cc1oc2ncnc(O)c2c1C(=O)NCc1ccc2cccnc2c1O	1299721307	GEBHMLWAOJPPEN-UHFFFAOYSA-N	350.334	2.421	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnc2c(c1)NC(=O)CO2	1290374873	PSGVEKBOBWQRBT-UHFFFAOYSA-N	366.421	2.285	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3ccc(O)c(O)c3)C[C@H]2C1	2118176111	OMJCMDXNUYXCHT-KGLIPLIRSA-N	362.426	2.427	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)[C@@]2(CC(C)C)CCNC2=O)cc1	1538161729	ZYNUHIIMPGTROU-HXUWFJFHSA-N	361.486	2.142	10	10	FECE	
Cc1cc(N2CCC(NC(=O)c3ccc(N=NC(N)=O)cc3)CC2)n[nH]1	1638961436	DAEGHLPBGRKJDS-UHFFFAOYSA-N	355.402	2.279	10	10	FECE	
CC(C)(C)OC(=O)NCCn1cnc(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)c1	2124537026	VGYKEXWOIJDDJH-GFCCVEGCSA-N	363.422	2.323	10	10	FECE	
COc1ccc(-n2cc(C(=O)N[C@@H](C)c3cc(OC)ccc3O)nn2)cc1	1630373424	QFCWSZVDMZUNRH-LBPRGKRZSA-N	368.393	2.481	10	10	FECE	
CCOC(=O)[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1ccccc1	1638347757	LNBWEDWKIVTLNE-FZKQIMNGSA-N	357.406	2.492	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NCc2c(O)cccc2O)C1	1652625790	MIPSUYXWSBCODB-GFCCVEGCSA-N	350.415	2.361	10	10	FECE	
COc1cccc([C@@H](O)COc2ccc(N3CCN(C(C)=O)CC3)cc2)c1	153179277	SDLLNMJVVKRFNM-NRFANRHFSA-N	370.449	2.476	10	10	FECE	
Nc1ccc(O)c(CN2CC[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1	2129060196	PLFWBUCYIOUPRV-TZIWHRDSSA-N	353.466	2.450	10	10	FECE	
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2060635923	QTPYFLJZJBVUHY-AVGNSLFASA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)NCC1(CN=[N+]=[N-])CC1)[C@@H]1CCCO1	2060637933	QABGJRKWFXSDFU-NWDGAFQWSA-N	353.423	2.265	10	10	FECE	
C[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccc(O)cc1O	2069356381	LRBMVEYTBXVWDW-DJSGYFEHSA-N	352.431	2.119	10	10	FECE	
C[C@@H]1C[C@@H](CNC(=O)COc2ccc(N)cc2)CN1C(=O)OC(C)(C)C	2106264147	GSMRHCHHZFEIRA-KGLIPLIRSA-N	363.458	2.409	10	10	FECE	
CN(CCCN(C)C(=O)OC(C)(C)C)C[C@@H](O)COc1ccc(N)cc1	2106656247	VVHNBVSKYNSBMD-MRXNPFEDSA-N	367.490	2.197	10	10	FECE	
COc1ccc(O)c([C@H](C)NCC2(O)CC(NC(=O)OC(C)(C)C)C2)c1	2107273136	QAAWACBWSUIFMR-GLIABKTBSA-N	366.458	2.470	10	10	FECE	
CC(C)(C)OC(=O)NCCc1n[nH]cc1C(=O)NCc1ccccc1O	2227006632	PDQOEUNNCUJHGP-UHFFFAOYSA-N	360.414	2.113	10	10	FECE	
COc1cccc(C=C2C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)c1	2297330301	KYOSAWMHUUNACV-UHFFFAOYSA-N	371.418	2.149	10	10	FECE	
Cc1ccc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)o1	2297469343	NQONCEHOMBYPHI-UHFFFAOYSA-N	371.422	2.220	10	10	FECE	
CC[C@H](Oc1ccc(C=C2SC(=S)N(CCO)C2=O)cc1)C(=O)O	2314929630	PHQVOCLZOBMHRN-LBPRGKRZSA-N	367.448	2.122	10	10	FECE	
CSc1ccc(C=C2SC(=S)N([C@@H](C(=O)O)[C@H](C)O)C2=O)cc1	2323823850	SNEZCPNJAFZUSH-QPUJVOFHSA-N	369.489	2.444	10	10	FECE	
Cc1nc[nH]c(=NCc2ccc(N(C)C)cc2)c1I	2339889762	MVVDRBKIGKBSOK-UHFFFAOYSA-N	368.222	2.490	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2nnn(C)c2c1	184932584	QWMRFDRHQSSWAB-UHFFFAOYSA-N	365.437	2.077	10	10	FECE	
CC(C)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCOCC1	36197143	BWRGAZWPZRUMCF-IBGZPJMESA-N	362.518	2.471	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CCCc4[nH]ncc43)CC2)cc1F	134490440	HJOCWGWAGAHBIT-CQSZACIVSA-N	358.417	2.326	10	10	FECE	
O=S(=O)(C(F)F)[C@H]1CCN(c2ccc(CO)cc2Br)C1	2368551309	IEHJRGYNVFBCEX-VIFPVBQESA-N	370.215	2.158	10	10	FECE	
CCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1=O	44030114	HMLAHPZPTUWKBP-UHFFFAOYSA-N	367.405	2.396	10	10	FECE	
CCN1CCN(C2=NC(=O)/C(=C\c3cc(OC)ccc3OC)S2)CC1	96504933	FCBXAANEKVVLFP-FOWTUZBSSA-N	361.467	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(CNCc2ccc3c(c2)CCO3)C1	1251334572	LNHZIXWZWUELKW-FQEVSTJZSA-N	362.470	2.473	10	10	FECE	
COCCCNc1ccnc(N2CCN(c3ccc(OC)cc3)CC2)n1	242803612	FFJDFJHEIAMLNG-UHFFFAOYSA-N	357.458	2.260	10	10	FECE	
CCCCCN1C[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O	243679689	PGBDWHOUFMGHFO-KRWDZBQOSA-N	373.497	2.383	10	10	FECE	
CCCN(CC(N)=O)C(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	554227428	SMIFMQSGCGIVDN-UHFFFAOYSA-N	370.497	2.132	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CC(n3nc(C)nc3C)C2)c([N+](=O)[O-])c1	285712207	RTLGHXFOJDTZDX-FNORWQNLSA-N	357.370	2.051	10	10	FECE	
COc1cc(C)cc(NC(=O)C(=O)NCc2cccc(OC)c2O)c1C	280389718	XPFALMUUAPMBCL-UHFFFAOYSA-N	358.394	2.281	10	10	FECE	
COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1ccc2ccccc2c1O	816520894	ARZKPYBJAVYRGC-BDXSIMOUSA-N	369.417	2.470	10	10	FECE	
COc1cccc(CNC(=O)Cc2sc(-c3ccn(C)n3)nc2C)c1O	901128271	VFRCXMWBCDHBHY-UHFFFAOYSA-N	372.450	2.425	10	10	FECE	
Cc1cc(C(=O)CN2C[C@H]3C[C@H]2C(=O)O3)c(C)n1-c1ccc2c(c1)OCO2	830679108	DALYDEBXZJEBNA-ZBFHGGJFSA-N	368.389	2.005	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)NC3(C4(C)CC4)CC3)CC2)cc1	837989515	SJXKOEJMNYQWOS-UHFFFAOYSA-N	372.513	2.449	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)N3CC[C@H]3C3CC3)CC2)cc1	837389865	ADYVSHGKUUEHFW-FQEVSTJZSA-N	372.513	2.401	10	10	FECE	
CCOC(=O)c1cnc(NC(=O)NCc2ccc3c(c2)CCCN3C)n1C	841713555	LIQQWTURGPKWAR-UHFFFAOYSA-N	371.441	2.301	10	10	FECE	
CN1C(=O)/C(=C/c2cnc(N3CCOCC3)s2)c2cc([N+](=O)[O-])ccc21	840722019	DWCOGRFAXVXWFP-NTEUORMPSA-N	372.406	2.405	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=S)NCC(C)(C)CN(C)C)C2)cc1	849271075	ZKCPKCUKAAIZLW-HNNXBMFYSA-N	364.559	2.326	10	10	FECE	
C[C@H](NC(=O)[C@@]1(C)C[C@H](O)CN1C(=O)OC(C)(C)C)c1ccccc1O	913763984	XMPSWJSIGWDTLA-WTOJCKNJSA-N	364.442	2.330	10	10	FECE	
COc1ccc(CNC(=O)[C@H](C[C@@H]2COCCO2)C(F)(F)F)c(O)c1	846949792	JUQKSVYHZITXFU-OLZOCXBDSA-N	363.332	2.001	10	10	FECE	
CC[C@@H](NCC(=O)NCC(=O)NCc1ccccc1)c1ccc(C)cc1O	926965765	VKUMOPHRIZERQK-GOSISDBHSA-N	369.465	2.174	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3csc(NC(C)=O)n3)C2)cc1	855231778	MAPIJHSIAVCJDT-LBPRGKRZSA-N	360.439	2.119	10	10	FECE	
Cc1cc(C(=O)N2CCN3CCOC[C@H]3C2)c(C)n1-c1ccc(F)cc1	754459460	GPFFUABMPWIQSM-GOSISDBHSA-N	357.429	2.390	10	10	FECE	
COc1cccc(CNC(=O)NCc2ccc(CNC(C)=O)cc2)c1O	854277884	KNLOUUZFWZLPFX-UHFFFAOYSA-N	357.410	2.036	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1C[C@@H](O)C12CCC2	853436048	PXJCBGGPIOGLCJ-DLBZAZTESA-N	361.511	2.343	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3c(C(F)(F)F)cnn3C)C2)cc1	855227841	ZUGQXWVBISZGSO-NSHDSACASA-N	368.359	2.456	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)Cc3ccccc3)C2)cc1	852448424	IZSDPPIZPFKEPF-HKUYNNGSSA-N	369.465	2.177	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)NCc2ccc(O)c(O)c2)C1	860243228	HEJGTAJLGWHFBX-WFASDCNBSA-N	368.405	2.309	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H](C)c3ccnn3C)CC2)cc1F	869182056	VHUDTWAJGFXSRD-ZDUSSCGKSA-N	361.421	2.161	10	10	FECE	
CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Cl)ccc1O	869146175	GMPFFXPMJVRTGF-ZDUSSCGKSA-N	371.865	2.117	10	10	FECE	
CO[C@@H]1CN2C(=O)N([C@@H](C)Cc3ccc(N(C)C)cc3C)C(=O)[C@@]2(C)C1	865311842	KTWLIRJFUHDQHA-GZRFBZBPSA-N	359.470	2.434	10	10	FECE	
CO[C@@H](C)CS(=O)(=O)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	764195329	RAJGKWXSCPJTRY-LBPRGKRZSA-N	368.430	2.328	10	10	FECE	
CCn1nc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(=O)c2ccccc21	773739348	FQZYUEUSQKLJMI-GFCCVEGCSA-N	367.405	2.189	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3nnc(-c4ccco4)o3)CC2)cc1	899940438	NJLRGOGIYVSTBP-UHFFFAOYSA-N	354.366	2.301	10	10	FECE	
COC(=O)[C@@](C)(NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(F)cc1	794712346	SEXBDBNCSRXPGZ-CUPZGDSWSA-N	359.353	2.455	10	10	FECE	
COc1ccc(N2CCN(C(=O)Nc3c(C)ccn4ncnc34)CC2)cc1	888182666	GRPJKSQJTOAQGW-UHFFFAOYSA-N	366.425	2.400	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NCc1cc(F)cc(F)c1O	708536001	SKDLIKSVDRTGCW-DCDXPUDHSA-N	370.396	2.441	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(CNCc2cc(F)cc(F)c2O)CCOC1	708517797	TWUAFWPMECKXSL-QGZVFWFLSA-N	358.385	2.444	10	10	FECE	
O=C(C(=O)N(Cc1ccco1)C[C@H]1CCCO1)N1Cc2cccc(O)c2C1	1332001390	RMLPBZUHFUJVBU-MRXNPFEDSA-N	370.405	2.035	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCN2CC(F)(F)C[C@H]2C1	1354039946	UDQLKPZOSKXOLI-JTQLQIEISA-N	354.378	2.478	10	10	FECE	
COC(=O)[C@H]1CN(C(=O)/C=C/c2cncc(F)c2)c2ccc(F)cc2O1	1530901998	PCNOODQLFIAPGX-OUGHUQCRSA-N	360.316	2.340	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(C)C)CC2)c(OC)c1	1461977996	MENOQFQDRTWRTD-GOSISDBHSA-N	361.486	2.225	10	10	FECE	
CNC(=O)COc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1	1616421483	HEWWCSSZFTVLKI-UHFFFAOYSA-N	355.354	2.226	10	10	FECE	
Cc1[nH]nc(C(=O)N2Cc3cccc(O)c3C2)c1I	1558035712	NHPQSVDRBPWKST-UHFFFAOYSA-N	369.162	2.184	10	10	FECE	
COc1ccc(CN[C@@H](C)CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1C	1567224351	USQHPKQEGRDPGQ-HEHWYMARSA-N	358.482	2.411	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1C(=O)Nc2ccc(F)cc21	1633818224	FKXSQGWIMIAIAF-IINYFYTJSA-N	358.369	2.410	10	10	FECE	
CC(C)CNC(=O)[C@@H]1CSCN1C(=O)c1ccc(N=NC(N)=O)cc1	1587617870	RENJLQWRKNOMKA-ZDUSSCGKSA-N	363.443	2.136	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1cn2c(Br)cnc2s1	1597574149	IPAVLJPRNOEOFO-UHFFFAOYSA-N	368.212	2.500	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@]3(Cl)C[C@H]4CC[C@H]3O4)CC2)cc1F	1595482045	JVXVBFOUTGABBK-QBIMZIAESA-N	368.836	2.412	10	10	FECE	
O=C1NC(=S)SC1=Cc1ccc(OCCO)cc1Br	2053614628	BWRQNTNYVHEPGS-UHFFFAOYSA-N	360.254	2.309	10	10	FECE	
CN(c1ccc(CO)c(Br)c1)[C@@H]1CCCS(=O)(=O)CC1	694191083	KYGSQJSTDCXVNS-GFCCVEGCSA-N	362.289	2.345	10	10	FECE	
CS(=O)(=O)[C@H]1CCCN(c2cc(Br)c(CN)cc2F)C1	383360690	DYMCJKBOGITABM-JTQLQIEISA-N	365.268	2.060	10	10	FECE	
Cc1cccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2CO)c1O	2052718884	ZYDBMAYCPBTHNZ-HZPDHXFCSA-N	350.459	2.408	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@H]1CCOCC[C@@H]1NC(=O)OC(C)(C)C	2060636754	BDWSHNKZVRCQLN-OLZOCXBDSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])C1	2225794568	GZSKHAOKXKJHQY-NEULZYRMSA-N	365.434	2.360	10	10	FECE	
Cc1ccsc1C=C1SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O	2296663454	RTIDYNYOKYDRPP-VIFPVBQESA-N	359.519	2.445	10	10	FECE	
CCn1cc(CN2CCCN(C(=O)C=Cc3ccc(O)c(O)c3)CC2)cn1	2307987212	KTGUZTUFVBZFRE-UHFFFAOYSA-N	370.453	2.062	10	10	FECE	
NC(=O)c1ccc(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)cc1F	108711634	UMVIUAWKKRFPNH-FPYGCLRLSA-N	369.396	2.413	10	10	FECE	
NCc1ccc(N2CCN(c3nncs3)CC2)cc1Br	2362025153	LBZXRIMCKTYTDE-UHFFFAOYSA-N	354.277	2.086	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)Cc2ccccc2)N2CCOCC2)cc1	36100183	OXUNIWGADXBHMX-OAQYLSRUSA-N	367.493	2.485	10	10	FECE	
Cc1nn(C)cc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	189665428	XKZLMSDLLASPEZ-UHFFFAOYSA-N	357.458	2.259	10	10	FECE	
CCCN[C@@H]1C(=O)Nc2cc(N(C)[C@@H](C)CO)c(Br)cc21	122556498	ASHXMTBXOHODDF-XPTSAGLGSA-N	356.264	2.259	10	10	FECE	
C[C@H](Nc1cnn(CC(=O)NCCO)c1)c1cc(Cl)c(Cl)cc1O	193274130	CQDUQAGLDUUZDL-VIFPVBQESA-N	373.240	2.177	10	10	FECE	
COc1ccc(CN2CC[C@@H]2CNC(=O)c2ccc(C)c(O)c2O)cc1	529833412	RMLRGCVZFXZNIA-OAHLLOKOSA-N	356.422	2.419	10	10	FECE	
O=C1N=C(N2CCCCC2)S/C1=C/c1cnc(N2CCOCC2)s1	255758116	VYRDBYGMQWVKFO-JLHYYAGUSA-N	364.496	2.436	10	10	FECE	
Cc1ccc2c(c1O)[C@H](CNC(=O)OCc1ccccc1)N[C@@H](CO)C2	381052300	HLILIHJKHJJWQY-SJORKVTESA-N	356.422	2.175	10	10	FECE	
CCCCN(Cc1ccccc1O)[C@H](C)C(=O)N(C)CC(=O)NC1CC1	282573353	ZWBZMWUMOPERJZ-OAHLLOKOSA-N	361.486	2.120	10	10	FECE	
COc1ccc(N2CC[C@@H](CNS(=O)(=O)c3cnccc3C)C2)cc1	819888521	WZPABRYCRNJHSB-HNNXBMFYSA-N	361.467	2.203	10	10	FECE	
CCCN(C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1)C1CC1	729049878	DHZAFAHJUUZNAZ-UHFFFAOYSA-N	360.502	2.401	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCCc1ncn(C)n1	827708217	YKGWKQGCHPGTGO-UHFFFAOYSA-N	358.490	2.434	10	10	FECE	
CN(C)c1ccc(/C=C\CNC[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1	904012166	QYQBFYYHDBGHLW-WLMCBFPDSA-N	363.458	2.333	10	10	FECE	
C[C@@H]1CN(CC2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)C[C@@H](C)O1	588404285	ISBPJJFBDKOHOF-HVLYNSROSA-N	374.481	2.459	10	10	FECE	
COc1cc(N(C)C[C@H](CN)Cc2cnn(C)c2C)cc(OC)c1OC	903902558	JNVHWTBUMRHOSR-AWEZNQCLSA-N	362.474	2.008	10	10	FECE	
O=C(CCOCC1CC1)NCc1cc(F)c(N2CCOCC2)c(F)c1	837707090	JMMGTWQKLYMISP-UHFFFAOYSA-N	354.397	2.234	10	10	FECE	
CN1CCN(c2ccc(CN3CC4(CCC4)[C@@](F)(C(=O)O)C3)cc2)CC1	901915675	PROMZZSRGLIXDF-FQEVSTJZSA-N	361.461	2.217	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCCC[C@H]2CNS(C)(=O)=O)cc1	835026194	RWXDMHSGCVEFPI-MJRGOJFPSA-N	351.516	2.170	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCc3cc(S(N)(=O)=O)ccc32)cc1	835025701	ZDDFDSMUFZZXMD-ARJAWSKDSA-N	357.479	2.476	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CN1Cc2ccccc2OC1=O	843851533	NLJXAOXAWHZGHG-GFCCVEGCSA-N	356.378	2.160	10	10	FECE	
O=C([C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)N1Cc2cccc(O)c2C1	913726400	OBHOXAXEUQRNLY-WBVHZDCISA-N	367.323	2.045	10	10	FECE	
COc1cc(Br)cc(CNCCCc2ncn(C)n2)c1O	842738029	YNTPCQSFIHOCHR-UHFFFAOYSA-N	355.236	2.014	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCc2nnn(C)c2C1	927854584	OHCDWLMBPZZRGN-INIZCTEOSA-N	370.501	2.359	10	10	FECE	
CN(C)CCn1cc(NC(=O)NCc2c(O)ccc3c2CCCC3)cn1	747558332	VLNKEVPOXXUEKH-UHFFFAOYSA-N	357.458	2.351	10	10	FECE	
C[C@H](NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@@H]1[C@H]2CN[C@H]1C2	925630241	OPUAEYHFTVUVJU-UHVFKWDWSA-N	354.542	2.305	10	10	FECE	
CCCCn1c(N)c(N(CC)C(=O)/C(C)=C/c2cccnc2)c(O)nc1=O	846772832	BCZNPUYKZFFRJO-ACCUITESSA-N	371.441	2.183	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H]2COC[C@@H]2C1	850653597	QXNWOGHXALFOBL-IRXDYDNUSA-N	360.454	2.016	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)c3cc(O)cs3)O2)C1	855881548	AKFBPCJWWPYGMP-GFCCVEGCSA-N	368.455	2.352	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	853748852	JQYSMSDGJYGVNQ-GOSISDBHSA-N	366.465	2.448	10	10	FECE	
COc1ccc(O)c(CNC(=O)C(=O)Nc2cc(C)c(OC)cc2C)c1	773251063	IBZWZFUWARKSEX-UHFFFAOYSA-N	358.394	2.281	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(-c2ccsc2)nn1C	787471186	SFPMRAYRDRGZLE-UHFFFAOYSA-N	370.434	2.451	10	10	FECE	
COc1ccc(N2CCN(CCN[C@H]3CCc4cccnc43)CC2)cc1	886515430	FPYBUPARNSZSEX-FQEVSTJZSA-N	352.482	2.489	10	10	FECE	
C[C@@H](NC(=O)C(=O)N[C@@H]1CC[C@H]2CC[C@H]1OC2)c1ccc(N(C)C)cc1	1335883431	GQJCRPMFRYTPAO-LTCOOKNTSA-N	359.470	2.004	10	10	FECE	
CS(=O)(=O)CC1(CCNCc2ccc(Br)cc2O)CC1	691447057	VAYYNBICZPJQFR-UHFFFAOYSA-N	362.289	2.459	10	10	FECE	
C[C@@H]1COCC[C@@H]1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	1261118807	BILMXEUXNOWBDZ-PBHICJAKSA-N	372.421	2.055	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)C2CC3(C2)CS(=O)(=O)C3)cc1	1518799830	HRDPVXZZMHVALP-UHFFFAOYSA-N	364.511	2.316	10	10	FECE	
Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1C[C@H]1COCCO1	1290721302	VISQFBSTMNXCGV-IBGZPJMESA-N	371.485	2.239	10	10	FECE	
CC(C)(C)OC(=O)[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CCO1	1465713298	SXGGRJYFPYHSQI-CYBMUJFWSA-N	362.386	2.032	10	10	FECE	
C[C@@H](NC(=O)c1ccc2ncn(C)c2n1)c1ccc(N2CCOCC2)cc1	1625882422	HVEKPTFZMXKNPQ-CQSZACIVSA-N	365.437	2.296	10	10	FECE	
CCc1ccc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)o1	155371899	IZCPHPCRPBOXIA-SDNWHVSQSA-N	352.481	2.375	10	10	FECE	
CCn1cc(S(=O)(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cn1	1890771099	UEFRRGCAWKGUEC-RDJZCZTQSA-N	360.483	2.370	10	10	FECE	
CCOC(=O)[C@H]1CCCN(C(=O)CCNCc2ccc(N(C)C)cc2)C1	1857862816	ICTSILANLJTQNY-KRWDZBQOSA-N	361.486	2.034	10	10	FECE	
C[C@@H](F)CCNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136257092	WJHUCASCQCKOGI-YPMHNXCESA-N	370.421	2.398	10	10	FECE	
C[C@H](C[S@@](C)(=O)=NCc1cc(N)ccc1O)NC(=O)OC(C)(C)C	1999485803	WFKOKVUPJLVDOD-YDGUKXNOSA-N	357.476	2.485	10	10	FECE	
COCCOCCN(Cc1ccccc1)c1cc2c(cc1F)[C@H](O)C(=O)N2	2152215190	PRNRKUBFNHOBRD-IBGZPJMESA-N	374.412	2.481	10	10	FECE	
CO[C@H](C)[C@@H](CC(=O)N1CC[C@H](CN=[N+]=[N-])C1)NC(=O)OC(C)(C)C	2060613545	SEHFPUJRCNPPMH-JHJVBQTASA-N	355.439	2.464	10	10	FECE	
CN(C(=O)CN1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccc(N)cc1	2106650455	ZNRLRJKUGCFLPF-CQSZACIVSA-N	362.474	2.078	10	10	FECE	
COc1cc(N)c(N2CCOC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC	2106808938	ZGGDSLLYVMTJEC-GFCCVEGCSA-N	367.446	2.016	10	10	FECE	
CN1CCCc2cc(CNCC3(NC(=O)OC(C)(C)C)COC3)ccc21	2095061259	NYTKXEZBGYUMAZ-UHFFFAOYSA-N	361.486	2.452	10	10	FECE	
CN(C)C(=O)CN(Cc1ccccc1)c1cc2c(cc1Cl)[C@@H](N)C(=O)N2	2095919276	LBLNXRGNEPYMQB-GOSISDBHSA-N	372.856	2.387	10	10	FECE	
CCCN(c1ccc(CN)cc1Br)[C@@H]1CCS(=O)(=O)C1	2201906234	BLELYLMKYJZGLZ-GFCCVEGCSA-N	361.305	2.311	10	10	FECE	
CS(=O)(=O)[C@H]1CCC[C@H]1NCc1cc(Br)cc(F)c1O	2205994807	CNGXLUIYALJJSC-NEPJUHHUSA-N	366.252	2.349	10	10	FECE	
CC(NCCO)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	2293716057	SKBACEYMBXBSQR-UHFFFAOYSA-N	370.356	2.417	10	10	FECE	
COC(=O)[C@H]1C[C@@H](O)CN1C(=O)C=Cc1cc(C)n(-c2ccccc2)c1C	2309891031	RHBKBTYZHYAWSB-RTBURBONSA-N	368.433	2.242	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCC[C@H]3CN=[N+]=[N-])CO[C@@H]1C2	2334184384	WJPHOVMYJRVIAD-ZBYUQBLASA-N	365.434	2.360	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1(C)C	2352420970	KEEYWZQAMZBHJQ-ZDUSSCGKSA-N	366.414	2.321	10	10	FECE	
COC(=O)C1=C(C)NC(=O)/C1=C/c1cc(Br)ccc1OC	33340016	GKVQORFXRPZOOG-YRNVUSSQSA-N	352.184	2.418	10	10	FECE	
COc1ccc(N2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)cc1	180882656	DUXGMVIRWLIQCU-YCRREMRBSA-N	354.406	2.468	10	10	FECE	
CCN(CC)c1ccc(CNS(=O)(=O)NCC(F)(F)F)cc1F	195237766	PVGWULJAHNBWLZ-UHFFFAOYSA-N	357.373	2.158	10	10	FECE	
CC[C@@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CCN1C[C@H](C)O	246699731	BZXLFWVLVRATAZ-FUHWJXTLSA-N	370.497	2.406	10	10	FECE	
CC(=O)N(C(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(N)cc1	244421006	YTNXTPVUGGRRHE-UHFFFAOYSA-N	365.389	2.225	10	10	FECE	
COc1ccc(N2CN=c3sc(=C/C=C\c4ccco4)c(=O)n3C2)cc1	254529223	WVGJMCHLLBGXKC-QAVPSMHWSA-N	367.430	2.060	10	10	FECE	
Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1Cc1ccc(N(C)C)cc1	362375138	AVTNZWCQNXHYLR-HXUWFJFHSA-N	363.465	2.382	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(O)c2O)[C@@H](C(F)F)C1	366474132	OBFOSLCMJCVYJH-LLVKDONJSA-N	372.368	2.424	10	10	FECE	
Cc1cc(CC(=O)NC[C@](C)(O)CO)c(C)n1-c1ccc(Cl)cc1	801976299	UJXWLAAZKHXCIU-SFHVURJKSA-N	350.846	2.150	10	10	FECE	
CN1CCc2cc([C@H](N)[C@]3(O)C[C@H]4[C@H]3CCN4C(=O)OC(C)(C)C)ccc21	2163141587	WACONZKNFSVWQO-NKMKZGIRSA-N	373.497	2.439	10	10	FECE	
NC(=O)C[C@@H]1CCCCN1C(=O)c1csc(Cc2ccc(N)cc2)n1	817927424	GIRZTHHRGFWFNC-AWEZNQCLSA-N	358.467	2.186	10	10	FECE	
CCn1ccnc1C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	813505213	QVTAEDNRXZBLIM-UHFFFAOYSA-N	367.497	2.365	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@H](CNCc1ccc(N3CCOCC3)cc1)C2	818226620	UMJWLGVILDIBHJ-BJLQDIEVSA-N	373.497	2.480	10	10	FECE	
CCOC(=O)C(F)(F)[C@@H](N)c1cc(OC)cc(Br)c1O	725275236	BDEQHBUVUYOULS-JTQLQIEISA-N	354.147	2.362	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)c3cn([C@@H]4CC[C@H]4O)nn3)cc2)CC1	900626263	KLRHUKSKAFSAHL-RTBURBONSA-N	369.469	2.140	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1C[C@@H]2C[C@H]1CS2	837713907	KWKIJUXUBHOVRG-KBPBESRZSA-N	351.447	2.062	10	10	FECE	
CNCCN(C(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C(C)C	903807112	VDKJJTIIDOZNKD-UHFFFAOYSA-N	374.529	2.092	10	10	FECE	
CO[C@]1(CN[C@H](C)c2cc3c(cc2O)CCCC3)CCS(=O)(=O)C1	903365388	MUQQKWBYUSLSQJ-ACJLOTCBSA-N	353.484	2.125	10	10	FECE	
COC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCSCC3)cc2)C1	839545186	HCWKFINQHRRUMB-JKSUJKDBSA-N	362.495	2.445	10	10	FECE	
COc1cc(Br)cc([C@H](C)N[C@@H]2CCCN(C)C2=O)c1O	848531258	MWSRFCOYSYBMBV-JOYOIKCWSA-N	357.248	2.435	10	10	FECE	
O=C1N=C(N2CCOCC2)S/C1=C/c1c(Cl)nc2sccn12	747148451	YGMIFOZADNYSGF-VQHVLOKHSA-N	354.844	2.352	10	10	FECE	
C[C@@H](N)[C@@H](C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	841783115	WGDMYXAZYGCNTP-VXGBXAGGSA-N	356.417	2.292	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cnn(CC(F)(F)F)c3)C2)cc1	855226602	QXYBTRYMRWMMFX-CYBMUJFWSA-N	368.359	2.463	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C2CCC1(C(N)=O)CC2	922915833	QXDMMRBMWNWYFE-GPWPYBQESA-N	358.486	2.184	10	10	FECE	
COCCN(CCF)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	852386304	BHLDBLPWMGTCRF-HNNXBMFYSA-N	353.438	2.149	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN3CC[C@H](C(C)C)C3)CC2)cc1	754051421	PIYXIIQMFDHZFW-ICSRJNTNSA-N	361.530	2.156	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3CC[C@@H](O)C(F)(F)C3)CC2)cc1	853642146	AFZBBTYJJPYZIY-MRXNPFEDSA-N	369.412	2.076	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@H]3CCN(C(C)C)C3)C2)cc1	854297231	KYDYMSZPAOKZRB-WMZOPIPTSA-N	360.502	2.398	10	10	FECE	
C[C@@H]1CCC[C@@H](CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)O1	851989951	MIKJPNZBJDQWKQ-ZBFHGGJFSA-N	365.449	2.419	10	10	FECE	
CCCC(=O)N1CSC[C@@H]1C(=O)NCc1ccc2cccnc2c1O	862028100	PQSKFEXRHJOQPA-CQSZACIVSA-N	359.451	2.258	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCO[C@@H]([C@H](C)O)C2)c1	862002903	FSXDXHHAIACKHK-HNAYVOBHSA-N	356.422	2.128	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N(C[C@H]2CCCO2)C2CCCC2)cc1	785421859	GFDFYFWTFXCLKI-LJQANCHMSA-N	373.497	2.319	10	10	FECE	
Cc1cc(CC(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)c(C)n1-c1ccccc1	1132772021	UVJFNEPKKDGZOE-SAABIXHNSA-N	360.479	2.328	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)CC[C@H]2CC[C@@H](C3OCCO3)O2)c1	896163249	KVHDMWBLEFGTOO-AHIWAGSCSA-N	365.426	2.279	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1COC(C)(C)CN1Cc1cc(N)ccc1O	1880801793	SHCAWYXGMWWRDX-HNNXBMFYSA-N	365.474	2.479	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1	1142357991	BBMWRGPUZAYHOT-UONOGXRCSA-N	364.442	2.450	10	10	FECE	
COc1ccc(N2CCC(NC(=O)c3cnc(SC)nc3O)CC2)cc1	1143191483	QIAVDUUKJGPGQO-UHFFFAOYSA-N	374.466	2.312	10	10	FECE	
Cc1cc(N(C)C)ccc1CNCc1cccc([C@]2(C)NC(=O)NC2=O)c1	1325241880	LKTBHDBFZBKKEZ-NRFANRHFSA-N	366.465	2.405	10	10	FECE	
Oc1ccsc1-c1nnc(N2CC[C@H](Cn3ccnn3)C2)n1CC1CC1	1345816952	PADSKLXUGQBMBS-ZDUSSCGKSA-N	371.470	2.240	10	10	FECE	
Cn1ccnc1[C@@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCO1	1299249038	ZLNCEFQCTCJVEF-KGLIPLIRSA-N	356.386	2.233	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC=CCN2C(=O)c2ccc(O)c(O)c2)C1	2118183519	DBEJBXZNUINDAE-UHFFFAOYSA-N	360.410	2.489	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@]2(C)C1	2118164677	RTJHWFUSUBJOEX-ORAYPTAESA-N	362.426	2.427	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)cc1	1623648213	PWSLBMGYRCBUFF-UHFFFAOYSA-N	352.398	2.202	10	10	FECE	
C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H]1CN(Cc2ccccc2)CCO1	1565905864	CSJLSBGUJJWKSC-FOIQADDNSA-N	370.449	2.046	10	10	FECE	
COC[C@]1(C(=O)OC(C)(C)C)CN(Cc2ccc(N(C)C)cc2)CCO1	1560037562	NNGDTADESLJBNB-FQEVSTJZSA-N	364.486	2.312	10	10	FECE	
O=C(NCc1nc(C2CCOCC2)n[nH]1)NCc1cc(Cl)ccc1O	1565190705	YCPIZFYDIVKSQP-UHFFFAOYSA-N	365.821	2.057	10	10	FECE	
Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1c(O)ccc2ccccc12	1647788863	SJQHHYBGFXNISA-UHFFFAOYSA-N	370.430	2.431	10	10	FECE	
CCOC(=O)CN(CC(=O)NCCC(C)(C)C)Cc1ccccc1O	1643519100	JAFJGGRAAFOAKW-UHFFFAOYSA-N	350.459	2.310	10	10	FECE	
COC(=O)[C@@]1(C)C[C@@H](OC)CN1Cc1cc(Cl)cc(C(C)=O)c1O	1647989009	ABNISYVKFKKUGM-CXAGYDPISA-N	355.818	2.401	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1	1593869634	VYPHTFNIIVECGF-CQSZACIVSA-N	374.824	2.416	10	10	FECE	
CNC(=O)C(C)(C)Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O	1767551256	XXULZQNOPYTGBY-UHFFFAOYSA-N	357.458	2.270	10	10	FECE	
CCN1C(=O)/C(=C\c2ccc(OCC(=O)OC)c(OC)c2)SC1=S	6178464	LBBVSHNQKBMSBG-MDWZMJQESA-N	367.448	2.468	10	10	FECE	
C[C@H](N)c1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)c(Br)c1	2148776487	IQRFUNDEWFHZNW-QWRGUYRKSA-N	361.305	2.340	10	10	FECE	
Cc1cc(Br)cc(CN2CC[C@H]3CS(=O)(=O)C[C@@H]32)c1O	2151232706	LOJAOKZKGMKXLN-GWCFXTLKSA-N	360.273	2.082	10	10	FECE	
C[C@H]1[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)CCN1Cc1ccccc1	310685047	MAGDIUKBFQVYCI-KXBFYZLASA-N	359.495	2.351	10	10	FECE	
CC(C)(C)OC(=O)N1Cc2nccn2C[C@H](NCc2cccc(O)c2O)C1	2163406729	XDHKSMJDQNURSN-AWEZNQCLSA-N	374.441	2.203	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)C1	2060635048	HFJMEBNFSVMWDA-CHWSQXEVSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2060617988	UIZHXPYWSLPXJZ-UPJWGTAASA-N	353.423	2.048	10	10	FECE	
CO[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2060633832	RWPMKBYEGUDLFU-CHWSQXEVSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CNCc1ccc(O)c(O)c1O	2078324186	OZVMHLCPTOPNRP-AVGNSLFASA-N	350.415	2.148	10	10	FECE	
COCCOCCN(Cc1ccccc1)C(=O)COc1ccc(N)cc1	2095885505	OPOOEKDYVTYLBA-UHFFFAOYSA-N	358.438	2.339	10	10	FECE	
COCC(COC)ONCc1cc(Cl)cc(Br)c1O	2268090319	OBKHZNGVTMGIJN-UHFFFAOYSA-N	354.628	2.491	10	10	FECE	
O=C(O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccccc2F)SC1=S	2296882891	BYCHYEZRYMYIHZ-JTQLQIEISA-N	369.395	2.345	10	10	FECE	
COc1ccccc1C=C1C(=O)NC(=O)N(CCc2ccccc2)C1=O	2313548540	XUVYJZFGBUVIAQ-UHFFFAOYSA-N	350.374	2.400	10	10	FECE	
C[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(O)c(O)cc2C1	2341191497	CXXBCLXNNMQLMI-MEBBXXQBSA-N	368.405	2.234	10	10	FECE	
O=C(NCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccsc1	109891680	MTHSGWOGVSULHV-INIZCTEOSA-N	374.462	2.391	10	10	FECE	
COc1cccc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n1	129347969	BIZHARGJDSKBAB-UHFFFAOYSA-N	370.453	2.268	10	10	FECE	
CCOc1cc(C)nc(N2CCN(Cc3cc(OC)ccc3O)CC2)n1	180110724	BMVUPTBZOFOYQC-UHFFFAOYSA-N	358.442	2.220	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCOC[C@@H]3C)cc2F)CC1	194309702	GNYBDZMWTUDUAP-DOTOQJQBSA-N	363.477	2.256	10	10	FECE	
C[C@@H]1CN(Cc2ccccc2)CCN1CC(=O)N(C)c1ccc(N)cc1	382671961	ZREAJKCXDOTJHF-QGZVFWFLSA-N	352.482	2.438	10	10	FECE	
CCNc1ncnc(N2CCN(c3ccc(OC)cc3)CC2)c1[N+](=O)[O-]	40596117	QMFDPIXMUPUBOP-UHFFFAOYSA-N	358.402	2.152	10	10	FECE	
O=C(/C=C\c1ccc(C(=O)NC2CC2)cc1)NCCc1ccc(O)c(O)c1	255627947	DEKZPMBRRLTSMG-WMZJFQQLSA-N	366.417	2.362	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC(C)(C)CC(N)=O)C1	436020885	MBNXHWKNEIXEDQ-UHFFFAOYSA-N	370.497	2.178	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)NCCCSc2nccs2)c1	255628029	FFYLZPNNCRABHQ-ARJAWSKDSA-N	362.480	2.210	10	10	FECE	
Cc1ccc(CNS(=O)(=O)C2CCOCC2)c(O)c1Br	2381148367	YXKHDOZHJYVTTG-UHFFFAOYSA-N	364.261	2.062	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H]1CCCC[C@H]1C(=O)N1c2ccccc2C[C@@H]1C	808543628	LHAHEEKHTHFDJU-IAOVAPTHSA-N	371.433	2.472	10	10	FECE	
COc1cccc(O)c1CN1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21	809770513	ZIVTZBBQDCDGDR-LSDHHAIUSA-N	368.433	2.410	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](CO)C[C@H](O)C(C)(C)C	806820764	NXUGIMCPTKDDOQ-RDJZCZTQSA-N	351.491	2.018	10	10	FECE	
CC(C)C[C@@H](CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1)C(=O)O	588592646	LWMMIQTVQGBPEX-AFCDSYGPSA-N	360.454	2.400	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc2c1CCN(C)C2=O	825309339	MGMNUQONWJUIFN-GFCCVEGCSA-N	369.421	2.479	10	10	FECE	
CN(C)c1ccc(/C=C\CN[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1	835049842	MQEPHXSDLXAYHI-GOVFWEMJSA-N	351.516	2.073	10	10	FECE	
CCn1ccnc1CNC(=O)NCc1cc(Br)ccc1O	836570261	BDYCINXDSAMYOK-UHFFFAOYSA-N	353.220	2.371	10	10	FECE	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@H](O)C2CCOCC2)cc1	912107739	WPKNYKWWVKRRPF-INIZCTEOSA-N	374.403	2.431	10	10	FECE	
COc1cc(CN2CCN(c3nncn3C)CC2)c(O)c(C(C)(C)C)c1	848497542	NFKZAQYGNAEFRH-UHFFFAOYSA-N	359.474	2.149	10	10	FECE	
COc1cc(Br)cc([C@H](C)N[C@H]2CCC(=O)N(C)C2)c1O	848528726	NSTRKAOBKKRUFR-ONGXEEELSA-N	357.248	2.435	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2ccc(-n3cncn3)cc2)cc1	844853653	ZTZZVMBHJOSJHO-UHFFFAOYSA-N	365.437	2.484	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CCS1	929804257	LEVQIUWNFLCJGU-CJNGLKHVSA-N	361.511	2.086	10	10	FECE	
CC(C)=CC[C@H]1NC(=O)N(Cc2ccc(N3CCOCC3)c(F)c2)C1=O	924488736	VETZDAXDLIMQHN-MRXNPFEDSA-N	361.417	2.439	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H]3NCCc4ccccc43)C2)cc1	852900278	KGAAVAVMYIAWPW-UZLBHIALSA-N	351.450	2.277	10	10	FECE	
COc1ccc(N2CCC(NC(=O)NC[C@@]3(O)C[C@H]4C=C[C@H]3C4)CC2)cc1	853642213	CGYCNQRRMJXLQO-QYWGDWMGSA-N	371.481	2.290	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C3CC3)[C@@H](CO)C3CC3)C2)cc1	854297686	QXPQJUKVONUZCJ-FFZOFVMBSA-N	373.497	2.370	10	10	FECE	
CC(C)(C)OC(=O)NCCCOCCNCc1cc2c(cc1O)OCO2	698779283	BQBHHZVBHOWQGX-UHFFFAOYSA-N	368.430	2.142	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCc4cnc(C)n4C3)C2)cc1	855227448	YXMQERHEHRWPTG-JKSUJKDBSA-N	354.454	2.158	10	10	FECE	
CCN(CC)c1ccc(CN2C(=O)N[C@H](c3ccn(C)n3)C2=O)cc1F	761247429	AVRUXMDIRIGWGF-MRXNPFEDSA-N	359.405	2.199	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)C3(N4CCOCC4)CC3)cc2)CC1	865604226	USLXVTLTXGUAGO-UHFFFAOYSA-N	357.498	2.404	10	10	FECE	
CC1(C)C(=O)Nc2ccc(S(=O)(=O)N3Cc4cccc(O)c4C3)cc21	867691249	STGMZBGPFDMPSB-UHFFFAOYSA-N	358.419	2.326	10	10	FECE	
C[C@@]1(Br)C[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1	862225587	BOIXGALTHOKWDR-NVXWUHKLSA-N	367.287	2.437	10	10	FECE	
COc1cc(Br)cc(CN2CCN(C(C)=O)C[C@H]2C)c1O	769448574	UOPAUTYUOKFSBT-SNVBAGLBSA-N	357.248	2.216	10	10	FECE	
COC[C@@H](CCNCc1c(C(=O)OC)n(C)c2ccc(F)cc12)OC	895229120	RQCAMKGWVLVQMN-CYBMUJFWSA-N	352.406	2.245	10	10	FECE	
COc1ccc(CNC(=O)N[C@H]2CCCN(c3ccccc3)C2=O)c(O)c1	793015688	DUVVTWHUWCMUQB-KRWDZBQOSA-N	369.421	2.396	10	10	FECE	
O=S(=O)(CC1CCOCC1)NCc1cc(Br)ccc1O	796190224	CNEVRLAENBGMFF-UHFFFAOYSA-N	364.261	2.001	10	10	FECE	
O=C(N1CCC[C@@H](CNCc2cc3c(cc2O)OCO3)C1)C(F)(F)F	689465778	WTIUVYBHXZNHNA-JTQLQIEISA-N	360.332	2.011	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1C[C@H]2C=C[C@H]1CC2	1335521316	BZMXQGCSXIWWPR-IEZWGBDMSA-N	353.466	2.374	10	10	FECE	
CC[C@](C)(O)Cn1c(C)nnc1N1CCCN(c2ccc(OC)cc2)CC1	1291360789	AJROOTPVJJKDRB-FQEVSTJZSA-N	373.501	2.473	10	10	FECE	
C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1ccc(O)c(O)c1	2118177222	ZKZLJUNFHXORTE-XBFCOCLRSA-N	362.426	2.425	10	10	FECE	
Cc1cnc(CC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)s1	1542180461	MNGDWOQJTQBWDM-HNNXBMFYSA-N	372.494	2.012	10	10	FECE	
CN(CC(=O)N(C)c1ccc(N)cc1)CC1(NC(=O)OC(C)(C)C)CC1	2121644709	OWMZASWILDQYTC-UHFFFAOYSA-N	362.474	2.221	10	10	FECE	
COc1cccc(O)c1CN[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12	2121670626	OLKUZYODVWYRIE-VBQJREDUSA-N	364.442	2.125	10	10	FECE	
NC(=O)c1cc(N(Cc2ccccc2O)C[C@H]2CCCO2)nc(Cl)n1	1612152109	SBVDQZZFFRFRJT-GFCCVEGCSA-N	362.817	2.120	10	10	FECE	
CN1CCN(c2ccncc2NC(=O)c2ccc(N=NC(N)=O)cc2)CC1	1625351410	HKPPWYILSBVRHG-UHFFFAOYSA-N	367.413	2.248	10	10	FECE	
Cc1cc(NC(=O)C2=S=c3c(cc[nH]c3=O)=C2)ccc1-c1ccncc1	1625332265	QWLUGUSXGFPRBD-UHFFFAOYSA-N	361.426	2.335	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)NC2CN(c3ccncn3)C2)cc1	1565243181	JTOUENKXOCITTK-UHFFFAOYSA-N	368.485	2.353	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)c1cc(N2CCCC2=O)ccc1F	156664666	GZQRXOOTXXCQOV-UHFFFAOYSA-N	358.369	2.336	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C12CC2	2132409324	DSLMAMRSSVYOGR-CYBMUJFWSA-N	364.398	2.075	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N(CCCO)Cc3ccccc3)cc2N1	1914622850	QMTLYPKMCNGDAG-UHFFFAOYSA-N	357.366	2.315	10	10	FECE	
CO[C@@]1(C(=O)N(C)Cc2ccccc2O)CCN(C(=O)OC(C)(C)C)C1	1968857719	QYCKTVWCVIKKSP-IBGZPJMESA-N	364.442	2.377	10	10	FECE	
Nc1ccc(OCCC(=O)NCCNC(=O)OCc2ccccc2)cc1	1977686336	APPDUKCUKJONFD-UHFFFAOYSA-N	357.410	2.080	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1	2049783027	QALVOASZCOXBIR-TVUHYWCHSA-N	356.438	2.285	10	10	FECE	
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2060633833	RWPMKBYEGUDLFU-OLZOCXBDSA-N	355.439	2.465	10	10	FECE	
C[C@@H]1COC[C@H](C(=O)NCC2(CN=[N+]=[N-])CC2)N1C(=O)OC(C)(C)C	2060622045	UVNYAZFVRXKJOY-VXGBXAGGSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](CO)(NCc2cc(F)ccc2O)C1	2070031099	OLXRSYJBLWIHGO-SFHVURJKSA-N	354.422	2.383	10	10	FECE	
Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])nc1CNC(=O)OC(C)(C)C	2225793515	XRKFKIMCEPWKKM-MNOVXSKESA-N	363.422	2.406	10	10	FECE	
COCCN1C(=O)C(=Cc2c(OC)ccc3ccccc23)C(=O)NC1=S	2297560454	WOIWRYRVMBPPSX-UHFFFAOYSA-N	370.430	2.122	10	10	FECE	
C[C@H]1N(C(=O)OC(C)(C)C)C[C@]1(NCc1ccc(N(C)C)cc1)C(=O)O	2349140873	RXBJBRSEMLQHKC-BFUOFWGJSA-N	363.458	2.305	10	10	FECE	
Nc1ccc(CC(=O)Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1	66153954	XNOJNDKFLSJILJ-GOSISDBHSA-N	353.422	2.359	10	10	FECE	
O=C(NC1CCCC1)C1=C2CCCN2c2ccc(F)cc2S1(=O)=O	65239715	CVMZWIUGXFRQMO-UHFFFAOYSA-N	350.415	2.484	10	10	FECE	
c1cc(N2CCOCC2)ccc1CNCCc1nnc2n1CCCCC2	67698276	RSXUUTFRIMWLPC-UHFFFAOYSA-N	355.486	2.173	10	10	FECE	
Cc1noc([C@H](C)N2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)n1	121282801	NQUQUJUXTXJAGK-INIZCTEOSA-N	371.485	2.093	10	10	FECE	
CCN1C(=O)C(=CN[C@H](C)c2ccc(F)c(F)c2)C(=O)N(CC)C1=S	72680455	MCTLTWGFYUQPLS-SNVBAGLBSA-N	367.421	2.495	10	10	FECE	
CS(=O)(=O)Cc1noc(CNc2ccccc2C(=O)c2ccccc2)n1	192587839	NLFWMEJYKGRUNU-UHFFFAOYSA-N	371.418	2.457	10	10	FECE	
CCCCOC(=O)[C@@H](C)NC(=O)/C=C\c1ccc(N2CCOCC2)cc1	255266913	BYYWCVKSLKHMLX-BSDKJSHOSA-N	360.454	2.384	10	10	FECE	
Cc1cc(Cl)cc(CN2CCC[C@@H](N3CCCS3(=O)=O)C2)c1O	279507600	WXLMZBASLGFHFO-OAHLLOKOSA-N	358.891	2.354	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2COCCC2=O)CCCC1	628875723	BMBJDXTZMCDFRR-MRXNPFEDSA-N	356.422	2.003	10	10	FECE	
Cc1ncc(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)s1	285009543	MIGSNANXHZRAEB-UHFFFAOYSA-N	372.494	2.325	10	10	FECE	
COc1ccc(N2CCN(CCN[C@H]3CCC34CCOCC4)CC2)cc1	800473727	BFLSVAYMFZNLKU-FQEVSTJZSA-N	359.514	2.366	10	10	FECE	
Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cccc(N2CCOCC2)c1	801831073	OFOKXQNUMLFXGZ-UHFFFAOYSA-N	360.345	2.405	10	10	FECE	
Cn1ccnc1CN1CCC[C@H](NCc2cc(Cl)c(F)cc2O)C1=O	816566868	JPAKFFRYVNCFRR-AWEZNQCLSA-N	366.824	2.199	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cn([C@@H]2CC[C@H]2O)nn1	900029197	SNKGEHJWOLJEOH-RTBURBONSA-N	369.469	2.236	10	10	FECE	
C[C@@H](NCCS(=O)(=O)N=S(C)(C)=O)c1ccc2ccccc2c1O	903226842	POFNLBNCRLTYKO-GFCCVEGCSA-N	370.496	2.253	10	10	FECE	
c1cc(N2CCN(CC3CC3)CC2)ccc1CN[C@H]1CCO[C@]12CCOC2	903131125	QNHUFGFXTAARRA-VXKWHMMOSA-N	371.525	2.256	10	10	FECE	
COc1ccc(N2CCN(C(=O)COC(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1	849860154	SXNJIAHPPVEQEB-LZQZEXGQSA-N	372.465	2.323	10	10	FECE	
Cc1ccc(C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)c(O)c1O	840531158	JBKQQDIUQISIES-UHFFFAOYSA-N	370.449	2.163	10	10	FECE	
CN(C)c1ccc(CNC(=O)[C@@H](C[C@@H]2COCCO2)C(F)(F)F)cc1	854271663	OUUXZSBSQOUZDD-HUUCEWRRSA-N	360.376	2.353	10	10	FECE	
CCOc1ccc(CNC[C@H]2CN(Cc3ccncc3)CCO2)c(O)c1	858306803	SEIYSWYKFMDYMS-IBGZPJMESA-N	357.454	2.177	10	10	FECE	
C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1	1119019065	IZSVGZQYZULBLP-MFKMUULPSA-N	356.344	2.424	10	10	FECE	
COC(=O)[C@@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1ccn(C)n1	787806148	AORJOQWHVBPESZ-SFHVURJKSA-N	366.421	2.472	10	10	FECE	
COC(=O)c1cc(C)c(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)o1	893606984	CHUTXDCTCIFGES-UHFFFAOYSA-N	371.437	2.056	10	10	FECE	
C[C@@H]1[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)CC(=O)N1Cc1ccccc1	799087768	OESMMELHRGQOFO-HQKWHGAHSA-N	366.417	2.417	10	10	FECE	
Nc1ncc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-]	1142844028	JIYOIIBAVALRPX-UHFFFAOYSA-N	355.398	2.492	10	10	FECE	
CCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(C)C1=O	1084363174	AUXYLLRHWNCLNZ-FLIBITNWSA-N	367.199	2.330	10	10	FECE	
CC(C)(C)OC(=O)CC[C@H]1C[C@@H](C(=O)NCc2c(O)cccc2O)CO1	1304053944	WZIABZFLEWJQBT-OLZOCXBDSA-N	365.426	2.241	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H]1C(C)(C)C1(F)F	1327256299	UCOYSJZWERVFTH-AWEZNQCLSA-N	353.413	2.119	10	10	FECE	
COC(=O)c1cc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)on1	1298830657	XQKDRZPTZZIBSE-UHFFFAOYSA-N	363.333	2.423	10	10	FECE	
COc1nsc(C(=O)NCc2ccc(O)c(O)c2)c1Br	1294869869	OUPHVFCXJDPLLX-UHFFFAOYSA-N	359.201	2.255	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1c(C(F)F)nc2cnccn12	1466791224	RDKWAWITDCXMSQ-SECBINFHSA-N	362.336	2.439	10	10	FECE	
COC(C)(C)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1479148151	DNDLXPUNAWSUBK-KRWDZBQOSA-N	350.507	2.470	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](CO)[C@@H]2CCOC2)c1	1546304411	ILINUMKAJMSJHW-VQIMIIECSA-N	356.422	2.034	10	10	FECE	
O=C(NCc1ccc(O)cc1O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1	1639441037	HBNTZUZCVVLVHQ-MRXNPFEDSA-N	366.417	2.256	10	10	FECE	
COCc1nc(NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc(OC)n1	1640510322	AJRJDNBBBOVHJX-MRXNPFEDSA-N	359.474	2.412	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)NCc2ccc(O)c(O)c2)[C@H]2C[C@H]21	1566359780	NLIUJRPGDMUUNF-RFQIPJPRSA-N	362.426	2.263	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(O)c(O)c2)N(C)C)cc1	1647138511	BJAJQOBKZMYNRC-QGZVFWFLSA-N	357.454	2.125	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@@H]2CCOC2)n1CCC1(O)CCC1	1747750584	UCIWWHNYUSGNDU-MRXNPFEDSA-N	372.469	2.429	10	10	FECE	
CN(CCN=[N+]=[N-])CC(=O)Nc1cccc(I)c1	1912142977	ZOYITNOUSGKHNB-UHFFFAOYSA-N	359.171	2.472	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCCCNC(=O)[C@@]23CCC[C@@H]2C3)cc1	1758198352	NVEAGRDBCZFKEQ-FZKQIMNGSA-N	357.414	2.275	10	10	FECE	
O=C(NCc1nc2ncccn2n1)NCc1cc(Cl)cc(Cl)c1O	1673738020	SNNMXRPBHBZAMD-UHFFFAOYSA-N	367.196	2.136	10	10	FECE	
C[C@@H](O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(N=NC(N)=O)cc1	1692103255	YMNNKUVKQQNPCU-IOASZLSFSA-N	361.446	2.060	10	10	FECE	
C[C@H](NCC1CCN(CCO)CC1)c1ccc(N2CCC(O)CC2)cc1	151791748	OMABNXCMBQGGBP-KRWDZBQOSA-N	361.530	2.003	10	10	FECE	
C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(O)c(O)c(O)c1	2132348040	CJDJBHLOCVZTRN-XJKSGUPXSA-N	356.422	2.444	10	10	FECE	
C[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H](C)N1C(=O)OC(C)(C)C	2132402901	GGBVCONSMRPLQF-GHMZBOCLSA-N	366.414	2.273	10	10	FECE	
C[C@H]1C[C@]1(C)NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136257504	ZUCYRYKZQRTNKQ-BLWXERESSA-N	364.442	2.448	10	10	FECE	
C[C@H](c1cc(O)ccc1O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1	2136335380	IPCRDWACGQLFJB-ZMZPIMSZSA-N	366.414	2.213	10	10	FECE	
Nc1ccc(O)c(CN2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)c1	1977894711	STNQESNYMDIFHT-HHXXYDBFSA-N	353.422	2.474	10	10	FECE	
C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1[C@H](C)C(=O)Nc1ccc(N)cc1	2162947646	JEERWRFSAYAXHJ-GYSYKLTISA-N	372.391	2.127	10	10	FECE	
COc1cccc(CNC[C@@]2(NC(=O)OC(C)(C)C)CCOC2)c1O	688537216	QINSBCBKIDGJSZ-SFHVURJKSA-N	352.431	2.174	10	10	FECE	
C[C@H](N)c1ccc(N2CCS(=O)(=O)[C@H](C)[C@H]2C)cc1Br	2170273547	IHKOAJUCHQPGPL-HBNTYKKESA-N	361.305	2.481	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CCCN1S(=O)(=O)Cc1ccc(N)cc1	2044646990	WAJDAHACJAMKKW-OAHLLOKOSA-N	369.487	2.088	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1	2049783026	QALVOASZCOXBIR-RSLFNQERSA-N	356.438	2.285	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)NCC1(CN=[N+]=[N-])CC1	2060635141	IQBIZIJAMHJFGI-LBPRGKRZSA-N	353.423	2.219	10	10	FECE	
CN(C(=O)CN1CC[C@@](C)(NC(=O)OC(C)(C)C)C1)c1ccc(N)cc1	2106691013	RFKIDPFMEKEGRI-LJQANCHMSA-N	362.474	2.221	10	10	FECE	
COCCOCCN(Cc1ccccc1)c1ccc2c(c1)NC(=O)[C@@H]2O	2095880096	VREYZTSNRFLZIP-LJQANCHMSA-N	356.422	2.342	10	10	FECE	
COCC1(NC(=O)OC(C)(C)C)CC(NCCc2ccc(O)c(O)c2)C1	2096487604	IJIGPMRPOPNMOO-UHFFFAOYSA-N	366.458	2.302	10	10	FECE	
CSC1(C(=O)NCc2ccccc2O)CN(C(=O)OC(C)(C)C)C1	2300102472	SXYQFQGQBYXZPJ-UHFFFAOYSA-N	352.456	2.361	10	10	FECE	
COc1cccc(O)c1CNc1c(I)cnn1C	2328400780	XTCOUELQGJSCSQ-UHFFFAOYSA-N	359.167	2.351	10	10	FECE	
CCOCCN1CCN(C(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1CC	116927986	XJFDBEKCIOUZSD-SFHVURJKSA-N	362.518	2.395	10	10	FECE	
C[C@@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)CC1(C)OCCO1	174375477	DVDHRYYGIDRAAX-ZGRWHYIRSA-N	374.481	2.442	10	10	FECE	
O=C(c1ccc(O)c(O)c1)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21	404158055	IFGCDGCMZFSTHE-PXNSSMCTSA-N	368.433	2.213	10	10	FECE	
CC1=NN2C(=N)/C(=C\c3coc4ccc(O)cc4c3=O)C(=O)N=C2S1	33531685	OLZVCDGMQSZCPG-GRENUBPVSA-N	354.347	2.138	10	10	FECE	
CC[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CCN1C[C@@H](C)O	184864836	DJYCGCYMMQRXBD-MJGOQNOKSA-N	374.529	2.273	10	10	FECE	
COc1cc(O)c(CN2CCOC[C@H]2C[C@H](O)c2ccco2)cc1OC	271894293	XTWDXKNLMVVJMW-ZBFHGGJFSA-N	363.410	2.327	10	10	FECE	
Cc1cc(C(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C)c(C)n1-c1ccccn1	285840178	JUMIVJZPRWFKIK-WBVHZDCISA-N	359.470	2.377	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1F)CCNC2=O	284718949	ARHCGIXEBHINNI-JTQLQIEISA-N	373.384	2.276	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H]3C(F)F)cc2F)CC1	800884751	XHEBVCAUYHNXRF-KBPBESRZSA-N	355.404	2.485	10	10	FECE	
COC(=O)[C@@H]1CSCCN(Cc2ccc(Br)cc2O)C1	826130031	CVXUAHVAUNYYHU-NSHDSACASA-N	360.273	2.493	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)c2cn([C@H]3CCCNC3)nn2)cc1F	829039040	SRZOHWQYLDQQFE-HNNXBMFYSA-N	374.464	2.118	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCOC3)cc2F)C[C@H](C)O1	822728244	KDEFBNYQKFXQAM-KCQAQPDRSA-N	351.422	2.027	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NCC1CCN(C(=O)C(F)(F)F)CC1	588405701	KUEWZZNWRKPRTA-RQOWECAXSA-N	372.343	2.028	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CC4CC3(C(F)(F)F)C4)nc12	839199617	NWIGLXXTOBRRHV-UHFFFAOYSA-N	370.331	2.138	10	10	FECE	
C[C@H](NC[C@H]1CS(=O)(=O)c2ccccc2O1)c1cc(F)ccc1O	842885172	WKHWAXLHMRQBPQ-AAEUAGOBSA-N	351.399	2.417	10	10	FECE	
CCN(CC)c1ccc(CN2C(=O)N[C@H](CCC3OCCO3)C2=O)cc1	924487063	ICOAVOWYGNEUEJ-MRXNPFEDSA-N	361.442	2.106	10	10	FECE	
CCC[C@@H](C)[C@H](CO)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	844898423	VPZTZXCGENNVNB-PBHICJAKSA-N	367.465	2.259	10	10	FECE	
O=C(NCCO[C@H]1CC1(F)F)NCc1cccc(Br)c1O	852528248	RVNBONKOTYWOBO-JTQLQIEISA-N	365.174	2.378	10	10	FECE	
CCC[C@@H](O)CC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	769165092	OYKPYCBNNRVQOA-HXUWFJFHSA-N	359.514	2.386	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc3nc(C)cn3c2)c1	774213512	NVALMWHQKBMKTO-GFCCVEGCSA-N	368.393	2.173	10	10	FECE	
CCOC(=O)[C@@H](F)C1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1	897843501	YWRBUKNUIAFLJH-AWEZNQCLSA-N	353.371	2.286	10	10	FECE	
Cc1nc2cc(NCc3ccc(F)c(F)c3O)ccc2n1C(CO)CO	894919568	QTDIGTFANHGSOB-UHFFFAOYSA-N	363.364	2.466	10	10	FECE	
CC(C)Oc1cc(NC(=O)NCCc2ccc(O)c(O)c2)ccc1C(N)=O	788771065	JKHGUKOCFHSVHU-UHFFFAOYSA-N	373.409	2.348	10	10	FECE	
CN1CCc2cc([C@H](CN)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)ccc21	1881173500	KFXHSEBGVOREIE-AEFFLSMTSA-N	360.502	2.278	10	10	FECE	
CN(Cc1ccccc1O)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc21	1312746103	CMVKJPAYZPGJFS-AWEZNQCLSA-N	360.435	2.105	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1C[C@@H]1c1ccccc1	1322964675	DRJIPLPFMLPCAK-MOPGFXCFSA-N	351.450	2.350	10	10	FECE	
COc1cc(N2CCN(c3nc(C)ncc3C)CC2)cc(OC)c1OC	1261558477	HVJYWSPTUHBKBZ-UHFFFAOYSA-N	358.442	2.446	10	10	FECE	
CN(C)CC1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1	1465952275	ZGYZPERKVWLWKT-INIZCTEOSA-N	365.905	2.468	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCc1cccnc1OCC(F)(F)F	1629844121	GOSLKMHUNFJSCE-UHFFFAOYSA-N	356.300	2.293	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C	2124152712	BVRYGYUDFGCWIR-YDHLFZDLSA-N	364.442	2.282	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2COCC[C@]2(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)C1	2124518431	XTVRFHACTQAJEV-XNJGSVPQSA-N	365.434	2.171	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O	1635843533	WFKGJDXEZDBTEQ-ZDUSSCGKSA-N	360.797	2.421	10	10	FECE	
CC(C)[C@@H](C(=O)NCc1cc(O)ccc1O)N1C(=O)c2ccccc2C1=O	1644752379	CYXRYNDVNSKEJD-KRWDZBQOSA-N	368.389	2.035	10	10	FECE	
COc1ccc(CN[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2cncn2C)cc1C	1662340842	SCKLYDAMPYVGGA-USXIJHARSA-N	356.470	2.135	10	10	FECE	
CCOCc1nnc(N2CC[C@@H](OC)C2)n1Cc1ccc(N(C)C)cc1C	1767982478	HQMVOZZFIZHZMC-GOSISDBHSA-N	373.501	2.462	10	10	FECE	
Cc1cccc(C(=O)N2CCC(NC(=O)c3cc(O)c(O)c(O)c3)CC2)c1	169859762	VTPNKAAEZTVFAR-UHFFFAOYSA-N	370.405	2.146	10	10	FECE	
CCOc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cn1	154740073	FIZIYIFDVVGROL-UHFFFAOYSA-N	356.426	2.143	10	10	FECE	
CN[C@H](c1ccccc1O)[C@@H](O)[C@]1(C)COCCN1C(=O)OC(C)(C)C	2136532920	CKAXJAJRCIQHEJ-MDZRGWNJSA-N	366.458	2.040	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNCc3ccc(O)c(O)c3O)[C@H]2C1	2027109019	GZZNZWVCBNFNKO-XYYAHUGASA-N	350.415	2.006	10	10	FECE	
C[C@H](N[C@H]1COCC[C@H]1NC(=O)OC(C)(C)C)c1cc(O)ccc1O	2031531515	CBZINESWEDFOIO-GLQYFDAESA-N	352.431	2.431	10	10	FECE	
CN[C@@H](Cn1cc(CNC(=O)OC(C)(C)C)nn1)c1ccc(N(C)C)cc1	2163132547	CZFUSQPVPWQSOX-KRWDZBQOSA-N	374.489	2.330	10	10	FECE	
CN1CC[C@@](CN)(N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)C1	2194858690	DKCLCZATHCOCHS-NRFANRHFSA-N	374.529	2.497	10	10	FECE	
COc1ccc(N2CCO[C@H](CCNC(=O)OC(C)(C)C)C2)c(N)c1	2055861980	JOYXBDFQHIBHQQ-CQSZACIVSA-N	351.447	2.397	10	10	FECE	
C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060636513	YRYNWQWKJZWIQQ-FRRDWIJNSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C1	2060633012	ITUNUCHGXWAYLJ-WBMJQRKESA-N	353.423	2.050	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)C1	2060611852	ZBHLUUCKYCHQLD-BLLLJJGKSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)COc2ccc(N)cc2)C1	2106235453	OHAKLRRCFFYIAK-UKRRQHHQSA-N	363.458	2.457	10	10	FECE	
CN(C(=O)[C@H]1CC[C@H](C(=O)O)N1Cc1ccccc1)c1ccc(N)cc1	2106307023	HNONAORIIGTUIL-QZTJIDSGSA-N	353.422	2.349	10	10	FECE	
C[C@@H]1CCN(CCOc2ccc(N)cc2)[C@H](C)[C@@H]1NC(=O)C(F)(F)F	2106753441	IUYSTIRAUSYVRC-LALPHHSUSA-N	359.392	2.425	10	10	FECE	
COc1ccc([N+](=O)[O-])cc1C=C1C(=O)NC(=O)N(c2ccccc2)C1=O	2294130767	GBHOKGNPSXJVAW-UHFFFAOYSA-N	367.317	2.270	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)C=Cc2ccc(O)c(O)c2)C(=O)N1c1ccccc1	2307987993	WGRZEGJZYWBDMS-XJKSGUPXSA-N	352.390	2.421	10	10	FECE	
CCCC1=NN(c2ccccc2)C(=O)C1=C(C)NCCN1CCOCC1	2313681789	NIGFTGICETYGKT-UHFFFAOYSA-N	356.470	2.385	10	10	FECE	
COc1ccc(O)c(CNCCN(C[C@H](C)O)C(=O)OC(C)(C)C)c1	305881168	AXUOUTUMUFGOOP-ZDUSSCGKSA-N	354.447	2.108	10	10	FECE	
C[C@H]1CN(Cc2cc(Br)ccc2O)C[C@@H]1N1CCOCC1	180224125	BDBUCASWGVFBKW-WFASDCNBSA-N	355.276	2.307	10	10	FECE	
COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@@H](OC(C)=O)C2=O	14643660	WWYQJKVSCKMFCP-ROUUACIJSA-N	360.318	2.060	10	10	FECE	biogenic
CCCCN(C(=O)[C@@H](C)Sc1nccs1)[C@H]1CCS(=O)(=O)C1	194356992	NDRFZEBLQSWHRX-NEPJUHHUSA-N	362.542	2.440	10	10	FECE	
COC1CCN(c2ccc(CN(C)[C@@H]3CCN4CCO[C@H]3C4)cc2)CC1	295330085	HHGDJXRISMPNAB-RTWAWAEBSA-N	359.514	2.207	10	10	FECE	
COc1ncc(/C=C/C(=O)NCc2cc(Br)ccc2O)cn1	804739231	BSFUTTJWEHVHBU-GORDUTHDSA-N	364.199	2.283	10	10	FECE	
O=C(NCc1ccccc1O)NC1CCN(C(=O)c2ccccc2)CC1	299506240	MVHFUNXDQMLAMT-UHFFFAOYSA-N	353.422	2.496	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(C3CC3)n2)c1	815470793	KEFNFEQDDRRYEH-NSHDSACASA-N	355.394	2.489	10	10	FECE	
CC(C)n1ncc2c1C[C@@H](N1C(=O)CN(Cc3ccccc3O)C1=O)CC2	819167609	FUGOXNUUMICOIP-INIZCTEOSA-N	368.437	2.491	10	10	FECE	
C[C@@H](NC(=O)N1CCOC2(CCN(C)CC2)C1)c1ccc(N(C)C)cc1	826946184	LBXIWTZEDFDRSK-MRXNPFEDSA-N	360.502	2.320	10	10	FECE	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H](O)C1CCC1	827311290	XYJOOEGVKZQGKJ-RDJZCZTQSA-N	352.862	2.287	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3CCN(CCO)C[C@H]3C)c2C)cc1	837193565	VZOVVNBWWVIBOG-MRXNPFEDSA-N	371.481	2.241	10	10	FECE	
Cc1cc(CC(=O)NC[C@H](O)c2cnn(C)c2)c(C)n1-c1ccccc1	830272941	SPNGDKQTSKYCMJ-IBGZPJMESA-N	352.438	2.220	10	10	FECE	
CC[C@H](NC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1)C(F)F	836259324	GSXPNFOEDZVWQD-INIZCTEOSA-N	370.444	2.160	10	10	FECE	
CN(C)C(=O)[C@H]1CCCN1CCCNC/C=C\c1ccc(N(C)C)cc1	835038698	YDGWUBYUQBTRDA-DASIIQCKSA-N	358.530	2.298	10	10	FECE	
Cc1cc(C(=O)N2CC[C@](O)(C(=O)O)C2)c(C)n1-c1cccc(Cl)c1	910528656	AADNFZZWUYEBQX-GOSISDBHSA-N	362.813	2.409	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)Nc2nccc(N(C)C)n2)cc1	844606581	YSOZPVVYWIEKBS-UHFFFAOYSA-N	358.446	2.151	10	10	FECE	
CN(C)c1ccc(CNS(=O)(=O)c2cnn(C3CCC3)c2)cc1F	914014069	MEFLJRHCCRHYKX-UHFFFAOYSA-N	352.435	2.292	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)CCc1ccc(OC)nc1	911311997	VSKAEVMIEQNMRW-UHFFFAOYSA-N	372.421	2.320	10	10	FECE	
COc1cc(Br)cc(CNC[C@@H](OC)[C@@H]2CCOC2)c1O	850344067	ATDQFIYQZAUEQD-QMTHXVAHSA-N	360.248	2.304	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cc(O)ccc3[N+](=O)[O-])C2)cc1	855223278	FCPDZSAADPIDNC-GFCCVEGCSA-N	357.366	2.318	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1CCNC(=O)CC1	861995410	AMHIKMSJVPKILA-MRXNPFEDSA-N	353.422	2.305	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3CCn4c(O)nnc4C3)c2C)cc1	763215816	CCBBDGKBCBYBBL-UHFFFAOYSA-N	367.409	2.056	10	10	FECE	
Cc1nnccc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	776487431	MKQBZOYYHNAASR-UHFFFAOYSA-N	355.442	2.315	10	10	FECE	
CC(C)[C@](C)(O)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	771447046	ZDRDUFXZDIVMDH-NRFANRHFSA-N	359.514	2.242	10	10	FECE	
CCOC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N(C)C)cc1C	1136743787	BUUBOOZNZSICNI-HNNXBMFYSA-N	351.472	2.209	10	10	FECE	
COC(=O)c1c(CNC[C@@]2(O)CCSC2)c2cc(F)ccc2n1C	894325210	GDMWIOHCKGWQOD-KRWDZBQOSA-N	352.431	2.062	10	10	FECE	
COc1ccc(Br)c(CN[C@H](C)[C@H](CO)SC)c1O	1964050015	XTWNNBUMEHOTFM-PELKAZGASA-N	350.278	2.365	10	10	FECE	
CC[C@H](CC(=O)NCCc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	1963320254	SJZNJABNSOTLLO-CYBMUJFWSA-N	352.431	2.450	10	10	FECE	
COc1ccc(F)cc1CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	1342637486	YWFSPZVFOZOKOA-ZDUSSCGKSA-N	373.428	2.394	10	10	FECE	
COC(=O)[C@H]1CCc2sc(NC(=O)Cc3ccc(O)c(O)c3)nc2C1	1451821355	FFLCOWFVFALKQH-JTQLQIEISA-N	362.407	2.013	10	10	FECE	
CC(=O)c1cn(CC(=O)N(Cc2ccco2)Cc2ccccc2O)nn1	1294673103	YFVOVIRQALZXQH-UHFFFAOYSA-N	354.366	2.008	10	10	FECE	
O=C(CNC(=O)c1cc2cc(O)c(O)cc2s1)NCc1ccccc1	1624439914	BVTRVSXRRVMMSV-UHFFFAOYSA-N	356.403	2.359	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@H]2CCC(=O)N(C)C2=O)c1	1557117179	NSZQCKFIAYBOIT-INIZCTEOSA-N	353.422	2.280	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(F)c(F)cc1N	1627013881	MNUXVDIBPWGJBD-UHFFFAOYSA-N	364.348	2.458	10	10	FECE	
CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C)c1ccccc1O	1635798963	KFBYFJMFFZOIQZ-CJNGLKHVSA-N	358.442	2.066	10	10	FECE	
CN(C)CCN(Cc1ccccn1)C(=O)c1ccc(N=NC(N)=O)cc1	1565667029	NNCGISAUVRCQMM-UHFFFAOYSA-N	354.414	2.448	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2124540706	KPEPYTUSMBPXKQ-GUYCJALGSA-N	367.450	2.440	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccn(C(F)F)n1	1637247655	RZFKARCTWSYBOM-UHFFFAOYSA-N	373.743	2.453	10	10	FECE	
CON(C)C(=O)[C@@H](C)NC(=O)NCCc1cc(C)n(-c2ccccc2)c1C	1683140701	COLJHBMJHXXPCR-OAHLLOKOSA-N	372.469	2.344	10	10	FECE	
O=C(CCn1c2c(c3ccccc31)CCCC2)NC[C@H]1CN2CCN1CC2	1850341130	QXLOKRJCBIOREU-KRWDZBQOSA-N	366.509	2.026	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCN(CC(=O)Nc3ccc(N)cc3)[C@H]2C1	2132354901	SORJVSOMLPECRX-BBRMVZONSA-N	360.458	2.149	10	10	FECE	
CC1(C)[C@H](CNCc2cc(Br)ccc2O)CCS1(=O)=O	1967856563	ALGYQLPTEMCPND-NSHDSACASA-N	362.289	2.458	10	10	FECE	
COc1cccc(CNC[C@@H]2CO[C@H](CNC(=O)OC(C)(C)C)C2)c1O	1967888704	KMTUZNYMDATIJC-HIFRSBDPSA-N	366.458	2.420	10	10	FECE	
CNCc1ccc(N(C)[C@@H]2CS(=O)(=O)C2(C)C)c(Br)c1	2153858086	WGUIZQCMHRHRGK-CYBMUJFWSA-N	361.305	2.180	10	10	FECE	
O=S1(=O)CC[C@@]2(CCCN2Cc2c(O)cccc2Br)C1	2158463522	YNJPPKQLLWXMCV-AWEZNQCLSA-N	360.273	2.308	10	10	FECE	
CN(C)c1ccc(CNCC2=NO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)cc1	2183633654	RYOJIHXPSYFBKV-FUHWJXTLSA-N	374.485	2.464	10	10	FECE	
CN(C)c1ccc(CNCC2=NO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)cc1	2183633653	RYOJIHXPSYFBKV-AEFFLSMTSA-N	374.485	2.464	10	10	FECE	
CC(C)(C)OC(=O)NCC[S@](C)(=O)=NC(=O)CCc1ccc(N)cc1	2044649654	CQIQRFZPYXMTFS-VWLOTQADSA-N	369.487	2.351	10	10	FECE	
Nc1ccc(-n2ccc(C(=O)N(OCc3ccccc3)C3CNC3)n2)cc1	2191719206	FORZCJWFXQHRTP-UHFFFAOYSA-N	363.421	2.000	10	10	FECE	
COCC[C@@]1(C(=O)N(C)CCN=[N+]=[N-])CCN(C(=O)OC(C)(C)C)C1	2082285612	PLKABRJUOVLMHF-INIZCTEOSA-N	355.439	2.419	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1CC(=O)N(C)c1ccc(N)cc1	2106682811	XTKCJTVADIJXFP-DZGCQCFKSA-N	362.474	2.219	10	10	FECE	
C[C@H]1CN(C(=O)CCOc2ccc(N)cc2)C[C@H]1NC(=O)OC(C)(C)C	2106772684	HMRDHLXLIBHUQJ-XJKSGUPXSA-N	363.458	2.409	10	10	FECE	
CN(C)c1ccc([C@H](N)[C@H](NC(=O)OC(C)(C)C)c2cn(C)nn2)cc1	2110394600	OWJPNPCLCQRHEF-JKSUJKDBSA-N	360.462	2.147	10	10	FECE	
C[C@H](CN(C)C(=O)OC(C)(C)C)N(C)C[C@@H](O)COc1ccc(N)cc1	2111822604	NKZXYVWCVMUFJM-GDBMZVCRSA-N	367.490	2.196	10	10	FECE	
O=C(O)CC[C@H](C(=O)O)N1C(=O)C(=CC=Cc2ccco2)SC1=S	2296262883	JKZNDTLNXHXHKA-SNVBAGLBSA-N	367.404	2.355	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)CN1CCC[C@H](NC(=O)OC(C)(C)C)C1	2315993302	ZXJIPIPJFHYRKR-ZDUSSCGKSA-N	354.455	2.134	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)N[C@@H]3CCC[C@@H]3N=[N+]=[N-])CO[C@H]1C2	2334184253	UPPSFSUWGGUPDF-DMGVNNLFSA-N	365.434	2.406	10	10	FECE	
C[C@H]1C[C@H](C(=O)N2CCc3cc(O)c(O)cc3C2)N1C(=O)OC(C)(C)C	2341194526	UYIHQCAQJCCLPR-SMDDNHRTSA-N	362.426	2.380	10	10	FECE	
COc1cccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(F)cc3)C2=O)c1	100369178	WHSXJMPTDWUZAL-XNTDXEJSSA-N	355.325	2.413	10	10	FECE	
CCCN[C@H]1C(=O)Nc2cc(N3CC[C@H](O)C3)c(Br)cc21	118712342	HJDFGWQHIRCYAV-LKFCYVNXSA-N	354.248	2.013	10	10	FECE	
O=C1c2ccccc2C(=O)c2c1cccc2C(=O)N1CCN2CCC[C@@H]2C1	175329554	KTZPQLGTPCWXHT-CQSZACIVSA-N	360.413	2.382	10	10	FECE	
Cc1cc(Cl)cc(CN2CCC(C(=O)NCCN(C)C)CC2)c1O	179892521	DRTDSNYHFAJHEG-UHFFFAOYSA-N	353.894	2.244	10	10	FECE	
Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)c(O)c1O	182459509	MEWCJXNUXLFJOP-WMLDXEAASA-N	355.438	2.442	10	10	FECE	
NC[C@H]1CCN(S(=O)(=O)c2cccc3nsnc23)c2ccccc21	634533174	GPXVAVFKOOSHMG-LLVKDONJSA-N	360.464	2.333	10	10	FECE	
COc1cccc(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1O	813489294	UYTLBBGCNZSBCH-UHFFFAOYSA-N	352.293	2.446	10	10	FECE	
COC(=O)CCCCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	726245570	KPHQJHZLZUEQRZ-HNNXBMFYSA-N	363.458	2.227	10	10	FECE	
CC1(C)OC[C@H]2C[C@@]21C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	829264364	PPJGJOZFBCCDMJ-VLIAUNLRSA-N	362.445	2.218	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3COC(C)(C)C3)cc2)CC1	828013536	DBUHZSCIXQAKRG-KRWDZBQOSA-N	373.497	2.223	10	10	FECE	
O=C1NCCN1c1cccc(NS(=O)(=O)c2cc(F)cc(F)c2O)c1	821151025	RQWIVVNRQWSFDZ-UHFFFAOYSA-N	369.349	2.001	10	10	FECE	
CCN1CCN(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)C(C)(C)C1=O	588526613	JJZNVBIGJKPOFZ-YFHOEESVSA-N	371.481	2.006	10	10	FECE	
O=C(COc1ccc(O)cc1)NCc1ccc(N2CCC(CO)CC2)cc1	746280666	SJWIIVZOOQJOMF-UHFFFAOYSA-N	370.449	2.296	10	10	FECE	
CC(=O)N[C@@H](CC(=O)OCC(=O)c1ccc(O)c(O)c1)c1ccccc1	916594865	RRWNJPCHYQQBQD-HNNXBMFYSA-N	357.362	2.091	10	10	FECE	
COC(=O)C1CCC(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1	914391744	MTMPTNZEBWFHOD-KTAKPFMOSA-N	368.499	2.465	10	10	FECE	
CC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCCCO1	848932424	ZAYVROZFHLDDMU-RTBURBONSA-N	373.497	2.367	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)CCc3cccs3)C2)cc1	849415701	FJQCPEVORCNXJI-AWEZNQCLSA-N	366.508	2.498	10	10	FECE	
COC(=O)c1nc(C(=O)N(C)CCN(C)c2ccc(OC)cc2)cs1	911893311	QJLRHLHXTNEDNX-UHFFFAOYSA-N	363.439	2.147	10	10	FECE	
CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2c(O)ccc3ccncc23)C1	842643795	OXWFNCYRCBSSDO-MRXNPFEDSA-N	353.344	2.441	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Nc3ccc(F)c(C(N)=O)c3)C2)cc1	853292363	CWDFKLMUWUVVGH-CYBMUJFWSA-N	372.400	2.334	10	10	FECE	
COc1ccc(N2CC[C@@H](N3C(=O)N[C@@H](CC4CCOCC4)C3=O)C2)cc1	924976910	FVESFJQEAYSWIB-AEFFLSMTSA-N	373.453	2.011	10	10	FECE	
C[C@@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(C)(C)C	852401113	FSPSBFQKDGBGAD-CQSZACIVSA-N	367.515	2.155	10	10	FECE	
COc1ccnc(N2CCN(Cc3cc(F)c(N(C)C)cc3F)CC2)n1	862217719	POOOJTLCRJFZRE-UHFFFAOYSA-N	363.412	2.152	10	10	FECE	
COc1ccc(N2CCCN(C(=O)[C@@]3(CC(C)C)CCNC3=O)CC2)cc1	864950510	YIAYEDIRKGTRIK-OAQYLSRUSA-N	373.497	2.286	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCC[C@@H](S(C)(=O)=O)C2)c1	764678232	LGRZZTSJOXMGTE-GFCCVEGCSA-N	362.289	2.472	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3C[C@]4(C)CNC[C@]4(C)C3)C2)cc1	861648065	RFSKRLCYNAAILA-HBGVWJBISA-N	372.513	2.163	10	10	FECE	
O=C([C@H]1CCCN1C(=O)OCC(F)(F)F)N1Cc2cccc(O)c2C1	871202696	LLYDZHASYRBCJZ-GFCCVEGCSA-N	358.316	2.398	10	10	FECE	
CN1[C@H]2CC[C@H]1CC(NCc1ccc(N3CCC(C(N)=O)CC3)cc1)C2	886746978	IBAUECRXKZKNKM-PMACEKPBSA-N	356.514	2.103	10	10	FECE	
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	891243292	KYHYEMBJXGYNLF-RCCFBDPRSA-N	361.486	2.061	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@](CO)(C(F)(F)F)C2)c1O	895837955	YTOFQKHEDGIXTO-CYBMUJFWSA-N	350.293	2.056	10	10	FECE	
COc1cc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)ccc1O	797820340	SIPNSQGNJGMVOG-UHFFFAOYSA-N	370.770	2.290	10	10	FECE	
CCN1CCN(C(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)CC1=O	1153920198	OCIBSHZOSTWKCG-UHFFFAOYSA-N	367.449	2.140	10	10	FECE	
CCN1C[C@@H](C)N(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C[C@@H]1C	1313211790	KPZCAJDUXYFTPV-ZWKOTPCHSA-N	373.545	2.063	10	10	FECE	
C[C@@H]1CSCCCN1C(=O)C(=O)NCCCSc1nccs1	1332702189	ZXRYTLZIQPTISX-LLVKDONJSA-N	359.542	2.096	10	10	FECE	
CN(C)CCC[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CCO1	1347237213	GQXBSCRIWBPSSU-INIZCTEOSA-N	366.481	2.144	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2cccc(Cn3cncn3)c2)cc1F	1519266640	YUTHHVLPRVMRCA-UHFFFAOYSA-N	353.401	2.462	10	10	FECE	
CCN[C@H](c1ccccc1O)[C@H](O)[C@H]1COCCN1C(=O)OC(C)(C)C	2116193486	YSDDGZLNAFQRHJ-DJIMGWMZSA-N	366.458	2.040	10	10	FECE	
CC1=NNC(=O)[C@H]1CCNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C	1464889318	MSVSENJRPLQARR-INIZCTEOSA-N	366.421	2.148	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC(C)(C)[C@H]4COC[C@H]43)C2)cc1	1470771370	DWOWMDUZTLRUGR-FHLIZLRMSA-N	359.470	2.340	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)[C@H]3COc4ccccc4C3)cc2)CC1	1625141205	PBJVWXAEZNAULM-LJQANCHMSA-N	365.477	2.306	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(NC=O)cc1	1638529295	KLMBGKCSFKWTIQ-UHFFFAOYSA-N	356.378	2.166	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](C(=O)NCC1(CN=[N+]=[N-])CC1)[C@H]1CCOC1	2124508424	PFGQUAKJUQBCHK-STQMWFEESA-N	367.450	2.371	10	10	FECE	
C[C@H](NC(=O)NCc1ccc(-c2nncnn2)cc1)c1ccccc1O	1682410334	RJCRKPQUNRTFDJ-LBPRGKRZSA-N	350.382	2.200	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCO[C@H]2c2ccc(O)nc2)c1	1684638766	SJIGLWHKFMCRFZ-MZKGEVEHSA-N	373.409	2.392	10	10	FECE	
CC(C)(C(=O)O)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S	1858594426	YWWPOZUQJYJDRI-IZZDOVSWSA-N	351.405	2.480	10	10	FECE	
Nc1ccc(OC[C@H](O)CN(Cc2ccccc2)C2(CO)CCC2)cc1	1915739705	MQOXWMMCBWASMW-LJQANCHMSA-N	356.466	2.426	10	10	FECE	
COc1cc(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)ccc1CN	2139699017	PWUNGUYWIXXLOO-OAQYLSRUSA-N	355.482	2.227	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](CC(=O)NCc2ccccc2O)O1	1969154567	OWACLGDXVODNFP-UKRRQHHQSA-N	364.442	2.423	10	10	FECE	
CCCn1nnnc1CNCc1cc(Cl)cc(Br)c1O	2169373430	RRCPQNAFWYNVFM-UHFFFAOYSA-N	360.643	2.494	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3Nc1c(N)cccc1C(N)=O	2169563154	VVGHRWOCRIRRGJ-MRJZCNKMSA-N	372.469	2.424	10	10	FECE	
CN(Cc1nc(=NCc2ccc3c(c2)CCN3C)[nH][nH]1)C(=O)OC(C)(C)C	2185278810	CKJBNMHZZCBLFC-UHFFFAOYSA-N	372.473	2.198	10	10	FECE	
CC(C)(C)OC(=O)N1CCSC[C@H](NC(=O)c2ccc(O)c(O)c2)C1	2054411405	YDSXQIOLBHNPJB-GFCCVEGCSA-N	368.455	2.180	10	10	FECE	
C[C@H](COCC(=O)N1CCC(CN=[N+]=[N-])CC1)NC(=O)OC(C)(C)C	2060634566	BEDQWXWHGUXOCV-GFCCVEGCSA-N	355.439	2.465	10	10	FECE	
COC(=O)[C@H](CNC(=O)OC(C)(C)C)N(C)[C@H](C)c1ccccc1O	2072449805	CUWXGCIMSMRBHR-OCCSQVGLSA-N	352.431	2.451	10	10	FECE	
C[C@@H]1C[C@H]1NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2080888768	QWODPQCDWJCUTC-RTXFEEFZSA-N	350.415	2.058	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)N3CC[C@H](N=[N+]=[N-])C3)O2)C1	2084600147	IBWDWKDURIUROM-RYUDHWBXSA-N	351.407	2.066	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@]2(CCN(Cc3cc(N)ccc3O)C2)C1	2106681146	KFPHDHVYEBGSFW-IBGZPJMESA-N	363.458	2.186	10	10	FECE	
CC(C)c1nnc(CNC(=O)C=Cc2ccc(N3CCOCC3)cc2)n1C	2307965339	RYCFTMCCWZKTJO-UHFFFAOYSA-N	369.469	2.105	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N[C@H]2CCc3ncnn3C2)cc1F	112749971	FRCURZIUIHCMFH-AWEZNQCLSA-N	360.437	2.078	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N[C@H](C)c1ccc(O)cc1O	310865909	XOQUCCDDLJDPRR-XFJVYGCCSA-N	352.431	2.383	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H](C)N(C)C)C1	412393315	HAHQQVVLAWXEBY-INIZCTEOSA-N	356.514	2.474	10	10	FECE	
CN(CCc1ccccn1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	80048293	ZQUYCGRQAAYHEV-UHFFFAOYSA-N	372.444	2.441	10	10	FECE	
Nc1ccc(NC(=O)CCCn2cncc(Br)c2=O)cc1	90764453	UMOZYSUPQYYSFM-UHFFFAOYSA-N	351.204	2.007	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CC[C@H](n4cc(Cl)cn4)C3)cc2N1	377992491	QYYMMZVHXKFNSF-JTQLQIEISA-N	363.761	2.227	10	10	FECE	
CCc1ncnc(CC)c1C(=O)NCc1ccc(N2CCOCC2)cc1	815097142	PUIYIBLOQOGAMZ-UHFFFAOYSA-N	354.454	2.368	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@@H]4C[C@H]4C3)cc2)CC1	817447369	CBNQEKOZKCJVRP-QRVBRYPASA-N	355.482	2.408	10	10	FECE	
C[C@H](CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)c1ccccn1	827580876	WVXKWDRBAOOHJF-OAHLLOKOSA-N	366.465	2.000	10	10	FECE	
C[C@@H]1CCCN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)c2ccccc21	588442681	YMHRWLMUNBQZSH-IWMPZKFUSA-N	353.422	2.028	10	10	FECE	
Cc1cc(C(=O)CN2CCO[C@@H]([C@@H](C)O)C2)c(C)n1-c1ccc(F)cc1	839669854	BYLGNADJSHWQKF-FOIQADDNSA-N	360.429	2.498	10	10	FECE	
Cc1cc(Br)c(O)c(CN2C[C@@H](C)N(CCO)C[C@H]2C)c1	841891684	OOUGJELJIHGASS-CHWSQXEVSA-N	357.292	2.350	10	10	FECE	
Nc1ccc(NC(=O)C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)cc1	841024784	SHTTWNJXJABJPA-IBGZPJMESA-N	366.465	2.378	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@@]1(CCO)CCOC1	840478975	KVLIFCINFUFPLE-OXQOHEQNSA-N	363.502	2.080	10	10	FECE	
COC(=O)c1ccnc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1	841070789	JQJAQKOBHKEYGS-UHFFFAOYSA-N	369.421	2.229	10	10	FECE	
Cc1cc(Cl)cc(CN2CCC(N3CCCS3(=O)=O)CC2)c1O	840953948	DFTWVNSKYGHXKJ-UHFFFAOYSA-N	358.891	2.354	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C3(NC(C)=O)CCCCC3)C2)cc1	855233045	WACRSGLKAALETL-INIZCTEOSA-N	359.470	2.229	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)C[C@H]3CCC3(F)F)C2)cc1	867498336	XXKHZTSCJZZLKG-CHWSQXEVSA-N	360.426	2.239	10	10	FECE	
O=C(Nc1nc(CN2CCOCC2)cs1)N1Cc2cccc(O)c2C1	866100171	KRUQDBCWZPRUEL-UHFFFAOYSA-N	360.439	2.229	10	10	FECE	
O=C(NC1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1)C1CCCCC1	768441285	YDDWLTXLCDIMSV-LJQANCHMSA-N	374.481	2.479	10	10	FECE	
O=C(C(=O)N1CC[C@@H](c2cccc(F)c2)C1)N1Cc2cccc(O)c2C1	1119004977	ICIWONQVQJYBGH-CQSZACIVSA-N	354.381	2.390	10	10	FECE	
CC(=O)OCC(C)(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	777797711	YEKZCZSBPOYYNP-UHFFFAOYSA-N	366.433	2.258	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)c2cc3c(nc2O)CCC[C@@H]3O)c1	1137473412	IKPMWCBEGRYEIF-QFYYESIMSA-N	358.394	2.362	10	10	FECE	
O=C(CN1C(=O)CCOc2ccccc21)NCc1cc(Cl)ccc1O	1146231201	CGOIVCFRRWPIEO-UHFFFAOYSA-N	360.797	2.478	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)N3CCC[C@H]3C3CC3)C2)cc1	1325973448	HMKATYSMLYNJKU-KXBFYZLASA-N	371.481	2.039	10	10	FECE	
COC1([C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]2C[C@H](N)C2)CCCC1	2115981297	AAWQZMWZUSJQAY-XJKCOSOUSA-N	368.474	2.105	10	10	FECE	
COc1ccccc1-c1nn(C)cc1C(=O)NCc1c(O)cccc1O	1456238537	ZBTINDFORWVVMW-UHFFFAOYSA-N	353.378	2.437	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC[C@H](c3cn(C)nn3)C2)c([N+](=O)[O-])c1	1613060006	BYOHNBHTXFRCCF-QPBFKRLHSA-N	371.397	2.294	10	10	FECE	
O=C(NCc1cccc(Br)c1O)c1ccc2c(n1)OCCO2	1634724698	GPIXPYURSAGLHV-UHFFFAOYSA-N	365.183	2.251	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1cccc(CNc2ccncn2)c1	1633599001	KPRNFFVSQZOWLJ-UHFFFAOYSA-N	350.378	2.430	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)NCC2(CN=[N+]=[N-])CC2)C1	2124509905	PWUZBQHCNHJVJM-YVEFUNNKSA-N	365.434	2.219	10	10	FECE	
COC(=O)Cc1c(C(=O)NCCc2ccc(O)c(O)c2)[nH]c2ccccc12	1630334909	JKHPLHWIPPCOHP-UHFFFAOYSA-N	368.389	2.267	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cnc2[nH]ncc2c1	1597572103	KYKWSEQIZJDYKX-UHFFFAOYSA-N	374.784	2.132	10	10	FECE	
CO[C@@H]1COCC[C@H]1CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1	1682547619	FVCPGCZSJXMRSH-PKOBYXMFSA-N	361.486	2.480	10	10	FECE	
CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3ccc(N)cc3)CC2=O)cc1	1865926196	BWOBPYIMQVHQQU-AWEZNQCLSA-N	367.405	2.437	10	10	FECE	
O=C(OCc1ccccc1)N1C[C@@H](O)[C@H](NCc2ccc3c(c2)CCO3)C1	1905890627	DQQKTTQXAKMMLB-RTBURBONSA-N	368.433	2.093	10	10	FECE	
COCCOCCN(Cc1ccccc1)c1ccc2c(c1)N(C)C(=O)[C@@H]2O	2152214159	AVEPMUUPANHLOI-HXUWFJFHSA-N	370.449	2.366	10	10	FECE	
Nc1ccc(O)c(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)c1	404177336	IBYUOPSZOTWJAG-TZIWHRDSSA-N	353.466	2.450	10	10	FECE	
CN(C(=O)CN(C)[C@H]1CCN(Cc2ccccc2)C1)c1ccc(N)cc1	381887351	PNLYPDOIVOEBHX-FQEVSTJZSA-N	352.482	2.438	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(O)c(O)c2O)[C@H]2C[C@H]21	2057598269	XQYQQKKGNUIEBQ-FRRDWIJNSA-N	350.415	2.291	10	10	FECE	
COC[C@@H](CC(=O)N1CCC(CN=[N+]=[N-])CC1)NC(=O)OC(C)(C)C	2060617827	RGZKKMIXHVVYHF-CYBMUJFWSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)N2CCC(N=[N+]=[N-])CC2)C1	2060618847	FDBCDXGYNBNWDQ-GFCCVEGCSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CCC(=O)c3ccccc32)=C[C@H]1O	2188019718	HYUFUICFNDDLSN-WMLDXEAASA-N	372.421	2.190	10	10	FECE	
C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1CC(=O)Nc1ccc(N)cc1	2106763582	CZOCZRQUOSJRFG-UONOGXRCSA-N	362.474	2.442	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](CNCc2ccc(O)cc2O)C[C@@H]2COC[C@@H]21	2097568711	XGMOIGYVGVFWHN-YCPHGPKFSA-N	364.442	2.212	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])CO1	2218739902	HITGUMZWTYGBAO-XQHKEYJVSA-N	353.423	2.358	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@]3(O)CN(C(=O)OC(C)(C)C)CC34CC4)ccc21	2236362318	WWJWNMBOUWIOOT-DYESRHJHSA-N	373.497	2.441	10	10	FECE	
Cc1cc(N2CC(CN3CCN(C(=O)OC(C)(C)C)CC3)C2)ccc1CN	2236847444	IDBYDVRVFYBQGK-UHFFFAOYSA-N	374.529	2.443	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1c1ccc2c(c1)OCCCO2	2226815614	UYGGBWIWEIXYES-CABCVRRESA-N	364.442	2.312	10	10	FECE	
O=C1NC(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1ccc(O)c(Cl)c1	2297341153	WZKSRVSOUBFNGD-UHFFFAOYSA-N	358.737	2.418	10	10	FECE	
CC(C)(C)[S@@](=O)CCNC(=O)C=Cc1ccc(N2CCOCC2)cc1	2297544399	LPEQBHOSLCUMKK-VWLOTQADSA-N	364.511	2.200	10	10	FECE	
CN(Cc1ccccc1O)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C1	2322540344	ZSAVTEIUYXAVFE-GOSISDBHSA-N	350.415	2.288	10	10	FECE	
CC(=O)N1N=C(c2ccccc2[N+](=O)[O-])O[C@@H]1c1cc([N+](=O)[O-])ccc1O	20946058	YHVKHTSKDGHGLZ-MRXNPFEDSA-N	372.293	2.448	10	10	FECE	
C[C@@H](NCCCN1CCCN(C)CC1)c1ccc(N2CCOCC2)cc1	128231926	JAWUBCBUTCWIIH-LJQANCHMSA-N	360.546	2.201	10	10	FECE	
C[C@@H]1OCCC[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	188494347	YWPCTXKSEKUEIB-BBRMVZONSA-N	350.434	2.218	10	10	FECE	
COCCn1ncc(Br)c1[C@@H](N)c1ccc(N(C)C)cc1	97423363	VAPQBJFPDGQEOZ-AWEZNQCLSA-N	353.264	2.406	10	10	FECE	
Cc1ccc(CNC(=O)C[C@](C)(N)C(F)F)c(O)c1Br	2381129876	QNUAHZNKCYMZTC-ZDUSSCGKSA-N	351.191	2.452	10	10	FECE	
C[C@@H](NC(=O)C(=O)NC1CCC(CN(C)C)CC1)c1ccc(N(C)C)cc1	804242817	MYHYJLHRNWTZBO-KLHKWILBSA-N	374.529	2.166	10	10	FECE	
COc1ccc(N2CCN(C(=O)C[C@H](O)Cc3ccccc3)CC2)cc1	813365517	DLZVOFSXIQSLJZ-LJQANCHMSA-N	354.450	2.338	10	10	FECE	
CC(C)(C)n1cnc(C(=O)NCc2cc(Br)ccc2O)n1	812574394	OUZGXMDMOAQXIV-UHFFFAOYSA-N	353.220	2.431	10	10	FECE	
CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H]1CCCN(c2cccnn2)C1	588407167	MHMOQDURUIYSCL-VIHMKRCTSA-N	354.410	2.028	10	10	FECE	
CN1CCN(c2ccc(CN3CC4(CCC4)[C@](F)(C(=O)O)C3)cc2)CC1	901915677	PROMZZSRGLIXDF-HXUWFJFHSA-N	361.461	2.217	10	10	FECE	
O=C(NCCCSc1nccs1)c1cc2c(nc1O)CCOC2	900683762	QZLDJCQRMOYJBV-UHFFFAOYSA-N	351.453	2.229	10	10	FECE	
Cc1cc(C(=O)N2CC[C@@H](CN3CCOC3=O)C2)c(C)n1-c1ccccn1	832993637	WYKHSIIWMIBUGH-MRXNPFEDSA-N	368.437	2.403	10	10	FECE	
CCN(C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@H]1CCOC1	838740355	VMAFHMHDPSOKMO-AWEZNQCLSA-N	369.412	2.122	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)C(C)(C)C(C)(F)F)nc12	838027825	CMQUPOMOXAEGGU-UHFFFAOYSA-N	371.340	2.336	10	10	FECE	
C[C@@H]1CCn2ncc(C(=O)NCc3ccc(N4CCOCC4)cc3)c2C1	843774172	ILMZNIAMJYDNGF-OAHLLOKOSA-N	354.454	2.232	10	10	FECE	
COc1ccc(CNC(=O)CN(C)CCN(C)c2ccc(OC)cc2)cc1	844399160	HSIVJNMWQURCHU-UHFFFAOYSA-N	371.481	2.388	10	10	FECE	
CC(C)N(C[C@H]1CCC(=O)N1)C(=O)NCc1ccc2c(c1)CCCN2C	840275990	VALNUTZMGSSIND-QGZVFWFLSA-N	358.486	2.268	10	10	FECE	
C[C@H](NC(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)O)c1ccc(N(C)C)cc1	929046989	XECJMQMIPWORNS-ZQIUZPCESA-N	363.458	2.383	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3CCC[C@](O)(C4CC4)C3)C2)cc1	854187635	OLNZNSWMYPTHOD-IIBYNOLFSA-N	373.497	2.468	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cnn4c3C[C@@H](C)CC4)C2)cc1	855227166	WGROVJIHEBPQPL-GJZGRUSLSA-N	354.454	2.483	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@H](O)C34CCCC4)C2)cc1	852448521	KBIONSKWNDQECG-CRAIPNDOSA-N	359.470	2.363	10	10	FECE	
Cc1cc(C(=O)Cn2cnccc2=O)c(C)n1-c1ccc2c(c1)OCO2	760406448	FFGJCIXECHDNEU-UHFFFAOYSA-N	351.362	2.262	10	10	FECE	
COC(=O)[C@@H]1CN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)C[C@@H](C)O1	862866016	TUTFUJZVMNMEOA-BEFAXECRSA-N	370.449	2.426	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CC[C@](OC)(C(=O)OC)C2)c1O	863297413	UIWXXFWSOLOWSV-HXUWFJFHSA-N	373.405	2.096	10	10	FECE	
CC1(C)CC[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)O1	787402509	KRJFXUXQNJYAQO-QGZVFWFLSA-N	350.434	2.361	10	10	FECE	
COc1cc(C)cc(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1C	787575329	XIWCOGKISQPKLW-GFCCVEGCSA-N	372.421	2.409	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c1	781906376	BWYZTQWEOZZSBP-CVEARBPZSA-N	369.303	2.494	10	10	FECE	
COC(=O)c1oc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1C	1134686325	HKRQYGRUNSLJIC-MRXNPFEDSA-N	373.453	2.473	10	10	FECE	
CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2c(O)cccc2F)c1	1156163731	CACJITSHFHBBAM-UHFFFAOYSA-N	372.805	2.023	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCCCS1(=O)=O	1264287482	ZSLPPCVUKVOUDC-QGZVFWFLSA-N	350.484	2.213	10	10	FECE	
CN(C)c1ccc(CN(C(=O)C(=O)NCC[C@@H]2CC2(F)F)C2CC2)cc1	1347963371	FUZLXHUVKFZIDJ-CQSZACIVSA-N	365.424	2.405	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1c2ccccc2CC[C@@H]1F	1262147039	LQJXDMYYEVODSD-WMZOPIPTSA-N	356.397	2.492	10	10	FECE	
COC(=O)c1cc(OCC(=O)NCc2cccc(OC)c2)ccc1N(C)C	1459234571	ILAFBHXGTAKKTF-UHFFFAOYSA-N	372.421	2.243	10	10	FECE	
Cc1cc(C(=O)N2CCC[C@H](Cc3nn[nH]n3)C2)c(C)n1-c1ccccn1	1520594034	HDAVPYAWROCDQF-OAHLLOKOSA-N	365.441	2.097	10	10	FECE	
CCOC(=O)[C@H]1CCCN(CC(=O)NCc2c(O)ccc3c2CCCC3)C1	1465953290	DPKVJIHPLWRMCI-INIZCTEOSA-N	374.481	2.162	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)c2cn3ccccc3n2)N(C)C)cc1	1539234714	FXMAVLYLSWWPNS-SFHVURJKSA-N	351.454	2.433	10	10	FECE	
COC(=O)c1cccc2c1OCCN(C(=O)c1c(F)ccc(O)c1O)C2	1559039210	NOUZVZXHWIPSHT-UHFFFAOYSA-N	361.325	2.058	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC(N=[N+]=[N-])C2)C[C@H]2COCC[C@H]21	2124538388	JDQNFXUXHZKGQD-MBNYWOFBSA-N	365.434	2.170	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H](C)n1cccn1	1566848877	BLGXBLOQLAYABX-NSHDSACASA-N	351.790	2.005	10	10	FECE	
COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2124507983	MPAUNTSLPFUOAZ-QWHCGFSZSA-N	371.438	2.397	10	10	FECE	
C[C@@H](NC(=O)c1cc2c(=O)n3ccccc3nc2n1C)c1ccccc1O	1642827945	WSFKCJZXHZNHKI-GFCCVEGCSA-N	362.389	2.383	10	10	FECE	
O=C(CNC(=O)Cc1cccc2ccccc12)NCc1cc(O)ccc1O	1651223148	XRLVIJSWSIRMFH-UHFFFAOYSA-N	364.401	2.226	10	10	FECE	
COC(=O)[C@@H](C)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S	6098173	YSYHKKAEZRSNSB-OPYOOOJUSA-N	351.405	2.178	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(Cc3cc(N)ccc3O)[C@H]2C1	2129074328	CWWFJQSIXMLJKY-RDJZCZTQSA-N	363.458	2.185	10	10	FECE	
CCN[C@H](C)c1ccc(N(C)C2CS(=O)(=O)C2)cc1Br	2152240607	SVCVABXGNZZKIP-SNVBAGLBSA-N	361.305	2.353	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(C(=O)NCc2ccccc2O)CCCOC1	866754662	BVXSUEZLUJIUNB-LJQANCHMSA-N	364.442	2.330	10	10	FECE	
COc1ccc(N2CC3(C2)CS(=N)(=O)C3)c(OC)c1Br	2182732854	LGZNJAYWBYXNGY-UHFFFAOYSA-N	361.261	2.333	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2060637533	MDUFCXVQJXVSBN-STQMWFEESA-N	353.423	2.314	10	10	FECE	
CCN(C[C@H](O)COc1ccc(N)cc1)C[C@H](C)NC(=O)OC(C)(C)C	2106760682	QPCRJZULNHVNPB-HOCLYGCPSA-N	367.490	2.244	10	10	FECE	
CCOc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)ccc1O	2296660065	APGMUYMTJLFYMN-UHFFFAOYSA-N	366.373	2.453	10	10	FECE	
COCc1cc(NC(=O)C=Cc2ccc(N3CCOCC3)cc2)ncn1	2301842191	ICTAGFFRQQEPAD-UHFFFAOYSA-N	354.410	2.112	10	10	FECE	
Cc1cccc(O)c1CNC[C@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1	2309547043	RAKUHRPRBZXJQF-FRFSOERESA-N	350.459	2.454	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1	2315985982	ACWUOFFJUPQMFW-LBPRGKRZSA-N	353.423	2.314	10	10	FECE	
Cc1ccc(C(=O)NCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1C	186436462	PTNZLTMUOIPTTJ-CQSZACIVSA-N	356.422	2.192	10	10	FECE	
COCCN(CC(=O)N(C)C)C(=O)c1cc(C)n(-c2ccccc2)c1C	77789794	NKEICAVXXPPHHS-UHFFFAOYSA-N	357.454	2.271	10	10	FECE	
CC(=O)N1CC[C@H](NC(=O)c2cccc(O)c2O)c2ccc(F)cc2C1	193164840	UWTMWYGHWRFCCT-INIZCTEOSA-N	358.369	2.460	10	10	FECE	
CNC(=O)NC[C@H]1CN(Cc2cc3oc4ccccc4c3cc2O)CCO1	530104770	OVVVBEWZMFDJPE-AWEZNQCLSA-N	369.421	2.421	10	10	FECE	
CCN(CC)c1ccc(CN[C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc1F	800308907	DSOUAGPYCKRIBH-DOTOQJQBSA-N	371.522	2.479	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)C3(C)C[C@H]4C[C@@H]4C3)cc2)CC1	816379553	QSVUCEOUNSQBSL-QZTJIDSGSA-N	355.482	2.408	10	10	FECE	
NC(=O)[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cnc3ccccc3n2)C1	732737613	BUGIPEOETIFCBV-BOLDSZDNSA-N	358.401	2.334	10	10	FECE	
C[C@]1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCCS1(=O)=O	908212518	QBACRRBSUSKOEA-CYBMUJFWSA-N	352.239	2.283	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)C3Cc4ccccc4C3)C2)cc1	849416074	KGDPDXXWYMLZKV-KRWDZBQOSA-N	372.490	2.361	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@H]([C@H]2CCOC2)C1	747952099	ZREHNGGODJNJSF-OALUTQOASA-N	373.497	2.481	10	10	FECE	
CO[C@H](CS(=O)(=O)NCc1c(O)cccc1F)c1ccc(F)cc1	921450559	ASKHFAJLDUOBDU-MRXNPFEDSA-N	357.378	2.478	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN3CC[C@@H](C(C)C)C3)CC2)cc1	754051424	PIYXIIQMFDHZFW-UYAOXDASSA-N	361.530	2.156	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)cc1	855230047	CDPMLRZQHPPOCW-ZDUSSCGKSA-N	357.366	2.318	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)NCc1c(O)cccc1F	927044608	IKVWLZROXGQRMB-LLVKDONJSA-N	353.394	2.340	10	10	FECE	
Cc1ccc(O)c(CNC(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1	858390991	TZMLEZDBZYVQPV-KRWDZBQOSA-N	371.412	2.440	10	10	FECE	
CNCCOCCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	861516227	CTFWGRWKRHDQQC-UHFFFAOYSA-N	369.425	2.393	10	10	FECE	
CC(=O)C1CCN(C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1	872821054	SUWLVOUHKDOIPW-UHFFFAOYSA-N	373.497	2.317	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(O)ccc1[N+](=O)[O-]	788267487	SWMAKXVURXEHKD-UHFFFAOYSA-N	371.393	2.409	10	10	FECE	
COC(=O)[C@@H]1[C@@H](CN(Cc2ccccc2O)C[C@@H]2CCCO2)C1(F)F	893879795	JKGFMNOHPDZXPP-LZWOXQAQSA-N	355.381	2.428	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCN(C(=O)CC2CCCCC2)CC1	1136538311	RYXXBIZBIRPDDO-UHFFFAOYSA-N	360.454	2.282	10	10	FECE	
O=C(NCc1ccc(O)cc1O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1	1142529969	JQWHKKOYJBAVGK-LLVKDONJSA-N	362.332	2.045	10	10	FECE	
C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[C@H]1NC(=O)OC(C)(C)C	1147735620	UZUOFEHXNZGGJI-GXTWGEPZSA-N	364.442	2.402	10	10	FECE	
Cc1cc(C(=O)N2CCC[C@@H](CO)[C@H]2CO)c(C)n1-c1ccc(F)cc1	1303902145	AJEMCBQOIQGTJV-HNAYVOBHSA-N	360.429	2.439	10	10	FECE	
CO[C@@H]1CCC[C@H]1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1312386743	GEVPDKKPIRRCMR-QXAKKESOSA-N	362.518	2.470	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1nnn(Cc2ccncc2)c1C	1449122023	MTRWZPWPCHYXLC-UHFFFAOYSA-N	372.425	2.151	10	10	FECE	
COc1ccc(O)c(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c1	2116275172	TXCRZTGJOGFIKA-GDBMZVCRSA-N	366.458	2.108	10	10	FECE	
CCC/C=C/[C@@H](O)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O	1546151681	CUNZQVTWRDHEOV-LLYBFZRZSA-N	355.818	2.264	10	10	FECE	
O=C(c1ccc2c(c1)COB2O)N(Cc1ccco1)Cc1ccccc1O	1545496351	HYLOTYFYGICTQE-UHFFFAOYSA-N	363.178	2.046	10	10	FECE	
C[C@@H](NC(=O)CCn1c(=O)nc(O)c2ccccc21)c1ccccc1O	1557966906	SNJTVKJUWHHWQO-GFCCVEGCSA-N	353.378	2.075	10	10	FECE	
O=C(Cc1cncn1Cc1ccccc1)NCCc1ccc(O)c(O)c1	1630335726	SSBQZKQSMXEABQ-UHFFFAOYSA-N	351.406	2.244	10	10	FECE	
CN(CCN(C)C(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	2124030977	OFYDQRMNPCMHHJ-UHFFFAOYSA-N	367.446	2.149	10	10	FECE	
Cn1cc(Br)c(C(=O)NCc2cc(Cl)ccc2O)cc1=O	1644590652	JJHNHVSGMPXJRI-UHFFFAOYSA-N	371.618	2.437	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cccc(O)c2O)C(C)(C)C1	1645692008	NMCMKZHLSOCUEK-ZDUSSCGKSA-N	350.415	2.473	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CCN(CC(C)(C)O)CC2)c1O	158583628	NANOBBBVIVIHKB-UHFFFAOYSA-N	372.465	2.221	10	10	FECE	
O=C(Cn1ccc2c([N+](=O)[O-])cccc21)NCCc1ccc(O)c(O)c1	1860227433	PRGLCCWDPWDIFG-UHFFFAOYSA-N	355.350	2.320	10	10	FECE	
CN(C(=O)OCc1ccccc1)C1CN(C(=O)c2ccc(O)c(O)c2)C1	1982314610	QXPFZVXKCRTKRT-UHFFFAOYSA-N	356.378	2.191	10	10	FECE	
CC(C)(C)OC(=O)N1CC(O)(CCNCc2cc(F)cc(F)c2O)C1	2027292651	YEBZBRHXRNCGJQ-UHFFFAOYSA-N	358.385	2.132	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CN(CC(=O)Nc3ccc(N)cc3)C[C@]2(C)C1	2162947461	HPCVVNSMYNSXCM-JLTOFOAXSA-N	374.485	2.396	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](N2CCN(CCc3ccc(N)cc3)CC2)C1	2162951254	NKSADKHNEFLBIW-IBGZPJMESA-N	374.529	2.438	10	10	FECE	
CN1C(=O)[C@@H](N)c2ccc(N(C)[C@@H]3CCN(Cc4ccccc4)C3)cc21	381865211	MTVVWVQNJMPJOJ-XLIONFOSSA-N	350.466	2.374	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@H](C)CNS(=O)(=O)Cc1ccc(N)cc1	2044250936	OBZGMEKKSJMCFI-CYBMUJFWSA-N	371.503	2.334	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)c2ccc(O)c(O)c2)CN(C(=O)OC(C)(C)C)C1	2054412586	FJEMEBSOJZNXDK-YPMHNXCESA-N	350.415	2.473	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)COCC1CCN(C(=O)OC(C)(C)C)CC1	2060639982	ODDOJIXZDICXJE-UHFFFAOYSA-N	355.439	2.419	10	10	FECE	
C[C@H](NC(=O)CCOc1ccc(N)cc1)C1CN(C(=O)OC(C)(C)C)C1	2106235372	NMTRYGBKQAGXKD-ZDUSSCGKSA-N	363.458	2.409	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(c2ccc3c(c2)OC(F)(F)O3)C1	2226696725	OCISKKVYRBLDRM-PWSUYJOCSA-N	372.368	2.472	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2253542458	BUGMRDHRBWWNOS-UPJWGTAASA-N	353.423	2.048	10	10	FECE	
COc1ccc(NC=C2C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)cc1	2297317961	QOTJGGGSJPEURZ-UHFFFAOYSA-N	367.361	2.283	10	10	FECE	
CS(=O)(=O)[C@H]1CC[C@@H]1NCc1cc(Cl)cc(Br)c1O	2342596097	LTTOQCASEUQHON-QWRGUYRKSA-N	368.680	2.473	10	10	FECE	
C[C@@H](Cn1cncn1)NC(=O)N(Cc1ccco1)Cc1ccccc1O	102017187	NGCUXKOCRQBVHG-AWEZNQCLSA-N	355.398	2.377	10	10	FECE	
COc1cc(Br)c(Br)c([C@](C)(N)CO)c1O	309169248	KYSYGTVJIZKGES-SNVBAGLBSA-N	355.026	2.092	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NC[C@H](C)N2CCOCC2)cc1F	66976854	LIRQOFGAQPITRY-HNNXBMFYSA-N	366.481	2.192	10	10	FECE	
CC(C)CC(=O)N[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C(C)C	185388110	WWCMOPRFBXAPQN-SCLBCKFNSA-N	350.459	2.332	10	10	FECE	
Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc2c(c1)CCCN2C	83715779	NVMYLVLRVZDPNG-INIZCTEOSA-N	354.458	2.303	10	10	FECE	
CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@@]2(CCOC2)O1	376020569	GREXCEVUSODMMG-SUMWQHHRSA-N	352.387	2.079	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCCN(c3ncccn3)C2)c1	728948547	CSUIUXGVMMQPAJ-KGLIPLIRSA-N	371.441	2.220	10	10	FECE	
NC(=O)c1cccc2c1CCN(Cc1ccc(N3CCOCC3)cc1)C2	827839892	ZCYMCPLTGWDYEA-UHFFFAOYSA-N	351.450	2.180	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3CC[C@H](N4CC=CC4)C3)C2)cc1	824692975	ITIVERNHHXVWCB-HKUYNNGSSA-N	370.497	2.177	10	10	FECE	
O=C(O)[C@]1(O)CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1	901900113	FIASVAHENQGQBJ-NRFANRHFSA-N	352.434	2.271	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCN(CC(=O)N3CCCC3)CC2)cc1	835025505	JXLOAYQXFJBYSZ-AATRIKPKSA-N	356.514	2.006	10	10	FECE	
CN(C)c1ccc(/C=C\CNC[C@H]2CCCCN2S(C)(=O)=O)cc1	835052832	HWNRFORQZZHOOI-HPFMTEOYSA-N	351.516	2.170	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@]3(Cl)C[C@H]4CC[C@H]3O4)C2)cc1	912292635	NQFOJVAGLNTMGQ-LMWIJYBJSA-N	350.846	2.319	10	10	FECE	
C[C@H]1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c2ncnn21	849359904	VWSCLRFEXLSIQX-CABZTGNLSA-N	361.789	2.107	10	10	FECE	
O=C(NCC[C@@H]1C[C@H]1C1CC1)C(=O)NCc1ccc(N2CCCC2)cc1	929524117	OXKBDVCSTSXPRQ-MJGOQNOKSA-N	355.482	2.455	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@]12C[C@H]1COC21CCC1	923337947	VRZHVBLCYBNBSF-HRAATJIYSA-N	371.481	2.159	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCC([C@H](C)CO)CC3)C2)cc1	854297323	PRXMJJVSOLFTRX-NVXWUHKLSA-N	361.486	2.324	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3c[nH]nc3-c3ccncc3)C2)cc1	855229902	CSQIMVGNVCEIEY-HNNXBMFYSA-N	363.421	2.489	10	10	FECE	
CC(C)C[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)NCCN(C)C	756859579	SZFQJRUNWFQXCO-BBRMVZONSA-N	366.462	2.044	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1[C@@H]2C[C@@H]3[C@@H]1OC[C@@H]3C2	868116022	HLDHBBZFBSHMSO-JAQSECSASA-N	373.522	2.462	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3C[C@H]4C(=O)OC[C@H]4C3)c2C)cc1	863765690	GNFSKYNJOMFKTF-RDTXWAMCSA-N	354.406	2.348	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCn3cc(C)nc3C2)cc1	862129866	VPXZHWZRWXTLOJ-INIZCTEOSA-N	356.470	2.357	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC(O)(C(F)F)CC2)c([N+](=O)[O-])c1	777828399	NKTMFVFBYBNFCT-HWKANZROSA-N	356.325	2.377	10	10	FECE	
CCOCn1nc(C)c(C[C@@H](C)C(=O)NCc2cccc(O)c2O)c1C	1123977626	KFODXYAJGZCEHV-GFCCVEGCSA-N	361.442	2.400	10	10	FECE	
O=C(C1CN(C2CCOCC2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1	896269658	KYIGEKJKFMZGCQ-LJQANCHMSA-N	374.481	2.011	10	10	FECE	
CCc1ncc(Cl)c(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)n1	1133127622	SIBNPWWNXCXCGO-UHFFFAOYSA-N	373.888	2.374	10	10	FECE	
COc1ccc(N2CCN(CCN[C@H](Cn3cccn3)C(C)C)CC2)cc1	788569553	GQJNFKCRYLXIGI-OAQYLSRUSA-N	371.529	2.328	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)NCc1ccccc1O	1964093552	YNTWATYJDOTBSY-GOEBONIOSA-N	364.442	2.280	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)N1CC2CC1(c1ccccc1)C2	1327673974	FKGJXPVKLVFIOT-UHFFFAOYSA-N	350.418	2.498	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)NC[C@H]2CC(C)(C)CO2)N(C)C)cc1	1248448451	HPWHQJPARODIII-QZTJIDSGSA-N	362.518	2.470	10	10	FECE	
Cc1cc(C)cc(N2CC[C@@H](C(=O)NCc3cccc(O)c3O)C2=O)c1	1350300562	SSGLBJPMRRVZAR-INIZCTEOSA-N	354.406	2.384	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)c(OC)c1	1534586961	JERLTFFIZKMGQW-FQEVSTJZSA-N	368.433	2.356	10	10	FECE	
CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CCC[C@@H]2CN=[N+]=[N-])CC1	2124536592	SAJVLWRYEOWBHS-CQSZACIVSA-N	366.466	2.277	10	10	FECE	
C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccccc1O	1635799058	NLINIRBHGMOREN-JTQLQIEISA-N	364.379	2.195	10	10	FECE	
CN1CC(=O)Nc2cc(C(=O)NCc3c(O)ccc4ccccc34)cnc21	1652708730	KQSLSDMWIGWJKW-UHFFFAOYSA-N	362.389	2.259	10	10	FECE	
Nc1ccc(-n2nnc(C(=O)Nc3ncc(Cl)cc3Cl)n2)cc1	1857879098	UUXLYILTPDGNII-UHFFFAOYSA-N	350.169	2.199	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc(N)cc1)[C@@H](O)C(C)(C)C	2136279891	KBMYIIWIZLIJBD-LSDHHAIUSA-N	365.474	2.185	10	10	FECE	
CC[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	2141292059	HODFKUHCJLSETH-BFUOFWGJSA-N	364.442	2.450	10	10	FECE	
COC(=O)[C@@]1(NCCCN=[N+]=[N-])CN(Cc2ccccc2)[C@@]2(CCOC2)C1	2156296503	PAUMYPQGXNKSTP-OALUTQOASA-N	373.457	2.253	10	10	FECE	
CN(C(=O)CN1C[C@H]2CC[C@@]2(NC(=O)OC(C)(C)C)C1)c1ccc(N)cc1	2163039378	PBJDOXMUEOZWOA-JLTOFOAXSA-N	374.485	2.221	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(c2cc3c(cc2N)NC(=O)CC3)C1	2163129610	ZARGSNFPBPTRGX-GXSJLCMTSA-N	370.375	2.047	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1	2049781385	UQGOGXLMFRUYCV-OBPPPDSMSA-N	350.459	2.191	10	10	FECE	
COC(=O)[C@@H](CNC(=O)OC(C)(C)C)OCCCc1ccc(N)cc1	2059027674	VYAFEDNCMIZHSI-OAHLLOKOSA-N	352.431	2.284	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@H](CNC(=O)OC(C)(C)C)[C@H]1CCOC1	2060613578	STMUSPZWGXIJHH-QWHCGFSZSA-N	355.439	2.323	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)COc1ccc(N)cc1	2106233341	OIPFNRRXCPVABD-BBRMVZONSA-N	363.458	2.457	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CC[C@@H](O)[C@@H](F)C3)ccc(N)c2C1	2088319474	AICOAABNCDREIK-WMLDXEAASA-N	365.449	2.471	10	10	FECE	
CC(C)N(CCS(C)(=O)=O)c1ccc(CO)cc1Br	2113817413	CNAAJJLQEQQAEO-UHFFFAOYSA-N	350.278	2.201	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](NC(=O)Cc2ccc(N)cc2)C1	2219134972	ODVFLNYWZHBOJK-DZGCQCFKSA-N	351.422	2.275	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NCc3cc(F)ccc3O)CO[C@H]1C2	2255113716	QYSMEOIFTOGWGO-XUWXXGDYSA-N	352.406	2.446	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1	2260803712	MGWJBRLVAJWRBS-AVGNSLFASA-N	353.423	2.170	10	10	FECE	
COc1cccc2c1OCC(C=C1SC(=S)N(CC(=O)O)C1=O)=C2	2314450734	OOLIFGQQKMJEPE-UHFFFAOYSA-N	363.416	2.300	10	10	FECE	
CN(C)c1ccc([C@@H](N)c2cc(I)nn2C)cc1	2314112788	MOGJZHVQUBGMOJ-CYBMUJFWSA-N	356.211	2.139	10	10	FECE	
COc1ccc(OC)c([C@@H]2CC(=O)NC(NC(=O)c3ccccc3C)=N2)c1	20925201	VRBJGRQICYDXLG-INIZCTEOSA-N	367.405	2.359	10	10	FECE	
CC(=O)N1N=C(c2ccccc2[N+](=O)[O-])O[C@H]1c1cc([N+](=O)[O-])ccc1O	20946063	YHVKHTSKDGHGLZ-INIZCTEOSA-N	372.293	2.448	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ncn(C2CCCCC2)n1	185695638	PVUOFXOOOFMFIM-UHFFFAOYSA-N	357.414	2.086	10	10	FECE	
Cc1nc2ccccc2n(CC(=O)NCc2ccc(N(C)C)cc2)c1=O	33254740	IJMGOJVIIYLVKU-UHFFFAOYSA-N	350.422	2.087	10	10	FECE	
NS(=O)(=O)c1ccc(NCc2ccc(O)cc2O)c(Br)c1	37137961	DWGPTFPIWMZGDC-UHFFFAOYSA-N	373.228	2.120	10	10	FECE	
CN[C@H]1C(=O)Nc2cc(N3CCCO[C@@H](C)C3)c(Br)cc21	221247010	ATZHQZYKJYWSNU-LKFCYVNXSA-N	354.248	2.277	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC(c2ncc[nH]2)CC1	266797303	YJBNUCCPTXUTST-UHFFFAOYSA-N	355.486	2.314	10	10	FECE	
CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCc1ccc(N2CCCC2)cc1	364734124	JDKVFJOOYDLNGM-OPYAIIAOSA-N	357.498	2.436	10	10	FECE	
CCCC[C@@H](NC(=O)NCC)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	274886745	BZVWEDZPOUGEJS-GXTWGEPZSA-N	351.447	2.023	10	10	FECE	
O=S1(=O)CCC(CN(Cc2ccccc2O)C[C@@H]2CCCO2)CC1	271307419	QGFHPNGZTREUGC-KRWDZBQOSA-N	353.484	2.198	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2cnc(C(=O)OC(C)(C)C)cn2)cc1	282730261	XJAWXCYDIKXTBM-UHFFFAOYSA-N	356.426	2.428	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)CN(C)CCCN(C)C)c1	820074530	KFXBGFYNDGNSKD-GJZGRUSLSA-N	366.506	2.033	10	10	FECE	
Cc1cc(CCNC(=O)[C@H](C)N2CCN(C)CC2)c(C)n1-c1ccccc1	732912399	MLKDQMQZZLZYCE-IBGZPJMESA-N	368.525	2.389	10	10	FECE	
COC(=O)[C@@H](CNC(=O)NCc1cc(OC)ccc1O)Cc1ccccc1	918745294	JHSRKEZLIZHNNE-MRXNPFEDSA-N	372.421	2.232	10	10	FECE	
C[C@]1(F)CNCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1	841706193	CVPDBDPDHBUOHA-SFHVURJKSA-N	366.506	2.083	10	10	FECE	
CNC(=O)[C@@H](CNCc1cc2c(cc1O)OCO2)Cc1ccc(F)cc1C	842722680	RKOSNFCEIZJDAQ-OAHLLOKOSA-N	374.412	2.263	10	10	FECE	
COc1cc(CN2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c(O)cc1C	853530306	HBRLVHCFUIRWLZ-FZMZJTMJSA-N	367.389	2.117	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cccc([S@@](C)=O)c3)C2)cc1	855223682	CGERDAGJVKTMHS-SGANQWHYSA-N	358.463	2.441	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCN3C(=O)C(C)(C)C)C2)cc1	855233287	WVBJGFINXCMDOR-YJBOKZPZSA-N	373.497	2.427	10	10	FECE	
Cc1cc(C(=O)CN2CCN3CCOC[C@@H]3C2)c(C)n1-c1cccc(F)c1	755210868	GUORTRSKAJOMNY-IBGZPJMESA-N	371.456	2.432	10	10	FECE	
CNC(=O)[C@@H]1CCN(C(=O)c2ccccc2-n2c(C)cc(C=O)c2C)C1	862015794	GAORWEOZIOYADT-OAHLLOKOSA-N	353.422	2.115	10	10	FECE	
CC(C)(C)OC(=O)[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1	761907790	PFFJTENSDOXODY-JTQLQIEISA-N	363.370	2.094	10	10	FECE	
COC(=O)C[C@@]1(NCc2cc(C)cc(Br)c2O)CCOC1	766465984	DVYKVYOSBMASST-HNNXBMFYSA-N	358.232	2.275	10	10	FECE	
NC(=O)C[C@@H]1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CCO1	862535325	JFVGLROUKUCUCF-HXUWFJFHSA-N	365.477	2.326	10	10	FECE	
Oc1cc2c(cc1CNCc1ncn(Cc3cccc(F)c3)n1)OCO2	780589577	MOSRIFFDFHZLRK-UHFFFAOYSA-N	356.357	2.190	10	10	FECE	
COC(=O)c1c(CN2C[C@H](O)CC(F)(F)C2)c2cc(F)ccc2n1C	894539038	WREWVCICCJHGOY-LLVKDONJSA-N	356.344	2.306	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1ccc(O)c(O)c1	1159104107	KHLXXSCDNNTWLY-RDBSUJKOSA-N	362.426	2.297	10	10	FECE	
CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)CCc2ccc(N)cc2)C1	694809126	RTLULFIJICVJKK-NRFANRHFSA-N	366.509	2.134	10	10	FECE	
CN(C)c1ccc(CN(C(=O)C(=O)NCc2ccnc(F)c2)C2CC2)cc1	1335547147	ICOMWLMLPOEZSM-UHFFFAOYSA-N	370.428	2.094	10	10	FECE	
COCCc1nnc(N(C)Cc2ccccc2O)n1Cc1cc(C)on1	1348549422	RRCQVAITXQKMQP-UHFFFAOYSA-N	357.414	2.154	10	10	FECE	
CN1C[C@](C)(Cn2c(N(C)Cc3ccccc3O)nnc2C(C)(C)C)C1=O	1298877787	OBYQXOKWMPURDG-HXUWFJFHSA-N	371.485	2.396	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(C2CC(=O)NC(=O)C2)c1	1450031461	OPIVQAFISYCKFS-FNORWQNLSA-N	366.373	2.270	10	10	FECE	
C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(O)ccc2ccccc12	1456311016	RSOKDCAANUVQLI-PXAZEXFGSA-N	374.437	2.436	10	10	FECE	
Cc1ccc(-n2c(C)cc(C(=O)Cn3cc(C(N)=O)nn3)c2C)cc1F	1473009490	KGHSOLAYOXGYAU-UHFFFAOYSA-N	355.373	2.115	10	10	FECE	
CC(C)CC[C@@H](CO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1565452607	HQXMEYBHCYALGE-PKOBYXMFSA-N	364.534	2.452	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2124539504	WHUADKLKQYDIAM-ZIAGYGMSSA-N	367.450	2.465	10	10	FECE	
CS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc(N=NC(N)=O)cc1	1566408583	DJNSSPRRWYPNGX-UHFFFAOYSA-N	374.422	2.324	10	10	FECE	
CN1CCc2cc([C@@H](CN)N3CC4(CCN4C(=O)OC(C)(C)C)C3)ccc21	2194899346	KDOGOHRNGFGTEB-GOSISDBHSA-N	372.513	2.374	10	10	FECE	
CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)CCOc1ccc(N)cc1	2044211947	VRUNXQWMJQHPDI-AWEZNQCLSA-N	351.447	2.457	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COC[C@@]1(C)C(=O)NCC1(CN=[N+]=[N-])CC1	2060632485	BMHXOMXIFMUFEA-XHDPSFHLSA-N	353.423	2.123	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@]1(C)C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2081167475	FDIGIYGBUSKUGY-LRDDRELGSA-N	353.423	2.171	10	10	FECE	
CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NCc1cccc(C)c1O	2084062020	AYVAGXHQWZGYRT-AWEZNQCLSA-N	352.431	2.247	10	10	FECE	
CC(C)(C)OC(=O)NC1CC(CNC(=O)CCOc2ccc(N)cc2)C1	2106230951	DSCHLZLVQNKZQJ-UHFFFAOYSA-N	363.458	2.457	10	10	FECE	
CCN(c1cc2c(cc1N)OCC(=O)N2)C1CN(C(=O)OC(C)(C)C)C1	2106712693	QNONCHKPLLWVBF-UHFFFAOYSA-N	362.430	2.045	10	10	FECE	
Cc1cccc(O)c1CNCCn1cnc(I)c1	2221433262	POQOQHHWJSCIPS-UHFFFAOYSA-N	357.195	2.292	10	10	FECE	
C[C@H]1O[C@]2(C(=O)NCC3(CN=[N+]=[N-])CC3)C[C@@]1(NC(=O)OC(C)(C)C)C2	2266082310	LAJPCNNLUNPTTE-SSKCKEOISA-N	365.434	2.408	10	10	FECE	
O=C(O)CCCN1C(=O)C(=Cc2ccc(O)c([N+](=O)[O-])c2)SC1=S	2314761843	YIIYQCDIIMNGJT-UHFFFAOYSA-N	368.392	2.366	10	10	FECE	
C[C@H]1C[C@@](O)([C@H](N)c2ccc3c(c2)CCN3C)CN1C(=O)OC(C)(C)C	2336904306	HSOUUDQIBIWJEP-ZLXGRDSLSA-N	361.486	2.439	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)CC2)cc1	172609313	MJMKTZMWQAKEGP-KURKYZTESA-N	359.470	2.340	10	10	FECE	
C[C@@H](NCCCN1CCCN(C)CC1)c1ccc(N2CCC(O)CC2)cc1	128245425	NTTGDGAZVZTCRO-LJQANCHMSA-N	374.573	2.326	10	10	FECE	
C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	192005328	IJODESAUFSQYCJ-LBPRGKRZSA-N	373.432	2.314	10	10	FECE	
COC(=O)[C@@H]1C[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	245404408	PCMXLQSQROQIPY-OKZBNKHCSA-N	360.454	2.069	10	10	FECE	
COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])c(OC)c1O	278382469	LXYPWWXJUVOSGW-SUHUHFCYSA-N	350.371	2.083	10	10	FECE	
Cc1nn(C)c(C)c1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	275798146	YCPCQPKPFKTYER-UHFFFAOYSA-N	371.485	2.479	10	10	FECE	
Cn1ncc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)n1	807440156	LLPYFIQIWRUAEO-UHFFFAOYSA-N	363.381	2.485	10	10	FECE	
CC[C@H]1CCN1C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1	813563762	NEZXIIQTDRHXKZ-KRWDZBQOSA-N	360.502	2.401	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCC[C@@H]4C[C@H]43)CC2)cc1	824285485	KPKBXOUYKBWKOH-NSISKUIASA-N	357.498	2.370	10	10	FECE	
COC(=O)c1cccc(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)n1	823883913	DVJNYZJPQYWFAC-ZDUSSCGKSA-N	370.409	2.277	10	10	FECE	
COc1cc(CCC(=O)NCCc2ccc(O)c(O)c2)cc(OC)c1O	830531218	FMPJDYCZCKBWBQ-UHFFFAOYSA-N	361.394	2.112	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)c1nnc(-c2ccco2)o1	900338108	RBXXTOMOVAKUGH-UHFFFAOYSA-N	354.366	2.096	10	10	FECE	
O=C1Cc2c(C(=O)N(CCN3CCCC3)c3ccccc3)ccnc2N1	669049171	OBBQZEIJHYNWNW-UHFFFAOYSA-N	350.422	2.319	10	10	FECE	
C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C1(N2CCOCC2)CCCC1	588405834	VGDVOEFOUGUDAH-PKYBCLHXSA-N	360.454	2.261	10	10	FECE	
C[C@@H](NC(=O)N[C@@H]1CC[C@H](C(=O)O)C1)c1ccc(N2CCOCC2)cc1	831007435	HBVQUIVLMNDYRE-VNQPRFMTSA-N	361.442	2.137	10	10	FECE	
O=C(NCc1ccccc1N1CCOCC1)NCc1c(O)cccc1F	915199238	HRDURRQTEUKFPB-UHFFFAOYSA-N	359.401	2.367	10	10	FECE	
COc1cccc(O)c1CNc1ccc([C@@]2(C)NC(=O)N(C)C2=O)cc1	848561715	CBYZOJMFRNXUGV-LJQANCHMSA-N	355.394	2.410	10	10	FECE	
CN(C)c1ccc([C@@H](N)CNS(=O)(=O)C[C@@H]2CCCC2(F)F)cc1	842785018	KKJIFZKUYGTBES-ZFWWWQNUSA-N	361.458	2.107	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)[C@@H]1CCCNC1	923582218	KRTPFBDEXJSPBP-GOSISDBHSA-N	351.516	2.191	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)c2cnnn2C2CCNCC2)cc1	852776595	VCJNCSHRJNMZGH-UHFFFAOYSA-N	370.501	2.321	10	10	FECE	
COc1ccc(N(CC(=O)O)CC(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)cc1	853003621	AZYHQLJSMPQKGZ-QZTJIDSGSA-N	372.396	2.398	10	10	FECE	
Oc1c(Br)cccc1CNc1ccnc(N2CCOCC2)n1	764934789	LWPSERZBICFCGW-UHFFFAOYSA-N	365.231	2.393	10	10	FECE	
COC(=O)[C@@H]1CN(Cc2cc(OC)cc(C(C)(C)C)c2O)C[C@@H](C)O1	862486554	DUQWAFIERWKIJL-WBMJQRKESA-N	351.443	2.461	10	10	FECE	
COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1ccc(O)cc1C(C)=O	766047422	HXXCFKJHDXEVRD-UHFFFAOYSA-N	363.391	2.491	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)N1CCC2(CC1)C(F)(F)C2(F)F	1118315416	ABDRNJSAEWETAP-UHFFFAOYSA-N	374.334	2.244	10	10	FECE	
CCc1noc(C)c1-c1noc(-c2cc(NS(C)(=O)=O)ccc2O)n1	771727288	WMXUHOIAVPPVNM-UHFFFAOYSA-N	364.383	2.340	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)NCC1(CN=[N+]=[N-])CC1)[C@@H](O)C(C)(C)C	1878001339	NRDFEFIUIVDAOF-VXGBXAGGSA-N	369.466	2.493	10	10	FECE	
CCc1nc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(C)o1	795397425	QGZDBUGISZBUHP-OAHLLOKOSA-N	370.453	2.177	10	10	FECE	
COC(=O)C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccncc1	1143875881	XKXRODINQNZCFD-AWEZNQCLSA-N	355.354	2.278	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2C[C@@H](C(N)=O)[C@H](c3ccccc3)C2)cc1	1161894405	OINRZNHWYIWSAX-JKSUJKDBSA-N	365.393	2.190	10	10	FECE	
C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)CC(F)F	1328258062	VTNGJGYXXXDWDV-CYBMUJFWSA-N	353.413	2.311	10	10	FECE	
CCNCc1ccc(N(C)[C@@H](C)CS(C)(=O)=O)cc1Br	688570307	QACVFVOEGZTNIH-NSHDSACASA-N	363.321	2.428	10	10	FECE	
O=C(Nc1nnc(-c2ccncc2)s1)C1=S=c2ccnc(Cl)c2=C1	1519590101	QJRCUGSRZINGLP-UHFFFAOYSA-N	373.850	2.238	10	10	FECE	
CCC(C)(C)[C@H](O)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1	1454463902	BCFYJZCVJWHXHU-QGZVFWFLSA-N	350.459	2.150	10	10	FECE	
Cc1ccc(C(=O)N2CC3(C2)OC(=O)Nc2ccc(F)cc23)c(O)c1O	1637124433	CPSBKIGPXNMQFO-UHFFFAOYSA-N	358.325	2.459	10	10	FECE	
Cn1cc(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])c(CNC(=O)OC(C)(C)C)n1	2124538852	OEWAXVSLPQOOQN-LLVKDONJSA-N	363.422	2.360	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(CC2CC2)n1CC[C@@H]1COCCO1	1768684370	SRCHUGIKFSPFIJ-QGZVFWFLSA-N	372.469	2.378	10	10	FECE	
CCO[C@@H](CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1)CN(C)C	1683981863	QGFRQHWUOQFYCM-IBGZPJMESA-N	362.518	2.395	10	10	FECE	
CN1C(=O)C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)[C@H]1c1cccc(F)c1	1860327646	OKDNCAJJEFHASS-DNVCBOLYSA-N	372.396	2.115	10	10	FECE	
CCOC(=O)c1ccc(N2C[C@H](C(=O)Nc3ccc(N)cc3)CC2=O)cc1	1865926197	BWOBPYIMQVHQQU-CQSZACIVSA-N	367.405	2.437	10	10	FECE	
CN1C(=O)COc2ccc([C@H]3CN(Cc4ccc(N)cc4)C(=O)O3)cc21	585894319	ZEFMXOJJYAKNBR-QGZVFWFLSA-N	353.378	2.318	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1	2132401494	UQGIVQBWOUBWEI-CYBMUJFWSA-N	366.414	2.179	10	10	FECE	
CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1cc(O)c(O)c(O)c1	2132413783	QCMPQDICVIYQDV-LLVKDONJSA-N	366.414	2.132	10	10	FECE	
C[C@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C)c1ccccc1O	827959624	DJFIUALPEAGIMB-DZGCQCFKSA-N	363.458	2.121	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@@]1(C)COC(=O)N1	1951832723	IDKQDEVLTPBBAA-SUMWQHHRSA-N	352.387	2.032	10	10	FECE	
O=C(CCCOCc1ccccc1)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O	2160286562	RCJXXYSJIBRNFF-INIZCTEOSA-N	373.405	2.207	10	10	FECE	
CN(Cc1cc(Cl)cc(Br)c1O)[C@@H]1COC[C@@H]1C(=O)O	708089862	MROAQOCTQHGCQJ-GXSJLCMTSA-N	364.623	2.340	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@](F)(CNCc2ccc(O)c(O)c2O)C1	2043082996	VJGMUMHGPLXQMV-OYHSWFHJSA-N	356.394	2.288	10	10	FECE	
CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(CCCN=[N+]=[N-])C1	2054255663	OPFDLCKHBBXIMF-ZDUSSCGKSA-N	354.455	2.040	10	10	FECE	
CN(C)c1ccc([C@](C)(O)[C@](C)(NC(=O)OC(C)(C)C)C(=O)O)cc1	2058201946	XPPQXLABEJEHJV-MSOLQXFVSA-N	352.431	2.328	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2060634718	CSGHUANXEOFWAB-QWHCGFSZSA-N	355.439	2.201	10	10	FECE	
O=C(O)[C@H]1C[C@H](O)CCN1Cc1cc(Cl)cc(Br)c1O	2201090416	JNAOIHAUIWEQGB-MWLCHTKSSA-N	364.623	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2CC(=O)Nc1ccc(N)cc1	2106676642	BDMVPSCHBKRQSV-IYBDPMFKSA-N	360.458	2.291	10	10	FECE	
C[C@@H](CCNC(=O)OC(C)(C)C)N(C)C[C@@H](O)COc1ccc(N)cc1	2106760915	STUOHDLKKHSRSF-GOEBONIOSA-N	367.490	2.244	10	10	FECE	
CN1CCc2cc([C@H](N)[C@@](O)(CNC(=O)OC(C)(C)C)C3CC3)ccc21	2106849113	QXNVQWFZGSLJHP-FXAWDEMLSA-N	361.486	2.345	10	10	FECE	
CCN1CCc2cc([C@@H](N)[C@@H](O)C3(NC(=O)OC(C)(C)C)CC3)ccc21	2106854142	ZLAFLGPJHQQNHA-IAGOWNOFSA-N	361.486	2.487	10	10	FECE	
CN1CCC(CCNC(=O)C=Cc2ccc(N3CCOCC3)cc2)CC1	2297505731	WWYXUFLHEVHKMJ-UHFFFAOYSA-N	357.498	2.385	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)C=Cc2ccc(N3CCOCC3)cc2)CN1C1CC1	2298049924	XZFZZLIGSSMNID-FUHWJXTLSA-N	355.482	2.278	10	10	FECE	
COC(=O)CCN1C(=O)C(=C2C(=O)Nc3c(C)cccc32)SC1=S	2314769887	WNQVPAQHTNMCSM-UHFFFAOYSA-N	362.432	2.082	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCc4ncnn4C3)c2C)cc1	112653572	QTLVLOVTAIJPQJ-OAHLLOKOSA-N	365.437	2.439	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@@]3(C)CC(C)=NO3)cc2F)CC1	1352971112	YXEXFSZTIZVFMF-LJQANCHMSA-N	362.449	2.139	10	10	FECE	
COc1cc(/C=C2/SC(=S)N([C@H](C)C(=O)O)C2=O)cc(OC)c1O	33686150	LIWMOTODMOVWHO-PKTIUJEHSA-N	369.420	2.084	10	10	FECE	
C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)C(=O)N1CCCCC1	194675361	FHWCZCYAJNQIOG-OAHLLOKOSA-N	358.486	2.269	10	10	FECE	
Cc1cc(C(=O)NCCS(=O)(=O)NC(C)C)c(C)n1-c1ccccc1	194518129	CKVPYPLQDPKSHR-UHFFFAOYSA-N	363.483	2.152	10	10	FECE	
CN1CCC[C@@H]2CN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)CC[C@H]21	248065944	MFJOLVBXBISXKJ-HHGHRULOSA-N	369.509	2.479	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC3(CCN(C)C3=O)CC2)c([N+](=O)[O-])c1	364971967	AIDAJZAWYMOOEF-GQCTYLIASA-N	373.409	2.230	10	10	FECE	
CC[C@H](C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)C(=O)OC	276810359	FPLULTKURYLZCD-VNHYZAJKSA-N	366.433	2.255	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@@H]3CCc4nc[nH]c4C3)CC2)cc1	378097344	UTAXCTIYELMHIJ-OAHLLOKOSA-N	369.469	2.198	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)C34CCCN3CCC4)cc2F)CC1	377956737	MKWNREBTTOTVCV-UHFFFAOYSA-N	374.504	2.212	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1	282990727	FNSMKFAFBXSUIB-DHSIGJKJSA-N	363.454	2.397	10	10	FECE	
COC[C@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1	285768350	DXHHLPFPSIHROI-IBGZPJMESA-N	369.465	2.215	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)C1(C(=O)NC2CC2)CCC1	804734041	AKJMHBRCJLJWDA-UHFFFAOYSA-N	367.243	2.220	10	10	FECE	
CC(C)OCc1cc(NS(=O)(=O)c2c[nH]c(C(=O)O)c2)ccc1O	290550431	QISCKTUZIBNBRV-UHFFFAOYSA-N	354.384	2.144	10	10	FECE	
CNC(=O)[C@H]1CCN(C(=O)Cn2c3c(c4cc(OC)ccc42)CCCC3)C1	650103980	UEULEVMDZOZXDW-AWEZNQCLSA-N	369.465	2.123	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CC[C@@H]4C[C@@H]4C3)cc2)C1	817428406	KUPURWHWDHJLEL-BRSBDYLESA-N	355.482	2.441	10	10	FECE	
CCOC(=O)c1cc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)on1	822655906	CQWGEYUBSAAZJE-UHFFFAOYSA-N	373.409	2.212	10	10	FECE	
COc1ccc(N(C)CCN(C)S(=O)(=O)CCC[C@H]2CCOC2)cc1	845987721	MKGMSHDUITVYJR-INIZCTEOSA-N	370.515	2.210	10	10	FECE	
COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cn2c(n1)CCC[C@H]2C	841677570	UHTQQAGDZDSCSF-SNVBAGLBSA-N	365.411	2.073	10	10	FECE	
Cc1nn(CC2CC2)c(C)c1CC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	846663426	IRSHESKVMYYBGK-HXUWFJFHSA-N	369.513	2.335	10	10	FECE	
O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)nc1	845818283	SMHHKQMOMTYISK-UHFFFAOYSA-N	362.411	2.069	10	10	FECE	
Nc1ccc(CCNC(=O)N[C@H]2CCN(c3ncccc3Cl)C2)cc1	841854766	DRKKOKOJLRVPKN-HNNXBMFYSA-N	359.861	2.438	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@](C)(O)Cc3ccccc3)C2)cc1	855232264	RVJLZHBUHJBUHI-UWJYYQICSA-N	354.450	2.384	10	10	FECE	
CCON(CC)C(=O)CNCc1cc(Br)cc(OC)c1O	858218983	BMEDGIHNICQFMB-UHFFFAOYSA-N	361.236	2.053	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1O	853554483	AYNJLPKQANZNEA-KDOFPFPSSA-N	368.433	2.433	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@H]2COC[C@H]2C1	851991537	QOFYCMUHMPZNQJ-DLBZAZTESA-N	361.511	2.418	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3ncnn3C(C)(C)C)C2)cc1	852310700	VLMMZNKBPGEQRD-AWEZNQCLSA-N	372.473	2.120	10	10	FECE	
CC(=O)NCc1ccc(CNCc2ccc(N3CCN(C)CC3)cc2)cc1	850343729	WBRNVVNEMZAKJL-UHFFFAOYSA-N	366.509	2.364	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CSCN1C(=O)OCC	935943690	DDSUDIFVERLSBH-LLVKDONJSA-N	359.444	2.026	10	10	FECE	
O=C1OCCN1C[C@@H]1CCN(Cc2c(O)cccc2Br)C1	862381967	LYCDOHHVSPHXKP-LLVKDONJSA-N	355.232	2.429	10	10	FECE	
CNC(=O)CCOC1CCN(Cc2c(O)cccc2Br)CC1	862253042	ZTPYSHIEDZAZKU-UHFFFAOYSA-N	371.275	2.272	10	10	FECE	
CCOC(=O)C1(O)CCN(Cc2c(O)cccc2Br)CC1	862248027	PQYIVXBSOKDODM-UHFFFAOYSA-N	358.232	2.045	10	10	FECE	
Cc1cc(C(=O)CN2C[C@H](C)O[C@H](CO)C2)c(C)n1-c1ccc(F)cc1	787314235	CPAPYLNPVIQIOK-KSSFIOAISA-N	360.429	2.498	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NCc2cccc(C)n2)cc1F	788128038	BAQVFSXSJHJGRK-UHFFFAOYSA-N	372.444	2.308	10	10	FECE	
COC(OC)[C@@](C)(CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1	1881483596	RETOJOHSOHLZPG-LJQANCHMSA-N	367.490	2.484	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CC(=O)N(C)[C@@H](C)C2)cc1F	799924690	GSNHXPMJLRATJO-ZDUSSCGKSA-N	350.438	2.044	10	10	FECE	
CN(Cc1ccccc1O)C(=O)CO[C@H]1CCN(C(=O)OC(C)(C)C)C1	1963340820	ASFQMCZCDMRMRH-HNNXBMFYSA-N	364.442	2.377	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)N3CC[C@H](C(C)C)C3)C2)cc1	1325939078	BXIGWPKMGPYLJA-SJORKVTESA-N	373.497	2.142	10	10	FECE	
CC(C)[C@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C1CC1	1347704291	JPTJCARBIYMXED-IBGZPJMESA-N	373.497	2.032	10	10	FECE	
CCc1nc(C)ncc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	1357836166	PFSAGHUNHRKSIL-UHFFFAOYSA-N	358.417	2.253	10	10	FECE	
COC(=O)[C@H]1C[C@H](O)CN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1	1469816287	ZYSQHMKQZFKUHZ-IRXDYDNUSA-N	370.449	2.399	10	10	FECE	
O=C(NCc1c(O)cccc1F)C1=NN(Cc2ccccc2)C(=O)CC1	1471974796	KLHAFOXHQYSHJW-UHFFFAOYSA-N	355.369	2.326	10	10	FECE	
C[C@H](N[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)c1cc(O)ccc1O	2121660225	BVBVEJAYOHGHIT-ZYIUAKIQSA-N	364.442	2.383	10	10	FECE	
C[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1O	1471194362	SBYDFMAXGUJMMG-GFCCVEGCSA-N	357.366	2.298	10	10	FECE	
[N-]=[N+]=NCCCCNS(=O)(=O)Cc1ncsc1Br	1965753610	JNPRDFMLFUNENW-UHFFFAOYSA-N	354.255	2.416	10	10	FECE	
O=C(NCCCSc1nccs1)N1CC[C@@](O)(C(F)(F)F)C1	154640419	MUENMVGCIYBRLE-NSHDSACASA-N	355.407	2.334	10	10	FECE	
CC(=O)NCCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S	1858591594	IMXXJYFDDBDNQH-RIYZIHGNSA-N	364.448	2.143	10	10	FECE	
Nc1ccc(CS(=O)(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1	2132364593	MXQULQHHBCMOHC-QUCCMNQESA-N	371.506	2.305	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCCOC1	1968857106	HTRDYOCAJNKCHG-LJQANCHMSA-N	364.442	2.425	10	10	FECE	
Nc1ccc(OCC(=O)N[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)cc1	1999148315	GSQOSEIOWMCZQQ-CALCHBBNSA-N	369.421	2.221	10	10	FECE	
O=C(O)CO[C@H]1CCN(Cc2cc(Cl)cc(Br)c2O)C1	2153160155	JJHCXTLOTTWRBJ-JTQLQIEISA-N	364.623	2.484	10	10	FECE	
CC(C)(C)OC(=O)N1CCSC[C@@H](NCc2ccc(O)c(O)c2O)C1	2036058612	YXTUCFDCZWXCLE-LBPRGKRZSA-N	370.471	2.246	10	10	FECE	
Nc1ccc(OCCN2CC[C@](CNC(=O)C(F)(F)F)(C3CC3)C2)cc1	2163022208	WPZNVLOTUSHTFN-QGZVFWFLSA-N	371.403	2.428	10	10	FECE	
CN(C)c1ccc([C@@H](O)c2nn(C)cc2I)cc1	2057482301	YEGNMZFSAQJTDF-CYBMUJFWSA-N	357.195	2.172	10	10	FECE	
CCc1cccc(CN=c2[nH]ccnc2I)c1O	2057938702	IZSVGVYTDKHTPU-UHFFFAOYSA-N	355.179	2.383	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)NCCCCN=[N+]=[N-])C1	2060638866	BVDYYNQBCNVKDZ-LRDDRELGSA-N	353.423	2.077	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1CCOCCN1C(=O)OC(C)(C)C	2106735984	DUTMVGCJBFOMFI-ZDUSSCGKSA-N	364.446	2.080	10	10	FECE	
CC(C)(C)OC(=O)NCC1CCN(C(=O)COc2ccc(N)cc2)CC1	2106776929	NHVGKSLQVLCNKK-UHFFFAOYSA-N	363.458	2.411	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@@H]1C(F)F	2106732187	NKUVEXZLRMLQII-KBPBESRZSA-N	369.412	2.428	10	10	FECE	
CC(C)(C)SCCNC=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O	2297624123	XUGXRVHQOGFRRW-UHFFFAOYSA-N	361.467	2.270	10	10	FECE	
CN1[C@H]2CC[C@H]1CN(C(=O)C=Cc1ccc(N3CCOCC3)cc1)CC2	2297750808	SOENWGLHLCPQPT-ICSRJNTNSA-N	355.482	2.232	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)C2	2310350744	MPFZJIJANKXVFJ-JCHZFPLDSA-N	350.459	2.430	10	10	FECE	
COc1ccc(N2CCC(NC(=O)c3cnn4ccc(C)nc34)CC2)cc1	68771119	AETUOAVMWUHGSL-UHFFFAOYSA-N	365.437	2.445	10	10	FECE	
CCN(C)c1ccc([C@H](C)Nc2cnn(CC(=O)NCCOC)c2)cc1	180108420	IFOKQKIHJUSYNY-HNNXBMFYSA-N	359.474	2.275	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)NC[C@H](O)c1ccsc1	255388118	ASNWPGHWHNUCII-CJISVDGZSA-N	358.463	2.448	10	10	FECE	
CN1CCC[C@@H](CN(C)C(=O)/C=C\c2ccc(N3CCOCC3)cc2)C1	255421352	GLXNOYBSCNTHSZ-JNLAIUADSA-N	357.498	2.337	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)NC[C@H](O)[C@H]2CCCO2)CCCC1	628597529	QSJFQUAZNYYGPE-VQTJNVASSA-N	372.465	2.185	10	10	FECE	
OC[C@]1(NCc2ccc(N3CCOCC3)cc2)CCOc2ccccc21	374137222	SPYCZGCCRJDMAU-OAQYLSRUSA-N	354.450	2.283	10	10	FECE	
Cc1ccc(CNC[C@H](C2CC2)S(C)(=O)=O)c(O)c1Br	2380792223	GRSSSFVTKWBYBO-GFCCVEGCSA-N	362.289	2.376	10	10	FECE	
COC(=O)c1ccc(C(=O)NCc2cc(Br)ccc2O)cn1	804739844	VQBWNQQTQLQZMT-UHFFFAOYSA-N	365.183	2.266	10	10	FECE	
O=C(CNC(=O)c1ccsc1)NCc1cc(Br)ccc1O	804737333	OUKMGZILIFGZPR-UHFFFAOYSA-N	369.240	2.262	10	10	FECE	
COc1ccc(N2CC[C@H](N[C@H]3CCC[C@H](S(C)(=O)=O)C3)C2)cc1	826846315	SQMMPRLOQIRQLZ-MPGHIAIKSA-N	352.500	2.219	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(-c2cc[nH]n2)n1C[C@H]1CCCO1	829598380	BRGHBFNOTNQOAI-CQSZACIVSA-N	354.414	2.189	10	10	FECE	
CO[C@H]1C[C@@H](N(C)C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1	838738317	ALGPGCRXAGEKGY-OKILXGFUSA-N	369.412	2.120	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)N3CC[C@@H]3C3CC3)CC2)cc1	837389866	ADYVSHGKUUEHFW-HXUWFJFHSA-N	372.513	2.401	10	10	FECE	
O=C(NCc1cccc(Br)c1O)c1cc2c([nH]1)CCOC2	837582002	MQUISJJCHDLERL-UHFFFAOYSA-N	351.200	2.486	10	10	FECE	
C[C@@H](NC(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)c1ccccc1O	827937040	IXYBLZNDPXCCFI-TZMCWYRMSA-N	350.415	2.205	10	10	FECE	
COc1cc(Br)cc(CNC[C@H]2CN(C3CC3)C(=O)O2)c1O	848578858	TYUCCGBMMQOASU-LBPRGKRZSA-N	371.231	2.236	10	10	FECE	
CN1CCN(c2ccc(CN3CCc4ccccc4[C@H]3CN)cc2)CC1	843129247	OLGSJQSDMFJLHP-JOCHJYFZSA-N	350.510	2.497	10	10	FECE	
COC(=O)N(C)CCN(C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	852384310	BLFKGPADEITIGF-OAHLLOKOSA-N	364.490	2.332	10	10	FECE	
Cn1nccc1[C@H](O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	922973494	PGKCGTNOIUKKQB-GOSISDBHSA-N	359.430	2.142	10	10	FECE	
C[C@H](NC(=O)NCCO[C@@H]1CC1(F)F)c1ccc(N2CCOCC2)cc1	852012975	QMOJPWGDIFEJFN-XJKSGUPXSA-N	369.412	2.308	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@]3(O)CCc4ccccc4C3)C2)cc1	855225412	MVBYJFXTHGSXLS-XMSQKQJNSA-N	366.461	2.310	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCO[C@H](C(F)(F)F)C3)C2)cc1	854300598	WPZJBCXZIDYMCF-DOMZBBRYSA-N	373.375	2.247	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)OCC(=O)N1CCC[C@@H](C(F)(F)F)C1	750556705	WOSRRYZUVHCNLZ-FVOPLDGLSA-N	373.327	2.455	10	10	FECE	
Cc1cc(C(=O)COC(=O)[C@H]2CCN(C)C2=O)c(C)n1-c1ccc(F)cc1	772535267	WOGUYQYQRDRXDR-INIZCTEOSA-N	372.396	2.437	10	10	FECE	
COc1cc(NS(=O)(=O)c2cc(C(=O)O)cc3c2CCC3)ccc1O	797820145	IIEKESPVYYWABM-UHFFFAOYSA-N	363.391	2.389	10	10	FECE	
N=C(O)OC[C@@H](Cc1ccccc1)NC(=O)/C=C\c1ccc(O)c(O)c1	1142251942	OYCZUNRHVSXVQB-SOIVGHGOSA-N	356.378	2.348	10	10	FECE	
COc1ccc(N2CCN(CCN[C@@H]3CCN(C)[C@H]4CCC[C@@H]43)CC2)cc1	796728542	OAJCLMQDWIDBID-VSKRKVRLSA-N	372.557	2.280	10	10	FECE	
CCOc1cccc(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1	797833810	KGSYNRDCKXOZEK-UHFFFAOYSA-N	373.428	2.315	10	10	FECE	
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC(=O)Cc1ccc(O)c(O)c1	1157711184	AEJNRDBNARGZMM-XJKSGUPXSA-N	357.406	2.177	10	10	FECE	
COc1ccc(Br)c(CN(C)[C@H](C)C[S@@](C)=O)c1O	1964620772	ZYDULFZZICMHQJ-AYLIAGHASA-N	350.278	2.362	10	10	FECE	
CC(C)C[C@H](O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1256237202	UCYCTGXIYXJNCY-ZWKOTPCHSA-N	350.507	2.062	10	10	FECE	
C[C@H](O)C(C)(C)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1351512386	DLVCJFJMPRCHDI-YOEHRIQHSA-N	350.507	2.062	10	10	FECE	
C[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1O)N(C)C	1288646787	FUVVPLBDVZCECB-GDBMZVCRSA-N	359.474	2.074	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CCCN1C(C)C	1446816772	QRJMIZCXMQHVJB-OAHLLOKOSA-N	368.861	2.420	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@H]2CCOC2)n1CC1(O)CCC1	1617939309	BAZNZHZHTSBABD-HNNXBMFYSA-N	358.442	2.039	10	10	FECE	
COC(=O)c1ccc(OC)c2c1CCN(C(=O)c1ccc(C)c(O)c1O)C2	1558191531	KCGQNUNMGLQRKO-UHFFFAOYSA-N	371.389	2.400	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1cc(Br)cn2ccnc12	1570463453	PYSBEWHLQPRJFM-UHFFFAOYSA-N	362.183	2.438	10	10	FECE	
Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)N[C@H](C)c1ccccc1O	1587446862	ACQAEIYCZFRIRJ-LLVKDONJSA-N	354.410	2.416	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(O)nc2)cc1	1587130558	RBSDCNKHERNZID-HIFRSBDPSA-N	355.354	2.210	10	10	FECE	
Cc1ccc(C(=O)N2CCCN(C(=O)c3cc(O)c(O)c(O)c3)CC2)cc1	169844352	YCUHFZPPEAJKSR-UHFFFAOYSA-N	370.405	2.100	10	10	FECE	
CCN(CC)c1ccc(CNCC(=O)N2CCC(C(=O)OC)CC2)cc1	1857866594	SDZBUXJSHJXTCI-UHFFFAOYSA-N	361.486	2.034	10	10	FECE	
CO[C@H]([C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C(C)(C)N	1952830282	UUDLQEKEZCDFEX-SWLSCSKDSA-N	354.447	2.286	10	10	FECE	
COc1cc([C@]2(C(=O)O)C[C@@H]2NC(=O)OCc2ccccc2)cc(O)c1O	1952828502	BJLDFEJTYPVJBK-HNAYVOBHSA-N	373.361	2.128	10	10	FECE	
O=C(N[C@H]1[C@H]2C[C@H]1N(C(=O)c1ccc(O)c(O)c1)C2)OCc1ccccc1	2006277872	HAJQBRXNCAMMNI-DAYGRLMNSA-N	368.389	2.237	10	10	FECE	
CC(C)(C)OC(=O)N1CCS[C@@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1	2010393401	RWGSSXJDSASMLV-NWDGAFQWSA-N	355.464	2.498	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CCCN2c2cc3c(cc2N)OCC(=O)N3)C1	2163089759	OIMJTQGOOQCMHK-UHFFFAOYSA-N	374.441	2.189	10	10	FECE	
CC(C)(C)OC(=O)N1CC(OCC(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C1	2060614159	ZBJOURDANMCESN-LBPRGKRZSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2060611117	PGSAUPKYQCTSLR-MLGOLLRUSA-N	353.423	2.314	10	10	FECE	
CN1CCc2cc([C@@H](CN)N3C[C@@H]4[C@H](C3)[C@@H]4NC(=O)OC(C)(C)C)ccc21	2195175205	AKNVEASFGKBPOL-UKBAYJJMSA-N	372.513	2.134	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C2(CC2)CO1	2065371634	OFBBUSKOMQGFMM-GFCCVEGCSA-N	353.423	2.314	10	10	FECE	
Cc1cccc(CNc2ncnc(O)c2I)c1O	2084057674	XBYLGSKIONINNA-UHFFFAOYSA-N	357.151	2.413	10	10	FECE	
CC(C)(C)OC(=O)N1CCCN(CCNCc2cccc(O)c2O)CC1	2112026841	MWNWVNBNAMEWBL-UHFFFAOYSA-N	365.474	2.130	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(c2ccc3c(c2)OCCCO3)C1	2226800947	XGFJFAGOYOCDGP-HIFRSBDPSA-N	364.442	2.312	10	10	FECE	
Cc1cccc(CNC(=O)CN(C(=O)OC(C)(C)C)[C@H]2CCOC2)c1O	2272548798	RPJFIXDMKQOCPQ-HNNXBMFYSA-N	364.442	2.343	10	10	FECE	
CC(C)OC(=O)[C@@H](C)CNC(=O)C=Cc1ccc(N2CCOCC2)cc1	2297680884	VMUWECRKRPVRSA-INIZCTEOSA-N	360.454	2.240	10	10	FECE	
CSc1ncc(CN[C@@]2(C(=O)O)CCN(C(=O)OC(C)(C)C)C2)s1	2305587376	FNRNJTBVNPZYAS-HNNXBMFYSA-N	373.500	2.419	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H](C(=O)C(=O)C[C@H]3C[C@H](N)C3)C[C@@H]21	2311800121	QCFGFWCEQSTBIY-LZXPERKUSA-N	350.459	2.191	10	10	FECE	
CCN(CCS(C)(=O)=O)Cc1ccc(C)c(Br)c1O	2352602171	RBXCCGARMQTDJA-UHFFFAOYSA-N	350.278	2.330	10	10	FECE	
CNC(=O)CN1CCCN(C(=O)c2sccc2-n2c(C)ccc2C)CC1	368827914	BOOWMJKKXPAFFW-UHFFFAOYSA-N	374.510	2.050	10	10	FECE	
COc1ccc(N2CCCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)cc1	378143801	PPEPLLLULNOITK-UHFFFAOYSA-N	356.382	2.351	10	10	FECE	
COc1cc(C)cc(NC(=O)C(=O)NCCc2ccc(O)c(O)c2)c1C	280351602	UTBBGSQFIXQPFI-UHFFFAOYSA-N	358.394	2.021	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCCCSC	807261948	MURMNMJURYYNNV-UHFFFAOYSA-N	351.516	2.361	10	10	FECE	
CN(C[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2O)C1)S(C)(=O)=O	294687415	NHCYWPOSSOAOGX-NSHDSACASA-N	364.870	2.288	10	10	FECE	
Cc1noc(C)c1CCCNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	806484459	KLBHGZSVYUTQCO-UHFFFAOYSA-N	372.469	2.065	10	10	FECE	
CN(C(=O)CN1[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2)c1ccc(N)cc1	2162943105	XCUCEMIAFOTQSJ-IRXDYDNUSA-N	374.485	2.315	10	10	FECE	
CN(CCC(=O)Nc1ccc(N)cc1)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21	2163030703	WPQOTTJAYGLULR-ALXJQNPVSA-N	374.485	2.395	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc([N+](=O)[O-])cnc1C	819692561	AOBFGMJULKPPMJ-UHFFFAOYSA-N	373.365	2.209	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)NC[C@H](C)C(C)C)C2)cc1	824950112	HEJGASVFTFHWEQ-HOTGVXAUSA-N	361.486	2.046	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)N[C@H]3CCC[C@H]3C)CC2)cc1	729605531	CHGBZPWRFPWIDJ-APWZRJJASA-N	360.502	2.305	10	10	FECE	
Cc1ccc(C(=O)OCC(=O)N2CCC[C@H](C(F)(F)F)C2)c(O)c1O	727004282	QYNCJKJFTKYIQQ-JTQLQIEISA-N	361.316	2.364	10	10	FECE	
COc1ccc(N2CCN(Cc3ccc([N+](=O)[O-])c(OC)c3O)CC2)nc1	825305636	PDXBWMGXRXVLBB-UHFFFAOYSA-N	374.397	2.035	10	10	FECE	
C[C@@H](C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1CCCO1	909856564	OBIOQKRKHPQZHD-WBMJQRKESA-N	354.397	2.233	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCC[C@H]([C@]3(C)COC(=O)N3)C2)cc1	902898933	YCNGYRWIQJCWKS-KXBFYZLASA-N	360.458	2.173	10	10	FECE	
CN1CCC(CNC(=O)NCCc2ccc(N)cc2)(N2CCCCC2)CC1	841838614	CCMQAXVIDDXKLM-UHFFFAOYSA-N	373.545	2.061	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)C2)cc1	855226783	UEQMWYLOOAALTQ-RDTXWAMCSA-N	371.393	2.032	10	10	FECE	
C[C@@H]1C[C@]2(CCO1)C[C@@H]2C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	759653787	NIAQMWSDLHMRDJ-FQELHTAISA-N	374.481	2.459	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Cc3n[nH]c4c3CCCC4)C2)cc1	855225468	JKXLTIVZIBQFMC-AWEZNQCLSA-N	354.454	2.235	10	10	FECE	
O=S1(=O)Cc2ccccc2[C@H](NCc2ccc(N3CCOCC3)cc2)C1	857062214	ZCMBJYDVQLWYPV-HXUWFJFHSA-N	372.490	2.283	10	10	FECE	
CO[C@@H]1CCC[C@H]([C@@H](CO)NC(=O)NCc2ccc(N3CC=CC3)cc2)C1	852138912	WAIATKIZBKYGGB-DFQSSKMNSA-N	373.497	2.428	10	10	FECE	
COC(=O)[C@H](CNC(=O)NCc1ccc(OC)cc1O)Cc1ccccc1	924953409	ZTPSIJUSRJAANM-INIZCTEOSA-N	372.421	2.232	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCCc2n[nH]cc21	856212448	MIELGWKNCMCRAM-QGZVFWFLSA-N	354.454	2.107	10	10	FECE	
Cc1cc(O)c(CNC[C@@]2(CO)COCC3(CCC3)N2C)cc1Cl	862464059	RLMAVYIMWVIFEB-GOSISDBHSA-N	354.878	2.059	10	10	FECE	
C[C@H]1C[C@H]1c1noc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1	865909478	RJMRUSJNLDLNBI-WCQYABFASA-N	360.389	2.099	10	10	FECE	
O=[S@]1[C@H]2CC[C@H]1CN(Cc1ccc(N3CCOCC3)c(F)c1)CC2	862528456	ZNSBQJWCAJCQOI-YWTKSJFSSA-N	352.475	2.148	10	10	FECE	
COc1ccc(O)c(CNC(=O)c2c[nH]ccc2=NC(=O)OC(C)(C)C)c1	780935359	JINLFFANENCBLB-UHFFFAOYSA-N	373.409	2.495	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)Cn3nnc4ccccc43)C2)cc1	1142802363	QKFAOBQLEMSQDW-OAHLLOKOSA-N	365.437	2.083	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@H](NC(N)=O)c1cccs1	1157102149	JHTIMQSNGFFHDM-NSHDSACASA-N	368.455	2.355	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN(C)C[C@]34CCC[C@H]3OCC4)nc12	1308168814	NYNGMEDOWLSLCN-DNVCBOLYSA-N	374.441	2.003	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@]1(NC(=O)OC(C)(C)C)[C@H]2CCO[C@H]2C1(C)C	2124514763	ZEHCDHVBZNGMEO-XWCIJXRUSA-N	367.450	2.464	10	10	FECE	
CN(C)CCN(CC(=O)N1CCC[C@H](CN=[N+]=[N-])C1)C(=O)OC(C)(C)C	2124513355	PSEKHVMJHGCOJO-CQSZACIVSA-N	368.482	2.334	10	10	FECE	
CC(C)(C)OC(=O)NCC1(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CCOCC1	2124506272	VPJJTHVQXSYANH-CYBMUJFWSA-N	367.450	2.467	10	10	FECE	
CCC[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1cccc(O)c1O	1263894808	WHHFCWVQORJCIG-INIZCTEOSA-N	356.422	2.242	10	10	FECE	
CN(C)c1ncc(Br)cc1C(=O)NCc1cc(O)ccc1O	1471661592	USFJZCVNLCIXOX-UHFFFAOYSA-N	366.215	2.251	10	10	FECE	
CCCCOc1ccc(C(=O)NCC(=O)NCc2c(O)cccc2O)cc1	1558534975	ZZYPVHKWRMWNFS-UHFFFAOYSA-N	372.421	2.323	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCc3ccc(F)cc32)=C[C@@H]1O	2136288252	NCMKHAKWCCWWIH-ZBFHGGJFSA-N	362.401	2.299	10	10	FECE	
CCCc1[nH]nc(C(=O)C(=O)CC(C)(C)CC(=O)OCC)c1[N+](=O)[O-]	1623573840	GAPQLSJPXVGWGK-UHFFFAOYSA-N	353.375	2.392	10	10	FECE	
Cc1cc(C(=O)NCc2cc(O)nc(S)n2)c(C)n1-c1ccccn1	1631839651	WFRPAFJRYMMEEM-UHFFFAOYSA-N	355.423	2.203	10	10	FECE	
O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCc1c(O)cccc1O	1645363021	JJIIGKFNPQHIFN-UHFFFAOYSA-N	369.333	2.249	10	10	FECE	
CCO[C@@H](CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)CN(C)C	1686826457	IRJMHHLWCKUTQD-APWZRJJASA-N	364.534	2.258	10	10	FECE	
Cc1ccc(O)c(CNC(=O)NCc2cnc(Br)cn2)c1	1687253058	QRVOHQDJFVADDU-UHFFFAOYSA-N	351.204	2.253	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)N(CCO)CC(C)(C)C)N(C)C)cc1	1687806233	AOQNEJNYBZVVJQ-GOSISDBHSA-N	364.534	2.405	10	10	FECE	
COC(=O)/C=C/c1ccc(N(C)C[C@H]2CCN(C(C)=O)C2)c([N+](=O)[O-])c1	165899549	OCGGTWWQASEMIO-KEDPEKRHSA-N	361.398	2.086	10	10	FECE	
CC[C@@H](CS(C)(=O)=O)NCc1cc(Br)cc(F)c1O	1966013410	GWCPUBXIWOBFDH-JTQLQIEISA-N	354.241	2.207	10	10	FECE	
C[C@H](O)c1ccc(N2C[C@@H]3CCS(=O)(=O)[C@H]3C2)c(Br)c1	2145050184	PGYAIJDEURIATB-CHIMOYNISA-N	360.273	2.126	10	10	FECE	
C[C@H](N)c1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)cc1Br	2148776036	DYHOKTXZZXTYJF-QWRGUYRKSA-N	361.305	2.340	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](NCc1ccc(O)c(O)c1O)C(F)(F)F	401686681	WYSKSRRFKIAUDA-SNVBAGLBSA-N	366.336	2.349	10	10	FECE	
CN1CCc2cc(CN[C@H]3[C@H]4OCC[C@@H]4[C@H]3NC(=O)OC(C)(C)C)ccc21	383220082	NHPMGIIHBYOXFC-OWYHZJEWSA-N	373.497	2.449	10	10	FECE	
C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1[C@H](CN)c1ccc(N(C)C)cc1	2194811687	AEQCMUBSTQMCJD-DAXOMENPSA-N	372.435	2.284	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)[C@H]2CCC[C@H]21	2053218368	FUFSSPXQNNYBEV-XMDOAZLISA-N	350.459	2.191	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060617186	KOLQMQUFFNFCJP-JHJVBQTASA-N	353.423	2.170	10	10	FECE	
CNC(=O)CN(CCCC(=O)Nc1ccc(N)cc1)Cc1ccccc1	2095918968	IXMZAACAVFUSLD-UHFFFAOYSA-N	354.454	2.236	10	10	FECE	
C[C@H](C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-])N1CCN(C(=O)OC(C)(C)C)CC1	2225792388	MSWGXWSTVOISGA-MGPQQGTHSA-N	366.466	2.275	10	10	FECE	
Cc1cccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C(=O)NC2=S)c1	2296088881	UWRHXMWUQJIUCZ-UHFFFAOYSA-N	357.347	2.328	10	10	FECE	
NC(=O)CN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S	2296806985	NBAZFZOWCBSCEI-UHFFFAOYSA-N	357.254	2.136	10	10	FECE	
C[C@H](O)[C@H](C(=O)O)N1C(=O)C(=Cc2c[nH]c3ccccc23)SC1=S	2323823483	MBLOVSPLEFDDTJ-ISVAXAHUSA-N	362.432	2.203	10	10	FECE	
C[C@H](N[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)c1cc(O)ccc1O	2330887053	BVBVEJAYOHGHIT-MQVNZCODSA-N	364.442	2.383	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1F	119665165	WCPGKQMHTOOKBC-GOEBONIOSA-N	362.449	2.092	10	10	FECE	
Cc1ccc2c(c1)C(=O)N(CCCC(=O)NCCc1ccc(N)cc1)C2=O	179042981	WGVDBCCQJRPPNC-UHFFFAOYSA-N	365.433	2.312	10	10	FECE	
NC(=O)c1ccc(NCC(=O)NCc2ccc(N3CCCC3)cc2)cc1	172698707	ZPSUHPZEZMJHKP-UHFFFAOYSA-N	352.438	2.114	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3CCC[C@H](n4cncn4)C3)ccc21	174447772	QFGHZCRHFHGVJX-KRWDZBQOSA-N	354.458	2.207	10	10	FECE	
Cc1cc(C(=O)CN2C[C@@H](O)C[C@@H]2CO)c(C)n1-c1ccc2c(c1)CCC2	184723981	ZDXUIXQIDBKYHA-UXHICEINSA-N	368.477	2.193	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCC[C@H](N(C)CC(=O)O)CC2)c1O	192001965	VFLDCNBTMVWZEF-HNNXBMFYSA-N	352.406	2.105	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC(N(C)C)C2)C1	444312464	KZUDQPDFJGSTPA-UHFFFAOYSA-N	354.498	2.180	10	10	FECE	
Cc1ccc(C(=O)N2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c(O)c1O	804201963	ILYMQSQOGWKKTF-NSHDSACASA-N	374.359	2.327	10	10	FECE	
COc1cccc(CNC(=O)c2ccc(-c3ccccn3)nc2O)c1O	729859323	OKPUKWSPYFNVPB-UHFFFAOYSA-N	351.362	2.493	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCCCN2CCO)cc1	837726729	QBLATHDCVUYQNB-IBGZPJMESA-N	362.518	2.179	10	10	FECE	
CCN(CC)c1ccc(CNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1F	731356591	LLKJOWBALGARKO-ZIAGYGMSSA-N	373.494	2.116	10	10	FECE	
COCCNC1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CC1	846687457	OVTJPSKQPDDYDW-UHFFFAOYSA-N	374.510	2.157	10	10	FECE	
COc1ccc(N2CCN(CCCNC3[C@H](C)COC[C@H]3C)CC2)cc1	924580870	XQKKQZGVTOOVEQ-QZTJIDSGSA-N	361.530	2.468	10	10	FECE	
C[C@H]1CNCC[C@@H]1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	842266108	PIBCKDJRNNIFPB-YJBOKZPZSA-N	373.497	2.168	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCO[C@H]1CC1(F)F	850653542	PGPRXRKJWLVYBI-HNNXBMFYSA-N	370.396	2.061	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2nc(CN(C)C)cs2)c1	924769990	NGNKRSPSIFYQPA-LLVKDONJSA-N	364.471	2.479	10	10	FECE	
CO[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(O)cc1	856212624	PELXPWUQRJLJFR-FQEVSTJZSA-N	370.449	2.357	10	10	FECE	
COC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)c1cc(C)n(-c2ccccn2)c1C	869986923	NDAOIWDIRHTKJU-YWZLYKJASA-N	371.437	2.282	10	10	FECE	
Cn1ccnc1CN1CCN(Cc2c(O)cccc2Br)CC1	862241728	YNBSVSPWFQEALL-UHFFFAOYSA-N	365.275	2.206	10	10	FECE	
COC(C)(C)[C@H](C)NC(=O)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	1119880668	UBBBUMFDVQWIIN-CABCVRRESA-N	363.502	2.038	10	10	FECE	
C[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1cncs1	1119677660	XLHSUMOMZNESTL-ZDUSSCGKSA-N	358.467	2.237	10	10	FECE	
Ic1cnn(Cc2ccc(N3CCOCC3)cc2)c1	877878772	YAAFNLQMHAQHMU-UHFFFAOYSA-N	369.206	2.373	10	10	FECE	
Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1	773087756	KHICXQKTTCKAPE-SNVBAGLBSA-N	356.879	2.487	10	10	FECE	
O=C1[C@@H](NCc2cc(Br)ccc2O)CCN1C1CCOCC1	776230443	IPAJODLNLCEZTB-AWEZNQCLSA-N	369.259	2.024	10	10	FECE	
CC1(C)CO[C@H](CCNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1	897807684	CSUXETUXRGXBBF-GOSISDBHSA-N	371.481	2.000	10	10	FECE	
COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccc(O)c(OC)c1	797820217	LWINOUCHBGKKNP-UHFFFAOYSA-N	351.380	2.297	10	10	FECE	
O=C(CCCNC(=O)c1ccc(F)cc1F)NCc1ccc(O)cc1O	1142530159	MULJCTYOZCPCMV-UHFFFAOYSA-N	364.348	2.202	10	10	FECE	
CC[C@H]1N(C(=O)OC(C)(C)C)C[C@]1(O)[C@@H](N)c1ccc2c(c1)CCN2C	1888030429	CAMNAZJBGVHNNW-FUHIMQAGSA-N	361.486	2.439	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](C(=O)N1CCC(N=[N+]=[N-])CC1)[C@@H]1CCOC1	2124505284	JTQTYHQAFCWBLO-TZMCWYRMSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1	2124509021	KDJJILQRACDGHG-DCGLDWPTSA-N	365.434	2.171	10	10	FECE	
CCN1C[C@H](C)N(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C[C@H]1C	1313211787	KPZCAJDUXYFTPV-MSOLQXFVSA-N	373.545	2.063	10	10	FECE	
CN1CCCc2cc([C@@H](O)[C@@](C)(NC(=O)OC(C)(C)C)C(=O)O)ccc21	2121964842	CLVYAESFUDUNRS-DNVCBOLYSA-N	364.442	2.470	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H]2CCOC[C@@H]2C)cc1	1323319279	LPFGKMQSNOJUBP-YJBOKZPZSA-N	361.486	2.032	10	10	FECE	
CCN[C@H](c1ccccc1O)[C@@H](O)[C@@H]1COCCN1C(=O)OC(C)(C)C	2116193492	YSDDGZLNAFQRHJ-UAGQMJEPSA-N	366.458	2.040	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)Nc2ccc(N)cc2)C[C@@H]1O	2116204454	BSTVYTRYAYKGNN-DFBGVHRSSA-N	364.446	2.055	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N(C)Cc1ccccc1O	2124165967	MOKMNDDNVWQHSA-GDBMZVCRSA-N	364.442	2.233	10	10	FECE	
COc1cccc2c(C(=O)NCc3ccc(N4CCOCC4)cc3)cnn12	1332738308	GGDQJPOWISEGSS-UHFFFAOYSA-N	366.421	2.110	10	10	FECE	
Nc1ccc(NC(=O)CN2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1	2132352637	HHYUPVMZVZROMS-XLIONFOSSA-N	350.466	2.414	10	10	FECE	
C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1cc(O)c(O)c(O)c1	2132398907	AQBPYDLTSJUDKK-SNVBAGLBSA-N	366.414	2.179	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](C(=O)N3CC[C@H](N=[N+]=[N-])C3)C[C@H]21	2135127779	ACKFYTOEQBRFAQ-XJFOESAGSA-N	365.434	2.312	10	10	FECE	
Cc1cc(CNC(=O)N2C[C@@H](CO)[C@@H](CCO)C2)c(C)n1-c1ccccc1	1519515863	WXRXTFQZQRIQLX-HKUYNNGSSA-N	371.481	2.226	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](CO)[C@@H](N(C)C)C2)cc1	1614603843	PBYUYVDKLCMBQL-QUCCMNQESA-N	355.482	2.479	10	10	FECE	
CC(C)COC(=O)N1CCC(C(=O)NCc2cc(O)ccc2O)CC1	1558174705	SIRMDTACQLZZBI-UHFFFAOYSA-N	350.415	2.219	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CSC(c2ccccc2O)=N1	1630334795	HJRMRWPUSSPVMZ-ZDUSSCGKSA-N	358.419	2.024	10	10	FECE	
CC1(C)CC(=O)c2cc(C(=O)NCc3cccc(O)c3O)c(O)nc2C1	1643812605	MSKBDTJNPRAOBI-UHFFFAOYSA-N	356.378	2.284	10	10	FECE	
Cc1cc(CCNC(=O)N2C[C@H]3COC(=O)[C@H]3C2)c(C)n1-c1ccccc1	1674930531	XQMPUWPAGWOREJ-HKUYNNGSSA-N	367.449	2.451	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(-c2cnn(C)c2)n1CC1(C)COC1	1696699749	KFMOTTGZFNXNJQ-UHFFFAOYSA-N	368.441	2.057	10	10	FECE	
Nc1ccc(OCCCN2CCC(NC(=O)Cc3ccncc3)CC2)cc1	586051940	ICISIWORXJHVFP-UHFFFAOYSA-N	368.481	2.256	10	10	FECE	
COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1O	878277310	QYZCVKFCICMQBC-CQSZACIVSA-N	352.431	2.280	10	10	FECE	
CC1(C)C[C@H](S(C)(=O)=O)CN1c1ccc(CN)cc1Br	2179920975	WTFNQFVZOONJPC-NSHDSACASA-N	361.305	2.310	10	10	FECE	
Cc1cccc(N)c1N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1S(C)(=O)=O	2072517407	JTCWKUJMCVDRIF-UONOGXRCSA-N	369.487	2.022	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2CNCc1ccc(O)c(O)c1O	2082900460	HEJQIIMKWCZEGJ-AGIUHOORSA-N	350.415	2.148	10	10	FECE	
CN1CCN(C(=O)C2=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)c2ccccc21	2200998324	KCXFUSXPCHAYSW-WMLDXEAASA-N	373.453	2.054	10	10	FECE	
CC(C)(C)OC(=O)NCCCC[C@H](NCc1ccc(O)c(O)c1)C(=O)O	2274061700	IGQNHIJIYGEXBA-ZDUSSCGKSA-N	368.430	2.336	10	10	FECE	
C[C@H]1CC[C@H](S(C)(=O)=O)CN1c1ccc(CN)c(Br)c1	2279344063	OQVMUZGMLJMECB-GWCFXTLKSA-N	361.305	2.310	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]2C[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1	2309419579	RTIPRQBTWOGJAB-YYFQZIEXSA-N	350.459	2.430	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C	2315986712	HLWXHTBNHUZSEG-LBPRGKRZSA-N	351.411	2.004	10	10	FECE	
Oc1ccccc1CN[C@@H]1[C@H]2CO[C@H](O2)[C@H](Sc2ccccc2)[C@H]1O	20463743	AGUBEXLUYDPTRA-UJWQCDCRSA-N	359.447	2.127	10	10	FECE	biogenic
CC(=O)c1cc(F)cc(CN2CCN(Cc3c(C)nn(C)c3C)CC2)c1O	175649043	SHNSQJSAHLXBCV-UHFFFAOYSA-N	374.460	2.402	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(S(C)(=O)=O)cc1N	307897477	BUWQFHYNEOZQIA-UHFFFAOYSA-N	361.467	2.011	10	10	FECE	
NC1=NC(=O)/C(=C\c2cccc(OCC(=O)Nc3ccc(O)cc3)c2)S1	210901195	GHUKAFYVLNSPFY-OQLLNIDSSA-N	369.402	2.339	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCN(c2ncccn2)C1	32453347	SGNYPFPNDOTPPF-KRWDZBQOSA-N	353.470	2.418	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)/C=C\c1ccc(OCC(N)=O)cc1	214276906	WGGNKMYZUYEPBX-JYRVWZFOSA-N	367.449	2.289	10	10	FECE	
C[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCO1	80010735	OXTJWULPCOPXNP-SUMWQHHRSA-N	351.422	2.029	10	10	FECE	
NC(=O)c1ccccc1CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	190927807	UTPDNWUIRPJJTN-QGZVFWFLSA-N	368.433	2.241	10	10	FECE	
Cc1cc(CNC(=O)NCc2ccc3c(c2)CCCN3C)nc(N(C)C)n1	190429055	ODCNDHMFTMOHME-UHFFFAOYSA-N	368.485	2.233	10	10	FECE	
COCCO[C@@H]1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1	275764773	GBBZYMODEBWGMT-YVARQFDVSA-N	350.371	2.023	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C	808496777	HFADSJLODUPVEZ-SOZFHFLDSA-N	363.454	2.045	10	10	FECE	
C[C@@H](NC(=O)NCc1cc(Br)ccc1O)c1cnn(C)c1	805149090	WGKDHVJTWQCRMB-SECBINFHSA-N	353.220	2.449	10	10	FECE	
CC[C@H]1C[C@@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCO1	817877864	FYWHJBCMNVBVQM-LPHOPBHVSA-N	373.497	2.317	10	10	FECE	
C[C@H](Cc1ccco1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	822936354	AIHLMBURZSGYTA-NVXWUHKLSA-N	369.465	2.476	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)N3CCn4nnc(CO)c4C3)c2C)c1	820133772	PZTSLXJJPBUQRP-UHFFFAOYSA-N	365.437	2.142	10	10	FECE	
CNC(=O)c1ccc(/C=C\C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1	588432731	GZYMQVSZPZGVGW-AGEOTTOMSA-N	354.406	2.218	10	10	FECE	
CO[C@]1(CN[C@H](C)c2cccc(C(F)(F)F)c2O)CCS(=O)(=O)C1	903363681	QSGJVCIISRNVHB-YGRLFVJLSA-N	367.389	2.265	10	10	FECE	
O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)/C=C\c1ccc(O)c(O)c1	588403941	LBYMMQIPRCSLHC-LYASGUKUSA-N	356.378	2.011	10	10	FECE	
C[C@H](NC[C@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(F)cc1O	842882483	GYIZNQYONJEGDN-AAEUAGOBSA-N	351.399	2.417	10	10	FECE	
COCc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)OC)c(C)o1	840916056	WHKXAEQXASFNJE-UHFFFAOYSA-N	355.368	2.027	10	10	FECE	
COc1ccc(N2CCC(NC(=O)NC[C@H]3C[C@@H](N(C)C)C3)CC2)cc1	847305237	DOBHDWIUZAYVFB-RHNCMZPLSA-N	360.502	2.303	10	10	FECE	
O=C(OCc1ccccc1)N1CC[C@](C(=O)O)(c2cc(O)c(O)c(O)c2)C1	1951730395	BSKFXZAKBQHHOY-LJQANCHMSA-N	373.361	2.168	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)NC(=O)c3cccs3)C2)cc1	855228633	FPNKHGCBXMJNJH-UONOGXRCSA-N	373.478	2.270	10	10	FECE	
Cc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1S(C)(=O)=O	759990199	JAFVNORPGPNRBB-UHFFFAOYSA-N	364.423	2.174	10	10	FECE	
CC(=O)Nc1cccc(NC(=O)[C@H](C)OC(=O)c2cccc(O)c2O)c1	758555967	AORZOJBJVZYQMB-JTQLQIEISA-N	358.350	2.240	10	10	FECE	
CC(C)(c1cc(O)nc(O)c1)[C@H](NC(=O)OCc1ccccc1)C(=O)O	1952888129	PPABGXIJRAFHAV-OAHLLOKOSA-N	360.366	2.150	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCN(CC(F)(F)F)CC2)c([N+](=O)[O-])c1	931432876	ICAXBVUMZGPQFR-HYXAFXHYSA-N	373.331	2.465	10	10	FECE	
COC(=O)[C@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)c2ccccc21	768464603	CWJAUQRXKSFZFZ-KBXCAEBGSA-N	355.390	2.485	10	10	FECE	
COc1ccc(N2CCN(c3nnc([C@H]4CCCO4)n3C)CC2)c(OC)c1	871045468	OKJGZSUHHYOFDA-MRXNPFEDSA-N	373.457	2.010	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H](CO)C3)N(C)C)cc1	898144807	NAMOPFAFZSTAFY-MKFRZFLASA-N	374.529	2.062	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)c2cc3c(nc2O)CCC[C@H]3O)c1	1137473411	IKPMWCBEGRYEIF-MGPLVRAMSA-N	358.394	2.362	10	10	FECE	
Cn1cc([C@@H]2[C@H](C(=O)NCc3ccccc3O)CC(=O)N2C(C)(C)C)cn1	795062123	RGQGHHYEHXLWJL-CRAIPNDOSA-N	370.453	2.130	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)NC1CC(N2CCCCC2)C1	792842364	RHKZOMCLWOACEG-UHFFFAOYSA-N	372.513	2.339	10	10	FECE	
CC(C)(C)OC(=O)NCC1(O)CC(C(=O)N2CCC(CN=[N+]=[N-])CC2)C1	2124540171	DPKJKYQNJGPVEA-UHFFFAOYSA-N	367.450	2.201	10	10	FECE	
Cn1nccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2124517116	YAWHFEVMAKKWJF-AAEUAGOBSA-N	363.422	2.287	10	10	FECE	
C[C@H](CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)c1ccncc1	1330386636	HONDBXJDWBAASI-OAHLLOKOSA-N	366.465	2.000	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1	2132413169	KPGKZSOXHCAWCK-CMPLNLGQSA-N	366.414	2.227	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cnc2c[nH]nc2c1	1466398080	HITDIJVBNBYYJY-UHFFFAOYSA-N	374.784	2.132	10	10	FECE	
C[C@@H]1CN(Cc2cccc(CNC(=O)Cc3ccc(O)c(O)c3)c2)CCO1	1464419923	OMYVWVFHEOEJIN-OAHLLOKOSA-N	370.449	2.177	10	10	FECE	
Cc1cc(CC(=O)NCCN2CCNC2=O)c(C)n1-c1ccc(Cl)cc1	1616590881	ZKCJIIDIJQAOBN-UHFFFAOYSA-N	374.872	2.431	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)c3ccc(NC)cn3)cc2F)CC1	1585403978	PWQGPCOVZYDWSQ-UHFFFAOYSA-N	371.460	2.334	10	10	FECE	
OC[C@]1(CNCc2cc(Cl)cc(Br)c2O)CCCO1	1879592026	OJNDDOYNNVEOKR-CYBMUJFWSA-N	350.640	2.439	10	10	FECE	
CN(C)c1ccc([C@H](CN)N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)cc1	1881241153	MNPGRAVXTBMSMF-KNBMTAEXSA-N	360.502	2.351	10	10	FECE	
CC(C)(C)OC(=O)N1CCn2ncc(C(=O)NCCCCN=[N+]=[N-])c2C1	1964942346	BIPQYVCXFYJOGZ-UHFFFAOYSA-N	363.422	2.454	10	10	FECE	
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	270546506	MTPUCIFGQJYKCX-ZDUSSCGKSA-N	352.431	2.450	10	10	FECE	
CN1CCc2cc([C@@H](CN)N(C)CC3CN(C(=O)OC(C)(C)C)C3)ccc21	2194895344	GVAJIJIQJDRTAH-LJQANCHMSA-N	374.529	2.477	10	10	FECE	
CC(C)[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)Cc1ccc(N)cc1	2044253896	XVDMHMAVHDIGDV-HNNXBMFYSA-N	371.503	2.238	10	10	FECE	
C[C@@H](COCC(=O)N[C@H](C)c1ccccc1O)NC(=O)OC(C)(C)C	2072470856	JEBDSINBRIJJNO-QWHCGFSZSA-N	352.431	2.499	10	10	FECE	
C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1c1cc2c(cc1N)OCCO2	2106712502	PKYOPUOMRCWBET-NXEZZACHSA-N	359.348	2.076	10	10	FECE	
COc1cc(N)c(N2CCOC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC	2106808939	ZGGDSLLYVMTJEC-LBPRGKRZSA-N	367.446	2.016	10	10	FECE	
COc1ccc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)c(CCN)c1	2235967627	IQOQMQYSKFOJFQ-VXKWHMMOSA-N	367.493	2.286	10	10	FECE	
C[C@@H]1OC2(C(=O)NCCCCN=[N+]=[N-])CC1(NC(=O)OC(C)(C)C)C2	2254818320	PUHYFQGBVSJQHD-SOISORPOSA-N	353.423	2.408	10	10	FECE	
O=C1N=C(NS(=O)(=O)c2ccccc2)SC1=Cc1ccc(O)cc1	2297592737	HTOWXTIZKPDFCT-UHFFFAOYSA-N	360.416	2.341	10	10	FECE	
CCOc1cc2c(cc1C=C1C(=O)NC(=O)N(C3CCCC3)C1=O)OCO2	2297707541	ZLBUYMDOUSWRFH-UHFFFAOYSA-N	372.377	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@]2(NCc3cc(F)ccc3O)CO[C@H]1C2	2312827733	QYSMEOIFTOGWGO-DHSIGJKJSA-N	352.406	2.446	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(C)nc3C)cc2)CC1	188125031	GERUVIJJVSJUPD-UHFFFAOYSA-N	366.465	2.297	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCn1c(=O)oc2ccccc21	183455781	WILCCIBXDXRJBS-GFCCVEGCSA-N	356.378	2.143	10	10	FECE	
CO[C@H](C)c1noc(CN(C)C(=O)NCc2ccc(N3CC=CC3)cc2)n1	267108779	WYOBDRHFEJBUJP-CQSZACIVSA-N	371.441	2.495	10	10	FECE	
COCc1ccc(CNCCN2CCN(c3ccc(OC)cc3)CC2)o1	268775538	GVWVHLGHJYQVGK-UHFFFAOYSA-N	359.470	2.346	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN[C@H]2CCN(C)[C@H]2c2ccccc2)cc1	289360127	IPIKTBXTGBIGTB-UNMCSNQZSA-N	366.509	2.404	10	10	FECE	
COC(=O)c1cncc(C(=O)NCc2cc(Br)ccc2O)c1	804740906	OZNTWMLFQNORRU-UHFFFAOYSA-N	365.183	2.266	10	10	FECE	
O=C1COC[C@H](C[C@H]2CN(C(=O)/C=C\c3cccnc3)c3ccccc32)N1	809245000	GGWCGXQIAWNFLS-IIAQQRLMSA-N	363.417	2.130	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3nnn(C(C)C)c3C)C2)cc1	819591091	OCGLKMZGBHUHSO-OAHLLOKOSA-N	357.458	2.432	10	10	FECE	
C[C@H](NC(=O)N(C)C[C@@H]1CCCN1C)c1ccc(N2CCOCC2)cc1	817156130	GKUGYTFMBGBMMA-LPHOPBHVSA-N	360.502	2.320	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)c1	820052172	KFZLSTYGHRAWCW-MLGOLLRUSA-N	369.421	2.349	10	10	FECE	
COc1cc(Br)cc(CN(CCO)[C@H]2CCO[C@H]2C)c1O	825130484	YWBYGDXRJCEXIK-GWCFXTLKSA-N	360.248	2.135	10	10	FECE	
COc1ccc(O)c(CNC(=O)NC2CCN(C(=O)OC(C)C)CC2)c1	734068705	GQBIXBCPMZXBPD-UHFFFAOYSA-N	365.430	2.209	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@@](O)(C(F)F)C1	837651019	HDYHOXMIEQCRDM-KRWDZBQOSA-N	371.453	2.151	10	10	FECE	
CN(C)Cc1cc([C@]2(NC(=O)OC(C)(C)C)C[C@@H]2C(=O)O)ccc1O	1952950545	LBXJGSNKYAUXIM-FZKQIMNGSA-N	350.415	2.278	10	10	FECE	
COc1ccc(N2CC[C@@H](N3C(=O)N[C@H](c4ccc(O)cc4)C3=O)C2)cc1	849356331	DOXGDQXNQSHYLF-CRAIPNDOSA-N	367.405	2.273	10	10	FECE	
Nc1ccc(NC(=O)C(=O)N2CCCN(c3ccc(F)c(F)c3)CC2)cc1	841125186	DTMINYKDPGKREE-UHFFFAOYSA-N	374.391	2.224	10	10	FECE	
COc1ccc(N2CC[C@@H](N[C@H](c3cccnc3)c3nc[nH]n3)C2)cc1	850485738	BHOGJYIIALOBHT-CRAIPNDOSA-N	350.426	2.166	10	10	FECE	
O=C(NCc1c(O)cccc1F)[C@@H]1CCCN1C(=O)OCC(F)(F)F	928712219	OVFPKQZOLUPFRR-NSHDSACASA-N	364.295	2.311	10	10	FECE	
C[C@@H](NC(=O)NCC1(C2(O)CCOCC2)CC1)c1ccc(N(C)C)cc1	922053925	GMOVBRKNTLKXKF-OAHLLOKOSA-N	361.486	2.435	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H](C)N(C4CC4)C3)C2)cc1	852195839	LCLWUNZPKNTNEA-PMPSAXMXSA-N	358.486	2.198	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1CCC(=O)N(C)C1	859499729	VAWVJRKDVPUGKD-INIZCTEOSA-N	353.422	2.257	10	10	FECE	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@]12CCCC[C@H]1C2	864937539	SXBAOQYXHGIDPP-LPHOPBHVSA-N	362.495	2.118	10	10	FECE	
CC(C)(C)OCCS(=O)(=O)NCc1ccc(N2CCSCC2)cc1	866533836	WGSBBAHWFJCLIG-UHFFFAOYSA-N	372.556	2.474	10	10	FECE	
CC[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CCCOC1	898463610	KFRPTBJGROGBSA-SJLPKXTDSA-N	361.486	2.032	10	10	FECE	
Cc1ccc(C(=O)NC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(O)c1O	1152060467	IMKSFVYKOZKNMM-GFCCVEGCSA-N	363.435	2.343	10	10	FECE	
COc1cccc(O)c1CNC[C@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C1	2116201579	COOVHWNOJYIXCZ-DUVNUKRYSA-N	366.458	2.155	10	10	FECE	
C[C@H](N[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)c1c(O)cccc1O	2121676445	YUHXTOOGVHDTCV-JFILPPLUSA-N	364.442	2.383	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc(S(C)(=O)=O)nc1	1352627317	RQYJTBPYMKTJFH-UHFFFAOYSA-N	373.478	2.358	10	10	FECE	
CC(C)(C)OC(=O)NCc1ncc(NC(=O)c2ccc(O)c(O)c2)cn1	2134932935	LIYHIXOKQDPENF-UHFFFAOYSA-N	360.370	2.165	10	10	FECE	
CCc1nc([C@@H]2C[C@@H](O)CN2Cc2cc(Cl)cc(C(C)=O)c2O)n[nH]1	1473890833	OWMDKTUYMFIGNO-OCCSQVGLSA-N	364.833	2.237	10	10	FECE	
COc1cccc(CNC23COC(CNC(=O)OC(C)(C)C)(C2)C3)c1O	1922601651	UIGKFPQJWSVGMN-UHFFFAOYSA-N	364.442	2.317	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1CCN1CCOCC1(C)C	1543150618	CNIJDAFHZJXGHP-UHFFFAOYSA-N	359.474	2.039	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)[C@H]2COc3ccc(O)cc3O2)cc1	1557355958	KSAQOPISCSOPPX-LJQANCHMSA-N	372.421	2.135	10	10	FECE	
O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NCc1c(O)cccc1O	1639289051	HTPRDFLMAMCQGX-UHFFFAOYSA-N	367.405	2.131	10	10	FECE	
COc1cccc(CNC(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)c1O	1565316931	FIBODSPMZIHAMP-CYBMUJFWSA-N	365.430	2.209	10	10	FECE	
Cn1ccnc1[C@H](O)C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1	1566630099	YFLLZRASEREQQR-OAHLLOKOSA-N	370.413	2.168	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)/C=C2\SCC(=O)N2C)cc1F	1565688360	TXDRJZVQMAJRJO-MFOYZWKCSA-N	351.447	2.335	10	10	FECE	
COc1cccc(CNC(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)c1O	1565316932	FIBODSPMZIHAMP-ZDUSSCGKSA-N	365.430	2.209	10	10	FECE	
CCO[C@H]1C[C@H](O)C12CCN(c1cc(OC)c(OC)cc1[N+](=O)[O-])CC2	1655173629	IPNBHDZJNKAJBL-IRXDYDNUSA-N	366.414	2.368	10	10	FECE	
COCC[C@H]1COCCN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-]	1773581678	LPCHRYBZMHWYAN-YVZNUBBCSA-N	350.371	2.023	10	10	FECE	
O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C\C=C\c2ccccc2)SC1=S	16043844	HHZNREZBHSAEEX-OBBYOJIOSA-N	363.416	2.372	10	10	FECE	
O=C(N[C@H]1COCC[C@H]1NCc1ccc(O)cc1O)OCc1ccccc1	1943953176	QKYDCTBJLJWLFB-MSOLQXFVSA-N	372.421	2.271	10	10	FECE	
C[C@H]1CN(Cc2cc(Cl)cc(Br)c2O)CCS1(=O)=O	708216923	WAHZHUGCSGOZJM-QMMMGPOBSA-N	368.680	2.427	10	10	FECE	
Nc1ccc(CC(=O)N2C[C@H](CNC(=O)C(F)(F)F)C3(CCC3)C2)cc1	2174057843	XKCCSALQDMIASS-ZDUSSCGKSA-N	369.387	2.119	10	10	FECE	
CN(C)c1ccc([C@@H](NN)c2cc(I)sn2)cc1	2056476448	RJZLZDDFXYENDA-GFCCVEGCSA-N	374.251	2.366	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2060634314	YBEVJFNYQXIKMQ-RWMBFGLXSA-N	353.423	2.027	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCN=[N+]=[N-])C[C@H]2COCC[C@@H]21	2060638688	ZTZLTKXTIHXEHB-AGIUHOORSA-N	353.423	2.075	10	10	FECE	
C[C@@H](N=c1[nH]nc(CNC(=O)OC(C)(C)C)o1)c1ccc(O)cc1O	2083272298	OKPPBJSGYJIFMG-SECBINFHSA-N	350.375	2.101	10	10	FECE	
COc1ccc(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)c(CO)c1	2227709177	QSUYXALFYANOAE-OAQYLSRUSA-N	356.466	2.261	10	10	FECE	
C[C@H]1CC[C@@H](S(C)(=O)=O)CN1c1ccc(CN)c(Br)c1	2279344064	OQVMUZGMLJMECB-GXFFZTMASA-N	361.305	2.310	10	10	FECE	
CN(C)c1cccc(NC=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1	2297306408	VMSGYWKBROTNAY-UHFFFAOYSA-N	368.368	2.471	10	10	FECE	
COC(=O)CCN1C(=O)C(=Cc2ccccc2C(=O)O)SC1=S	2314767910	ITAHMEXGBUTVFL-UHFFFAOYSA-N	351.405	2.149	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@H]1CCOCC[C@H]1NC(=O)OC(C)(C)C	2315988036	DBMZLVKDXXWRNW-QWHCGFSZSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)N3CCC[C@H](N=[N+]=[N-])C3)[C@@H]2C1	2331230321	IXMUZEPKDDXUHU-FQUUOJAGSA-N	365.434	2.170	10	10	FECE	
CO[C@@H](CCNC(=O)OC(C)(C)C)C(=O)NCc1ccc(N(C)C)cc1	2341282608	YOLDNVRAFMQWLG-INIZCTEOSA-N	365.474	2.299	10	10	FECE	
CN1CCc2cc([C@@H](CN)N3CCN(C(=O)OC(C)(C)C)[C@@H]4C[C@@H]43)ccc21	2357390317	NAPQJIURUJTNDU-IPMKNSEASA-N	372.513	2.372	10	10	FECE	
C[C@@H](CCN1CCN(C)CC1)N[C@@H](C)c1ccc(N2CCOCC2)cc1	186604083	DIAPNJOYBPJZJV-OALUTQOASA-N	360.546	2.200	10	10	FECE	
CN1CCCc2cc(CNC(=O)Nc3cnn(-c4ncccn4)c3)ccc21	72561785	FICJDGWDRKQNQO-UHFFFAOYSA-N	363.425	2.366	10	10	FECE	
Cc1cc(C(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)c(C)n1-c1ccccc1	180695614	OMYUKSKPMBPWAM-MJGOQNOKSA-N	369.465	2.460	10	10	FECE	
CN(Cc1ccccc1O)C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21	45278411	SSGWWSVOMKRQKK-HNNXBMFYSA-N	360.435	2.452	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)Cc3ccc(N)cc3)cn2)C[C@@H](C)O1	237661356	VPZHDJXCLNHTOS-GASCZTMLSA-N	354.454	2.136	10	10	FECE	
CC[C@@H](C)NC(=O)C1(C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1	242832719	FRIFWLUKPRLOMN-OAHLLOKOSA-N	359.470	2.039	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)N[C@H]1CCN(C2CC2)C1	805183096	CBCGVEIPWGYEIY-LBPRGKRZSA-N	354.248	2.191	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cnc(C2CC2)nc1	294746521	CRZGHBXWOXYNBL-UHFFFAOYSA-N	366.465	2.493	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)C[C@@H]3CCOC[C@@H]3OC)C2)cc1	819590370	KWPTUZOLJOFQCT-GJYPPUQNSA-N	362.470	2.079	10	10	FECE	
Cc1cc(C(=O)COC(=O)[C@H](O)C2CC2)c(C)n1-c1ccc2c(c1)OCO2	730880925	XXYSAEPZXRPMFC-LJQANCHMSA-N	371.389	2.320	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3CC[C@@](O)(C(F)F)C3)CC2)cc1	838191429	VIIJBCLYJGSHDX-SFHVURJKSA-N	369.412	2.076	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)N[C@@H]1CC[C@H]2CNC[C@H]2C1	842016228	TUXGFTOXADDHMK-MISXGVKJSA-N	368.275	2.342	10	10	FECE	
CCOC(=O)[C@H](CC1(OC)CCC1)NC(=O)c1ccc(C)c(O)c1O	846513625	ALLBVNGMLJTIGM-ZDUSSCGKSA-N	351.399	2.027	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)CO[C@@H](C)c2nccn2C)cc1	844857397	VULAIWMUDXYDRS-HNNXBMFYSA-N	360.458	2.101	10	10	FECE	
Cc1cc(CCNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)nn1C	914400724	SAIDMQSDYMEMBR-INIZCTEOSA-N	371.485	2.168	10	10	FECE	
COc1ccc(CNC(=O)CCc2cc(OC)c(O)c(OC)c2)c(O)c1	846950241	KZYYUOUURJDJHN-UHFFFAOYSA-N	361.394	2.373	10	10	FECE	
COC(=O)[C@@H]1CSCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1	840978935	XPTGSPRTLYPGKO-JTQLQIEISA-N	360.819	2.292	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)[C@@]23C[C@H]4C[C@@H](C(=O)N2)[C@H]3C4)cc1	844304600	LLPSAKFJPYCCDD-VZRKHXGSSA-N	355.482	2.406	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)NC(=O)c3ccccc3)C2)cc1	855228747	FTXABQCHIXDMJK-DOTOQJQBSA-N	367.449	2.209	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3C[C@H]4CC[C@@H](C4)C3)cc2)C1	853464915	XYAREDZQXBWKSC-BZSNNMDCSA-N	370.497	2.330	10	10	FECE	
CCOC(=O)[C@@]1(F)CN(Cc2cc3c(cc2O)OC[C@H]3O)CC12CCC2	853523988	JPBNVNMYFQQWBQ-BEFAXECRSA-N	365.401	2.075	10	10	FECE	
COc1ccc(N2CC[C@@H](NCc3cn(Cc4cccnc4)nn3)C2)cc1	850347414	RWSATNNUPACFCI-QGZVFWFLSA-N	364.453	2.099	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1c(C)nn(C)c1C	754480899	BQTYXGZZXFGWLY-UHFFFAOYSA-N	357.458	2.090	10	10	FECE	
Cn1[nH]c(CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)nc1=O	758367664	JNXBROSEUFYYEZ-CQSZACIVSA-N	371.466	2.443	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3CCC[C@@H]4C[C@@]43C(=O)O)C2)cc1	929016406	WUGRYJSWBNYFBW-SXGZJXTBSA-N	373.453	2.170	10	10	FECE	
COc1ccc(O)c(CNS(=O)(=O)C[C@@H](OC)c2ccc(F)cc2)c1	859008972	WPXSSRUWLCZZJI-QGZVFWFLSA-N	369.414	2.347	10	10	FECE	
COCc1cc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)ncn1	930429680	QGAYTXZOKRJPAE-QGZVFWFLSA-N	372.473	2.113	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCCNc3ccccn3)C2)cc1	852453102	GFSULHDTJLKFJG-HNNXBMFYSA-N	355.442	2.080	10	10	FECE	
C[C@H](NC(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1)c1ccc(N(C)C)cc1	854005102	ZWEOKZGPODOHSV-KCQAQPDRSA-N	353.488	2.079	10	10	FECE	
C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1ccc3cccnc3c1O)CS2	862028636	GKHKIYWEHJSHHZ-SCLBCKFNSA-N	357.435	2.011	10	10	FECE	
COC(=O)[C@@]1(OC)CCN(Cc2cc(Br)cc(C)c2O)C1	862475517	NJRXQWQFDFJIRH-OAHLLOKOSA-N	358.232	2.227	10	10	FECE	
C[C@@H](NC(=O)c1cnc2c(c1)NC(=O)CN2C)c1ccc(N(C)C)cc1	860951057	XNVLQIYRIJBFFY-GFCCVEGCSA-N	353.426	2.027	10	10	FECE	
Cc1cc(C(=O)NC[C@@H](C)S(N)(=O)=O)c(C)n1-c1cccc(Cl)c1	770453065	VDDXYLOKXFSGLL-LLVKDONJSA-N	369.874	2.154	10	10	FECE	
CNC(=O)C[C@H](NC(=O)NCc1cc(OC)ccc1O)c1ccccc1	797458572	POZFMTHDFQVVQF-INIZCTEOSA-N	357.410	2.077	10	10	FECE	
Cc1cccc(N2CCN(CCC(=O)NCc3cc(O)ccc3O)CC2)c1	1153885887	RGTKVGWGMFSBLN-UHFFFAOYSA-N	369.465	2.235	10	10	FECE	
Cc1nn(CCO)c(C)c1CNCc1cc(Br)ccc1O	1324013726	FAVDYOYXGGKCAW-UHFFFAOYSA-N	354.248	2.250	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H]1N(C(=O)COc1ccc(N)cc1)C2	2127640066	VAYZWNGWBPHEIX-XGWLTEMNSA-N	361.442	2.162	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)CN1CC(NC(=O)OC(C)(C)C)C1	2124174016	CAKMCKSJPHWUCO-CYBMUJFWSA-N	363.458	2.121	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H](CN=[N+]=[N-])C1)[C@H]1CCOC1	2124514858	ZNOBXTQVZDJKQO-RDBSUJKOSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](O)(C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)C1	2126933599	OQWVFQCIPRRUEN-GUYCJALGSA-N	367.450	2.297	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)Nc3ccc(N)cc3)CO[C@H]2C1	2121653975	OFVOWDZKEQDSOQ-KKUMJFAQSA-N	362.430	2.025	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)COc1ccc(N)cc1	1905376888	IHLNDKKVCZUSEK-DAXOMENPSA-N	361.442	2.019	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3[C@H]4CCCO[C@H]43)cc2F)C[C@@H](C)O1	1264689612	YMWWKHPHRZSKCM-IXNSMNPASA-N	362.445	2.481	10	10	FECE	
C[C@@H](NCc1ccc2c(c1)CCCO2)C1(O)CN(C(=O)OC(C)(C)C)C1	1918712583	WWLFKWBPNFUFKI-CQSZACIVSA-N	362.470	2.472	10	10	FECE	
C[C@@H](NCc1cccc(O)c1O)C1(O)CCN(C(=O)OC(C)(C)C)CC1	1918979479	YAXWUJXXBYJFBQ-CYBMUJFWSA-N	366.458	2.338	10	10	FECE	
CN(C(=O)OC(C)(C)C)C1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1	1293135963	UIJWRFQCTZNOQW-UHFFFAOYSA-N	364.442	2.498	10	10	FECE	
CC1=NNC(=O)[C@@H]1CCNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C	1464889328	MSVSENJRPLQARR-MRXNPFEDSA-N	366.421	2.148	10	10	FECE	
CC(=O)NCCCn1c(C2CCC2)nnc1N(C)Cc1ccccc1O	1541092262	PPCWUWWYIYRSPD-UHFFFAOYSA-N	357.458	2.414	10	10	FECE	
Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)NCc1cccc(O)c1O	1633515942	XMXKPXMZBQKFGE-UHFFFAOYSA-N	362.386	2.108	10	10	FECE	
CC(C)(C)OC(=O)CC1(C(=O)NCc2cccc(O)c2O)CCOCC1	1644711172	VISPGIUQVWXCSL-UHFFFAOYSA-N	365.426	2.243	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)NN3C(=O)[C@H](C)N(C)C3=O)c2C)c1	1585138863	VTHWZJNGKLZPJT-AWEZNQCLSA-N	354.410	2.330	10	10	FECE	
CN(C)c1ccc([C@H](CNS(C)(=O)=O)N2CCc3ccccc32)cc1	5099179	OVMXIGUHVQZYEH-IBGZPJMESA-N	359.495	2.406	10	10	FECE	
CCS(=O)(=O)c1ccc(O)c(N=c2cc(C)c3c(C)nn(C)c3[nH]2)c1	1859832409	RQEZWZYJECHIDF-UHFFFAOYSA-N	360.439	2.250	10	10	FECE	
COc1ccc(Br)c(CN(C)[C@@H](C)C[S@](C)=O)c1O	1964620774	ZYDULFZZICMHQJ-UGZDLDLSSA-N	350.278	2.362	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1cnn(C)c1	1968857750	RLOAUCNORPGPOS-INIZCTEOSA-N	374.441	2.350	10	10	FECE	
Nc1ccc(O)c(CNS(=O)(=O)c2ccccc2Br)c1	36742781	DOCDWIALOTWOJG-UHFFFAOYSA-N	357.229	2.215	10	10	FECE	
CCS(=O)(=O)[C@H]1CCN(c2ccc([C@@H](C)N)cc2Br)C1	2179894262	PTYJNTWPJYCQRV-PWSUYJOCSA-N	361.305	2.482	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCCCCN=[N+]=[N-]	2060610385	HGGBNJINTFVVDX-LBPRGKRZSA-N	351.411	2.052	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)N2CC[C@@H](N=[N+]=[N-])C2)CN(C(=O)OC(C)(C)C)C1	2060632889	HASYNMQCGHAUEX-YNEHKIRRSA-N	353.423	2.170	10	10	FECE	
C[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)c1c(O)cccc1O	2069356494	PXZDOFQBIHHVNB-LALPHHSUSA-N	352.431	2.119	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](NC(=O)CCOc1ccc(N)cc1)C1CC1	2106230071	OMUGMDAYQXJMAG-MRXNPFEDSA-N	363.458	2.457	10	10	FECE	
CN[C@@H](c1ccc2c(c1)CCN2C)[C@@H](NC(=O)OC(C)(C)C)C1COC1	2106856507	ZVFBNBJLUQZGTJ-ROUUACIJSA-N	361.486	2.479	10	10	FECE	
CC(C)(C)OC(=O)NCCOCCOCCNCc1cc(F)ccc1O	2225558581	ZSEYBRXGZRSXNK-UHFFFAOYSA-N	372.437	2.179	10	10	FECE	
Cc1ccc(O)c(CNCCn2cc(CNC(=O)OC(C)(C)C)nn2)c1	2271501991	UPIWSDXMHCDNCN-UHFFFAOYSA-N	361.446	2.107	10	10	FECE	
CN(C)CC=CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	2297717191	UJPHIFNDKNYODT-AWEZNQCLSA-N	353.413	2.491	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CCO[C@H]2C[C@@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2331228040	GFUNHQIYNZQKEU-FQUUOJAGSA-N	365.434	2.455	10	10	FECE	
CC(C)(C)OC(=O)N1CC(OC(=O)N2CCc3cc(O)c(O)cc3C2)C1	2341201792	QLWUAPOYZZJKNQ-UHFFFAOYSA-N	364.398	2.212	10	10	FECE	
CN1CCc2cc([C@H](N)[C@@]3(O)CCN(C(=O)OC(C)(C)C)[C@@H]4C[C@@H]43)ccc21	2355669402	LPQVBEGHUATCIG-CQSHLORDSA-N	373.497	2.439	10	10	FECE	
CC[C@@H](C)N/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	103763944	SNOHFXDQKPFPAI-YXYQAXARSA-N	366.215	2.304	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC[C@H]2c2nncn2C)c([N+](=O)[O-])c1	301970177	RDSOVUTZHNOIDY-OWNNVSBGSA-N	357.370	2.251	10	10	FECE	
COc1ccc(N2CCN(Cc3nc4ccccc4[nH]c3=O)CC2)cc1	33140477	DHXYFVQLKLYFTR-UHFFFAOYSA-N	350.422	2.254	10	10	FECE	
COCCN1C(=O)N=C(O)/C(=C/c2ccc(Br)cc2)C1=O	35145345	OVDJUOHVBGJAJZ-FLIBITNWSA-N	353.172	2.398	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[C@H]1C(=O)OC	75417057	GZXYQKBWMZTMRJ-NWDGAFQWSA-N	356.216	2.312	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCC[C@@H](N(C)CC(=O)O)CC2)c1O	192001973	VFLDCNBTMVWZEF-OAHLLOKOSA-N	352.406	2.105	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]12C[C@@H]2C(=O)N1CCc2cc(O)c(O)cc2C1	2366906803	WIEIKUXMVYHQDG-OWDMVUQNSA-N	374.437	2.286	10	10	FECE	
COCc1csc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)n1	806840148	NGEUZEDBXUKIOZ-UHFFFAOYSA-N	374.466	2.145	10	10	FECE	
Cc1cc(CC(=O)NCCC(=O)N2CCOCC2)c(C)n1-c1ccccc1	820945952	IRXSEWODIPTYKJ-UHFFFAOYSA-N	369.465	2.002	10	10	FECE	
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(O)c(O)c(O)c1	2132413363	MOCZSWPBGGUDJB-ZYHUDNBSSA-N	366.414	2.179	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCC[C@H](C(=O)N3CCOCC3)C2)cc1	835025159	GIJXJASUJRMHRW-JUGMSXHOSA-N	357.498	2.337	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3C4CCC3(C(=O)O)CC4)C2)cc1	909133567	GOLFWVAYQUBHGJ-PCVOSPCESA-N	373.453	2.313	10	10	FECE	
Cc1cc(C)c(CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c(O)n1	912709201	CKQGBBXLOPIWRE-UHFFFAOYSA-N	369.465	2.224	10	10	FECE	
C[C@@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccnc1	746147516	PJAHCOYBHQTTKG-QAPCUYQASA-N	366.465	2.203	10	10	FECE	
CCCc1cc(N2CCN(c3ccc(OC)cc3)CC2)n2ncnc2n1	918184532	HPVMYQQZJOSHBC-UHFFFAOYSA-N	352.442	2.412	10	10	FECE	
CCN(CC)c1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1	845823165	CYLNSEMRFRLZAE-UHFFFAOYSA-N	364.427	2.315	10	10	FECE	
CN(C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1ccc(C(C)(C)C)cc1	918685737	TYTZYKUUBMOHAS-KPKJPENVSA-N	355.438	2.058	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2cncc3ncn(C)c23)cc1	869142994	SPYHNWBMXALDBS-UHFFFAOYSA-N	353.426	2.185	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)/C=C\COC2CCOCC2)cc1	869142762	MLHJIALAHGQPKL-PLNGDYQASA-N	362.470	2.342	10	10	FECE	
COC(=O)Cc1ccc(CNCc2ccc([N+](=O)[O-])c(OC)c2O)cc1	862446273	BJJJHEFCCNEUOL-UHFFFAOYSA-N	360.366	2.314	10	10	FECE	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@]12CCCC[C@@H]1C2	864937541	SXBAOQYXHGIDPP-VQIMIIECSA-N	362.495	2.118	10	10	FECE	
CCNC(=O)c1ccc(NCc2cccc(Br)c2O)nn1	764934221	KHFQFWRIGCCJPS-UHFFFAOYSA-N	351.204	2.307	10	10	FECE	
COc1cc(NC(=O)NCc2cccc(Br)c2O)nn1C	765350300	VROAGABQUJPIHV-UHFFFAOYSA-N	355.192	2.219	10	10	FECE	
C[C@@H](NC(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1O	1877573236	ISIDHILMRUPHSB-CYBMUJFWSA-N	364.442	2.331	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(NS(C)(=O)=O)c1	1140198665	NIOVYJAAMQHISQ-UHFFFAOYSA-N	369.439	2.179	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)COc1ccc([N+](=O)[O-])cc1	1157102709	PTNSWTCSDQVJOP-UHFFFAOYSA-N	351.355	2.481	10	10	FECE	
CC(C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@]1(O)CCO[C@@H]1C	1302579489	OWZGWSZAQJASIL-KUHUBIRLSA-N	360.458	2.283	10	10	FECE	
O=C(NCC[C@@H]1CC[C@H]2C[C@H]12)C(=O)NCc1ccc(N2CC=CC2)cc1	1332901172	CXRBRLZJYAKUAB-JENIJYKNSA-N	353.466	2.231	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@]34C[C@H]3COC4(C)C)CC2)c(OC)c1	1287483930	ABILCSSCPFWXLQ-XOBRGWDASA-N	360.454	2.168	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)C(=O)c1ccc(Br)s1	1294909664	UXUCQZMQJKXHDS-UHFFFAOYSA-N	370.224	2.463	10	10	FECE	
C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO)c1ccc(O)cc1O	2116265169	JPLPTYWJJQQCBS-WOSRLPQWSA-N	366.458	2.366	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(-c2cccn2C)n1CC1(O)CC1	1298363994	QLZCHTXCXLDSCH-UHFFFAOYSA-N	353.426	2.151	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1coc2c1C(=O)NCC(C)(C)C2	1556157589	FVKVHJGYKYKBOO-NSHDSACASA-N	372.421	2.364	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)/C=C2/SCC(=O)N2C)cc1F	1565688361	TXDRJZVQMAJRJO-RQZCQDPDSA-N	351.447	2.335	10	10	FECE	
CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](C)c1ccccc1O	1635798964	KFBYFJMFFZOIQZ-CZUORRHYSA-N	358.442	2.066	10	10	FECE	
O=C(c1cc2n(n1)CCC[C@H]2O)N(Cc1ccccc1O)C[C@H]1CCCO1	1636950636	FIJJNKZJYNLZIP-DNVCBOLYSA-N	371.437	2.237	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@@H]1CCCN1C(=O)Nc1ccccc1	1643882194	PYZGLKWPOVRNTL-INIZCTEOSA-N	355.394	2.411	10	10	FECE	
CCCCCCN1C(=O)NC(=O)/C(=C\c2ccccc2OCC(=O)O)C1=O	2288616	PACWITHATJNNSY-SDNWHVSQSA-N	374.393	2.192	10	10	FECE	
CN(CCNC(=O)OC(C)(C)C)CC(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2124541774	WIOFLHXFGUFCJQ-CQSZACIVSA-N	368.482	2.382	10	10	FECE	
CC(C)[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCO1	1685681956	OKXHBIUODVKIIO-MOPGFXCFSA-N	362.518	2.422	10	10	FECE	
O[C@@H](CN1CCOCC1)CN1CCCc2cc(OC(F)(F)F)ccc21	157584089	XNVJHYXFTRCYOW-AWEZNQCLSA-N	360.376	2.031	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(Cc2ccc(O)c(O)c2)C1	2136388001	OYNGIAPXLVJBON-QWHCGFSZSA-N	366.414	2.040	10	10	FECE	
COc1cc(C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc(O)c1O	1951518750	RIORWVWPBIKSOW-CYBMUJFWSA-N	361.350	2.029	10	10	FECE	
C[C@@H](C[S@](C)(=O)=NCc1cc(N)ccc1O)NC(=O)OC(C)(C)C	1999485801	WFKOKVUPJLVDOD-BUBHHJDNSA-N	357.476	2.485	10	10	FECE	
CN[C@H](c1ccc(N(C)C)cc1)C1(O)CN(C(=O)OCc2ccccc2)C1	2001960679	CWKIFNKKNPUGJD-LJQANCHMSA-N	369.465	2.397	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[C@H]2NCc2ccc(O)c(O)c2O)C1	2033980733	BZYBLNFFRRKCGE-YNEHKIRRSA-N	350.415	2.148	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@H]1CCO2	2060614633	FJLRPRSEBXCFFH-MLGOLLRUSA-N	353.423	2.171	10	10	FECE	
C[C@@H]1CN(CCC(=O)Nc2ccc(N)cc2)C[C@@H]1NC(=O)OC(C)(C)C	2106661270	BPOXOGPXMQCNQE-CJNGLKHVSA-N	362.474	2.442	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(CNCc2ccc(O)cc2O)C1	2229487924	XLGYFEQYZOZPNF-AUUYWEPGSA-N	364.442	2.213	10	10	FECE	
CCc1ccc(C=C2SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)cc1	2293039479	BGFCVKUXYZMECY-LLVKDONJSA-N	365.432	2.378	10	10	FECE	
Cc1ccc(N2NC(=O)C(=Cc3ccc(N4CCOCC4)cc3)C2=O)cc1	2297321448	SKBMGWQTVKZKKL-UHFFFAOYSA-N	363.417	2.293	10	10	FECE	
CCn1nccc1C=CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	2303635179	KZHJTQZSHAOBIQ-UHFFFAOYSA-N	372.444	2.333	10	10	FECE	
CCc1ccc(C=C2SC(=S)N([C@H](C(=O)O)[C@@H](C)O)C2=O)cc1	2323823923	YDCVDAVVJARLBD-RNCFNFMXSA-N	351.449	2.284	10	10	FECE	
CC[C@@](CNC(=O)OC(C)(C)C)(NCc1ccc2c(c1)CCO2)C(=O)O	2351449965	MGPGUVHEBUMUQW-IBGZPJMESA-N	364.442	2.469	10	10	FECE	
CCCN[C@H](c1ccccc1O)[C@@H](O)[C@@H](CNC(=O)OC(C)(C)C)OC	2352119293	HKJOBLUFZRQLPL-ZACQAIPSSA-N	368.474	2.334	10	10	FECE	
CN(C)CCCNC(=O)CN1CCCc2cc(OC(F)(F)F)ccc21	178999973	BKPRELROMBTNDM-UHFFFAOYSA-N	359.392	2.406	10	10	FECE	
C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc2c(c1)OCCO2	102682348	ROICNIVJSJKDED-HNNXBMFYSA-N	369.465	2.491	10	10	FECE	
CCOC(=O)CCN(C=C1C(=O)OC(C)(C)OC1=O)Cc1ccccc1	36565006	GXCKYZZWJUUFRY-UHFFFAOYSA-N	361.394	2.162	10	10	FECE	
NC(=O)c1c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])sc2c1CCC2	40945587	PTIOIQSWJFBGKF-UHFFFAOYSA-N	367.408	2.045	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CCCn4ccnc43)CC2)cc1F	84815677	BIQQUSHKGLFAQO-OAHLLOKOSA-N	358.417	2.257	10	10	FECE	
Cc1cc(NC(=O)CN(C)C(=O)c2c(C)oc(-n3cccc3)c2C#N)no1	198826283	SHVOHARQIXXMDO-UHFFFAOYSA-N	367.365	2.258	10	10	FECE	
CN1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)Cc2ccccc21	378160564	UPXRIMIAWZDSAI-UHFFFAOYSA-N	354.366	2.382	10	10	FECE	
C[C@H](NCc1c(I)cnn1C)c1c(O)cccc1O	2133346292	FHFFBSNYVFGSOP-QMMMGPOBSA-N	373.194	2.287	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)[C@@H](O)C3CCC3)cc2F)C[C@@H](C)O1	825359251	KJGKSWFLQHOHKO-VFVRVIDISA-N	350.434	2.217	10	10	FECE	
COc1ccc(N2CCC(NS(=O)(=O)c3cnccc3C)CC2)cc1	830351983	FWKVXZXCYZYTQM-UHFFFAOYSA-N	361.467	2.346	10	10	FECE	
Cc1cc(CC(=O)N2CCN3C(=O)OC[C@@H]3C2)c(C)n1-c1ccccc1	830362688	PMFWDXDSWXTXBZ-SFHVURJKSA-N	353.422	2.300	10	10	FECE	
COC(=O)c1cnc(SC[C@@H](O)COc2ccc3c(c2)OCO3)s1	834382123	CTFWJLROLYWDLR-VIFPVBQESA-N	369.420	2.190	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCn2cnc(C(F)(F)F)c2C1	915476720	FKLUBDRTHQURTP-RQOWECAXSA-N	353.300	2.369	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@]12C[C@@H]1COC2(C)C	849926069	AJEQRJJWKCGMKO-FOIQADDNSA-N	360.454	2.069	10	10	FECE	
Fc1cc(CNc2cccnn2)ccc1N1CCN(c2ncccn2)CC1	742395923	DPZWRKYRTMYZTR-UHFFFAOYSA-N	365.416	2.344	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CC[C@H](CN3CCCC3=O)C2)c([N+](=O)[O-])c1	853946158	ORFPYSDPONYFOR-ZKKXHLJNSA-N	373.409	2.230	10	10	FECE	
COc1ccc(N2CCN(CCCN[C@H]3C[C@H]4CC[C@@H](N4)[C@@H]3C)CC2)cc1	925518846	KZNJJPJBTJKYGV-KKXYHZGYSA-N	372.557	2.326	10	10	FECE	
CN1CCc2cc(/C=C/c3nc(O)c4cnn(-c5ncccn5)c4n3)ccc21	751535929	NRELBLDXRVGNGD-GQCTYLIASA-N	371.404	2.474	10	10	FECE	
CCOc1ccc(CN2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c(O)c1	856534552	SYUJNLUFYVFVRE-DLBZAZTESA-N	355.438	2.141	10	10	FECE	
COC[C@H](NC(=O)N[C@H](C)c1cc(OC)ccc1O)C1CCOCC1	852468750	SXCRTHZJAQBBNI-WBMJQRKESA-N	352.431	2.203	10	10	FECE	
COc1ccc(N2CCN(CCNc3ccc([C@H](C)O)cn3)CC2)cc1	865475537	CSNQLEBOTCJLIZ-INIZCTEOSA-N	356.470	2.378	10	10	FECE	
C[C@H]1C[C@H]1c1noc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n1	865894488	MVBYFAWOINCOTK-XJKSGUPXSA-N	356.426	2.302	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)CC[C@@H]3CC[C@H](C(N)=O)O3)cc2)CC1	865604436	WHNJGTPYGAPLJB-RBUKOAKNSA-N	373.497	2.352	10	10	FECE	
O=C1Nc2ccccc2S(=O)(=O)N1Cc1ccc(N2CCOCC2)cc1	877889486	KGIBICWIXYBFDU-UHFFFAOYSA-N	373.434	2.260	10	10	FECE	
O=C(NC[C@@H]1CCCCS1(=O)=O)c1cc2cc(O)c(O)cc2s1	1137781348	GRPWELXBOHXTAU-JTQLQIEISA-N	355.437	2.010	10	10	FECE	
CCOC[C@H](C)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	1323263322	GNIWSCVGIKGHNC-INIZCTEOSA-N	361.486	2.080	10	10	FECE	
Cc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1Cc1ccc2c(c1)CCCN2C	1511910015	JFOZWBMQJFFZNP-KUHUBIRLSA-N	355.486	2.224	10	10	FECE	
CN1CCc2cc(CNCC3(CNC(=O)OC(C)(C)C)COC3)ccc21	2120317106	HBNFVTPJYGWKMI-UHFFFAOYSA-N	361.486	2.310	10	10	FECE	
COC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)/C=C\c1cnccc1C	1544609383	JSDWDRRMRQCZOX-XQRVVYSFSA-N	351.362	2.175	10	10	FECE	
CC(C)c1oncc1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	1625270450	DAWRSRPMFORCMR-HNNXBMFYSA-N	370.453	2.430	10	10	FECE	
O=C(NCc1c(O)cccc1F)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1	1635366602	DMJDXUOTUQYOQR-UHFFFAOYSA-N	371.328	2.009	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H](C)c1nnc(O)n1C	1643993903	CGHJCACADHGTFW-LBPRGKRZSA-N	367.409	2.232	10	10	FECE	
COc1ccc(CNC/C=C\CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1C	1668942826	VHQMDDAFFBSDFO-IMGCSYQISA-N	356.466	2.189	10	10	FECE	
CCN(C)[C@@H]1CCN(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)C1	1683504344	QZENXEVZUKRQQV-SJLPKXTDSA-N	360.502	2.257	10	10	FECE	
C[C@H](C(=O)O)[C@@H](C)C(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C	1866262716	ZDLHMFWMIAUEEM-WWGRRREGSA-N	358.442	2.049	10	10	FECE	
C[C@@H](N[C@H]1COCCN(C(=O)OC(C)(C)C)C1)c1ccc(O)cc1O	2034723339	PGDPZZBRVVGJGB-CHWSQXEVSA-N	352.431	2.384	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNCc1cc(F)ccc1O	394396707	DSQGLTZQXRWFLI-OAHLLOKOSA-N	353.438	2.172	10	10	FECE	
C[C@H]1[C@@H](C)S(=O)(=O)CCN1c1ccc([C@@H](C)N)c(Br)c1	2170273549	IHKOAJUCHQPGPL-OUAUKWLOSA-N	361.305	2.481	10	10	FECE	
C[C@@H](N)c1ccc(N2CCS(=O)(=O)C(C)(C)C2)c(Br)c1	2170281367	YECQVUOJFGOLFZ-SNVBAGLBSA-N	361.305	2.482	10	10	FECE	
CC(C)(C)OC(=O)NOCCCNC(=O)CCOc1ccc(N)cc1	2044226661	MFUPPNPHJPNBPZ-UHFFFAOYSA-N	353.419	2.000	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(F)ccc2O)[C@@H](CO)C1	2052710911	FZKMQCFFQVQDBD-HIFRSBDPSA-N	354.422	2.239	10	10	FECE	
C[C@H](O)[C@@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S	2323827318	TUBVRSSLFPCFRC-KGFZYKRKSA-N	373.839	2.081	10	10	FECE	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCCN(c3ncccn3)C2)cc1F	109453675	KAUVRKHOJNXYRE-OAHLLOKOSA-N	372.448	2.150	10	10	FECE	
COc1ccc(N2CCN([C@@H](C)C(=O)Nc3cc(C)on3)CC2)cc1F	177712401	FYHCVDRXYFZFPE-ZDUSSCGKSA-N	362.405	2.280	10	10	FECE	
COc1ccc(C(=O)Nc2cc(N3CCN(C=O)CC3)ccc2OC)cc1	62160212	PPFGKJQNCPECKM-UHFFFAOYSA-N	369.421	2.235	10	10	FECE	
CCc1c(C(=O)N2CCOc3cc(N(C)C)ccc32)[nH]c(C)c1C(N)=O	126455928	GSIZQZSIHWTXCJ-UHFFFAOYSA-N	356.426	2.090	10	10	FECE	
C[C@@H](NCc1cccc([C@]2(C)NC(=O)NC2=O)c1)c1cc(F)ccc1O	185294648	XWJGGFOTXYRNRR-WYRIXSBYSA-N	357.385	2.437	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCc2[nH]ncc21	133175975	ORJPVARYAJDDGM-AWEZNQCLSA-N	358.417	2.122	10	10	FECE	
NC(=O)c1cc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)ccn1	132983466	NATUMDBUUUOOQV-UHFFFAOYSA-N	365.481	2.325	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@@H](N4CCCC4)CC3)cc2N1	130851821	JVBIOHWFAPCMNG-CYBMUJFWSA-N	360.414	2.380	10	10	FECE	
CSc1cc(N)c2c(c1N)C(=O)c1c(N)cc(SC)c(N)c1C2=O	149920755	SMRBBCOGTRKFMA-UHFFFAOYSA-N	360.464	2.235	10	10	FECE	
CN(C)c1ccc(CN(C(=O)CNC(=O)c2cccnc2)C2CC2)cc1	268786068	ZUZZUJPWQKVJJC-UHFFFAOYSA-N	352.438	2.069	10	10	FECE	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2cnn(C)n2)cc1	807568306	QRLVMYNNFFLZCD-UHFFFAOYSA-N	368.441	2.386	10	10	FECE	
CCN(CC)c1ccc(CN[C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc1	800308813	AWBBYPPSGRVUTF-FUHWJXTLSA-N	353.532	2.340	10	10	FECE	
CCOC(=O)C(=O)[C@@H](N)c1c(C(F)(F)F)ccc(Br)c1O	725275219	LGCTWPOHQSKGFD-QMMMGPOBSA-N	370.121	2.306	10	10	FECE	
CN1CCCc2cc(CNS(=O)(=O)CCOCC3CCC3)ccc21	827071510	GNZGZIXDOXVGHU-UHFFFAOYSA-N	352.500	2.305	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCc2cc(Cl)nnc2C1	829116590	SUBLRPVFNBVKML-UHFFFAOYSA-N	373.888	2.213	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3CCOC3(C)C)CC2)cc1F	836552840	SETMUSXOQJFOGO-MRXNPFEDSA-N	351.422	2.233	10	10	FECE	
COc1ccc(N2CCCN(C(=O)/C=C(/C)CN3CCOCC3)CC2)cc1	900294883	ZZHKFFTUOJMRRR-VLGSPTGOSA-N	373.497	2.012	10	10	FECE	
O=C(O)c1nc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cs1	911095187	ABIINWVVKYODHQ-LBPRGKRZSA-N	362.407	2.368	10	10	FECE	
C[C@H](CCO)N(C)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	845085628	HMKFKGZCTNREER-QGZVFWFLSA-N	374.529	2.131	10	10	FECE	
COC1CCN(c2ccc(CN3C[C@@H](OC)C[C@@H]3CC(=O)O)cc2)CC1	846286757	YNXLIUZAFIHFAJ-MJGOQNOKSA-N	362.470	2.366	10	10	FECE	
Cn1cc(COC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)cn1	913223655	BQDDVRUSPLBMBX-UHFFFAOYSA-N	361.357	2.135	10	10	FECE	
C[C@@H]1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C[C@H]1C(=O)O	849366163	OACZDFQVMBSXQL-BXUZGUMPSA-N	359.451	2.499	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cn2c(n1)CCC2	843848487	XYSUAPSJKBYNMA-UHFFFAOYSA-N	363.801	2.004	10	10	FECE	
CC(C)(C)OCCCN1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	921845839	BDVRGMBYCVPFQX-VURMDHGXSA-N	362.470	2.460	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CNC(=O)CCC3CCCC3)C2)cc1	855229373	JKHQKBDJDISPLV-KRWDZBQOSA-N	373.497	2.477	10	10	FECE	
C[C@@H]1CCCCN1CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	851978083	HFXKZWDSPBVXGH-QGZVFWFLSA-N	374.529	2.321	10	10	FECE	
CN1CC[C@@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1(C)C	858104348	HIDQSLVMHPRYJZ-ZWKOTPCHSA-N	358.530	2.351	10	10	FECE	
CO[C@H](CS(=O)(=O)NNc1nc2cccnc2s1)C1CCCC1	857224933	AGXDMOYWODIUMJ-GFCCVEGCSA-N	356.473	2.143	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3CO[C@H](C4CC4)C3)C2)cc1	858552903	XBYHXNYBNIMAAY-OGWOLHLISA-N	359.470	2.388	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)C(=O)NCCCSc2nccs2)CCS1	930196884	BDKHTDACUMDJAD-GHMZBOCLSA-N	359.542	2.142	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCCc1ncn(C)n1	862094957	FSXSWYXKCIITRT-UHFFFAOYSA-N	365.437	2.398	10	10	FECE	
COc1ccc(N2CC[C@H](N3C(=O)N[C@H](C[C@@H]4CCCOC4)C3=O)C2)cc1	863512903	SDCYLPRISMTQFP-QILLFSRXSA-N	373.453	2.011	10	10	FECE	
COC(=O)c1ccc2c(c1)CN(c1cc3c(cc1[N+](=O)[O-])OCC(=O)N3)C2	761893082	BHQTVOFWUHQAMK-UHFFFAOYSA-N	369.333	2.233	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]3[C@H]3C[C@H]34)cc2)C1	864954907	ZNYTWQPKUNQHLQ-PDURBABISA-N	367.493	2.297	10	10	FECE	
COc1cncc(N2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)c1	931209906	BFJQFVMIYGBTFY-UHFFFAOYSA-N	368.481	2.249	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1C[C@]1(C)Br	862039883	SGYFGVZLWAUKGF-WBMJQRKESA-N	370.243	2.457	10	10	FECE	
COC(=O)COc1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1	761622263	FQLPIRQQHMGZKG-UHFFFAOYSA-N	360.366	2.014	10	10	FECE	
Cc1cc(CC(=O)N[C@H](CO)c2cncn2C)c(C)n1-c1ccccc1	898896682	QUMOQYMHWKSURB-GOSISDBHSA-N	352.438	2.220	10	10	FECE	
O=C(COC(=O)c1ccnc(O)c1Br)c1ccc(O)c(O)c1	785031255	HSVSAHFNFXYJIU-UHFFFAOYSA-N	368.139	2.001	10	10	FECE	
CCn1nccc1CN(CCO)Cc1cc(Cl)cc(C(C)=O)c1O	796469352	TUGWSMYQXNQHBS-UHFFFAOYSA-N	351.834	2.459	10	10	FECE	
CCCCN(C)S(=O)(=O)NCc1cc(Br)ccc1O	796192265	WCCLHBMEMROUCN-UHFFFAOYSA-N	351.266	2.221	10	10	FECE	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CN(C)CCCO)c2C)cc1	799365093	SZZHYCUQZLNZNP-UHFFFAOYSA-N	358.438	2.378	10	10	FECE	
Oc1cc2c(cc1CN1CCO[C@H](COc3ccccc3)C1)[C@@H](O)CO2	790467609	QGDDVAYRPJINFW-LPHOPBHVSA-N	357.406	2.098	10	10	FECE	
COC(=O)c1cc(OCc2cc(=O)n3ccc(C)cc3n2)ccc1N(C)C	1166713312	DXPDOGHVGQAOIG-UHFFFAOYSA-N	367.405	2.435	10	10	FECE	
COc1ccc(CN[C@H](CC2(OC)CCC2)C(=O)O)cc1Cn1cccn1	1329631139	BABHXVGBRVKSEM-QGZVFWFLSA-N	373.453	2.442	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNCc1ccc(O)c(O)c1O	723833001	VHMFWODUXUGVQR-WCQYABFASA-N	352.431	2.396	10	10	FECE	
O=C(NCC[C@@H]1CC[C@H]2C[C@@H]12)C(=O)NCc1ccc(N2CCCC2)cc1	1334573280	HSDJINVFXXZDNM-LNLFQRSKSA-N	355.482	2.455	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H]3[C@H]3CCCOC3)C2)cc1	1346506830	MUHHTOHTTNOYPA-BXWFABGCSA-N	359.470	2.484	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1	1441103550	ZVTMXJFKCHOHSY-QGZVFWFLSA-N	356.378	2.397	10	10	FECE	
Cn1cc(CNc2ccc(C(=O)NCCc3ccc(O)c(O)c3)cc2)cn1	1294914144	WRDVCUPBLUGEGP-UHFFFAOYSA-N	366.421	2.416	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)N[C@H]3CCCNC3=O)c2C)c1	1479099379	HFARBCOATQDHPB-SFHVURJKSA-N	354.454	2.480	10	10	FECE	
Cn1nc(C(=O)NCc2ccc(O)cc2O)cc1NC(=O)OC(C)(C)C	1626847633	FKJIIQKXWGLCEK-UHFFFAOYSA-N	362.386	2.108	10	10	FECE	
Cc1ccc(CNC(=O)NCC(=O)NCc2cc(Cl)ccc2O)cc1	1632223885	QICFZYUILGUGDN-UHFFFAOYSA-N	361.829	2.470	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)c1ccc2c(Br)cnn2c1	1566360084	YAHGKDDHOOMTLI-UHFFFAOYSA-N	362.183	2.438	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOCC[C@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2124539580	XHOIGFFPASWXAL-BFHYXJOUSA-N	367.450	2.465	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)N(C)C)cc1	1640232179	JTPMKQIQRANTJD-QGZVFWFLSA-N	372.425	2.399	10	10	FECE	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1c(O)cccc1O	1647291373	YXXUYNYGTXGYAI-HNNXBMFYSA-N	358.394	2.071	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@H]2CCCOC2)n1CC1(O)CCC1	1747750857	ZEEWKLTZKARREV-INIZCTEOSA-N	372.469	2.429	10	10	FECE	
CCO[C@@H]1C[C@@H](O)C12CCN(c1cc(OC)c(OC)cc1[N+](=O)[O-])CC2	1655173628	IPNBHDZJNKAJBL-IAGOWNOFSA-N	366.414	2.368	10	10	FECE	
O=C(NCc1ccccc1O)c1csc(I)n1	1595792388	JCCAMLHHOAJDSL-UHFFFAOYSA-N	360.176	2.383	10	10	FECE	
CCN(CC)C(=O)COc1ccc(/C=C2\SC(=S)NC2=O)cc1	206940005	STGBQAQSOPBDLL-LCYFTJDESA-N	350.465	2.423	10	10	FECE	
CN(CCc1nc(=NCc2c(O)cccc2F)[nH][nH]1)C(=O)OC(C)(C)C	2128844219	XBBSHVKRCMKMAH-UHFFFAOYSA-N	365.409	2.093	10	10	FECE	
CCCCOc1nonc1CC(=O)N1CCN(c2ccc(OC)cc2)CC1	1872629156	COQJWXHIMJOKIS-UHFFFAOYSA-N	374.441	2.148	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)c1cc(O)c(O)c(O)c1	2132404542	SLQJLWFJGWANRF-QWRGUYRKSA-N	366.414	2.273	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)c1cc(O)c(O)c(O)c1	2132404367	RFDKXKZFWIODDF-WDEREUQCSA-N	366.414	2.273	10	10	FECE	
CCCNC(=O)COc1c(C)n(CCCOc2ccc(N)cc2)ccc1=O	1857919229	AVZPNECFLHAZCR-UHFFFAOYSA-N	373.453	2.113	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12CO[C@](C(=O)NCC3(CN=[N+]=[N-])CC3)(C1)C2	2142246395	PWMRPMVDWAOBNQ-CALCHBBNSA-N	365.434	2.267	10	10	FECE	
CCCc1nc(-c2ccc(O)c(O)c2)[nH]c(=O)c1I	233368819	WWLLCMNUDUZCHM-UHFFFAOYSA-N	372.162	2.405	10	10	FECE	
COc1cc(C2CC(NC(=O)OC(C)(C)C)(C(=O)O)C2)cc(O)c1O	1952680698	PNNPITLDXIZTCO-UHFFFAOYSA-N	353.371	2.332	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CCCNC(=O)CC3)ccc(N)c2C1	2145328236	HZTSYRJHCQVIAD-UHFFFAOYSA-N	374.485	2.278	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NC(=O)c2ccc(O)c(O)c2)C1	2054416725	XNWGESDUPWOBHG-SSINHNECSA-N	370.427	2.003	10	10	FECE	
CO[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CC[C@@H](N=[N+]=[N-])C2)C1	2067631773	SHFGXRHUWCVHLV-UPJWGTAASA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ccc4c(c3)CCO4)C[C@H]2[C@H]1CO	2227310281	LBHGLZOGRZPSNV-USXIJHARSA-N	360.454	2.286	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1C(=O)c1cccc(O)c1O	2278875340	OAEYUSODENVXAU-JTQLQIEISA-N	372.368	2.472	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(CC(=O)Nc1ccc(N)cc1)C2	2272653420	PGXILZIRSYHYMM-DJJJIMSYSA-N	360.458	2.054	10	10	FECE	
CCOc1cc2c(cc1C=C1C(=O)NN(c3ccccc3)C1=O)OCO2	2294400617	UYMHVXYDTPRKCV-UHFFFAOYSA-N	352.346	2.275	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N[C@@H](CO)Cc1ccccc1	2303769220	UAJDASTXRYGBHS-HXUWFJFHSA-N	366.461	2.256	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2312334196	OSWFTUBTKACRMK-XQQFMLRXSA-N	353.423	2.360	10	10	FECE	
C[C@@H](C(=O)NC(=O)NCCc1cccs1)N(C)Cc1ccccc1O	171936834	KWNNIEJTIIDGTL-ZDUSSCGKSA-N	361.467	2.343	10	10	FECE	
Nc1ccc(NC(=O)CCn2cc(I)cn2)cc1	79903082	UVIDUGUHJKYWIX-UHFFFAOYSA-N	356.167	2.099	10	10	FECE	
CO[C@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	187830452	MDLTZBLQYSYAKY-ZBFHGGJFSA-N	365.449	2.154	10	10	FECE	
C[C@H](N)c1ccc(N2CCN(CC(C)(C)O)CC2)c(Br)c1	71380978	CGBDHOHTOAOBGZ-LBPRGKRZSA-N	356.308	2.362	10	10	FECE	
C[C@@H](O)CCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	74841193	TXPMNMKPFIFTKA-CHWSQXEVSA-N	357.401	2.327	10	10	FECE	
COc1cc(C)c(NC(=O)C(=O)NCc2cccc(OC)c2O)cc1C	278201613	VHOQRCBAOJJYDB-UHFFFAOYSA-N	358.394	2.281	10	10	FECE	
COc1cc(O)c(CN2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1OC	271894290	XTWDXKNLMVVJMW-GDBMZVCRSA-N	363.410	2.327	10	10	FECE	
CO[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	287395940	SNIKTYQJKLKPPO-FZNQNYSPSA-N	365.449	2.106	10	10	FECE	
C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1cc(Br)ccc1O	804737872	SBRUKUUUGZDQAZ-SECBINFHSA-N	367.199	2.182	10	10	FECE	
O=C(C[C@@H]1CCCS(=O)(=O)C1)NCc1ccc(N2CCCC2)cc1	293429972	JFDLAXTUCJCFLJ-INIZCTEOSA-N	350.484	2.118	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1	808507989	NQSDCTCMDZRFGG-SECBINFHSA-N	358.177	2.048	10	10	FECE	
COc1ccc(N2CCC(NC(=O)c3cc4c(cn3)OCCO4)CC2)cc1	819218730	JZCDESHSBIQIRK-UHFFFAOYSA-N	369.421	2.260	10	10	FECE	
CC(C)OCc1cc(NS(=O)(=O)c2cnc3n2CCC3)ccc1O	811703597	WRWIQRQWFIUQLX-UHFFFAOYSA-N	351.428	2.261	10	10	FECE	
CCN(CC(=O)NC1CCN(C2CC2)CC1)c1ccc(OC)c(OC)c1	729474081	ZHUSYYJSBSLYHX-UHFFFAOYSA-N	361.486	2.273	10	10	FECE	
CC1(C)CCCN1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	728396278	CATKYYQBZWOUCN-MRXNPFEDSA-N	358.486	2.472	10	10	FECE	
O=C1OCCN1C[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1	824451252	QEHGIWKBTPPBEA-SNVBAGLBSA-N	355.778	2.228	10	10	FECE	
COC(=O)c1cn(C2CCN(C/C=C/c3ccc(N(C)C)cc3)CC2)nn1	835048784	YSEVOGZZNAIKFE-SNAWJCMRSA-N	369.469	2.481	10	10	FECE	
CN(C)c1ccc(/C=C\CN[C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc1	835049840	MQEPHXSDLXAYHI-BGYNLAARSA-N	351.516	2.073	10	10	FECE	
CC[C@@H](NC(=O)C(=O)NCCCSc1nccs1)[C@H]1CCCCO1	848934406	BGNZQYAOAWETBB-CHWSQXEVSA-N	371.528	2.205	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3cccc4c3C(=O)CC4)cc2)CC1	918914451	SOCTZMIUQUIIDK-UHFFFAOYSA-N	363.461	2.497	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccn(C4CCOCC4)n3)CC2)cc1	858128634	WTCKIZFHFUCMPP-UHFFFAOYSA-N	370.453	2.206	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@]3(O)CCc4ccccc4C3)C2)cc1	855225410	MVBYJFXTHGSXLS-GCJKJVERSA-N	366.461	2.310	10	10	FECE	
CC(C)(C)c1cc(CNC[C@@H](O)CS(C)(=O)=O)c(O)c(C(C)(C)C)c1	922822790	OTFMFASYVICAQZ-OAHLLOKOSA-N	371.543	2.482	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2CCNC(=O)CC2)c1	861995446	BUVFFFBOPJEZIJ-KRWDZBQOSA-N	353.422	2.305	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccnn2[C@@H](C)C2CC2)c1	760223207	SGAHTGPFRHPCBT-NEPJUHHUSA-N	372.425	2.384	10	10	FECE	
CN(C)c1cc(F)c(CN2CCCN(S(=O)(=O)C3CC3)CC2)cc1F	862358080	SPMLJIVTULHTGZ-UHFFFAOYSA-N	373.469	2.031	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N(C)CC(C)(C)S(C)(=O)=O)cc1	763477444	LTBMRWCSKVTRND-UHFFFAOYSA-N	369.531	2.497	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)NCC3(CC4CC4)CC3)C2)cc1	1119506387	PWYSWIJMWVQPGC-MRXNPFEDSA-N	371.481	2.087	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3[C@@H]4CCCO[C@H]43)cc2F)C[C@@H](C)O1	779858311	YMWWKHPHRZSKCM-FXCLURKDSA-N	362.445	2.481	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)cc1	1136850378	RWFDJTGENLFTGF-ZDUSSCGKSA-N	359.430	2.080	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1(C)C	1142722515	FOELRRUEAWBPIV-CABCVRRESA-N	364.442	2.448	10	10	FECE	
C[C@H](N)c1ccc(N(C)C[C@@H]2CCCS2(=O)=O)c(Br)c1	694120968	UOBBTRJEYVHXKN-JQWIXIFHSA-N	361.305	2.482	10	10	FECE	
C[C@@H](N)c1ccc(N(C)C2CC(S(C)(=O)=O)C2)c(Br)c1	716099391	AFWOCQGZPRRNRO-OIKLOGQESA-N	361.305	2.481	10	10	FECE	
O=C(N[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1)c1ccccc1	1182823499	SAVHHSPKGMDSLN-CYBMUJFWSA-N	358.369	2.272	10	10	FECE	
COc1ccc(CN[C@H](Cc2cncs2)C(=O)O)cc1Cn1cccn1	1330066766	RUALVIPBXGBHBX-MRXNPFEDSA-N	372.450	2.182	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]3[C@H]3C[C@@H]34)cc2)CC1	1350320294	YBYLESLPKZOBLV-LFZDHENXSA-N	367.493	2.297	10	10	FECE	
CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(F)c3N)c2)CC1	1447800507	ZTBXQEVBUYCAEX-UHFFFAOYSA-N	356.401	2.329	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@@H]2C1	2118160046	MWLSPWULIDQSFA-KGLIPLIRSA-N	362.426	2.427	10	10	FECE	
CN(C)c1ccc(CN[C@@H]2CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)cc1	2121660675	COJNAAGTXCSQSU-KURKYZTESA-N	361.486	2.477	10	10	FECE	
O=C(CCN1C(=O)c2ccccc2C1=O)NCc1cccc(Cl)c1O	1637226939	GCDURSFYMQPDER-UHFFFAOYSA-N	358.781	2.348	10	10	FECE	
CN(C)C(=O)C1CCN(C(=O)NCCCSc2nccs2)CC1	154581301	HFOJDWMRVYAQFQ-UHFFFAOYSA-N	356.517	2.135	10	10	FECE	
C[C@@H](C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1)N1CC(NC(=O)OC(C)(C)C)C1	2131756720	KVMSWMJIEYPHCQ-STQMWFEESA-N	366.466	2.133	10	10	FECE	
CN1CCc2nc(NC(=O)CCNCc3ccc(N(C)C)cc3)sc2C1	1857873788	XGNSVGJWCOBPAT-UHFFFAOYSA-N	373.526	2.315	10	10	FECE	
CCOc1cccc(CNCCC(=O)NCc2ccc3c(c2)OCO3)c1O	1857859858	JXRRMZNKPUDBAY-UHFFFAOYSA-N	372.421	2.316	10	10	FECE	
CN1CCc2cc([C@@H](O)[C@H](NC(=O)OCc3ccccc3)C(=O)O)ccc21	1917195403	SAOACJICTIAFGN-ZWKOTPCHSA-N	370.405	2.092	10	10	FECE	
O=C(OCc1ccccc1)N1CCOC[C@@H](NCc2ccc(O)cc2O)C1	1946793292	MHHDUAAAIRCAOI-KRWDZBQOSA-N	372.421	2.225	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(CCCNCc2ccc(O)cc2O)CC1	311311676	MSNYBJCZZDXXFD-UHFFFAOYSA-N	365.474	2.130	10	10	FECE	
Nc1ccc(CS(=O)(=O)NCc2ccn(Cc3ccccc3)n2)cc1	389669628	LFSJSMLTPRORAS-UHFFFAOYSA-N	356.451	2.133	10	10	FECE	
CCCN(CCNC(=O)COc1ccc(N)cc1)C(=O)OC(C)(C)C	2044203647	BAMVFZCZUGIZEP-UHFFFAOYSA-N	351.447	2.411	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)C2	2049784131	GTPYUESNHBCDMK-YTFOTSKYSA-N	350.459	2.288	10	10	FECE	
COC[C@H](CC(=O)N1CCC(CN=[N+]=[N-])CC1)NC(=O)OC(C)(C)C	2060619808	RGZKKMIXHVVYHF-ZDUSSCGKSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C1	2060636334	WSIRWUBUQONQBY-CHWSQXEVSA-N	353.423	2.314	10	10	FECE	
CCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCCCN=[N+]=[N-]	2060617141	KGDBKQPVHWBFAU-OLZOCXBDSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCC(=O)c3ccccc32)=C[C@H]1O	2188019717	HYUFUICFNDDLSN-RHSMWYFYSA-N	372.421	2.190	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)c1nc(=NCc2cc(F)ccc2O)[nH][nH]1	2066590513	OZQHNAMTIXFRQP-VIFPVBQESA-N	351.382	2.269	10	10	FECE	
C[C@@H](CCNC(=O)OC(C)(C)C)N(C)CC(=O)N(C)c1ccc(N)cc1	2106759658	IJRGTMBIRHLZQE-AWEZNQCLSA-N	364.490	2.467	10	10	FECE	
CC(C)(C)OC(=O)N1CCCN(CCNCc2ccc(O)c(O)c2)CC1	2112026623	JMKIIGDUVKOBCV-UHFFFAOYSA-N	365.474	2.130	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)COc2ccc(N)cc2)[C@H]2C[C@@H]21	2121246363	UTCUFDDTFAAHDB-PMPSAXMXSA-N	361.442	2.162	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](O)(CCNCc2ccc(F)cc2O)C1	2208901499	ZKKJADKUUJVLOW-SFHVURJKSA-N	354.422	2.383	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2225795331	MWHSQDSFZOREPB-IGCXYCKISA-N	367.450	2.486	10	10	FECE	
CC(C)(C)OC(=O)NCCc1n[nH]cc1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2227024474	JBNATIBDDKSDAC-OLZOCXBDSA-N	363.422	2.438	10	10	FECE	
CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2312333742	ZRMIZPCVYGMWNA-FRRDWIJNSA-N	354.455	2.179	10	10	FECE	
COCCN1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C[C@H]1C	117287414	DLWWZINFJVSAMK-MRXNPFEDSA-N	356.470	2.282	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1	173787267	VWTDPLCTXQTDBY-LJQANCHMSA-N	360.502	2.149	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC2)cc1	180882632	DYDJLLQUFJQXMV-UHFFFAOYSA-N	356.382	2.148	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)OC[C@H]1CC(=O)N(C2CC2)C1	86058521	WURIIRZCGMAJLH-HJYWZVSTSA-N	370.449	2.091	10	10	FECE	
Cc1c(/C=C\C(=O)N(CCN2CCOCC2)c2ccccc2)cnn1C	254931750	SHBKFGZIDULOJN-HJWRWDBZSA-N	354.454	2.107	10	10	FECE	
COc1ccc(N2CCN(CCN[C@@H]3C[C@H](C)N(C)C[C@@H]3C)CC2)cc1	268789592	BLDSBADOHBEUDO-BBTUJRGHSA-N	360.546	2.136	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCN(c3ccccc3)C2=O)c1O	278910997	SKWJHDPCGMAQQD-CQSZACIVSA-N	357.366	2.204	10	10	FECE	
Cc1cccc(NC(=O)C(=O)NCc2cc(Br)ccc2O)n1	807386751	HNNQVLAYQYDJOK-UHFFFAOYSA-N	364.199	2.113	10	10	FECE	
O=C(NCCOC[C@@H]1CCOC1)NCc1cc(Br)ccc1O	805098850	XZDWLMWAGMQTRQ-LLVKDONJSA-N	373.247	2.007	10	10	FECE	
COc1cc(N2CCN(C(=O)N3CC[C@@H](C)C3)CC2)cc(OC)c1OC	800108824	IDROUTZFTLJJNX-CQSZACIVSA-N	363.458	2.296	10	10	FECE	
COc1ccc(N2CCC(NC(=O)[C@H]3CCCC34OCCO4)CC2)cc1	806746314	DDLQAXLODPAZIR-GOSISDBHSA-N	360.454	2.323	10	10	FECE	
O=C(NCc1nc(C2CC2)no1)NCc1cc(Br)ccc1O	804937032	WQIQZBPRKZSSNY-UHFFFAOYSA-N	367.203	2.415	10	10	FECE	
O=S1(=O)C[C@@H](CNCc2ccc(N3CCOCC3)cc2)c2ccccc21	824517550	YPHAHYBQPPDELI-QGZVFWFLSA-N	372.490	2.184	10	10	FECE	
COC(=O)[C@H](NC(=O)/C=C\c1cc(C)n(-c2ccc(C)cc2)c1C)[C@H](C)O	588488544	AVPVDIWJFVDDFY-WSMSNSAYSA-N	370.449	2.454	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)c3c[nH]ccc3=N)cc2F)C[C@@H](C)O1	844172173	AOUXARMVWWSGPM-BETUJISGSA-N	358.417	2.177	10	10	FECE	
COc1cc(CNC[C@@H](N)c2ccc(N(C)C)cc2)cc2c1OCCO2	841044858	ZLSFOZJQSONIRS-QGZVFWFLSA-N	357.454	2.322	10	10	FECE	
O=C1N[C@@H](C2CCN(C(=O)NCCCSc3nccs3)CC2)CO1	921447420	IIEOZBMDBUDTIF-GFCCVEGCSA-N	370.500	2.155	10	10	FECE	
CCO[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1	852520609	KHSVJDXVIRJCTR-UAPYVXQJSA-N	361.486	2.262	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCn4c(cnc4C)C3)C2)cc1	855224438	GBCLRQRVVLQAKW-HOTGVXAUSA-N	354.454	2.158	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)NCc2cccc(Br)c2O)c2ncnn21	852476520	IZAFWUALYIGQDY-KCJUWKMLSA-N	366.219	2.251	10	10	FECE	
C[C@H](NC(=O)N[C@H]1C[C@@H](C)n2ncnc21)c1ccc(N2CCOCC2)cc1	852011810	AKJOOUZTYLSJEB-KEYYUXOJSA-N	370.457	2.181	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccccc3S(C)(=O)=O)C2)cc1	855229906	AQMNHQZEFBOGTR-CQSZACIVSA-N	374.462	2.107	10	10	FECE	
Cc1cc(C(=O)OC[C@@H](C)CS(C)(=O)=O)c(C)n1-c1ccccn1	757992150	VIGQPSACJFUNPG-GFCCVEGCSA-N	350.440	2.327	10	10	FECE	
COc1ncc(CCNC(=O)c2cc(C)n(-c3ccccn3)c2C)cn1	863442720	HYIAYWQACJILFR-UHFFFAOYSA-N	351.410	2.260	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCc2ccccc2C1	775118573	FTKWYGBSQYYTDR-LJQANCHMSA-N	365.477	2.385	10	10	FECE	
COc1ccc(O)cc1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	781270664	FEFIFHHBWIRJHD-UHFFFAOYSA-N	372.421	2.282	10	10	FECE	
Cc1cc(C2(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)CC2)on1	899210726	DFGUZBWWFFOWRZ-UHFFFAOYSA-N	354.454	2.083	10	10	FECE	
CO[C@H]1CCCC[C@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	894592576	LFAJBQRREXCZLH-MOPGFXCFSA-N	373.497	2.210	10	10	FECE	
CC[C@@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C(=O)O	780525349	XNFONIFEXZLNKX-CQSZACIVSA-N	371.384	2.419	10	10	FECE	
C[C@H]1CN(CCNC(=O)c2cc3cc(O)c(O)cc3s2)[C@H](C)CO1	898668705	JTEKLIDNPDIILP-MNOVXSKESA-N	350.440	2.152	10	10	FECE	
COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(O)c(OC)c1	797820049	DCCRQBKDGAIDGK-UHFFFAOYSA-N	355.343	2.127	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)Nc2ccc(O[C@H]3CC(=O)N3)cc2)cc1	1157794916	SEINNVWJZXUCIR-HNNXBMFYSA-N	353.338	2.326	10	10	FECE	
O=C(C(=O)N1Cc2cccc(O)c2C1)N1CCC(OC2CCCC2)CC1	1330415774	VAQSIXJHPPDSRW-UHFFFAOYSA-N	358.438	2.185	10	10	FECE	
C[C@H]1CN(C(=O)C(=O)NCCc2ccc(N)cc2)CCc2ccc(F)cc21	1349626582	MYVIGESHMNZWTL-AWEZNQCLSA-N	369.440	2.255	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(C(=O)OC(C)(C)C)n[nH]1	1346236002	HZPPLKXYXLXLKN-UHFFFAOYSA-N	372.425	2.470	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2C[C@H](C1)N2C(=O)OC(C)(C)C	2117053779	MVJHIUSBDATTSB-VBNZEHGJSA-N	360.458	2.289	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C	1360848267	OIGIESCNIAJLRS-UONOGXRCSA-N	361.442	2.391	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc3c(c2)OCO3)N(C)C)cc1	1289599448	CBMFUCXYOCIIRB-GOSISDBHSA-N	369.465	2.443	10	10	FECE	
CC(C)[C@@H](C(=O)NCc1cc(O)ccc1O)n1nnc(-c2ccccc2)n1	1471661064	GSGQNDUKJCEIKN-KRWDZBQOSA-N	367.409	2.265	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(CC2CC2)n1CCCn1ccnn1	1617940961	MCYIIQQLGOBARJ-UHFFFAOYSA-N	367.457	2.254	10	10	FECE	
CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NCCCSc2nccs2)C1	1542956176	MOFZFTFSIAXWKS-NSHDSACASA-N	371.484	2.228	10	10	FECE	
CS(=O)(=O)c1cccc(Cl)c1C(=O)NCc1ccc(O)cc1O	1557084485	AXTNPHXKADSSTB-UHFFFAOYSA-N	355.799	2.085	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)NCc2c(O)cccc2O)C1	1558535839	QCOVADFJASUISB-NHYWBVRUSA-N	368.405	2.309	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1n[nH]cc1I	1640976399	VZVQHICISUELCT-RQOWECAXSA-N	371.134	2.077	10	10	FECE	
c1cc(N2CCCCC2)ccc1CN[C@@H]1CCN(CCN2CCOCC2)C1	1649305100	GPRYZWKSUCJMJS-OAQYLSRUSA-N	372.557	2.173	10	10	FECE	
COC[C@@H]1COCCN1C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1	1652419006	UIQNHLWHBZTHPP-HXUWFJFHSA-N	370.449	2.323	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](C(=O)N1CCC[C@H]1CN=[N+]=[N-])[C@@H]1CCOC1	2124506745	AJGXIIPUUCZBDD-HZSPNIEDSA-N	367.450	2.465	10	10	FECE	
CC(C)S(=O)(=O)CCNC(=O)N(C)Cc1ccc(N2CCCC2)cc1	1681734871	UZWLZIJGYUXPFA-UHFFFAOYSA-N	367.515	2.251	10	10	FECE	
CCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)C1=O	5878903	TUGJHWPASZYJAQ-UHFFFAOYSA-N	371.368	2.227	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccn2ccnc2c1	156859460	MATCNDVPPMHQMZ-UHFFFAOYSA-N	364.449	2.473	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1	2132413184	KQWALTBLSPNXRH-VXGBXAGGSA-N	366.414	2.369	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@@H](N)C(F)(F)F	1952353002	KTPGEVRAYMYXHN-JOYOIKCWSA-N	350.337	2.423	10	10	FECE	
COc1cc([C@@H]2[C@@H](C(=O)O)CCN2C(=O)OC(C)(C)C)cc(O)c1O	1952909740	JLLNXBRFGBPVAI-GXFFZTMASA-N	353.371	2.489	10	10	FECE	
CN(CCCC(=O)NCCc1ccc(O)c(O)c1)C(=O)OC(C)(C)C	269257371	YOLKVROHYPCWDA-UHFFFAOYSA-N	352.431	2.404	10	10	FECE	
C[C@@H](CCNC(=O)CCOc1ccc(N)cc1)NC(=O)OC(C)(C)C	2044210473	YDTAQTMBSZLZCS-ZDUSSCGKSA-N	351.447	2.457	10	10	FECE	
Nc1ccc(OCCS(=O)(=O)N[C@H]2CCC=C2Br)cc1	2196837281	PPJAGNXJCYRXFX-ZDUSSCGKSA-N	361.261	2.008	10	10	FECE	
CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H]1CN(C2CC2)C[C@H]1O	2106777740	WKHNOKNLSSLTQJ-ZWKOTPCHSA-N	361.486	2.355	10	10	FECE	
COC1(CCNC(=O)Nc2ccc(N)cc2)CN(C(=O)OC(C)(C)C)C1	2110709239	JUEBRIWWILXHOJ-UHFFFAOYSA-N	364.446	2.416	10	10	FECE	
COc1ccc(N2C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1	2111819983	RFARRRNEQGHFPY-NEPJUHHUSA-N	367.402	2.068	10	10	FECE	
C[C@H](CNCc1ccc(O)cc1O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1	2230084728	YBDKXAGDAKDSIH-BFUOFWGJSA-N	366.458	2.195	10	10	FECE	
CN(CCC(=O)N1CCc2cc(O)c(O)cc2C1)C(=O)OC(C)(C)C	2318661125	AJNCKEBIBZBUNU-UHFFFAOYSA-N	350.415	2.240	10	10	FECE	
CC(C)c1noc(CCNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)n1	68160416	PETMSMUXBUNYGY-VMPITWQZSA-N	370.453	2.402	10	10	FECE	
C[C@@H](CCN1CCN(C)CC1)N[C@H](C)c1ccc(N2CCOCC2)cc1	186604118	DIAPNJOYBPJZJV-RBUKOAKNSA-N	360.546	2.200	10	10	FECE	
O=C1C[C@@H]([C@@H]2CCCCN2C(=O)NCc2ccc(N3CC=CC3)cc2)CN1	121996514	WEUMMYFVTJDHHB-MJGOQNOKSA-N	368.481	2.263	10	10	FECE	
COc1ccc(F)c(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)c1	88773445	IVUWVAHOTKWIBC-UHFFFAOYSA-N	363.364	2.294	10	10	FECE	
COCCCCS(=O)(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	274855343	IOIRMRNQJKETLO-MRXNPFEDSA-N	357.472	2.130	10	10	FECE	
COc1ccc(CN[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2OC)c(O)c1	386162637	FVAIBUFEKSJNAA-HOCLYGCPSA-N	352.431	2.125	10	10	FECE	
C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1CCC(=O)Nc1ccc(N)cc1	2162954465	YQNNYAGWDQTEHL-SMDDNHRTSA-N	372.391	2.129	10	10	FECE	
O=S1(=O)CC[C@]2(C[C@H](NCc3cc(Cl)c(F)cc3O)CCO2)C1	293584898	KAHFGLMVYNDHRJ-ABAIWWIYSA-N	363.838	2.011	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)[C@H](O)C3CCC3)cc2F)C[C@@H](C)O1	825359250	KJGKSWFLQHOHKO-SNUQEOBHSA-N	350.434	2.217	10	10	FECE	
O=C(CC1(O)CCC1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	827686280	XIQZVUCUJOTBMO-UHFFFAOYSA-N	357.498	2.140	10	10	FECE	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2CC[C@H]2C(=O)O)cc1	901604988	HODZTMUXFUZJKI-RCCFBDPRSA-N	360.454	2.371	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@](C)(CCF)C(=O)O)C2)cc1	909133839	HRQFKUFGPACJSM-FZKQIMNGSA-N	367.421	2.024	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCCS(=O)(=O)C[C@@H]2C)cc1	914254248	CVUNWODUPZUVHW-HNNXBMFYSA-N	367.515	2.251	10	10	FECE	
COC(=O)[C@@H]1CC[C@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)O1	860047526	GHUGRQHREHXSAD-SJORKVTESA-N	359.378	2.235	10	10	FECE	
COc1ccc(F)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1	769976474	NYTCWSUWPCDLSZ-UHFFFAOYSA-N	354.359	2.164	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3nc([C@H]4C[C@H]4C)no3)C2)cc1	866011293	YMPGDXLGPGODFM-IOASZLSFSA-N	356.426	2.458	10	10	FECE	
COc1cc(C)cc(CNC[C@H]2CS(=O)(=O)c3ccccc3O2)c1O	895076941	WVONEJVYKRIJMK-AWEZNQCLSA-N	363.435	2.034	10	10	FECE	
CC[C@H](C)NC(=O)[C@H](C)NCc1c(C(=O)OC)n(C)c2ccc(F)cc12	894387260	VQFOITPIYOUGMC-RYUDHWBXSA-N	363.433	2.497	10	10	FECE	
COc1cc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)ccc1O	797819332	GHNIJWLFRYSSFN-UHFFFAOYSA-N	359.407	2.446	10	10	FECE	
COC(=O)c1cc(S(=O)(=O)NCc2ccccc2O)c(F)cc1Cl	795852279	ZBRWYWSLXWOIMX-UHFFFAOYSA-N	373.789	2.450	10	10	FECE	
C[S@](=O)Cc1ccc(CNC(=O)NCc2c(O)cccc2F)cc1	1228071843	RLZSQSJWBIEQND-DEOSSOPVSA-N	350.415	2.409	10	10	FECE	
C[C@@H](NCc1ccc(Br)cc1O)C1CCS(=O)(=O)CC1	1964595167	SBYLHUBJESNPSE-SNVBAGLBSA-N	362.289	2.458	10	10	FECE	
COc1cccc(O)c1CNC[C@@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1	2116201580	COOVHWNOJYIXCZ-JGGQBBKZSA-N	366.458	2.155	10	10	FECE	
COc1cc(OC)cc(N2CC[C@@H](NC(=O)Cc3ccc(O)c(O)c3)C2)c1	1294290886	JAVVRZFPNRYIRI-CQSZACIVSA-N	372.421	2.053	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C	1296246669	NHJGYODUIIOIEA-WCFLWFBJSA-N	350.415	2.058	10	10	FECE	
O=C(CCNC(=O)c1cc2cc(O)c(O)cc2s1)NCc1cccnc1	1626534063	NANNFLANLLOMSX-UHFFFAOYSA-N	371.418	2.144	10	10	FECE	
O=C(COc1ccc(Br)cn1)NCc1c(O)cccc1F	1635366540	AIEAQKMPJUHMOE-UHFFFAOYSA-N	355.163	2.384	10	10	FECE	
Nc1c(F)cc(F)cc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	1630551124	ZOCWCFATKMCUHI-UHFFFAOYSA-N	365.355	2.453	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1	1636926826	NZPJSOXRUSDPQB-HXUWFJFHSA-N	359.397	2.233	10	10	FECE	
CN(CCc1nc(-c2ccccc2)no1)C(=O)Cc1ccc(O)c(O)c1	1568933127	KKXXVVFRKGPROA-UHFFFAOYSA-N	353.378	2.391	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C=C[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1	2124318647	ZYSSNDFSJJLOSD-UONOGXRCSA-N	362.426	2.226	10	10	FECE	
Cc1ccc(C(=O)N(C)[C@@H]2COC[C@H]2O)cc1-n1c(C)cc(C=O)c1C	1644891219	UNVNLAUTGLWLSH-RTBURBONSA-N	356.422	2.047	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H](CO)C(F)(F)F)cc1	1648317238	NVCKRWNIVPYPOT-INIZCTEOSA-N	368.355	2.489	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2124531769	GLNGJSYUWFUYCE-HZSPNIEDSA-N	367.450	2.417	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(C)(C)C(=O)N2CC[C@@H](N=[N+]=[N-])C2)CC1	2124515634	MQNBDCWWNDOSPA-CYBMUJFWSA-N	366.466	2.229	10	10	FECE	
CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1Cc1cnnn1C	1752615252	HFZNEMYWWDRXCQ-CYBMUJFWSA-N	355.446	2.310	10	10	FECE	
COc1ccc(O)c(CNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)c1	2133752189	XDDMLZDPBYNDAG-UHFFFAOYSA-N	366.458	2.252	10	10	FECE	
CCOC(=O)c1ccc(NC(=O)CCN2C(=O)CSC2=S)cc1	1865763847	IZJHYDBAKLPYNQ-UHFFFAOYSA-N	352.437	2.052	10	10	FECE	
CN[C@@H](c1ccc2c(c1)CCN2C)C1(CNC(=O)OC(C)(C)C)COC1	2131489969	DIVFYIFPHSHBKT-KRWDZBQOSA-N	361.486	2.481	10	10	FECE	
Nc1ccc(-n2nnc(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2)cc1	1857878921	OJFDSSKSFXTZOG-UHFFFAOYSA-N	359.733	2.058	10	10	FECE	
C[C@H]1CCN(C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1	2136254618	YVDOSKXJFGJUIF-JSGCOSHPSA-N	364.442	2.402	10	10	FECE	
COc1cc(N)c(N2CC(NC(=O)OCc3ccccc3)C2)cc1OC	1977945759	PZSKCIVVEITXQK-UHFFFAOYSA-N	357.410	2.401	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](CNCc2cc3c(cc2O)OCO3)C1	393365402	BOVJEQWKVZTTDR-LBPRGKRZSA-N	350.415	2.468	10	10	FECE	
Cc1ccc(O)c(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c1	2052720840	MICJWRIPVPOXOV-CVEARBPZSA-N	350.459	2.408	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)c1cn(CCNC(=O)OC(C)(C)C)cn1	2060634572	BGAKSEIOTMHVEQ-UHFFFAOYSA-N	351.411	2.180	10	10	FECE	
COc1ccc(CNC[C@@H]2CN(C)CCN2C(=O)OC(C)(C)C)c(O)c1	2098262458	DNBMVLUIQQYAOF-OAHLLOKOSA-N	365.474	2.042	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@]1(C)C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-]	2218737656	JMNMBAGPCPIZID-MQIPJXDCSA-N	353.423	2.360	10	10	FECE	
C[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCCN1C(=O)OC(C)(C)C	2224789895	VMOXJOKCKYHPLL-NSHDSACASA-N	366.414	2.275	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N[C@@H](CN1CCOCC1)c1ccccc1	2307982017	KCMOCFDTDABMRS-SFHVURJKSA-N	368.433	2.301	10	10	FECE	
CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCc2cc(O)c(O)cc2C1	2318661922	MZBMSGMWGSMMGM-UHFFFAOYSA-N	350.415	2.286	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(N)=O	119968645	SJMBYIGHYAFWOG-QGZVFWFLSA-N	366.421	2.112	10	10	FECE	
O=C(NCc1ccccn1)C1=C2CCCN2c2ccc(F)cc2S1(=O)=O	65307733	AJLWOBQIHYXZEF-UHFFFAOYSA-N	373.409	2.136	10	10	FECE	
CCOCCOCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	134261808	LEBBTPGZZBHOLC-INIZCTEOSA-N	370.877	2.179	10	10	FECE	
Cc1cnc(CNC(=S)Nc2cccc(S(=O)(=O)O)c2)c(C)c1	242453415	BOUXVYZNXDCCOG-UHFFFAOYSA-N	351.453	2.432	10	10	FECE	
COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])c(OC)c1O	278382463	LXYPWWXJUVOSGW-QKCSRTOESA-N	350.371	2.083	10	10	FECE	
CC(=O)C(=O)CSc1nnc(CN2CCCC2)n1Cc1ccccc1	288928948	QJLDBMXUZYNCRF-UHFFFAOYSA-N	358.467	2.172	10	10	FECE	
CCO[C@H]1COCC[C@H]1NC(=O)NCc1cc(Br)ccc1O	805281293	WJUOUNQUGDETAN-OCCSQVGLSA-N	373.247	2.148	10	10	FECE	
CNC(=O)N1CCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)CC1	829488500	SYCGKXUFISZMGM-UHFFFAOYSA-N	354.454	2.120	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Nc3ccc4nc(C)nn4c3)C2)cc1	823158491	IGWKZBZANTWFQS-OAHLLOKOSA-N	366.425	2.447	10	10	FECE	
CN1CCN(C(=O)CC2CCN(Cc3cc4c(cc3O)CCC4)CC2)CC1	731356182	RPEJJVODDYASIL-UHFFFAOYSA-N	371.525	2.257	10	10	FECE	
CN(C)CCn1cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cn1	747557821	QZXUQOPJWOKAKW-UHFFFAOYSA-N	354.458	2.143	10	10	FECE	
CCOCCCN1CC[C@H](NC(=O)NCc2c(O)cccc2F)[C@@H](C)C1	919049854	FSXBLUFQOZBVPA-YOEHRIQHSA-N	367.465	2.468	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)N(C)C3CCCCC3)C2)cc1	849416146	KWFLCLBQHYQZCB-HNNXBMFYSA-N	367.515	2.373	10	10	FECE	
CN(Cc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc2c(c1)OCO2	844309768	MXWARZOSOHBJBA-UHFFFAOYSA-N	360.435	2.492	10	10	FECE	
O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCCN(c2cccnc2)C1=O	845110211	XYSDKTSLBYQGFN-HNNXBMFYSA-N	374.828	2.435	10	10	FECE	
Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1	841127967	RNWWTKDGYFZHJI-CQSZACIVSA-N	367.453	2.146	10	10	FECE	
CO[C@H](C(=O)Nc1ccc(O)c(CNC(=O)[C@H](OC)C(C)C)c1)C(C)C	923120313	PLXMLPVBDWMYNN-SJORKVTESA-N	366.458	2.289	10	10	FECE	
CNC(=O)c1cccc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	855232438	UCONGAFSBDXHIZ-MRXNPFEDSA-N	353.422	2.064	10	10	FECE	
C[C@H]1CN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C[C@@H](C)[C@@H]1O	853487724	VJYLSERGTZHVDK-OLMMMNRUSA-N	361.486	2.243	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCCOc3ncccc3F)C2)cc1	852221675	FJFHXKVXVAKKRH-AWEZNQCLSA-N	374.416	2.186	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCN(C2CC2)C(=O)C1	859869161	IVQAYNKRPPYFJG-UHFFFAOYSA-N	365.433	2.353	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCO[C@](C)(C4CC4)C3)C2)cc1	852449659	VNOFDDPCUAWOAR-UZLBHIALSA-N	359.470	2.484	10	10	FECE	
C[C@H](NC[C@@]12COCCN1C(=O)OC2)c1cc(Br)ccc1O	866519450	BGMXVKPVERHKNR-BONVTDFDSA-N	371.231	2.027	10	10	FECE	
CC(=O)c1cncc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	895495528	RMUCXHUVCCSHAA-UHFFFAOYSA-N	353.422	2.393	10	10	FECE	
CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(O)c(OC)c1	799544835	HNRGUKVDTIRYRT-UHFFFAOYSA-N	351.380	2.378	10	10	FECE	
COc1ccc(N2CCN(C(=O)CCc3cc(C)[nH]n3)CC2)c(OC)c1	1302001167	UDJKERLMYRPWQQ-UHFFFAOYSA-N	358.442	2.017	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2cc(F)ccc2[nH]c1=O	1154024789	DLTDYTRGWAQNKQ-JTQLQIEISA-N	356.353	2.439	10	10	FECE	
COc1cc(N2CCN(CCOC(C)C)CC2)c([N+](=O)[O-])cc1OC	1162693834	SIVNVCVLRRRIDS-UHFFFAOYSA-N	353.419	2.159	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNCc1ccc(F)c(F)c1O	703261418	VTUOCQCZDNJMRR-CYBMUJFWSA-N	371.428	2.311	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)N[C@H]1CCCC(F)(F)C1	1323480849	OBELKUPOLQGFGS-JTQLQIEISA-N	363.455	2.436	10	10	FECE	
CCOc1ccc(N2CCN(S(=O)(=O)[C@H]3COC(C)(C)C3)CC2)cc1	1331339915	MPJPPBUNPSKEOH-QGZVFWFLSA-N	368.499	2.105	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2C[C@@H](CCO)[C@@H](CO)C2)c1	1351005341	KPMJMFMRSPADJB-QZTJIDSGSA-N	356.466	2.465	10	10	FECE	
CCOC(=O)c1ccc(NC(=O)/C(=C/C2=S=CC=C2)NC(C)=O)cc1	1463655104	SRPVBZZQNDKOOF-WJDWOHSUSA-N	358.419	2.099	10	10	FECE	
CCc1nc(C)ncc1C(=O)N1CCN(c2ccc(OC)cc2OC)CC1	1534587612	OQOODXSWTFWYSH-UHFFFAOYSA-N	370.453	2.327	10	10	FECE	
Cn1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(Cl)n1	1618647691	GPLJQUWUQUGSKK-UHFFFAOYSA-N	366.824	2.104	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CC[C@H]1CO	2122344424	GBHKHPBYSBRKAG-SWLSCSKDSA-N	364.446	2.008	10	10	FECE	
COc1ccc(Cl)cc1[C@H](O)CNC(=O)Cc1ccc(O)c(O)c1	1624035925	CEGSPADUHUVRHV-OAHLLOKOSA-N	351.786	2.152	10	10	FECE	
COC(=O)c1ccn(CCCC(=O)N[C@@H](C)c2cc(OC)ccc2O)n1	1630372133	FISCAZAOYXFGEZ-LBPRGKRZSA-N	361.398	2.042	10	10	FECE	
CC(C)(CO)c1nc2ccc(C(=O)NCc3c(O)cccc3O)cc2[nH]1	1645363503	XWTMMLYYWSJRDV-UHFFFAOYSA-N	355.394	2.174	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1cncc(I)c1	1597574531	OWEVDBFPRICODB-UHFFFAOYSA-N	370.146	2.027	10	10	FECE	
CCN1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C1=O	5926517	JLGOKLZATGWIJM-YBEGLDIGSA-N	353.378	2.281	10	10	FECE	
Cc1cccc(CNC(=O)CO[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1O	2139742762	XHJSESHYMBDHHJ-HNNXBMFYSA-N	364.442	2.343	10	10	FECE	
C[C@H](NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C(F)F	2136246257	XQOGQXFMPYCBKN-ONGXEEELSA-N	374.384	2.303	10	10	FECE	
CN[C@@H](C)c1ccc(N2CCS(=O)(=O)C[C@@H]2C)cc1Br	234453560	PQOJBGXZRNDCRO-QWRGUYRKSA-N	361.305	2.353	10	10	FECE	
CC(C)(C)OC(=O)N1CCS[C@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1	2010393400	RWGSSXJDSASMLV-NEPJUHHUSA-N	355.464	2.498	10	10	FECE	
CC(C)(C)OC(=O)NCc1nc(=NCc2ccc(O)cc2O)s[nH]1	2014198968	PQDUSSRNMQVVCO-UHFFFAOYSA-N	352.416	2.008	10	10	FECE	
COc1ccc(O)c([C@H](C)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c1	2032622193	GPIHOJCCOIOGPW-CQDKDKBSSA-N	352.431	2.344	10	10	FECE	
C[C@H]1CN(c2ccc(CN)c(Br)c2F)C[C@H](C)S1(=O)=O	400897466	KJOBRWQTFOSCGK-IUCAKERBSA-N	365.268	2.059	10	10	FECE	
CC(C)SC[C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]1C[C@H](N)C1	1906906179	MPSMHNLLZPYYDV-AVGNSLFASA-N	358.504	2.287	10	10	FECE	
CN(CCCN(C)S(=O)(=O)Cc1ccc(N)cc1)C(=O)OC(C)(C)C	2044645808	HVGDNLBUVRXDTC-UHFFFAOYSA-N	371.503	2.287	10	10	FECE	
Nc1ccc(Br)c(S(=O)(=O)NCc2ccccc2O)c1	2191709050	YGHQTRREHQTZJA-UHFFFAOYSA-N	357.229	2.215	10	10	FECE	
CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2060633844	RXZIHSRGDNYQME-HSMVNMDESA-N	353.423	2.360	10	10	FECE	
CCOC1(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])CN(C(=O)OC(C)(C)C)C1	2060616103	WRCSGJVEMQLEFT-GFCCVEGCSA-N	353.423	2.314	10	10	FECE	
C[C@@H](COCC(=O)N1CCC(CN=[N+]=[N-])CC1)NC(=O)OC(C)(C)C	2060634567	BEDQWXWHGUXOCV-LBPRGKRZSA-N	355.439	2.465	10	10	FECE	
COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2060613509	RWKNFBFKXUOTMC-NWDGAFQWSA-N	357.411	2.007	10	10	FECE	
C[C@H](CCNC(=O)OC(C)(C)C)N(C)C[C@H](O)COc1ccc(N)cc1	2106760917	STUOHDLKKHSRSF-ZBFHGGJFSA-N	367.490	2.244	10	10	FECE	
CCN1CCc2cc([C@H](NC)C3(O)CN(C(=O)OC(C)(C)C)C3)ccc21	2106851467	UEDPIGLLQJUWLA-KRWDZBQOSA-N	361.486	2.311	10	10	FECE	
COc1ccc(N(C)CCN2CCN(C(=O)OC(C)(C)C)CC2)c(N)c1	2106811942	LMXRARMJUVXIKD-UHFFFAOYSA-N	364.490	2.266	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@H](O)C3(N(C)C(=O)OC(C)(C)C)CC3)ccc21	2107750038	UOVINXMUYMALOD-SJORKVTESA-N	361.486	2.439	10	10	FECE	
COc1ccc(N2N=C(C)C(=C(C)NCCCN3CCOCC3)C2=O)cc1	2294492871	LRRJQROFINAFJK-UHFFFAOYSA-N	372.469	2.004	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3CCCC[C@H]3[C@H]3CNC(=O)C3)ccc21	119677175	CYODWBBNDRAJFT-MJGOQNOKSA-N	370.497	2.269	10	10	FECE	
O=C(NN1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S)c1cccnc1	33403331	QDXXNRJLFBPVRH-NTUHNPAUSA-N	373.415	2.039	10	10	FECE	
O=C(CCC(=O)c1ccc(Cl)cc1)NCCN1C(=O)CSC1=S	71500703	FGPSCULZXCPZKV-UHFFFAOYSA-N	370.883	2.279	10	10	FECE	
Cc1nc(C2(NCC(=O)N(C)Cc3ccc(N(C)C)cc3)CCC2)no1	184653300	ZIYHCRMREKZNEX-UHFFFAOYSA-N	357.458	2.071	10	10	FECE	
CN(NCc1cc(Br)cc(F)c1O)S(=O)(=O)C1CCC1	2365272928	HLMOJYOLKBXKIC-UHFFFAOYSA-N	367.240	2.113	10	10	FECE	
CCCOc1ccc(CN2CC[C@H](S(=O)(=O)N3CCCC3)C2)c(O)c1	92044955	DEVNZMQKKYCANN-KRWDZBQOSA-N	368.499	2.181	10	10	FECE	
COc1ccc(N2CCN(c3cc(C(=O)NC4CC4)ccn3)CC2)cc1	242757397	DKJUSZYQRWWNQU-UHFFFAOYSA-N	352.438	2.309	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C	808515365	OJYXCQJFJQPWDL-MCIONIFRSA-N	353.415	2.256	10	10	FECE	
O=C1CC[C@H](N2CCN(Cc3ccc4ccccc4c3O)CC2)CCN1	825147538	IKRASCLXUHBXNM-SFHVURJKSA-N	353.466	2.332	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Nc3nc4n(n3)CCCC4)C2)cc1	823736017	PFGPEOGROWXFEI-ZDUSSCGKSA-N	356.430	2.023	10	10	FECE	
CC(=O)Nc1cccc2c1CCCN2C(=O)c1ccnc2c1CC(=O)N2	666889857	ZJTRWNMDRROEBG-UHFFFAOYSA-N	350.378	2.128	10	10	FECE	
OC[C@]1(NCc2cc3c(cc2O)OCO3)CCCN(Cc2ccccc2)C1	734845707	BDXJETVGXZUBTH-NRFANRHFSA-N	370.449	2.238	10	10	FECE	
C[C@@H]1C[C@@H](S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)CCO1	830056984	LPBXVRLITUTYFT-PBHICJAKSA-N	370.540	2.227	10	10	FECE	
CN=[S@@](C)(=O)CCNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1	912779456	CJULSENPKNFDCQ-VWLOTQADSA-N	361.467	2.364	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN3CC[C@@]4(C3)CC4(F)F)CC2)cc1	844467093	JTERBSSEUVKGBB-SFHVURJKSA-N	365.424	2.075	10	10	FECE	
NC/C=C/CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	841843382	GIUHBCJBUDJIHS-AORQRIRUSA-N	354.401	2.071	10	10	FECE	
O=C(NCc1c(O)cccc1F)[C@H](c1ccccc1)N1CCC(O)CC1	928704490	ACIZTZVULCKEHL-IBGZPJMESA-N	358.413	2.346	10	10	FECE	
CCN(CC)[C@H](C)CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	852182618	ZRAIXJUKEYWHGJ-MRXNPFEDSA-N	362.518	2.177	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCCN3CCC(C)CC3)C2)cc1	851977583	DLISKNSTDUEUDK-QGZVFWFLSA-N	360.502	2.305	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)Cc3ccccc3)C2)cc1	852451535	MVEHROFXJCPWQY-ZWKOTPCHSA-N	369.465	2.177	10	10	FECE	
C[C@@H](NC(=O)N1CCC(N2CC[C@H](O)C2)CC1)c1ccc(N(C)C)cc1	854003198	GBONQFFEECRQBE-BEFAXECRSA-N	360.502	2.054	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCCc2ncnn2C)c1	862085247	JOVMMZAASLRWCB-UHFFFAOYSA-N	365.437	2.398	10	10	FECE	
CN(C)c1ccc(CNC(=O)N[C@@H](c2ccccc2)c2nc[nH]n2)cc1	767213131	QZFVGPBYXCWGRW-KRWDZBQOSA-N	350.426	2.460	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](CO)C2CC2)C1	768163670	MWUUTMQVQZWFQJ-GOSISDBHSA-N	355.482	2.295	10	10	FECE	
O=C1OC(c2cccnc2)=N/C1=C\c1ccc(N2CCOCC2)c(F)c1	764414186	QNXODXXKHMNKRQ-WJDWOHSUSA-N	353.353	2.402	10	10	FECE	
Cc1ccc2c(O)c(C(=O)OCC(=O)c3ccc(O)c(O)c3)cnc2n1	782821002	KBCPEMCCMVGVBM-UHFFFAOYSA-N	354.318	2.095	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@@H](c2cccnc2)C2CC2)cc1	785427323	CTMXRBUCEVOWNB-GOSISDBHSA-N	352.438	2.031	10	10	FECE	
CN1CCCc2cc(CNC(=O)CC[C@H]3CC[C@H](C4OCCO4)O3)ccc21	895980908	OUAUJZMEEPDTJB-IEBWSBKVSA-N	374.481	2.386	10	10	FECE	
COCCCCS(=O)(=O)NCc1cc(Br)ccc1O	796190958	HMLKWPVPXYDAIM-UHFFFAOYSA-N	352.250	2.001	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cnnc(O)c1	1137349007	ATULFWYINZSZIX-UHFFFAOYSA-N	352.188	2.313	10	10	FECE	
NC(=O)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)c(OCC(F)F)c1	1141796833	AVQOQZSKEGOOQN-UHFFFAOYSA-N	366.320	2.022	10	10	FECE	
C[C@@H](NC(=O)c1cc(S(N)(=O)=O)c(Cl)o1)c1ccc(N(C)C)cc1	1154669211	ULDNVPBFTZNTIH-SECBINFHSA-N	371.846	2.137	10	10	FECE	
COc1ccc(Br)c(CNCCSCCCO)c1O	1964033792	XXNADYALDDIXFH-UHFFFAOYSA-N	350.278	2.369	10	10	FECE	
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1O	1963695548	XZYSVGJLHCHNPE-DOMZBBRYSA-N	352.431	2.279	10	10	FECE	
C[C@@H]1SCCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)[C@H]1C	1246303889	SEPDBCXSLVHTME-HOTGVXAUSA-N	362.543	2.474	10	10	FECE	
CN1C[C@H]2[C@@H](NC(=O)NCc3cccc(Br)c3O)CC[C@H]2C1	1263783278	ZOGSFPPEKGSDAI-SCRDCRAPSA-N	368.275	2.294	10	10	FECE	
CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@]1(O)CCO[C@@H]1C	1509137282	JUPOGNQYQRQQQB-QRWLVFNGSA-N	374.485	2.359	10	10	FECE	
C[C@H](NC[C@@H]1C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1c(O)cccc1O	2116205117	IEVWGLCOQAULBG-JFILPPLUSA-N	366.458	2.413	10	10	FECE	
CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1COCCO1	1541428576	BSDAJFSQKPBOEO-MRXNPFEDSA-N	360.458	2.234	10	10	FECE	
O=C(Cn1ccc(Br)cc1=O)NCc1cccc(Cl)c1O	1558757683	OBVXOBPVYRCJHB-UHFFFAOYSA-N	371.618	2.286	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCC[C@H](N=[N+]=[N-])C1)[C@@H]1CCOC1	2124506597	ZGRZYQPMUDBSKH-RDBSUJKOSA-N	367.450	2.465	10	10	FECE	
COC[C@]1(C(=O)NCC2(CN=[N+]=[N-])CC2)CCN(C(=O)OC(C)(C)C)C1	2124503685	NWFXJDYLGVNHAJ-KRWDZBQOSA-N	367.450	2.467	10	10	FECE	
COc1ccc(COCC(=O)NCc2ccc3cccnc3c2O)cn1	1643285160	SDQHTLZOLYGSFL-UHFFFAOYSA-N	353.378	2.177	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N2CCOc3c(F)ccc(F)c32)c1	1585490627	GDYXPSBTCXDQSN-DJWKRKHSSA-N	359.332	2.158	10	10	FECE	
CCn1c(SCC(=O)NCc2cc(O)ccc2O)nnc1-c1ccco1	1593868000	GGIPLRMLGKHZFQ-UHFFFAOYSA-N	374.422	2.378	10	10	FECE	
C[C@@H](NC(=O)c1cccc(O)c1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	1965131137	KATKTXYMGVYVKO-VXGBXAGGSA-N	350.415	2.473	10	10	FECE	
COc1ccc(CNC(=O)NCc2ncc(C(F)(F)F)cn2)c(O)c1	1672914465	CAGKVPBKTASTJD-UHFFFAOYSA-N	356.304	2.209	10	10	FECE	
Cc1cc(CCNC(=O)N[C@H](CO)[C@@H]2CCOC2)c(C)n1-c1ccccc1	1684318913	SCHRYSUWEKOWDI-UYAOXDASSA-N	371.481	2.333	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(O)c(O)c2O)[C@@H](F)C1	2029905540	FCEDQZKLZJRHHA-NWDGAFQWSA-N	356.394	2.241	10	10	FECE	
CS(=O)(=O)CC1CCN(c2ccc(CN)c(Br)c2)CC1	312938909	FYNMNYOIRQIYHM-UHFFFAOYSA-N	361.305	2.169	10	10	FECE	
CNC(=O)c1nn(Cc2c(O)cccc2F)c(C(F)(F)F)c1[N+](=O)[O-]	2079171390	RRYVHSZMZACNFS-UHFFFAOYSA-N	362.239	2.063	10	10	FECE	
Nc1ccc(CCNS(=O)(=O)C2CC(OCc3ccccc3)C2)cc1	2043130129	WTSIKGPGEGJGJG-UHFFFAOYSA-N	360.479	2.479	10	10	FECE	
C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)CCOc1ccc(N)cc1	2044232162	VPBKIYCFORCNEV-ZDUSSCGKSA-N	351.447	2.457	10	10	FECE	
COc1ccc(N(C)[C@@]2(CNC(=O)OC(C)(C)C)CCOC2)c(N)c1	2044723183	XOTCFVWJVOXOBG-GOSISDBHSA-N	351.447	2.397	10	10	FECE	
C[C@@H]1COC[C@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)N1C(=O)OC(C)(C)C	2060618966	GOQXSKJPAKZSGQ-JHJVBQTASA-N	353.423	2.170	10	10	FECE	
C[C@H](NC(=O)COc1ccc(N)cc1)C(C)(C)NC(=O)OC(C)(C)C	2076542866	KDXCRQMFPMIOLT-LBPRGKRZSA-N	351.447	2.456	10	10	FECE	
CN(CCn1cc(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)cn1)C(=O)OC(C)(C)C	2225242421	YDZGMAVCTSSHOY-CYBMUJFWSA-N	363.422	2.275	10	10	FECE	
CN1CCc2cc([C@@H](O)[C@]3(C(=O)O)C=CCN3C(=O)OC(C)(C)C)ccc21	2237168412	IIZSMAOSKAITSH-UZLBHIALSA-N	374.437	2.343	10	10	FECE	
COc1ccc(N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)c(CN)c1	2227680674	ADKIZHJJSPUGBP-LEWJYISDSA-N	353.466	2.244	10	10	FECE	
COc1ccc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC	2296382170	XUXCCKKJHPZNBH-UHFFFAOYSA-N	352.346	2.370	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N1CCO[C@@H](C(F)F)C1	2312582133	JWYWJJUOIBCSQK-MRXNPFEDSA-N	352.381	2.029	10	10	FECE	
C[C@H]1COC[C@H](C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])N1C(=O)OC(C)(C)C	2312333836	CEPBDWTVNYCBCK-QNWHQSFQSA-N	353.423	2.358	10	10	FECE	
CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)C1[C@@H]2COC[C@@H]12	2341345596	XZGCIGMSOQLCNL-BRWVUGGUSA-N	361.486	2.367	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)[C@H]2CSCN2C(C)=O)cc1F	108996553	LIDIBEMPEKUMQI-MRXNPFEDSA-N	353.463	2.210	10	10	FECE	
COc1ccccc1N/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O	100296140	JVYGHUCEQLSSAH-JLHYYAGUSA-N	355.325	2.413	10	10	FECE	
Cc1cc(/C=C/C(=O)NCC(N)=O)c(C)n1-c1ccc(OC(F)F)cc1	67246931	LETYAYFEYPVBMQ-FPYGCLRLSA-N	363.364	2.310	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1	270572427	ZPZNJVDKBPAWNE-ZIAGYGMSSA-N	364.442	2.450	10	10	FECE	
O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)N1CCOC[C@@H]1C1CC1	372319386	SMBZIYMGVVPVLV-RTBURBONSA-N	374.481	2.011	10	10	FECE	
COc1cccc(CN[C@@H]2CCN(C(=O)COc3ccccc3)C2)c1O	282972795	LMMDAWANPPPHJZ-MRXNPFEDSA-N	356.422	2.170	10	10	FECE	
O=C(NCCCc1ccccn1)C(=O)NCc1ccc(N2CCCC2)cc1	284338879	XTRFRTHRYMRQDK-UHFFFAOYSA-N	366.465	2.047	10	10	FECE	
COCC[C@@H](COC)NC(=O)NCc1cccc(Br)c1O	811955523	ALYJQHLTGUDREO-NSHDSACASA-N	361.236	2.005	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCCC[C@@H]2CNS(C)(=O)=O)cc1	835026193	RWXDMHSGCVEFPI-IPLHWJFFSA-N	351.516	2.170	10	10	FECE	
Cc1cc(CCNC(=O)CN2CCN(C)CC2)c(C)n1-c1ccccc1	746105654	AHAUMHWVCLLOGN-UHFFFAOYSA-N	354.498	2.000	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)NCCC3(CO)CCC3)C2)cc1	845267991	JEFVBCLBWOESDM-INIZCTEOSA-N	361.486	2.373	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)c3sccc3OC)C2)cc1	849416606	SVEUOCIBSXAVJJ-GFCCVEGCSA-N	368.480	2.323	10	10	FECE	
C[C@H]1CN([C@H](C)CNC(=O)NCCCSc2nccs2)C[C@@H](C)O1	847335548	FJLHVAIBCNINCG-MCIONIFRSA-N	372.560	2.422	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC1CC(CC(N)=O)C1	925058826	YGZBDVOSCMJBBF-UHFFFAOYSA-N	358.486	2.472	10	10	FECE	
COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)NCc2c(O)cccc2F)C1	922053141	WUVYRSRUPZAILC-VXGBXAGGSA-N	353.394	2.197	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)/C=C\c1ccc(S(C)(=O)=O)o1	858199474	KMTJRAJRXAAQRJ-LUAWRHEFSA-N	362.451	2.421	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CCc3c(C)nc(C)nc3O)C2)cc1	857302274	LMMUJZJUGOTMCM-HNNXBMFYSA-N	370.453	2.135	10	10	FECE	
CO[C@H]1C[C@@H](CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	859010847	LFQYDJJUDBFKKH-FZNQNYSPSA-N	365.449	2.011	10	10	FECE	
C[C@H]1CCn2cc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)nc2C1	864932250	VTAUDQOWWRNYAX-AWEZNQCLSA-N	372.444	2.371	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CC[C@@H](Nc3ncccn3)C2)c([N+](=O)[O-])c1	1118124763	JFZLBYIWGLZDGV-YVARQFDVSA-N	369.381	2.262	10	10	FECE	
COC(=O)[C@H](CC(=O)N[C@@H](C)c1ccccc1O)NC(=O)OC(C)(C)C	1877573587	MNZWUOXUOXRXRS-AAEUAGOBSA-N	366.414	2.026	10	10	FECE	
CN(C)c1ccc(CNC(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)cc1	783656942	PSLDPIGTGNNDSN-CMHOHELDSA-N	367.493	2.061	10	10	FECE	
Cc1cc(CCNC(=O)C2=NN(C)C(=O)CC2)c(C)n1-c1ccccc1	783650202	LTFNMZLGQIVBTM-UHFFFAOYSA-N	352.438	2.361	10	10	FECE	
CS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cc(O)ccc2O)c1	1176747813	BPDVRHKISBKWCF-UHFFFAOYSA-N	355.799	2.085	10	10	FECE	
CCOC(=O)N1CSC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	1265457511	MIBGQFADBCHQAC-AWEZNQCLSA-N	365.455	2.009	10	10	FECE	
COc1nccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)n1	1516809121	ADQQEVOIHAFTEB-BETUJISGSA-N	374.416	2.168	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(C=O)[nH]1	1466397673	BSHLZQSLSLOTCE-UHFFFAOYSA-N	350.758	2.002	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCc2ccc3c(c2)C(=O)NCC3)cc1	1611288886	WFJHNIZEKZZGSF-UHFFFAOYSA-N	351.366	2.065	10	10	FECE	
COC(=O)[C@@H]1CCN1C(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2	1538367131	WGSRVZRNMYZXEW-SFHVURJKSA-N	356.422	2.303	10	10	FECE	
CCN(C)[C@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1	1471546305	AZLRKOYPFCSTHP-RBUKOAKNSA-N	361.534	2.091	10	10	FECE	
CC(=O)N[C@@H](CC(=O)NCc1ccc(O)cc1O)c1c(F)cccc1F	1626837935	KOQIHIJJSLHVCN-HNNXBMFYSA-N	364.348	2.260	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)c3cc4n(n3)CCC[C@H]4O)CC2)cc1	1636707007	PYRWFNORUVZMFC-LJQANCHMSA-N	370.453	2.071	10	10	FECE	
O=C1Nc2ccc(F)cc2C2(CN(C(=O)c3c(F)ccc(O)c3O)C2)O1	1651262566	DBSZTJZPFXPSDL-UHFFFAOYSA-N	362.288	2.289	10	10	FECE	
CC(C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CC[C@H](CO)O1	1760896197	CMGJKGICUZREKL-JKSUJKDBSA-N	360.458	2.283	10	10	FECE	
C[C@@H]1CCCN(S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1	158134363	ABCXLVQSAYIHBG-WBVHZDCISA-N	368.499	2.350	10	10	FECE	
COc1ccc(OCCNC(=O)CCNCc2ccc(N(C)C)cc2)cc1	1857858665	BOBIYSXITBIBNU-UHFFFAOYSA-N	371.481	2.436	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12CO[C@](C(=O)N3CCC[C@H]3CN=[N+]=[N-])(C1)C2	2142247976	DWVYLQKDQQUNPT-AFAVFJNCSA-N	365.434	2.362	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H](NCc3cccc(O)c3O)CO2)C1	2137110760	JQIAHPSIECIJSG-IFXJQAMLSA-N	364.442	2.356	10	10	FECE	
O=C(NC[C@@]12CN(Cc3ccccc3)C[C@@H]1CCO2)c1ccc(O)c(O)c1	2175199479	RQXDVLPZIRZLKE-LAUBAEHRSA-N	368.433	2.119	10	10	FECE	
CC(C)[C@H](CNS(=O)(=O)Cc1ccc(N)cc1)NC(=O)OC(C)(C)C	2044248131	SIVCKLURPFJUJV-HNNXBMFYSA-N	371.503	2.238	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2060633068	JPNXYNFRFRADCK-FRRDWIJNSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCCF	2080885494	DMQPLGMKOAEZDB-LBPRGKRZSA-N	356.394	2.009	10	10	FECE	
Cc1ccc(O)c([C@H](C)NCC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)c1	2102954287	YCIDMKAEPCCQEI-ZDUSSCGKSA-N	363.458	2.074	10	10	FECE	
C[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(O)[C@@H](N)c1ccc2c(c1)CCN2C	2106849628	YMKYITZZSBZGLT-ROOHIHILSA-N	361.486	2.439	10	10	FECE	
Nc1ccc(OCC(=O)Nc2nc(Cl)ncc2Br)cc1	2200799487	LVRVIOQXDSOHJO-UHFFFAOYSA-N	357.595	2.492	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CC[C@@]1(C(=O)O)CN(Cc1ccccc1O)C2	2271623281	XEQNOPGKYHEBAS-LIRRHRJNSA-N	362.426	2.431	10	10	FECE	
CC(C)(C)OC(=O)NCCCC[C@H](NCc1cccc(O)c1O)C(=O)O	2274057221	BDCHMKNBCULXIO-ZDUSSCGKSA-N	368.430	2.336	10	10	FECE	
CN[C@H](c1ccccc1O)[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O1	2265106922	ANJCXGMGDMIHST-WCXIOVBPSA-N	364.442	2.056	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CC(F)(F)CN1C(=O)c1cccc(O)c1O	2278879238	OAEYUSODENVXAU-SNVBAGLBSA-N	372.368	2.472	10	10	FECE	
C[C@@H]1CC[C@@H](S(C)(=O)=O)CN1c1ccc(CO)cc1Br	2279400174	FSWONCLIBJUNOV-ZYHUDNBSSA-N	362.289	2.343	10	10	FECE	
CCOc1ccc(N2C(=O)C(=Cc3cccn3C)C(=O)NC2=S)cc1	2297354670	RPCCIFNWBDJZNG-UHFFFAOYSA-N	355.419	2.255	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@@H](C(=O)C(=O)C[C@H]3C[C@H](N)C3)C[C@@H]21	2311800120	QCFGFWCEQSTBIY-LOVFCKMRSA-N	350.459	2.191	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2331230368	KUEPENIRMSBLQU-MJBXVCDLSA-N	367.450	2.438	10	10	FECE	
c1cnc(N2CCOCC2)c(CNCc2ccc(N3CCOCC3)cc2)c1	69678412	ZKDPVLMCZVYUTD-UHFFFAOYSA-N	368.481	2.045	10	10	FECE	
C[C@H](C(=O)OC(C)(C)C)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1	177045444	LLWQDPMQCVIKEG-OAHLLOKOSA-N	363.502	2.373	10	10	FECE	
Cn1cc([C@H]2OCC[C@@H]2NC(=O)NCc2ccc(N3CCCC3)cc2)cn1	190074313	BBMDKEASADAACW-RBUKOAKNSA-N	369.469	2.350	10	10	FECE	
COc1ccc(CN2CC[C@@H]2CNC(=O)NCc2ccccc2O)cc1	528178771	LGPXWTNYMSHBFK-QGZVFWFLSA-N	355.438	2.475	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CCC(Oc3cnccn3)CC2)c1O	373263477	ICINNHDODBZJRM-UHFFFAOYSA-N	360.370	2.142	10	10	FECE	
Cn1cc(C(C)(C)C(=O)NCc2cc(Br)ccc2O)cn1	804738048	ABAJEQXVJDFGMI-UHFFFAOYSA-N	352.232	2.482	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)N1CCOc3cc(N(C)C)ccc31)C2	819335421	WAVYGKNZULCOHP-IMJJTQAJSA-N	373.453	2.345	10	10	FECE	
COC(=O)c1ccnc(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	822507681	FVCFQYJDAAFEGL-AWEZNQCLSA-N	370.409	2.277	10	10	FECE	
Cn1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C2CCCC2)n1	905016513	SRNKKWAUMCEKHZ-WDZFZDKYSA-N	351.453	2.364	10	10	FECE	
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1	906261062	MHBZOVLNMGXLID-DLBZAZTESA-N	362.495	2.445	10	10	FECE	
C[C@@]12CCC(=O)N1[C@@H](C(=O)NCCCSc1nccs1)CS2	733878787	HIGFGCZVJQDGPA-QMTHXVAHSA-N	357.526	2.196	10	10	FECE	
CCOC(=O)[C@H]1[C@H]2CN(C(=O)NCc3ccc(N(C)C)c(F)c3)CC[C@H]21	915371902	JOHBMCMSOWKRBF-JKIFEVAISA-N	363.433	2.232	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCCCCO1	844898476	WDFGBUUTHHCPHK-UHFFFAOYSA-N	351.422	2.414	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CNC[C@]2(CO)CCc3ccccc32)c1O	846012198	WNMSJAZDRTZQLF-IBGZPJMESA-N	358.394	2.275	10	10	FECE	
O=C(O)/C=C\c1ccc(N2CCC(Cn3cnnc3)CC2)c([N+](=O)[O-])c1	846294012	HACCETAOYXOPKK-RQOWECAXSA-N	357.370	2.201	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3CCOC[C@@H]3c3ccnn3C)ccc21	844936384	XVJMRTRRUNTHDU-LJQANCHMSA-N	369.469	2.086	10	10	FECE	
Cc1cccc(CC2CN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C2)c1	754468392	IJNXAXREULGHDV-UHFFFAOYSA-N	374.462	2.387	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H](C)Cn2cncn2)cc1	858558231	LEKQUGRQCXLXAP-AWEZNQCLSA-N	365.437	2.246	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)COCCOc3ccccc3)C2)cc1	855231228	ISQCTLHGNUCOKW-KRWDZBQOSA-N	370.449	2.486	10	10	FECE	
O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCCN2CCSC[C@@H]12	925167327	PPAWBXOXVATQRR-KGLIPLIRSA-N	355.891	2.425	10	10	FECE	
O=[N+]([O-])c1cc(Cl)cc(CNCC[S@](=O)CC(F)(F)F)c1O	850348700	RXNNRXMULSZJEO-QFIPXVFZSA-N	360.741	2.354	10	10	FECE	
Cc1cc(CC(=O)N2CCN(CCO)C[C@@H]2C)c(C)n1-c1ccccc1	854897411	YQPOKROJVATPIP-KRWDZBQOSA-N	355.482	2.162	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Nc3cnc4c(c3)CNCC4)C2)cc1	850753483	FTWQJOCOXBAIEA-HNNXBMFYSA-N	367.453	2.136	10	10	FECE	
COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	855230032	DNLGALSZIMGUGH-ARFHVFGLSA-N	360.454	2.370	10	10	FECE	
Cc1ccc(O)c(CNC(=O)CN2CC[C@H](c3ccccc3)NC2=O)c1	862753928	LQGMPATUKRCLBN-QGZVFWFLSA-N	353.422	2.473	10	10	FECE	
CCn1nc2c(cc1=O)CN(Cc1c(O)cccc1Br)CC2	862251067	ZWIVBFZOJLSXCL-UHFFFAOYSA-N	364.243	2.290	10	10	FECE	
Cc1cc(NC(=O)C(=O)NCc2ccccc2O)n(-c2ccccc2C)n1	761927886	CHRTXAAQEUFVEX-UHFFFAOYSA-N	364.405	2.450	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC[C@@H]2[C@H](O)C(C)(C)[C@@H]21	872254911	MZLJZZDFNLJODD-SXLOBPIMSA-N	359.514	2.192	10	10	FECE	
CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)c1ccc(N)cc1	877078193	HMWULTCPBSZDGV-AWEZNQCLSA-N	365.480	2.146	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N[C@@H]1C[C@H]2CCC[C@H]21	1119799547	XKKXBGNYDRPDGZ-KBAYOESNSA-N	373.522	2.161	10	10	FECE	
C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1cccc(N2CCOC2=O)c1	1147133658	SLXMWBUTZYSGEY-LBPRGKRZSA-N	356.378	2.474	10	10	FECE	
Cc1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)C3(CCOCC3)C2)c(O)c1O	1141145125	LMKIJKCMDHHIAU-INIZCTEOSA-N	371.437	2.176	10	10	FECE	
CC(C)(C)OC(=O)N1CCCN(C(=O)Cc2ccc(O)c(O)c2)CC1	1441930359	HZAOHXYRXGPDCT-UHFFFAOYSA-N	350.415	2.110	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NCc2ccc(F)c(F)c2O)C1	2116270657	RNCJUWBJVCFAFJ-GXTWGEPZSA-N	372.412	2.378	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1	1455885234	GYRHJIPQCGOBBT-ZDUSSCGKSA-N	350.415	2.156	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc([C@H]2CC(=O)NC(=O)N2)cc1	1453975495	JZGOZAOZXXJMPZ-UCEWNTHNSA-N	367.361	2.020	10	10	FECE	
Cc1cc(Cn2nnc(C(=O)NCc3ccc(N(C)C)c(F)c3)c2C)no1	1528618933	FMCPGIPOFSVLPY-UHFFFAOYSA-N	372.404	2.066	10	10	FECE	
C[C@H](NC(=O)c1ccc(CN(C)C)nc1)c1ccc(N2CCOCC2)cc1	1464527724	ICQPAZMRCBJWRM-INIZCTEOSA-N	368.481	2.471	10	10	FECE	
COCCNc1nc(CC(=O)NCc2cc(Cl)ccc2O)cs1	1557386063	CCTCVVUKVMSRHH-UHFFFAOYSA-N	355.847	2.419	10	10	FECE	
O=C1CSc2ncc(C(=O)NCc3ccc4cccnc4c3O)cc2N1	1638572921	AUSACOIVMHTYFA-UHFFFAOYSA-N	366.402	2.310	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2COCC[C@]2(C(=O)NCCCCN=[N+]=[N-])C1	2124518555	ZKXBJQGWKVAMSO-DYVFJYSZSA-N	367.450	2.467	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)OC[C@@H]2C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2124534639	IXMUZEPKDDXUHU-MQYQWHSLSA-N	365.434	2.170	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cccc3c(O)nccc23)c1	1635428437	LNRNMBOLYQGUJN-UHFFFAOYSA-N	373.390	2.270	10	10	FECE	
COc1ccnc(N2CCN(c3cc(OC)c(OC)cc3[N+](=O)[O-])CC2)c1	1651498163	MBUUWOKHTQBIKA-UHFFFAOYSA-N	374.397	2.342	10	10	FECE	
CC(=O)N1CCCN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)CC1	1596092187	UHRUKMIFXCVFCN-UHFFFAOYSA-N	370.501	2.068	10	10	FECE	
Cc1nc(O)c(Br)cc1C(=O)NCc1c(O)cccc1O	1597574467	MAQQCXJTZSMTER-UHFFFAOYSA-N	353.172	2.199	10	10	FECE	
CCc1nnc(Nc2ccn(C)n2)n1Cc1ccc(N2CCOCC2)cc1	1764969755	WIGJMKOMTILHEX-UHFFFAOYSA-N	367.457	2.203	10	10	FECE	
Cc1cc(C)c(O)c(CN2CCC(CC(=O)N3CCN(C)CC3)CC2)c1	164315071	CQNOCIDDBDUQCI-UHFFFAOYSA-N	359.514	2.385	10	10	FECE	
NS(=O)(=O)c1ccc(-c2ccc(/C=C3/SC(=S)NC3=O)o2)cc1	6221906	BRDCNBLXZOZMDS-KPKJPENVSA-N	366.445	2.083	10	10	FECE	
CN(C)c1ccc([C@H](NC(=O)CCc2cncnc2)c2nccn2C)cc1	1866148551	ASXNWKVHPMUQCD-IBGZPJMESA-N	364.453	2.115	10	10	FECE	
CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cc(O)c(O)c(O)c1	2132413332	MDOYTPPSEAAXSJ-GOSISDBHSA-N	368.430	2.473	10	10	FECE	
C[C@H](N[C@H]1COCC[C@@H]1NC(=O)OC(C)(C)C)c1c(O)cccc1O	2031533580	VNVKQKBWPOXYLX-AVGNSLFASA-N	352.431	2.431	10	10	FECE	
NC(=O)CCN(Cc1ccccc1)c1cc2c(cc1Cl)[C@H](N)C(=O)N2	2034756285	RCMNIISFYUVODE-KRWDZBQOSA-N	358.829	2.174	10	10	FECE	
CC(C)(C)OC(=O)N1CCN([C@H]2CCN(CCc3ccc(N)cc3)C2)CC1	2162957403	OIJUHTPOHNXDTQ-IBGZPJMESA-N	374.529	2.438	10	10	FECE	
CN1CCc2cc(CN[C@@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]34)ccc21	2178141615	BMXUNGIFTJZLNX-ZHALLVOQSA-N	373.497	2.403	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1	1334802823	RGCGRSDLULBLIC-LJQANCHMSA-N	364.442	2.113	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)C(=O)C[C@H]2C[C@H](N)C2)co1	2049781269	SRMWIZRTVBBQFF-DCAQKATOSA-N	351.403	2.140	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CN(c3cc4c(cc3N)OCCO4)C[C@@H]2C1	2106877534	KYQQTYGIGPPKAV-BETUJISGSA-N	361.442	2.343	10	10	FECE	
C[C@H](NCCNC(=O)c1ccco1)c1ccc(N2CCC(O)CC2)cc1	178488179	DGTFFLXJKQCMSK-HNNXBMFYSA-N	357.454	2.321	10	10	FECE	
CCN1CCN(c2cccc(NC(=O)c3ccc4nnn(C)c4c3)c2)CC1	184276114	PVCGCDQGVKGFNB-UHFFFAOYSA-N	364.453	2.363	10	10	FECE	
[N-]=[N+]=NCCN[C@@H](C(=O)O)c1cc(Br)c2c(c1)OCCO2	90256278	HBEYVOZMDNGMPR-SNVBAGLBSA-N	357.164	2.246	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N1CCC[C@@H](C2OCCO2)C1	255850586	XLFNNAZGTNZXGJ-GNJLHFKMSA-N	372.465	2.148	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3cn[nH]c3C(C)C)CC2)cc1	277637033	CGZPKSWGBXBSJJ-UHFFFAOYSA-N	371.485	2.094	10	10	FECE	
COC(=O)[C@H](NO)c1cc(Br)cc(Br)c1O	382630812	BCHUASLXLBVZIK-SSDOTTSWSA-N	354.982	2.110	10	10	FECE	
C[C@@H](NC(=O)C1CCCC1)C(=O)NCc1cc(Br)ccc1O	804735239	RJMKPPUMMHKOKU-SNVBAGLBSA-N	369.259	2.466	10	10	FECE	
CN1CCN(c2ccc(CN3CCc4c(cccc4C(N)=O)C3)cc2)CC1	827839378	RQKYYQDFIOLEDH-UHFFFAOYSA-N	364.493	2.096	10	10	FECE	
COC(=O)[C@]1(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)CCOC1	829947805	IXOZFVDUSOXLNV-FQEVSTJZSA-N	356.422	2.085	10	10	FECE	
Cc1cc(C(=O)CN2CCO[C@H]([C@@H](C)O)C2)c(C)n1-c1cccc(F)c1	839672598	SFQJJLSJPGBARV-QRWLVFNGSA-N	360.429	2.498	10	10	FECE	
CC1(C)CC[C@H](C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)O1	837710278	LEJGDGYZOIQNDX-OAHLLOKOSA-N	354.397	2.375	10	10	FECE	
COc1ccccc1N1CC[C@H](NC(=O)NCCc2ccc(N)cc2)C1	841857375	XFMAXJTVELDRSB-KRWDZBQOSA-N	354.454	2.398	10	10	FECE	
O=C1N[C@]2(C(=O)NCc3cc(Cl)cc(Cl)c3O)C[C@H]3C[C@H]1[C@H]2C3	846158966	BYFXHXFKJSEJQE-MSLFWYFASA-N	355.221	2.230	10	10	FECE	
COc1ccc(N2CCN(CCNc3ncnc(C)c3OC)CC2)cc1	848657746	GTUVPXKCZRUSIJ-UHFFFAOYSA-N	357.458	2.036	10	10	FECE	
C[C@@H](O)CNc1cc(NCc2cc(Br)ccc2O)ncn1	840306866	YFLHIAWLGLIWJN-SECBINFHSA-N	353.220	2.350	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H]3CCCc4c[nH]nc43)cc2)C1	857848908	PIWGPFHAGOULFV-AEFFLSMTSA-N	353.470	2.279	10	10	FECE	
COc1ccc(CNC(=O)NC[C@H](n2cccn2)C(F)(F)F)c(O)c1	858675698	GTYYZNBJCQLHJI-ZDUSSCGKSA-N	358.320	2.200	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3ccc(C)nc3C)C2)cc1	850536491	GVCPSNQJESILFE-OAHLLOKOSA-N	368.437	2.041	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN4CCC[C@@H]4C3)C2)cc1	852451715	BEBZFIIQSQDEJI-XYJFISCASA-N	358.486	2.200	10	10	FECE	
C[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccnn1C	869176080	NSNDDDYWGLADBI-HNNXBMFYSA-N	357.458	2.159	10	10	FECE	
CCOC(=O)[C@H](CC1CC1)NCc1ccc(N2CCN(C)CC2)c(F)c1	1119246683	BYIMJDUGVXEHSL-SFHVURJKSA-N	363.477	2.399	10	10	FECE	
CCOC(=O)[C@H](CCOC(C)(C)C)NC(=O)/C=C/c1ccc(O)c(O)c1	779544350	LITKVIGPHBTVJG-KGXGESDWSA-N	365.426	2.364	10	10	FECE	
COC(=O)[C@H](NCc1cc(Br)cc(F)c1O)c1ccnn1C	895083414	GBHTVTWGQHZWKP-GFCCVEGCSA-N	372.194	2.031	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3C[C@@H]4CC[C@H]3N4)cc2F)C[C@@H](C)O1	1341658177	FXAVAQAIATVEGC-CVFLJDHBSA-N	361.461	2.196	10	10	FECE	
CO[C@@]1(Cn2c(C3CC3)nnc2N(C)Cc2ccccc2O)CCOC1	1315275679	HCMASTYVLCKSSF-LJQANCHMSA-N	358.442	2.303	10	10	FECE	
O=C(C(=O)N(Cc1ccccc1O)C1CCCCC1)N1CC[C@@]2(O)C[C@H]2C1	1330336082	ZLJSDHSTKBKJOO-HRAATJIYSA-N	372.465	2.037	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc[n+]([O-])c3)cc2F)C[C@@H](C)O1	1346582786	CABZKCNBFWQOMX-ZIAGYGMSSA-N	374.416	2.394	10	10	FECE	
O=C(CCC(=O)c1ccc2c(c1)CCC(=O)N2)NCc1cccc(O)c1O	1455313471	BECFKFAHOIZCFG-UHFFFAOYSA-N	368.389	2.262	10	10	FECE	
Cc1cccc(C(=O)N2CCCN(C(=O)Cc3ccc(O)c(O)c3)CC2)c1	1464012477	CMCFIKMMNPLZBQ-UHFFFAOYSA-N	368.433	2.323	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@@H]1CCCCN1C(=O)c1ccccc1	1471661350	OFKANAMIFXEKSY-KRWDZBQOSA-N	354.406	2.409	10	10	FECE	
O=C(c1cccc(O)c1O)N1CCn2c(Cc3ccccc3F)nnc2C1	1640809308	NKMOAFJRUVFMJE-UHFFFAOYSA-N	368.368	2.075	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CCC2)n1Cc1nncn1C	1696699618	FOKAKPIUTQNVDK-UHFFFAOYSA-N	353.430	2.064	10	10	FECE	
C[C@H](Oc1ccc(N)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O	1860078575	OQZITBFOJOGXCL-SGTLLEGYSA-N	367.405	2.330	10	10	FECE	
CC(C)N(CCNS(=O)(=O)Cc1ccc(N)cc1)C(=O)OC(C)(C)C	2044245081	DKPOKMNXHYQBGS-UHFFFAOYSA-N	371.503	2.334	10	10	FECE	
C[C@H](CCNC(=O)CCOc1ccc(N)cc1)NC(=O)OC(C)(C)C	2044210472	YDTAQTMBSZLZCS-CYBMUJFWSA-N	351.447	2.457	10	10	FECE	
COc1cccc(O)c1CN[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC	2058676652	OXIRFGHTXBJEBJ-CZUORRHYSA-N	352.431	2.125	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])O1	2060633537	OTHLUGVSIDBBAL-YNEHKIRRSA-N	353.423	2.360	10	10	FECE	
CN(CCCN(C)c1cc2c(cc1N)OCC(=O)N2)C(=O)OC(C)(C)C	2106714824	RFFZFKVIWZEPHV-UHFFFAOYSA-N	364.446	2.293	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](F)CN1CC(=O)Nc1ccc(N)cc1	2106751048	PCXBFZYXXASTQB-DOMZBBRYSA-N	366.437	2.144	10	10	FECE	
CC(C)(C)OC(=O)N(Cc1ccccc1)C(C)(C)COc1nnc(=N)[nH]n1	2209173065	NOFKDWPEJIIPCN-UHFFFAOYSA-N	374.445	2.274	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2225794492	GIEFWKPNRAWPGE-FRRDWIJNSA-N	363.422	2.193	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2c2ccc3c(c2)OCCO3)C1	2226759171	GVHNCUXMUJTFKW-AWEZNQCLSA-N	362.426	2.018	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N1CCOc2ccncc21	2297806584	WRIVLEDENCHEFF-UHFFFAOYSA-N	351.406	2.357	10	10	FECE	
Cc1nsc(N2CCCN(C(=O)C=Cc3ccc(O)c(O)c3)CC2)n1	2307987994	WHEOEMPCEQSQIH-UHFFFAOYSA-N	360.439	2.010	10	10	FECE	
O=C(O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2cccc(Cl)c2)SC1=S	2314927408	FHBUGXAKHPJJIY-VIFPVBQESA-N	371.823	2.469	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]1CC(=O)N1CCc2cc(O)c(O)cc2C1	2341194840	ZODHWHIMQDPOAW-AWEZNQCLSA-N	362.426	2.382	10	10	FECE	
CN1C(=O)Cc2cc(N3CCN(C(=O)CCc4ccccc4)CC3)ccc21	62093758	QDGPFTIUIWUWOE-UHFFFAOYSA-N	363.461	2.487	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N2CCCN(C)c3ccccc32)c1	172427731	LPRVQOTUIGRCJN-CMDGGOBGSA-N	350.422	2.328	10	10	FECE	
C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)[C@H]2CCCC[C@@H]12	248395714	YYHAOCXWWCVNTK-ZLDLUXBVSA-N	352.456	2.414	10	10	FECE	
CCCC[C@@H](NC(=O)NCC)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	274886753	BZVWEDZPOUGEJS-TZMCWYRMSA-N	351.447	2.023	10	10	FECE	
CCn1cc(-c2nn(C)cc2C(=O)N2CCOc3nc(C)ccc32)cn1	475820726	YJYAUCGEFCBBIP-UHFFFAOYSA-N	352.398	2.046	10	10	FECE	
COc1nsc([C@@H](NCCCN=[N+]=[N-])C(=O)O)c1Br	690070381	YHPAOUOUWXPHAM-ZCFIWIBFSA-N	350.198	2.330	10	10	FECE	
Cc1cc(CCNC(=O)C(=O)Nc2cnn(C)c2)c(C)n1-c1ccccc1	762404169	FUUSIXSDLABKIX-UHFFFAOYSA-N	365.437	2.125	10	10	FECE	
CC(=O)N1CCCC[C@@H]1C(=O)NCc1cc(Br)ccc1O	804739227	BRDBIAFVOBEKTL-CYBMUJFWSA-N	355.232	2.172	10	10	FECE	
COC(=O)c1c(F)ccc(NC(=O)C(=O)N(C)Cc2ccccc2O)c1C	810352229	ABSFGPVAAHFOBP-UHFFFAOYSA-N	374.368	2.223	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3CC4(CCOCC4)C3)C2)cc1	824681960	SIJSHUUYWVHMNX-INIZCTEOSA-N	359.470	2.344	10	10	FECE	
COC(CN(CCCO)C(=O)Cc1cc(C)n(-c2ccccc2)c1C)OC	832401302	ZJWVTOKFMMDPAH-UHFFFAOYSA-N	374.481	2.467	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2[nH]nnc2C(=O)NC2CC2)cc1	839446944	RZNXCIJZXWOEEF-UHFFFAOYSA-N	364.409	2.357	10	10	FECE	
C[C@H]1CCc2nc(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)cn2C1	857962086	TWBIITFTHYQSEE-HNNXBMFYSA-N	368.481	2.357	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc(S(C)(=O)=O)oc1C	859420469	YIAQBBVJATYADO-UHFFFAOYSA-N	350.440	2.296	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CCCC34CC4)nc12	860176979	LAXNPQKWRLAWJJ-ZDUSSCGKSA-N	359.382	2.235	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)c2cncc(N3CCCC3=O)c2)c1	860242050	OLWOYPUPDHCXDX-LBPRGKRZSA-N	355.394	2.414	10	10	FECE	
COC(=O)[C@@H]1O[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C[C@H]1C	864786049	MDFKERQERGLOJK-FSPWUOQZSA-N	360.454	2.210	10	10	FECE	
O=C1CCCCN(CC(=O)N(Cc2ccco2)Cc2ccccc2O)C1=O	866595935	WMPIDGQSLPQRQI-UHFFFAOYSA-N	370.405	2.096	10	10	FECE	
Oc1c(F)cc(Br)cc1CN1CC[C@@H](Cn2ccnn2)C1	895229442	VOWIPWOVAXHTPK-SNVBAGLBSA-N	355.211	2.407	10	10	FECE	
CCOC(=O)c1ccc[n+]([O-])c1/C=C/c1ccc(N2CCN(C)CC2)cc1	901538711	NNIXCXSZRJHNTE-DHZHZOJOSA-N	367.449	2.419	10	10	FECE	
Cn1nnc2c1C[C@H](NCc1cc(Br)cc(F)c1O)CC2	922992162	PLHLWUPQHHCXTO-SNVBAGLBSA-N	355.211	2.069	10	10	FECE	
COC(=O)[C@]1(O)CCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1	1153270390	UKONQBUJICQUNC-FQEVSTJZSA-N	356.422	2.153	10	10	FECE	
Cc1cc(CCNC(=O)C(=O)NCc2ccon2)c(C)n1-c1ccccc1	1330363753	IJJYVZILPPLDCR-UHFFFAOYSA-N	366.421	2.057	10	10	FECE	
C[C@H](CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)CC(F)F	1332211612	PMFNTXADFQVGFJ-LBPRGKRZSA-N	353.413	2.093	10	10	FECE	
C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)NCC(F)(F)F	1338309319	KZKCIYIVVZWIFA-LURJTMIESA-N	362.329	2.109	10	10	FECE	
CON(C)c1nnc([C@H]2CCOC2)n1CCCSc1nccs1	1505095418	KPAVOJOBNSCJIP-NSHDSACASA-N	355.489	2.419	10	10	FECE	
Cc1nnc(N2C[C@@H](C)O[C@H](C)C2)n1Cc1ccc(N2CCOCC2)cc1	1511814145	XMWKQZSBGMSZMC-HZPDHXFCSA-N	371.485	2.085	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)c3ccc(NC(C)=O)cn3)CC2)cc1	1545931304	DHJYEGJCDSDECR-UHFFFAOYSA-N	368.437	2.401	10	10	FECE	
Cn1cc([C@H]2C[C@H](NC(=O)c3ccc(N=NC(N)=O)cc3)CCO2)cn1	1569692048	CFIBLIDDBNVMKH-HUUCEWRRSA-N	356.386	2.233	10	10	FECE	
CC(C)c1oncc1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	1625270451	DAWRSRPMFORCMR-OAHLLOKOSA-N	370.453	2.430	10	10	FECE	
O=C(Cc1ccc(NC(=O)C(F)(F)F)cc1)NCc1cccc(O)c1O	1637046595	UKISAJUHXQWXBZ-UHFFFAOYSA-N	368.311	2.458	10	10	FECE	
C[C@H](NC(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1)c1ccccc1O	1675603932	QKXNEHDEIOPVPN-LBPRGKRZSA-N	369.487	2.003	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(-c2cnccn2)n1C[C@H]1CCOC1	1711095431	MDBVNLZANXUISG-CQSZACIVSA-N	366.425	2.114	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@@H]2CCOC2)n1C[C@](C)(O)C1CC1	1729421077	YRGHWVUBVVLRPK-QRWLVFNGSA-N	372.469	2.285	10	10	FECE	
CC(=O)N1CCC[C@H](Cn2c(C)nnc2N(C)Cc2ccccc2O)C1	1749819326	VYVZBPYYVBDIJQ-INIZCTEOSA-N	357.458	2.187	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CC2)n1C[C@@H]1NC(=O)CC1(C)C	1767112373	ZLFKFECHSIQJTQ-INIZCTEOSA-N	369.469	2.412	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)c2ccc(O)nn2)N2CCCCC2)cc1	1866108234	GGXZUFHCTRUBRZ-SFHVURJKSA-N	369.469	2.205	10	10	FECE	
COc1ccc(Br)c(CN[C@@H](C)CC[S@](C)=O)c1O	1964051811	GWIYQLHZDCXBHG-UGZDLDLSSA-N	350.278	2.410	10	10	FECE	
COc1cccc(CNCC2(OC)CN(C(=O)OC(C)(C)C)C2)c1O	1967740372	KMMPSCNBVOMRLK-UHFFFAOYSA-N	352.431	2.126	10	10	FECE	
C[C@H]1C[C@@H](CNCc2cccc(Br)c2O)CCS1(=O)=O	1967903169	XJNCQQCGIZGWHW-QWRGUYRKSA-N	362.289	2.458	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CC[S@](=O)(=NCc2cc(N)ccc2O)C1	2044674041	CEPXLXFHYIQGKI-XELLLNAOSA-N	369.487	2.487	10	10	FECE	
CCc1cccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1O	2052712236	OFCQVVLEZMDSQX-JKSUJKDBSA-N	350.459	2.415	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N[C@@H](C)c1c(O)cccc1O	2058679591	JKVBAIBZKXNPMW-YWPYICTPSA-N	352.431	2.383	10	10	FECE	
CN1CCCc2cc([C@H](O)[C@@](C)(NC(=O)OC(C)(C)C)C(=O)O)ccc21	2121964843	CLVYAESFUDUNRS-HNAYVOBHSA-N	364.442	2.470	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2ccccc2O)COCC1(C)C	2124148441	GZYYKWLUORWCQT-AWEZNQCLSA-N	364.442	2.423	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCCN(CC(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1	2124505386	KXWNDWNTWMBYJG-KGLIPLIRSA-N	366.466	2.134	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2124541311	QZJQOVSIJJYTTI-MGPQQGTHSA-N	367.450	2.465	10	10	FECE	
C[C@@H](N=c1nc([C@@H](C)NC(=O)OC(C)(C)C)[nH][nH]1)c1ccc(O)cc1O	2130118655	GTQJZKLCVWUIQD-NXEZZACHSA-N	363.418	2.397	10	10	FECE	
C[C@H]1[C@@H](C)N(c2ccc(CN)c(Br)c2F)CCS1(=O)=O	2170279890	PDJQPNJMPPVNAU-BDAKNGLRSA-N	365.268	2.059	10	10	FECE	
O=C(NC[C@@]12CC[C@H]1CN(Cc1ccccc1)C2)c1cc(O)c(O)c(O)c1	2201252487	YNOVWYBUPSIAHY-HRAATJIYSA-N	368.433	2.445	10	10	FECE	
COc1ccc(N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c(OC)c1	2219646160	YJKGIKPROHTZIF-CHWSQXEVSA-N	352.431	2.168	10	10	FECE	
CCc1ccc(OCCCNC=C2C(=O)NC(=O)N(C(C)(C)C)C2=O)cc1	2297314396	MVICWFPMASEXGY-UHFFFAOYSA-N	373.453	2.368	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N1CC[C@@](O)(C(F)(F)F)C1	2297755165	BSWGBJCXJQLEGU-KRWDZBQOSA-N	370.371	2.062	10	10	FECE	
Cc1ccc(N2C(=O)NC(=O)C(=CNc3c(C)n[nH]c3C)C2=O)c(C)c1	2313548191	OIKWRTPNDWAUQC-UHFFFAOYSA-N	353.382	2.222	10	10	FECE	
Cc1nn(C)cc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	179107448	GNSCJMWSHXSBLJ-UHFFFAOYSA-N	368.393	2.195	10	10	FECE	
CC(C)N1CCO[C@@H](CN2CCN(Cc3cc4c(cc3O)CCC4)CC2)C1	117325517	HMBOQIDDNWZNDK-NRFANRHFSA-N	373.541	2.108	10	10	FECE	
C[C@@H](NC=C1C(=O)NC(=S)NC1=O)c1ccc(-c2ccccc2)cc1	121035493	SUVYFSBVVRAYMP-GFCCVEGCSA-N	351.431	2.419	10	10	FECE	
C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)C(=O)N1CCCCC1	194675297	FTUBFPMABJZPPT-CYBMUJFWSA-N	350.438	2.092	10	10	FECE	
O=S(=O)(c1ccccc1)N1CCN(Cc2cc3c(cc2O)CCC3)CC1	42910872	PHUZNGBGMLLJHV-UHFFFAOYSA-N	372.490	2.387	10	10	FECE	
CCn1cc([C@H](C)NCCN2CCN(c3ccc(OC)cc3)CC2)cn1	268801188	GEUCXLFXVIQUEI-KRWDZBQOSA-N	357.502	2.384	10	10	FECE	
COC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)s1	276195938	HUSJOQYDKLEEGA-UHFFFAOYSA-N	370.452	2.461	10	10	FECE	
Cc1cc(Cl)cc(CN2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c1O	289570203	JLXYLMKHJGRLSH-CXAGYDPISA-N	351.834	2.307	10	10	FECE	
Cc1noc(C)c1CCCNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	806484881	JNFOICCESXKXEC-CYBMUJFWSA-N	372.469	2.284	10	10	FECE	
Cc1cc(CC(=O)NCc2nnnn2CC2CC2)c(C)n1-c1ccccc1	832329954	IPKHSPDPJMFMRW-UHFFFAOYSA-N	364.453	2.350	10	10	FECE	
COC(=O)[C@@]1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCSC1	901229394	HQDKZKFUKZPZBP-OAHLLOKOSA-N	353.421	2.091	10	10	FECE	
CCC(=O)c1ccc(OCC(=O)OCC(=O)c2ccc(O)c(O)c2)cc1	916591031	ULFUSAVHJOOXNX-UHFFFAOYSA-N	358.346	2.495	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCC2(COC)CC2)cc1	848630562	WDEGUNROSPHYPO-UHFFFAOYSA-N	361.486	2.034	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CNC(=O)NC3CCCCC3)C2)cc1	855230590	PWAUNHMZYYGPKG-MRXNPFEDSA-N	374.485	2.022	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)NC(=O)c3ccccc3)C2)cc1	855228748	FTXABQCHIXDMJK-NVXWUHKLSA-N	367.449	2.209	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)cc1	855228917	HSNUFLDPSPJFSN-HZPDHXFCSA-N	371.481	2.181	10	10	FECE	
CN(C)c1cc(F)c(CN2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1F	862423852	ZNZRKWMZCWYBGD-JKSUJKDBSA-N	374.435	2.381	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)N[C@@H]1[C@@H]2C[C@H]3[C@H](CO[C@H]31)C2	868909184	FPYCUVJSZYABSH-UIQMYNOKSA-N	367.243	2.377	10	10	FECE	
C[C@@H](NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)C(C)(C)O	769058350	XNTOQQMBHUPMPQ-MRXNPFEDSA-N	374.529	2.177	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cccnc1OCCO	1136025327	GHKMIBJLAJNFPI-UHFFFAOYSA-N	355.438	2.325	10	10	FECE	
Cc1ccn([C@@H](C)CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)n1	893607737	KGPUOYVMXDJENY-KRWDZBQOSA-N	355.486	2.211	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)N3CCN(c4nc[nH]n4)CC3)c2C)c1	1143869665	IAXDKWRLKROFPU-UHFFFAOYSA-N	364.453	2.483	10	10	FECE	
COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NC(=O)Cc1ccc(O)c(O)c1	1157711181	AEJNRDBNARGZMM-BBRMVZONSA-N	357.406	2.177	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCCCCn1cc(Br)cn1	1297453598	BKQWYVWQXBINON-UHFFFAOYSA-N	368.231	2.196	10	10	FECE	
C[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)[C@H](C)[C@H]1NC(=O)C(F)(F)F	2118182761	YSOICQXHSIICTK-KKFJDGPESA-N	360.332	2.015	10	10	FECE	
C/C(=C/C(=O)N1CCOc2ncc(Br)cc21)c1cnccn1	1536689941	FDDHUPGOTSYALL-POHAHGRESA-N	361.199	2.463	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NCc3cc(F)cc(F)c3O)[C@H]2C1	2121657008	LMMBRIOIFGSIHL-YUELXQCFSA-N	370.396	2.394	10	10	FECE	
CN1CCCc2cc([C@@H](O)[C@](C)(NC(=O)OC(C)(C)C)C(=O)O)ccc21	2121964841	CLVYAESFUDUNRS-BEFAXECRSA-N	364.442	2.470	10	10	FECE	
CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)cc1C	1709918596	JPJLEHOXWSRVFT-INIZCTEOSA-N	356.474	2.108	10	10	FECE	
Cn1nccc1[C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCO1	1627723469	LTJYAJKHDSQABX-DZGCQCFKSA-N	356.386	2.233	10	10	FECE	
Cc1cccc2c(=O)n(CC(=O)NCc3ccc4cccnc4c3O)cnc12	1630528835	XBUSTDSUJWBZLQ-UHFFFAOYSA-N	374.400	2.275	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1CC(=O)NCc1ccccc1O	2124257563	UXCIIMAJXDYLRS-CABCVRRESA-N	364.442	2.328	10	10	FECE	
CN(C)CCOc1ccc(CCC(=O)NCc2c(O)cccc2O)cc1	1597574221	KQXDIXWQRHYDGU-UHFFFAOYSA-N	358.438	2.287	10	10	FECE	
CC[C@](C)(O)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1O	1763364307	BBSMHBIXNHFQEE-IBGZPJMESA-N	368.441	2.238	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)NCC(C)(C)OCC3CC3)cc2)CC1	1683397562	YOONQARPAKHONT-UHFFFAOYSA-N	374.529	2.443	10	10	FECE	
CC[C@H](C)[C@H](CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1)OC	1681299094	WRYMWYQVDZGZTN-LPHOPBHVSA-N	362.518	2.299	10	10	FECE	
CC(C)OC(=O)c1cccc(NC(=O)c2nnn(-c3ccc(N)cc3)n2)c1	1857879167	WTWYNTOCHKOAIY-UHFFFAOYSA-N	366.381	2.062	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(NCc3cc(F)ccc3O)(CO1)C2	1922663511	XTINIIFARMFJSR-UHFFFAOYSA-N	352.406	2.447	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)O[C@H]1CCCNC1	1951941109	SAVWIHVMJGFFHV-BBRMVZONSA-N	352.431	2.260	10	10	FECE	
COc1cccc(O)c1CNCCN(C[C@H](C)O)C(=O)OC(C)(C)C	2042571229	SOKZEGICMVCFKU-ZDUSSCGKSA-N	354.447	2.108	10	10	FECE	
C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1ccc(O)c(O)c1	2054414211	NXXTUYPQXQKBDT-DGCLKSJQSA-N	350.415	2.473	10	10	FECE	
CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1[C@@H](O)[C@H](N)c1ccccc1O	2076985433	XHEQFUMSDOUKRF-IACUBPJLSA-N	358.385	2.398	10	10	FECE	
Nc1ccc(OCC(=O)N[C@@H]2CCOC[C@@H]2OCc2ccccc2)cc1	2090345141	OUNPVAIHSUZDQB-MOPGFXCFSA-N	356.422	2.138	10	10	FECE	
CN1CCc2cc(CN[C@H]3COCCN(C(=O)OC(C)(C)C)C3)ccc21	2095847264	IXYRLMWOHCBKQZ-QGZVFWFLSA-N	361.486	2.404	10	10	FECE	
CN(CCCNCc1ccc(O)cc1O)CCCNC(=O)OC(C)(C)C	2096960596	NHLZIRHLVZQNSD-UHFFFAOYSA-N	367.490	2.424	10	10	FECE	
CN1CCc2cc(CN[C@@H]3COC[C@@H]3CNC(=O)OC(C)(C)C)ccc21	2097858597	QQQOMPTXKZPWFV-DLBZAZTESA-N	361.486	2.308	10	10	FECE	
COc1cc(N)c(N2C[C@H](NC(=O)OC(C)(C)C)[C@H](OC)C2)cc1OC	2122658056	XGFWSHHUPGHTIW-BLLLJJGKSA-N	367.446	2.014	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2218746614	RDFPXPZDOUFVIK-XQQFMLRXSA-N	353.423	2.360	10	10	FECE	
CO[C@H](C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-])C1CN(C(=O)OC(C)(C)C)C1	2218740253	IJXDSKCGHQRYCG-UPJWGTAASA-N	353.423	2.216	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])C1	2278989699	SDAHAEBXFKGLQI-MRHIQRDNSA-N	365.434	2.360	10	10	FECE	
CCCCc1ccc(N(C)C(=O)C=Cc2cn(C)c(=O)n(C)c2=O)cc1	2297777006	KPJKUOPPRZELBK-UHFFFAOYSA-N	355.438	2.103	10	10	FECE	
COc1ccc(CN[C@]23CO[C@H](C2)[C@@H](NC(=O)OC(C)(C)C)C3)c(O)c1	2334241881	QUZYSFNGXMFEDQ-GMBSWORKSA-N	364.442	2.315	10	10	FECE	
CC(C)Oc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(C)C1=O	59860512	UXASWBFAPOFFLO-YRNVUSSQSA-N	367.199	2.328	10	10	FECE	
COc1cc(O)c(CN2CCC(N(C)c3cccnn3)CC2)cc1OC	180080165	RFKGTBNBZXYPEX-UHFFFAOYSA-N	358.442	2.300	10	10	FECE	
Cc1ccc(C(=O)Nc2cccc(Cn3cccnc3=O)c2)c(O)c1O	182136346	ZOEZFPAKPGWHMF-UHFFFAOYSA-N	351.362	2.264	10	10	FECE	
CC(C)C[C@H](CO)N(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	188443198	SGBJEIHASDWOLI-MRXNPFEDSA-N	367.465	2.211	10	10	FECE	
O=C1CN(Cc2cc(Br)ccc2O)CCN1CC(F)(F)F	809711066	ISFKBAONNZTFHL-UHFFFAOYSA-N	367.165	2.361	10	10	FECE	
CN(C[C@@](C)(O)c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	819949791	JRARDHBRLZXGPA-GOSISDBHSA-N	357.366	2.270	10	10	FECE	
C[C@@H](NCc1c(I)cnn1C)c1cc(O)ccc1O	2133347602	ZVZYBFWRSWFVFA-MRVPVSSYSA-N	373.194	2.287	10	10	FECE	
CN(C)c1ccc(CNC(=O)CCC(=O)Nc2nnc(C3CC3)o2)cc1	727752826	ZCXLLSHGXVEFOI-UHFFFAOYSA-N	357.414	2.048	10	10	FECE	
CC(C)N(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)N(C)C	586233756	KKKLSXPOFSBUCI-UHFFFAOYSA-N	372.446	2.483	10	10	FECE	
CNC(=O)c1ccc(/C=C\C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1	588432732	GZYMQVSZPZGVGW-HKBVPSITSA-N	354.406	2.218	10	10	FECE	
C[C@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H](C)N	841783109	WGDMYXAZYGCNTP-NEPJUHHUSA-N	356.417	2.292	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CCc3cc(Cl)nnc3C2)c1O	843415078	BKYADKOQARDVLA-UHFFFAOYSA-N	350.762	2.311	10	10	FECE	
COc1ccc(N2CCN(CCN[C@@H]3CCOC[C@H]3C(C)C)CC2)cc1	924832184	PSOUETMQTNOUSZ-LEWJYISDSA-N	361.530	2.468	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC[C@H]1CC(=O)N(C)C1	922912357	FZDCDZSLKQPZQZ-CVEARBPZSA-N	360.502	2.160	10	10	FECE	
C[C@@H]1OC[C@]2(CC[C@H](CN3C(=O)CN(Cc4ccccc4O)C3=O)O2)[C@@H]1C	925145383	MHRDQHQRFXEDFG-FKEXNYPISA-N	374.437	2.129	10	10	FECE	
O=C(NCc1cc(NC(=O)[C@H]2CCC=CO2)ccc1O)[C@H]1CCC=CO1	923121583	GRHAZMHFQRPBOM-IAGOWNOFSA-N	358.394	2.332	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@]3(O)CCc4ccccc4C3)C2)cc1	855225409	MVBYJFXTHGSXLS-AVRDEDQJSA-N	366.461	2.310	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc3oc(=O)n(C)c3c2)c1	858900561	TZENJGACHVXSBW-NSHDSACASA-N	371.393	2.406	10	10	FECE	
COc1ccc(N2CCC(NCc3cn(C[C@@H]4CCOC4)nn3)CC2)cc1	865443727	CDSFNMAIBSBIDO-INIZCTEOSA-N	371.485	2.082	10	10	FECE	
COCCn1ncc(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)c1C	864149744	NDOAIPSJAGFVHC-MRXNPFEDSA-N	372.469	2.103	10	10	FECE	
O=[N+]([O-])c1cc(NS(=O)(=O)CCOc2ccc(F)cc2)ccc1O	775287984	GXKJSTOUHUIFOQ-UHFFFAOYSA-N	356.331	2.260	10	10	FECE	
O=S1(=O)CCN(c2ccc(CNCC3CCSCC3)cc2)CC1	877030272	DNBJQZBGQHCVNJ-UHFFFAOYSA-N	354.541	2.154	10	10	FECE	
Cn1c(=O)sc2cc(/C=C3\C(=O)NN(c4ccccc4)C3=O)ccc21	773140202	PUWOBTOZIUMLOA-UKTHLTGXSA-N	351.387	2.061	10	10	FECE	
O=S(=O)(Nc1cccc2c1OCC[C@@H]2O)c1cccc2nsnc12	795347796	DBLKOGLUXOIDFU-LBPRGKRZSA-N	363.420	2.308	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c(C)nnc1N1CCO[C@@]2(CCOC2)C1	1289418681	ADKSPQLDRSCQSD-FQEVSTJZSA-N	371.485	2.005	10	10	FECE	
C[C@](O)(CSc1cccc(F)c1)C(=O)NCc1cccc(O)c1O	1455316048	NERCZLJBQLQPTL-KRWDZBQOSA-N	351.399	2.396	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3CC(N[C@H]4CCOC4)C3)c2C)cc1	1456294139	GTPNXZRCLJDDSI-INIZCTEOSA-N	369.465	2.306	10	10	FECE	
COC(=O)[C@@H]1CCN(c2nnc(C)n2Cc2ccc3c(c2)CCCN3C)C1	1554528806	JFNBWJCNEUVPIA-QGZVFWFLSA-N	369.469	2.017	10	10	FECE	
CO[C@@H](C(=O)N1CCC(CN=[N+]=[N-])CC1)C1CN(C(=O)OC(C)(C)C)C1	2124531941	HFWJYQLLUJUXJA-CQSZACIVSA-N	367.450	2.417	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOCC[C@@H]1C(=O)NCc1ccccc1O	2124289873	RRUYEFXCVDENAA-LSDHHAIUSA-N	364.442	2.328	10	10	FECE	
COc1cc(C(=O)N[C@@H](C)CNC(=O)[C@@H]2C[C@H]2CC(C)C)cc(OC)n1	1720941182	SCXGXBUGGZZYMZ-GZBFAFLISA-N	363.458	2.016	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1	1637122889	QWMQXZZZKMKVME-CQSZACIVSA-N	372.396	2.406	10	10	FECE	
CC(=O)N[C@@H](CC(=O)NCc1ccc(O)cc1O)c1ccc(F)cc1F	1643103637	DELMBMWHASFDMN-INIZCTEOSA-N	364.348	2.260	10	10	FECE	
C[C@H](NCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1O	1644183099	FPISDQLNUZSNPX-LBPRGKRZSA-N	371.393	2.162	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	1643879155	COSJKZQYZZMAQD-GFCCVEGCSA-N	360.797	2.421	10	10	FECE	
C[C@H](CC(=O)NCc1cc(O)ccc1O)n1cc(Br)cn1	1651225250	BUJMERJXYAYEFA-SECBINFHSA-N	354.204	2.324	10	10	FECE	
COc1cc(C)c(C)cc1S(=O)(=O)NC(=O)Oc1ccc(N)cc1	1858616903	WFIYZHARTKIISQ-UHFFFAOYSA-N	350.396	2.372	10	10	FECE	
CCN(CC)C(=O)COc1c(C)n(CCOc2ccc(N)cc2)ccc1=O	1857919639	QFDPMHJEEWEECZ-UHFFFAOYSA-N	373.453	2.065	10	10	FECE	
CN1CCc2cc([C@H](CN)N3CC(N(C)Cc4ccccc4)C3)ccc21	1914218218	UKSCVPIJQMXNMG-QFIPXVFZSA-N	350.510	2.495	10	10	FECE	
COC[C@@](O)(CCCNC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O	1920097995	LLURYCWZFATVRO-QAPCUYQASA-N	354.447	2.074	10	10	FECE	
Cc1ncc(I)c(=O)n1CCCc1ccc(N)cc1	122735182	TZPRMLONKBWWFW-UHFFFAOYSA-N	369.206	2.371	10	10	FECE	
O=S1(=O)C=C[C@@H](NCc2cc(Cl)cc(Br)c2O)C1	708175982	BJXDOTFSSUBOOJ-SECBINFHSA-N	352.637	2.208	10	10	FECE	
C[C@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cc(O)ccc1O	397399933	GXPQLBYRCUEIMD-GXTWGEPZSA-N	352.431	2.384	10	10	FECE	
CN[C@@H](c1ccc(N(C)C)cc1)[C@H](CN(C)C)NC(=O)OC(C)(C)C	2044748160	NMCNAELIOGJLEG-IRXDYDNUSA-N	350.507	2.468	10	10	FECE	
Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)C(=O)C[C@H]1C[C@H](N)C1	2049782634	KZGFWSXDQSFHTH-XYPYZODXSA-N	367.471	2.355	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2060633333	MNDHZQGGFFCQIN-OLZOCXBDSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1CC(=O)N1CC[C@H](CN=[N+]=[N-])C1	2067684069	FGHCYCXMRSDUIB-JHJVBQTASA-N	353.423	2.075	10	10	FECE	
CCN1CCc2cc([C@H](N)[C@H](O)C3(NC(=O)OC(C)(C)C)CC3)ccc21	2106854143	ZLAFLGPJHQQNHA-IRXDYDNUSA-N	361.486	2.487	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(C1)CN(c1cc3c(cc1N)NC(=O)CC3)C2	2106841406	NFYHOROIXSNEFS-UHFFFAOYSA-N	358.442	2.211	10	10	FECE	
CN[C@@H](c1ccccc1O)[C@]1(COC)CN(C(=O)OC(C)(C)C)CCO1	2090047585	LXAQYQKXQHREGB-QFBILLFUSA-N	366.458	2.305	10	10	FECE	
CN1C(=O)[C@H](N)c2ccc(N3CC[C@@H](N(C)Cc4ccccc4)C3)cc21	2095870003	JNVUUPQAKCQAPG-YLJYHZDGSA-N	350.466	2.374	10	10	FECE	
C[C@H](O)CN(CCCOc1ccc(N)cc1)CCNC(=O)OC(C)(C)C	2269834615	JLXBYIAAYZCLMB-HNNXBMFYSA-N	367.490	2.245	10	10	FECE	
CSc1ncc(CNC(=O)c2cc(NN)ncc2Br)s1	2284726647	LFECLFBPDPLVIP-UHFFFAOYSA-N	374.289	2.238	10	10	FECE	
COc1ccc(N2CCN(C(=O)C=Cc3ccc(C(N)=O)cc3)CC2)cc1	2297767877	OXJCLIKHJIGRLZ-UHFFFAOYSA-N	365.433	2.156	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3C[C@H]4OCCC[C@H]34)CC2)cc1F	187898641	DKAMUKONOWWEAD-QGPMSJSTSA-N	363.433	2.233	10	10	FECE	
C[C@H]1CN([C@H](CNC(=O)c2cccc(O)c2O)c2cccs2)CCO1	248765442	RPCUGRCLTGZIRH-GXTWGEPZSA-N	362.451	2.351	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1	364938489	COVDANHEQLKFLA-XHSDSOJGSA-N	368.437	2.342	10	10	FECE	
COc1ccc(N2CCC(N[C@@H](C)C3(S(C)(=O)=O)CC3)CC2)cc1	370738883	IPBYJIZXLBMOCP-AWEZNQCLSA-N	352.500	2.219	10	10	FECE	
COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cccc(O)c2O)cc1	376556285	MCOYRMVDCDKYLT-HNNXBMFYSA-N	356.378	2.350	10	10	FECE	
COc1cc(C)cc(CNC(=O)C(=O)NCc2ccc(N(C)C)cc2C)c1	807096146	ASNIINNTOXWQAA-UHFFFAOYSA-N	369.465	2.311	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN2c2ccc(N)cc2)CC1	2163115796	KNQLJSCQRPEBHR-QGZVFWFLSA-N	374.485	2.317	10	10	FECE	
COc1nnc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)s1	801747368	OVRPOXRMVFPYNX-LLVKDONJSA-N	363.443	2.266	10	10	FECE	
COc1cc(Br)cc(CN2CC[C@H](O)C(F)(F)C2)c1O	826959035	WZXMLQOADPJWRO-NSHDSACASA-N	352.175	2.365	10	10	FECE	
Cc1cc(CC(=O)NCCN2CCO[C@H](C)C2)c(C)n1-c1ccccc1	825161063	YSMTWTCDPNVBJS-QGZVFWFLSA-N	355.482	2.474	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@@H](CCF)C2)cc1F	827575563	QNGTUVAAJVQXNS-ZDUSSCGKSA-N	353.413	2.106	10	10	FECE	
Cc1cn(C)nc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	826065000	SERIUCBFBLKJSQ-UHFFFAOYSA-N	357.458	2.259	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cccc4nc(CO)[nH]c34)C2)cc1	912292970	QZSXCHSLEXTMDS-ZDUSSCGKSA-N	366.421	2.073	10	10	FECE	
Cn1nccc1[C@@H]1COCCN1Cc1cc(Br)ccc1O	846115270	JQPOPGMYRIKUCK-AWEZNQCLSA-N	352.232	2.462	10	10	FECE	
COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCN(c3ccc(OC)cc3)C2)n1	853761319	RYLWVASBEWXTTK-LBPRGKRZSA-N	372.381	2.476	10	10	FECE	
Cn1cc(C(C)(C)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cn1	752427052	XRHDRFHYHPLMNE-UHFFFAOYSA-N	370.497	2.223	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC2CC(CC(N)=O)C2)cc1	928045224	CJHJGYNZWSVEEJ-UHFFFAOYSA-N	367.449	2.219	10	10	FECE	
COC(=O)c1ccc(O)c([C@@H](C)NCCN2C[C@@H]3CCCCN3C2=O)c1	850562831	PLPPCEPKXHURDW-HIFRSBDPSA-N	361.442	2.120	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cccc(-n4ccnn4)c3)C2)cc1	855234286	WIQASOGZCPGIJP-MRXNPFEDSA-N	363.421	2.285	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H](C)OC[C@@H]3CCCCO3)C2)cc1	855229209	IRZOOPVWXYMOIV-BXWFABGCSA-N	362.470	2.364	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2cc(Br)n[nH]2)cc1	855020221	JUGXUZOOJYYAIY-UHFFFAOYSA-N	367.247	2.389	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)C2)cc1	855229056	JTXXXMNOKXFEJT-KXBFYZLASA-N	366.417	2.172	10	10	FECE	
CN(C)Cc1cc(C(=O)NCc2cc(Br)ccc2O)no1	1117269538	QAVTZVQMHXJEBX-UHFFFAOYSA-N	354.204	2.134	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)[C@H]3CCC[C@@H](F)C3)CC2)cc1	1118155180	NFUOJAMXHGHHPR-DLBZAZTESA-N	363.477	2.462	10	10	FECE	
CC(C)c1n[nH]cc1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	770259169	KPZQPHIWORBZEQ-HNNXBMFYSA-N	369.469	2.165	10	10	FECE	
CN(C)c1ccc(CNC(=O)CC[C@H]2CC[C@H](C3OCCO3)O2)cc1F	895979925	BFKRJPOIKFRLJO-RHSMWYFYSA-N	366.433	2.209	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1cnc(OCc2ccccc2)cn1	1303225379	GZOOFPJVJCMGJK-UHFFFAOYSA-N	351.362	2.397	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C(C)(C)NC(=O)COC(C)(C)C	1157102567	LNGNVUISZWJZNK-UHFFFAOYSA-N	371.474	2.204	10	10	FECE	
COc1ccccc1C[C@H](C)N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1	1261858632	XERDLXFPZOFZBU-AWEZNQCLSA-N	368.433	2.333	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)cc1	1449075112	OJVGSHBTIQSBSQ-AWEZNQCLSA-N	373.800	2.329	10	10	FECE	
Cn1ccnc1[C@@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCO1	1299249037	ZLNCEFQCTCJVEF-KBPBESRZSA-N	356.386	2.233	10	10	FECE	
COc1cc(OC)cc([C@@H](O)CNC(=O)c2ccc(N=NC(N)=O)cc2)c1	1465896257	BNUVMVLTHWKDEF-INIZCTEOSA-N	372.381	2.330	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NC(=O)Nc3ccc(N)cc3)[C@H]2C1	2121653974	OFVOWDZKEQDSOQ-KFWWJZLASA-N	362.430	2.025	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)c1cc2n(n1)CCC[C@@H]2O	1625969443	ANWCWNLAUQNWDI-SFHVURJKSA-N	372.494	2.194	10	10	FECE	
CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)c1cc2cc(O)c(O)cc2s1	1556576747	ZNQIQDSGOBJGKS-BONVTDFDSA-N	353.440	2.200	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2124537486	YQZKIBSTUMCPMY-MELADBBJSA-N	367.450	2.417	10	10	FECE	
COc1ccc(-n2nnc(C(=O)NCc3c(O)cccc3F)c2C)cc1	1638862601	CQJMAUFOHFMXMJ-UHFFFAOYSA-N	356.357	2.359	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H](c2nc(O)n[nH]2)C1	1568147255	NTMSYMQYASESOI-QMMMGPOBSA-N	360.395	2.156	10	10	FECE	
C[C@@H](NC(=O)CNC(=O)c1ccc(Br)o1)c1ccccc1O	1643738523	FJIFVIADVOWTEM-SECBINFHSA-N	367.199	2.355	10	10	FECE	
Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1CC(=O)NC(C)C	1693459911	GDIXWLHGQCXXJJ-UHFFFAOYSA-N	370.501	2.348	10	10	FECE	
COc1ccc(O)c(CNC(=O)NCc2cn(C)nc2C(F)(F)F)c1	158864733	RTSKZNRWUYPUMM-UHFFFAOYSA-N	358.320	2.153	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)O[C@H](C)CNS(C)(=O)=O	152981467	QMYVQYSDMLEMAX-GFCCVEGCSA-N	356.469	2.250	10	10	FECE	
COC(=O)c1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	8028962	HONHJMYBYHGAKS-UHFFFAOYSA-N	354.406	2.444	10	10	FECE	
C[C@H](C(=O)N1CCC(CN=[N+]=[N-])CC1)N1CC(NC(=O)OC(C)(C)C)C1	2131755031	DXCQEDXIYJKAIW-GFCCVEGCSA-N	366.466	2.133	10	10	FECE	
CCN(C)C[C@H](O)CN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1	2044688238	FEHVBOXYELGSAI-KRWDZBQOSA-N	351.491	2.460	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C[S@](C)(=O)=NCc2cc(N)ccc2O)C1	2047097662	UFXKRWMCTCKTGG-VWLOTQADSA-N	369.487	2.439	10	10	FECE	
CO[C@@H](CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccccc1O	2072472107	VYUMGHADRXLVSL-WFASDCNBSA-N	352.431	2.499	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)COc2ccc(N)cc2)C1	2106775479	YHVBEEMUDIGYDS-AWEZNQCLSA-N	363.458	2.411	10	10	FECE	
CN1CCc2cc([C@H](N)c3cc(=NC(=O)OC(C)(C)C)[nH]n3C)ccc21	2106848096	CUPJGFSYUMTWCD-KRWDZBQOSA-N	357.458	2.229	10	10	FECE	
COc1ccc(N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)c(CCN)c1	2235967625	IQOQMQYSKFOJFQ-FCHUYYIVSA-N	367.493	2.286	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(CC2CN(c3ccc(CN)cc3)C2)CC1	2228578442	ZALBTLNTDWEOSE-UHFFFAOYSA-N	360.502	2.134	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H](CCC(=O)N2CC[C@H](N=[N+]=[N-])C2)C1	2263325623	LCFDBRNCVXAGIK-QWHCGFSZSA-N	353.423	2.314	10	10	FECE	
COc1ccc(N2CCCN(C(=O)C=Cc3cnn(C)c3C)CC2)cc1	2304156192	CPNOEQPRAPWASV-UHFFFAOYSA-N	354.454	2.489	10	10	FECE	
CCOCCCN1CC[C@@H](NC(=O)C=Cc2ccc(O)c(O)c2)[C@@H](C)C1	2307987321	SHUKSGZBGYLOLR-DOTOQJQBSA-N	362.470	2.364	10	10	FECE	
CCN1C(=O)C(=CNc2ccnn2[C@H](C)C2CC2)C(=O)N(CC)C1=S	60865275	GQWOJMSTHOYOFQ-LLVKDONJSA-N	361.471	2.145	10	10	FECE	
CN1C(=O)Cc2cc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)ccc21	62576018	AIBLELSPVIBANY-UHFFFAOYSA-N	367.424	2.236	10	10	FECE	
CCOC(=O)c1nn(C)cc1CN1CCCN(c2ccc(OC)cc2)CC1	186194649	FCWHJXPKNIHOKN-UHFFFAOYSA-N	372.469	2.318	10	10	FECE	
COc1c(Br)cc([C@H](N)CCO)c(O)c1Br	44234152	QZVLQCZIBBLMRX-SSDOTTSWSA-N	355.026	2.308	10	10	FECE	
CCN1CCC[C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1	194174814	IYUYFFFSQRWEGR-SFHVURJKSA-N	360.502	2.149	10	10	FECE	
COc1ccc(O)c(CNC(=O)c2cnc(C(=O)OC(C)(C)C)cn2)c1	801928710	XTOKPXVKLNWGDA-UHFFFAOYSA-N	359.382	2.076	10	10	FECE	
CCn1nc(C)c(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1C	291937321	CRXCOPLUEMUPPL-UHFFFAOYSA-N	356.470	2.420	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCN(S(C)(=O)=O)C1	801511146	PRNGQIJUOKZSGA-KRWDZBQOSA-N	353.532	2.245	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@]12CCCN(CC1)C2	901326014	DFHAUPCFIHXVRQ-SFHVURJKSA-N	366.845	2.033	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)CC2)cc1F	829869196	KNAKXIGBYQKXGO-CYBMUJFWSA-N	358.417	2.011	10	10	FECE	
Cn1cnnc1C1CCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])CC1	917054521	NTGMEWJZWWWWMO-HWKANZROSA-N	357.370	2.205	10	10	FECE	
COCc1ccccc1CNC(=O)CN1CCCc2cc(CN)ccc21	843349772	BKCJWXIOJQEDQQ-UHFFFAOYSA-N	353.466	2.361	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1cn2c(n1)CCCC2	845117519	RMBXZZVVOOKFEB-UHFFFAOYSA-N	368.481	2.257	10	10	FECE	
Cc1cc(CC(=O)N2CC[C@H](S(C)(=O)=O)C2)c(C)n1-c1ccccc1	854346172	WKIPEYOIIQVSHD-SFHVURJKSA-N	360.479	2.282	10	10	FECE	
CNCc1ccccc1CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	851669835	UUEMYTRRPCGUSH-SFHVURJKSA-N	368.481	2.493	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc2c(c1)NC(=O)CN2C	858827258	ZCLJWIMINVXDCZ-UHFFFAOYSA-N	367.453	2.198	10	10	FECE	
CO[C@@H]1CCC[C@H]([C@H](CO)NC(=O)NCc2ccc(N(C)C)cc2C)C1	853748779	IZIBZUVTXRXFTM-IPELMVKDSA-N	363.502	2.426	10	10	FECE	
CN(C)c1ccc([C@@H](N)CNC(=O)C2(C(F)(F)F)CCOCC2)cc1	852791607	KMLRBPWYYBHUPX-AWEZNQCLSA-N	359.392	2.228	10	10	FECE	
Cc1cc(CC(=O)OCC(=O)c2cnnn2C)c(C)n1-c1ccccc1	853931952	BHXHRDHVSSDVOA-UHFFFAOYSA-N	352.394	2.191	10	10	FECE	
Cc1cn(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nc1C(F)(F)F	860697234	QSSKSUPMMNBYOC-JTQLQIEISA-N	357.332	2.369	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)c1cc(CN2CCCC2)on1	862026276	KBGBDYLKAJVYQA-UHFFFAOYSA-N	352.394	2.454	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC[C@H]2COCCO2)C1	774083725	RGZXSFWVWOIDFL-MRXNPFEDSA-N	372.465	2.366	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)CC[C@@H]2CC[C@@H](C3OCCO3)O2)c1	896163251	KVHDMWBLEFGTOO-DCGLDWPTSA-N	365.426	2.279	10	10	FECE	
CN(C)c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1C=O	1136397051	RTJQFBXUNVXVSO-UHFFFAOYSA-N	367.449	2.332	10	10	FECE	
CNC(=O)c1ccc(CN(C(=O)Cc2ccc(O)c(O)c2)C2CC2)cc1	1136514348	CLYGIJSEGGEEJF-UHFFFAOYSA-N	354.406	2.191	10	10	FECE	
CNC(=O)C1CCN(Cc2c(C(=O)OC)n(C)c3ccc(F)cc23)CC1	893914643	JNEABVPTYHBGIJ-UHFFFAOYSA-N	361.417	2.062	10	10	FECE	
COC(=O)/C=C/c1ccc(N2C[C@H](C)[C@@](C)(C(=O)OC)C2)c([N+](=O)[O-])c1	1163906291	CXRAAYDSYQKAJY-KYADXKRESA-N	362.382	2.416	10	10	FECE	
Oc1cc(F)ccc1CNCCn1cc(I)cn1	1964614640	LPSJONGNAYACPE-UHFFFAOYSA-N	361.158	2.122	10	10	FECE	
CCC[C@H]1CCCN1C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1	1198431253	WHJVZBVBQIPCPU-AZUAARDMSA-N	361.530	2.443	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN3C[C@H]4CCCC[C@H]43)CC2)cc1	1195833642	GJAQDZZYGSFBFN-SLYNCCJLSA-N	359.514	2.053	10	10	FECE	
CC(C)(C)OC(=O)CC[C@H]1C[C@@H](C(=O)NCc2ccc(O)c(O)c2)CO1	1445904816	YVJZNYJRXKRPQO-KGLIPLIRSA-N	365.426	2.241	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)CNC(=O)c1ncccc1O	1467497181	FHUJKJODYCNVRJ-UHFFFAOYSA-N	357.410	2.052	10	10	FECE	
O=C(Nc1cccc(N2CCOCC2)c1)c1cccc2ncnc(O)c12	1543377073	BAPYNZSOIDAZDF-UHFFFAOYSA-N	350.378	2.424	10	10	FECE	
C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N(C)C(=O)[C@@H]1C[C@H]1C1CC1	1701201463	RCZPYJHWIWFKIU-XFBWCDHKSA-N	371.441	2.472	10	10	FECE	
CC[C@@](CNC(=O)Cc1ccc(O)c(O)c1)(C(=O)OC)c1ccccc1	1626336840	XEVGEGDOQALGMF-FQEVSTJZSA-N	357.406	2.278	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H]2COC(=O)N[C@@H]2C1	1636263158	MPZHMYVYFVZJOQ-QILLFSRXSA-N	374.485	2.132	10	10	FECE	
O=C(NCc1c(O)cccc1O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1	1639289081	ITFQFZHFKUXFGE-UHFFFAOYSA-N	371.368	2.032	10	10	FECE	
CC(C)c1nnc(NC(=O)CCC(=O)NCc2ccc(O)cc2O)s1	1639444516	ODDHKWZIJZABBT-UHFFFAOYSA-N	364.427	2.108	10	10	FECE	
COc1ccc(N2CCN(CC[C@H]3COC(C)(C)O3)CC2)c(OC)c1	1648084390	RRGYXPMMTGJOAY-INIZCTEOSA-N	350.459	2.367	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2124539569	XEWHYBCPECKCPY-MELADBBJSA-N	367.450	2.296	10	10	FECE	
CCOC(=O)CN(CC(=O)NC(C1CC1)C1CC1)Cc1ccccc1O	1659100717	QLIFTTQWPRZGEM-UHFFFAOYSA-N	360.454	2.062	10	10	FECE	
COc1cccc(CNC(=O)CCNC(=O)c2cc3ccccc3[nH]2)c1O	1595799932	KDXJEKFGWQOBOI-UHFFFAOYSA-N	367.405	2.318	10	10	FECE	
CN(C)c1ccc([C@@H](NC(=O)CCc2cncnc2)c2nccn2C)cc1	1866148552	ASXNWKVHPMUQCD-LJQANCHMSA-N	364.453	2.115	10	10	FECE	
CN(C)c1ccc(-c2nc3cc(C(=O)NCCCNC=O)ccc3[nH]2)cc1	1872731976	OIOVOSZLKIXINT-UHFFFAOYSA-N	365.437	2.162	10	10	FECE	
COc1cc(Cl)cc(CNCc2c(Br)nnn2C)c1O	1967834111	ICENJAPGZFWSAF-UHFFFAOYSA-N	361.627	2.235	10	10	FECE	
C[C@H]1CN(C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)[C@H]1C	2136256142	MXAKXMZEXZVGFQ-OBJOEFQTSA-N	364.442	2.400	10	10	FECE	
CCCN(C[C@@H](O)CN1C(=O)c2ccccc2C1=O)c1ccc(CN)cc1	2025439348	BTHJSKTVZANRJF-QGZVFWFLSA-N	367.449	2.019	10	10	FECE	
CN(C)C(=O)C1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1	2177536764	VZBIVUUQLRLYAD-UHFFFAOYSA-N	374.485	2.086	10	10	FECE	
CC(C)(CNC(=O)CCOc1ccc(N)cc1)NC(=O)OC(C)(C)C	2044210930	NUSAWEQLJKIIAK-UHFFFAOYSA-N	351.447	2.457	10	10	FECE	
COc1ccc(N2CCN(C(=O)OC(C)(C)C)C[C@@]2(C)CO)c(N)c1	2044631952	YSVZVONAAKKLQD-SFHVURJKSA-N	351.447	2.086	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NCc2cccc(F)c2O)C1	2052715768	ICJWAGHIICHAAC-UKRRQHHQSA-N	354.422	2.239	10	10	FECE	
CC(C)(C)OC(=O)NCC[C@H]1CN(Cc2cc(N)ccc2O)CCO1	2055858106	BQLGJQDOHIJNBC-HNNXBMFYSA-N	351.447	2.090	10	10	FECE	
CN(Cc1ccccc1O)c1ncnc(I)c1N	2072466112	ARDURVRNAUOYKS-UHFFFAOYSA-N	356.167	2.005	10	10	FECE	
C[C@H]1C[C@@H](CNC(=O)COc2ccc(N)cc2)CN1C(=O)OC(C)(C)C	2106264146	GSMRHCHHZFEIRA-KBPBESRZSA-N	363.458	2.409	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(c1cc3c(cc1N)NC(=O)CC3)C2	2106818161	KXEVUMTUSVJMOO-CWTRNNRKSA-N	358.442	2.257	10	10	FECE	
COCC1(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])CN(C(=O)OC(C)(C)C)C1	2218738821	RESRRQBCMAWMQA-NWDGAFQWSA-N	353.423	2.218	10	10	FECE	
COC(=O)[C@H]1CCN(C(=O)C=Cc2ccc(N3CCOCC3)cc2)C[C@H]1C	2311498084	GKRLSJMSZLHZAW-APWZRJJASA-N	372.465	2.194	10	10	FECE	
CC(=O)NCCCN1C(=O)C(=Cc2ccc(N(C)C)cc2)SC1=S	2323887746	YBNPKRKYHUTXID-UHFFFAOYSA-N	363.508	2.480	10	10	FECE	
Cc1ccc(C=C2SC(N3CCN(Cc4cnn(C)c4)CC3)=NC2=O)o1	2328652938	KMDVHSBZUDVCKL-UHFFFAOYSA-N	371.466	2.110	10	10	FECE	
CCCOc1ccc(CN2CCN(c3cc(OC)ncn3)CC2)c(O)c1	184435742	INPVDNVVHGVIDX-UHFFFAOYSA-N	358.442	2.302	10	10	FECE	
C[C@H](c1cnn(C)c1)N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1	182712873	XXLFGKFPJANPAC-YXMGTMDOSA-N	354.454	2.490	10	10	FECE	
COc1ccc(N2CCCN(CCn3c(=O)oc4cccnc43)CC2)cc1	89425745	ZSNJEJATIMVDQE-UHFFFAOYSA-N	368.437	2.210	10	10	FECE	
Cc1cc(C(=O)CN(C[C@@H](C)O)[C@@H](C)CO)c(C)n1-c1ccc(F)cc1	190890379	XFIMZRSGIPZIHS-LSDHHAIUSA-N	362.445	2.480	10	10	FECE	
C[C@H]1CN(C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)CCO1	92079295	TVNCZZWNQPXTEZ-SFHVURJKSA-N	359.514	2.208	10	10	FECE	
CCCNc1ncc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cn1	244223438	WBFAJWLUYOQKRK-UHFFFAOYSA-N	355.442	2.270	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2CC(=O)N1CCO[C@@H]2CCCC[C@H]21	245441735	VRJDSHXLPGHLMP-QZTJIDSGSA-N	359.470	2.121	10	10	FECE	
COc1cc(N2CCN(c3nc(C)cnc3C)CC2)cc(OC)c1OC	273823495	DEMHFXMHPSDKNK-UHFFFAOYSA-N	358.442	2.446	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)c2nnc3n2CCCCC3)c1O	365796308	PDJIOAMNXBFALB-LLVKDONJSA-N	361.402	2.478	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc2c(c1)CCCO2	276110477	OHTIVUZQYIJDHT-GFCCVEGCSA-N	370.405	2.109	10	10	FECE	
Cc1ccc2c(c1O)[C@@H](CNC(=O)OCc1ccccc1)N[C@H](CO)C2	381052288	HLILIHJKHJJWQY-DLBZAZTESA-N	356.422	2.175	10	10	FECE	
COCc1cc(NC(=O)NCc2cc(Br)ccc2O)ncn1	806356740	DPOQSDHSZXVBDW-UHFFFAOYSA-N	367.203	2.413	10	10	FECE	
COCCn1ccc(NC(=O)NCc2cc(Br)ccc2O)n1	806249588	FUKBSFHDJTUYSR-UHFFFAOYSA-N	369.219	2.319	10	10	FECE	
COc1cc(O)c(CNCc2ccc(CN3CC[C@H](O)C3)cc2)cc1OC	826940896	HCEINWFVLDDKHR-SFHVURJKSA-N	372.465	2.266	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3CC[C@@H](Nc4ncccn4)C3)ccc21	826020715	XBYQVDPTEAJVIK-QGZVFWFLSA-N	366.469	2.255	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)Nc1cnsn1	839121279	IOBLQBVOYXPDIL-UHFFFAOYSA-N	372.498	2.392	10	10	FECE	
CCOc1ccncc1S(=O)(=O)NCc1ccc(N(C)C)c(F)c1	830297740	IXEZXJZJZNPLHK-UHFFFAOYSA-N	353.419	2.164	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N[C@@H]1CC[C@@H]2C[C@H]2C1	834594369	RXMKLYYQPXHCAE-IXDOHACOSA-N	373.522	2.161	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc(C)c(C(=O)O)o3)CC2)cc1F	911582385	PIDKQOYUIFZYGL-UHFFFAOYSA-N	362.357	2.396	10	10	FECE	
COC(=O)C1=CC[C@@H](NC(=O)NCc2cccc(Br)c2O)C1	858732943	GDHNNDPJAVFFPB-LLVKDONJSA-N	369.215	2.216	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3CC[C@H](CN)CC3)C2)cc1	851665340	ALPSJVSMLHZBCF-BRWVUGGUSA-N	360.502	2.338	10	10	FECE	
O=C(NCc1c(O)cccc1F)NC1CCN([C@H]2CCCC[C@H]2O)CC1	921534197	VAWAHLIWPKDLAS-FUHWJXTLSA-N	365.449	2.098	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCC3([C@H](O)C(C)C)CC3)C2)cc1	852452564	BLVFIKLVFUJTBV-MAUKXSAKSA-N	361.486	2.370	10	10	FECE	
O=C1C[C@H](C(=O)N2Cc3cccc(O)c3C2)CN1CCc1ccc(F)cc1	871205720	KJQPVDMDULPPEY-INIZCTEOSA-N	368.408	2.465	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCO[C@H](C(F)F)CC1	872268430	IOTHJQFHQVCFBN-INIZCTEOSA-N	355.429	2.067	10	10	FECE	
C[C@@H](CNCc1ccc(O)c(O)c1)N1CCN(C(=O)OC(C)(C)C)CC1	1877257558	ZSCDZNHVHKPLCT-AWEZNQCLSA-N	365.474	2.129	10	10	FECE	
CCN(C)c1ccc(CN2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@H]3C(=O)OC)cc1	773809546	SETJPAOHRZZFLF-XSLAGTTESA-N	360.454	2.068	10	10	FECE	
Cc1ccc(C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c(O)c1O	780922292	HQDHPDJJFKRLDS-UHFFFAOYSA-N	360.332	2.079	10	10	FECE	
CCS(=O)(=O)CCCNCc1c(C(=O)OC)n(C)c2ccc(F)cc12	895010749	BQDHMOSGVBMOJR-UHFFFAOYSA-N	370.446	2.018	10	10	FECE	
O=C(N[C@@H](CCO)C1CCOCC1)c1cc2cc(O)c(O)cc2s1	897404018	OUUUFGAHJUHSRA-LBPRGKRZSA-N	351.424	2.220	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@H](c2nccs2)C1	897791452	NDEQLMKPRJMGDL-HNNXBMFYSA-N	372.494	2.150	10	10	FECE	
CNC(=O)[C@H]1CCC[C@H]1NCc1c(C(=O)OC)n(C)c2ccc(F)cc12	894362298	SDHAFKOQLHZYBB-SWLSCSKDSA-N	361.417	2.108	10	10	FECE	
O=C(CSCc1cc(=O)n2ccsc2n1)N1Cc2cccc(O)c2C1	1302788126	USIDVRZBTSMPHV-UHFFFAOYSA-N	373.459	2.237	10	10	FECE	
CCN(CCS(C)(=O)=O)Cc1c(Br)ccc(OC)c1O	1964582988	OHLSPGCLLAIWTB-UHFFFAOYSA-N	366.277	2.030	10	10	FECE	
O=S1(=O)[C@H]2CC[C@H]1CN(c1ccc(CO)c(Br)c1)CC2	708844547	HRLKMBGMHYSNPP-STQMWFEESA-N	360.273	2.097	10	10	FECE	
O=S1(=O)CCC[C@@]12CCN(c1ccc(CO)cc1Br)C2	709027497	LQKVZHVTDNWRLA-AWEZNQCLSA-N	360.273	2.099	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1c2ccccc2CC[C@H]1F	1262147036	LQJXDMYYEVODSD-AEFFLSMTSA-N	356.397	2.492	10	10	FECE	
CSc1ccc(N2C[C@H](C(=O)NCc3cccc(O)c3O)CC2=O)cc1	1348047993	QVGSWJQNVMLTLG-CYBMUJFWSA-N	372.446	2.489	10	10	FECE	
Cc1cc(CC(=O)N2CCC(OCC(N)=O)CC2)c(C)n1-c1ccccc1	1350625780	DUCVQRIXXHNVIK-UHFFFAOYSA-N	369.465	2.130	10	10	FECE	
C[C@H](CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@H]1CCCO1	1350450174	XTMOSPSTBAVIGH-DNVCBOLYSA-N	373.497	2.210	10	10	FECE	
CC[C@@H](C)NC(=O)c1cccc(CNC(=O)Cc2ccc(O)c(O)c2)c1	1441586949	AZRNCYRNHFXXDN-CYBMUJFWSA-N	356.422	2.485	10	10	FECE	
O=C(CNC(=O)NCc1ccc(F)cc1)NCc1cc(Cl)ccc1O	1452941005	FFXZZMPZOKMBJH-UHFFFAOYSA-N	365.792	2.300	10	10	FECE	
CNC(=O)CCN(C)c1nnc(C2CC2)n1Cc1ccc(N(C)C)cc1C	1618767265	HBCMCQIGQXMZPC-UHFFFAOYSA-N	370.501	2.151	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(C)(C)C(=O)N2CC[C@H](N=[N+]=[N-])C2)CC1	2124515635	MQNBDCWWNDOSPA-ZDUSSCGKSA-N	366.466	2.229	10	10	FECE	
CC(C)(CO)c1nc2ccc(C(=O)NCc3cc(O)ccc3O)cc2[nH]1	1643885494	RXSVRQLIWOELKS-UHFFFAOYSA-N	355.394	2.174	10	10	FECE	
CCOc1ccc(O)c(CNCCN(C)S(=O)(=O)c2cccs2)c1	158312334	HJNYBQSOKQPYRY-UHFFFAOYSA-N	370.496	2.263	10	10	FECE	
CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OS(C)(=O)=O	3000953	BXOZTZPOVONDQT-XYOKQWHBSA-N	373.477	2.255	10	10	FECE	
CCc1cccc(CN[C@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c1O	1918667883	DPVOKRQSBGNSJL-CYBMUJFWSA-N	350.459	2.415	10	10	FECE	
Cc1cccc(CNC(=O)[C@H]2CCOC[C@@H]2NC(=O)OC(C)(C)C)c1O	2139749940	AOLQDOWAVPNRCF-GJZGRUSLSA-N	364.442	2.247	10	10	FECE	
COC(=O)[C@@]1(NCCN=[N+]=[N-])CN(Cc2ccccc2)[C@]2(CCCOC2)C1	2156287518	HFCPEABRTPBFCA-MOPGFXCFSA-N	373.457	2.253	10	10	FECE	
C[C@H](N[C@@H]1COCC[C@H]1NC(=O)OC(C)(C)C)c1ccc(O)cc1O	2031531936	GMLZMKVKJIURNA-NILFDRSVSA-N	352.431	2.431	10	10	FECE	
COc1ccc(O)c(CNCCN2CCN(C(=O)OC(C)(C)C)CC2)c1	378882786	FZXSDWYHCKFSIB-UHFFFAOYSA-N	365.474	2.043	10	10	FECE	
C[C@@H]1CCN(c2cc3c(cc2N)NC(=O)CC3)C[C@@H]1NC(=O)C(F)(F)F	2163117802	FCWBMXKLVJHUQK-RNCFNFMXSA-N	370.375	2.047	10	10	FECE	
C[C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(c2cc3c(cc2N)OCCO3)C1	2163126928	LUUVGMAXEXFRAM-MNOVXSKESA-N	373.375	2.323	10	10	FECE	
CN(CCOCCNC(=O)OC(C)(C)C)C(=O)Nc1ccc(N)cc1	2044624431	HYOYRAXAZVCORZ-UHFFFAOYSA-N	352.435	2.274	10	10	FECE	
CCCN(CCNC(=O)OC(C)(C)C)CC(=O)N(C)c1ccc(N)cc1	2106748731	VQAYKGAYKXZMLN-UHFFFAOYSA-N	364.490	2.468	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCC[C@H]3CN=[N+]=[N-])CO[C@H]1C2	2266115688	WJPHOVMYJRVIAD-LKQDWFRTSA-N	365.434	2.360	10	10	FECE	
CC1=NN(c2ccc3nnc(C)n3n2)C(=O)C1=CNc1ccccc1F	2296901197	PNTXBUQEBQDNNM-UHFFFAOYSA-N	351.345	2.290	10	10	FECE	
C[C@@H](N[C@@H]1COCC[C@@H]1NC(=O)OC(C)(C)C)c1cc(O)ccc1O	2308243312	CBZINESWEDFOIO-BYCMXARLSA-N	352.431	2.431	10	10	FECE	
COc1ccc(N(CC(=O)N2CCC(C(N)=O)CC2)[C@H](C)C2CC2)cc1	171937995	JUCQYAHSMSZCHP-CQSZACIVSA-N	359.470	2.024	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@H](C)C(=O)N2CCOCC2)c1	109976013	ORCDFWCVXWSMDY-QGZVFWFLSA-N	369.465	2.380	10	10	FECE	
COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cccc(OC)c1O	33932029	CRCKWLVYOOEKTK-MFYHJKBNSA-N	373.405	2.252	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1	41450774	KAZRMZJMMRHGNO-UHFFFAOYSA-N	369.421	2.456	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc(NC4CC4)nn3)CC2)cc1	243481995	NPCLMCMNNDIANY-UHFFFAOYSA-N	353.426	2.022	10	10	FECE	
COc1cccc(CNC(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)c1O	365729124	AAJWVKRQJHMCBF-MRXNPFEDSA-N	369.421	2.396	10	10	FECE	
CN(C)c1ccc(CNC(=O)[C@@H]2CCc3nnc(C4CC4)n3C2)cc1F	368394207	SYWQXRDBQVEZRR-CQSZACIVSA-N	357.433	2.239	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1	289360124	IPIKTBXTGBIGTB-IFMALSPDSA-N	366.509	2.404	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@H](O)CC(C)(C)C	819698274	JYPGYTUHQSOHNI-HNNXBMFYSA-N	351.443	2.471	10	10	FECE	
COCc1cc(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)ncn1	821993536	KHXPABWTBLCKAV-ZDUSSCGKSA-N	357.414	2.032	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N1C[C@H]2CC[C@@H](C2)C1	827203311	BAOMMDPSWSGOEW-IRXDYDNUSA-N	373.522	2.115	10	10	FECE	
CN(C)c1ccc(/C=C\CNCCNS(=O)(=O)c2cccs2)cc1	835040199	BMNBALXUXCNECQ-HYXAFXHYSA-N	365.524	2.395	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)/C=C\Cn1cncn1	901056730	SXXMIFGRLLGROU-ARJAWSKDSA-N	365.231	2.351	10	10	FECE	
O=C(NCC(=O)N1CCCc2ccccc21)NCc1c(O)cccc1F	914363741	HLRZGRDYVGRLTL-UHFFFAOYSA-N	357.385	2.310	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)[C@]23C[C@H]4C[C@H](C(=O)N2)[C@H]3C4)cc1F	845469565	URTFHYNVPKNECI-UJKGCTCZSA-N	359.445	2.203	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCCN3CCCC[C@@H]3C)C2)cc1	849225436	URUDXSHVKZBCOY-IRXDYDNUSA-N	360.502	2.448	10	10	FECE	
NC[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc(Br)ccc1O	841947241	DLQWAGOEVBKUIA-GWCFXTLKSA-N	356.264	2.471	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc4c(c3)CCNCC4)C2)cc1	852843766	GPSQAMYUJLQVJD-LJQANCHMSA-N	365.477	2.392	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)C2)cc1	855232353	QKFSRGCIKXTBFC-CABCVRRESA-N	359.470	2.037	10	10	FECE	
COc1ccc(N2CCCN(C(=O)NCCO[C@H]3CC3(F)F)CC2)cc1	852528864	BBOCOLRGZXQEFE-INIZCTEOSA-N	369.412	2.341	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3COCCN3C3CCCC3)C2)cc1	855224129	DNLGKXDJNTZUKT-JXFKEZNVSA-N	373.497	2.034	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cncc3c2CCCC3)c1	855201019	JLKNFLOVKGJNQE-UHFFFAOYSA-N	361.423	2.290	10	10	FECE	
Cc1ccc(OC[C@H](O)CNCc2ccc(N3CCC(O)CC3)cc2)cc1	853122406	QDEPSTZCNWFJOP-OAQYLSRUSA-N	370.493	2.486	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCC(=O)N2CCC2)C1	769665095	OIIGZLJCENXUOV-UHFFFAOYSA-N	369.465	2.183	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3nc([C@@H]4C[C@H]4C)no3)CC2)c(OC)c1	866128291	ZUQRFSGWLRHEOK-TZMCWYRMSA-N	372.425	2.173	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@]3(O)CCc4ccccc4C3)CC2)cc1	785685757	CXWFBAYSPHVWCD-JOCHJYFZSA-N	366.461	2.264	10	10	FECE	
CC1(C)C(=O)N[C@H]1C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1	1159132764	NSVOFVZKQHMCED-AWEZNQCLSA-N	357.414	2.226	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)N2C[C@H]3[C@H](C2)C3(F)F)cc1F	1349705654	DNSYNBPOGJHNIF-STQMWFEESA-N	369.387	2.012	10	10	FECE	
Cc1nnc(N2CCOCC2)n1Cc1ccc(N2CCSCC2)cc1	1290891988	BYPXRGLDMBHVPX-UHFFFAOYSA-N	359.499	2.025	10	10	FECE	
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1ccc(O)c(O)c1	1466964279	RAMSOVPVCQTVHO-INIZCTEOSA-N	368.389	2.022	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)c3cc(C4CC4)no3)cc2)CC1	1537839119	JRXAFWNHNWXHBL-UHFFFAOYSA-N	368.437	2.184	10	10	FECE	
O=C(Nc1ccc(F)cc1)N1CCN(C(=O)c2cccc(O)c2O)CC1	1540326511	NZVQMFWYFYADJY-UHFFFAOYSA-N	359.357	2.227	10	10	FECE	
O=C(CCCNC(=O)OCc1ccccc1)NCc1cc(O)ccc1O	1558174707	SJRLIPMUZRVOHZ-UHFFFAOYSA-N	358.394	2.421	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H](C)CCN(C)C	1566849392	KVNABKZQSAWDGS-LBPRGKRZSA-N	356.850	2.135	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2c(OC)nsc2OC)cc1	1640772454	ZYWOCMHARKTYBG-UHFFFAOYSA-N	365.455	2.377	10	10	FECE	
Cn1cnnc1CC1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1	1646001454	SKJNLXKZBKTFPC-UHFFFAOYSA-N	355.402	2.072	10	10	FECE	
O=C(CNC(=O)NCc1ccc(Cl)cc1)NCc1c(O)cccc1F	1652295295	GOBDXJSJCOCSIN-UHFFFAOYSA-N	365.792	2.300	10	10	FECE	
COc1cc(NC(=O)[C@@H](C)Oc2ccc(N)cc2)c(C(=O)O)cc1OC	1860077703	DHOGESGJPCEIRV-SNVBAGLBSA-N	360.366	2.390	10	10	FECE	
CN(C)c1ccc([C@H](NC(=O)c2ccc(O)c(N)c2)c2nccn2C)cc1	1866094903	IKEOONPYIOQQQT-SFHVURJKSA-N	365.437	2.293	10	10	FECE	
COc1cccc(OCC(=O)NC2CCN(Cc3ccc(N)cc3)CC2)c1	586046649	GKQRDBJRJVLFPK-UHFFFAOYSA-N	369.465	2.437	10	10	FECE	
Nc1ccc(NS(=O)(=O)c2cc(C(=O)O)oc2Br)cc1	2162468155	KLLABSWJGWXCIL-UHFFFAOYSA-N	361.173	2.123	10	10	FECE	
C[C@@H](CCNC(=O)OC(C)(C)C)N(C)S(=O)(=O)Cc1ccc(N)cc1	2044594198	GBPBGGMMUFICHM-ZDUSSCGKSA-N	371.503	2.334	10	10	FECE	
CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C1	2060619012	HFZSNCLLJNCWHB-GFCCVEGCSA-N	353.423	2.050	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2060613174	OMEKQWSPDDPEBG-UPJWGTAASA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1[C@H](O)[C@@H](N)c1ccccc1O	2076985434	XHEQFUMSDOUKRF-UBHSHLNASA-N	358.385	2.398	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(Cc3cc(N)ccc3O)C2)C1	2106681147	KFPHDHVYEBGSFW-LJQANCHMSA-N	363.458	2.186	10	10	FECE	
CC(C)(C)OC(=O)N(CCO)C1CCN(Cc2cc(N)ccc2O)CC1	2106687867	OWEFKPRQIDUFSJ-UHFFFAOYSA-N	365.474	2.168	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(O)c(O)c2)C[C@@H](F)C1	2219127285	QXENRBHBJZLPTN-NEPJUHHUSA-N	354.378	2.175	10	10	FECE	
COc1ccc(N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C2)cc1OC	2219643027	MUOINFQVZKETLS-GXTWGEPZSA-N	352.431	2.168	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@H]1CCCN1C1CN(C(=O)OC(C)(C)C)C1	2271808050	GFDYYROTFNGUJP-CQSZACIVSA-N	366.466	2.229	10	10	FECE	
COc1ccc(N2C[C@H](O)CC23CN(C(=O)OC(C)(C)C)C3)c(OC)c1	2226816163	XJGCXGBRIRPCMF-CYBMUJFWSA-N	364.442	2.264	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2333612053	CROYMELEZWAOMA-LKQDWFRTSA-N	365.434	2.218	10	10	FECE	
O=[N+]([O-])c1cc(Cl)cc(CN2CCO[C@@H](Cn3cccn3)C2)c1O	122201638	ZOBLCHNKEMIJCL-CYBMUJFWSA-N	352.778	2.051	10	10	FECE	
COc1cc(O)c(CN2CCC[C@@H]2CN2C[C@H](C)O[C@H](C)C2)cc1OC	245608180	ACYXHKRKNQRQQJ-HLLBOEOZSA-N	364.486	2.483	10	10	FECE	
CCCn1[nH]ccc1=NC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1	254925701	BUZJZZVENSTPBZ-KRWDZBQOSA-N	372.469	2.040	10	10	FECE	
Cc1c([C@@H](C)NC(=O)/C=C\c2ccc(N3CCOCC3)cc2)cnn1C	255910090	IYNFRHJPMKSVFG-WUKHSURWSA-N	354.454	2.456	10	10	FECE	
CC[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1C)c1nccs1	807103914	XKPAQLLENFNBQU-HNNXBMFYSA-N	360.483	2.401	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CN(C)C(=O)[C@H]2C)C1	648649460	OIPGHRDHPQJTEL-OAHLLOKOSA-N	368.481	2.054	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)NCC3(C)COC3)cc2F)C[C@H](C)O1	732994330	XUNGVEWLRBGOBM-KBPBESRZSA-N	365.449	2.275	10	10	FECE	
COc1ccc(N2CCN(CCN[C@@H](C)c3cncnc3C)CC2)cc1	848524548	GCUKKJAWQOVDSV-INIZCTEOSA-N	355.486	2.266	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@]3(Cl)C[C@H]4CC[C@H]3O4)C2)cc1	912292634	NQFOJVAGLNTMGQ-HALQFCHDSA-N	350.846	2.319	10	10	FECE	
O=C(NCCCNCc1cccnc1)NCc1ccc(N2CC=CC2)cc1	841832828	UWCOJSFFEPFERI-UHFFFAOYSA-N	365.481	2.437	10	10	FECE	
NCCc1ccccc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	846672654	IQQFYYXECVEXOC-UHFFFAOYSA-N	367.493	2.327	10	10	FECE	
CCn1cncc1S(=O)(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	841568663	FGUHHTQHTRSZHB-CQSZACIVSA-N	350.488	2.187	10	10	FECE	
COc1ccc(N2CCN(CCNC(=N)NC3CCCCC3)CC2)cc1	849066349	AZINGMCFJQLCKQ-UHFFFAOYSA-N	359.518	2.264	10	10	FECE	
C[C@H](NC[C@]12COCCN1C(=O)OC2)c1cc(Br)ccc1O	866519452	BGMXVKPVERHKNR-ZUZCIYMTSA-N	371.231	2.027	10	10	FECE	
O=C1N[C@H](C[C@H]2CCCOC2)C(=O)N1Cc1ccc(N2CC=CC2)cc1	863506153	ZBDFXRLQAWTAML-SJLPKXTDSA-N	355.438	2.300	10	10	FECE	
CO[C@@H]1C[C@@H]2CN(C(=O)c3ccc(C)c(O)c3O)Cc3cccnc3N2C1	870538620	RBCBDOFPHVYDCI-HUUCEWRRSA-N	369.421	2.051	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@]2(O)[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)c1	786958633	HYKUFFOUOMERKQ-KHVVERCOSA-N	369.461	2.338	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cc(C2CC2)no1	898609041	AHZLATFJXNJPKP-UHFFFAOYSA-N	357.410	2.313	10	10	FECE	
CNC(=O)C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1	794907071	KTZJOMXGJMUPTM-GOSISDBHSA-N	354.454	2.429	10	10	FECE	
CN(C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1ccc(N=NC(N)=O)cc1	1151550681	IFMJOGJYLDBPRZ-BZUAXINKSA-N	359.430	2.173	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)c1cnn2c1NCCC2	1349847911	RLRYYBRGUVJDBV-UHFFFAOYSA-N	351.204	2.097	10	10	FECE	
CC(C)[C@@H](C(=O)NCc1ccc(O)cc1O)S(=O)(=O)C1CCCCC1	1299572107	APQDZANBRKTZDC-KRWDZBQOSA-N	369.483	2.486	10	10	FECE	
O=C(NC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1)c1ccc(F)cc1	1540806254	JOGFLJHRLRWDOC-UHFFFAOYSA-N	372.396	2.200	10	10	FECE	
Cc1cc(CC(=O)N2CCN(C(=O)N(C)C)CC2)c(C)n1-c1ccccc1	1628567219	NBDOCNSHFOWWRN-UHFFFAOYSA-N	368.481	2.462	10	10	FECE	
COCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccccc1	1556625149	YHPTVSRBNACPAF-UHFFFAOYSA-N	364.423	2.057	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1ccc(C)nc1	1566848956	DXSXKZPYMPWYNC-UHFFFAOYSA-N	362.813	2.493	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)C1	2124536742	SPXFZFYJZBRYPM-DCGLDWPTSA-N	367.450	2.201	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](C(=O)N1CCC[C@@H]1CN=[N+]=[N-])[C@H]1CCOC1	2124506744	AJGXIIPUUCZBDD-BFHYXJOUSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(N2CCC[C@H]2C(=O)NCCN=[N+]=[N-])CC1	2124514838	ZMINRYDKSQYUFL-AWEZNQCLSA-N	366.466	2.277	10	10	FECE	
COc1ccc(CNC/C=C/CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cc1C	1699306698	GKODOHNFHNTVQT-WWAPKCSDSA-N	368.481	2.303	10	10	FECE	
Nc1ccc(OCCCN2CCC[C@H](NC(=O)c3ccncc3)C2)cc1	586058597	DBFVLVYTFGQJHC-SFHVURJKSA-N	354.454	2.327	10	10	FECE	
C[C@H]([C@@H](N)c1ccc2c(c1)CCN2C)N1CC(NC(=O)OC(C)(C)C)C1	2131754769	NSRDLBTXGQWKAG-FZKQIMNGSA-N	360.502	2.276	10	10	FECE	
CC1(NC(=O)c2cc(O)c(O)c(O)c2)CCN(C(=O)OC(C)(C)C)CC1	2132411413	VDAUAZSOJIIVET-UHFFFAOYSA-N	366.414	2.323	10	10	FECE	
COc1cc([C@]2(NC(=O)OCc3ccccc3)C[C@@H]2C(=O)O)cc(O)c1O	1952888366	SDQBJRGXQFFRFN-BFUOFWGJSA-N	373.361	2.333	10	10	FECE	
C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2060640192	QTPYFLJZJBVUHY-AGIUHOORSA-N	353.423	2.170	10	10	FECE	
COC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCC(N=[N+]=[N-])CC2)C1	2060637518	LXJCYMQPSKKUDP-UHFFFAOYSA-N	353.423	2.360	10	10	FECE	
Cc1cccc(N)c1N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1S(C)(=O)=O	2072517408	JTCWKUJMCVDRIF-ZIAGYGMSSA-N	369.487	2.022	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@@H]1C[C@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1	2079199928	JLBWSFNENMPOEF-YNEHKIRRSA-N	353.423	2.170	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2cc3c(cc2N)OCC(=O)N3)C1	2106711725	KVQUEVYCAOVNQS-NSHDSACASA-N	362.430	2.045	10	10	FECE	
COCCN(CCOc1ccc(N)cc1)C1CN(C(=O)OC(C)(C)C)C1	2106765085	JDBMBJNNVQSVIL-UHFFFAOYSA-N	365.474	2.215	10	10	FECE	
COc1cc(N)c(N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)cc1OC	2106840052	YLHOXHUKDOEKSR-KOLCDFICSA-N	361.364	2.179	10	10	FECE	
CN(C)c1ccc(CNC(=O)C2(COCc3ccccc3)CNC2)cc1	2268828637	DTOPVFXYYBFURO-UHFFFAOYSA-N	353.466	2.175	10	10	FECE	
CC(C)(C)OC(=O)NCc1cn(CCNCc2ccc3c(c2)CCO3)nn1	2287094692	RNXAGOQVQPNOMI-UHFFFAOYSA-N	373.457	2.028	10	10	FECE	
COc1cccc(CN[C@@]23CO[C@@H](C2)[C@@H](NC(=O)OC(C)(C)C)C3)c1O	2266447711	DUMNAMBMAMBRAL-ZUEVXXBESA-N	364.442	2.315	10	10	FECE	
CC(=O)c1ccc(NC=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1	2296938555	QWUWSYNTOKTEPV-UHFFFAOYSA-N	363.373	2.464	10	10	FECE	
CN(C)c1ccc(C=C2C(=O)NC(=S)N(Cc3ccco3)C2=O)cc1	2297365545	VWZFRPBEGQPUFS-UHFFFAOYSA-N	355.419	2.173	10	10	FECE	
Cc1ccc(S(=O)(=O)NC2=NC(=O)C(=Cc3cccnc3)S2)cc1	2297449354	SITNFBGFTPVPDJ-UHFFFAOYSA-N	359.432	2.339	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)C1	2331230159	AYRVKSMEZHAPEF-IHRRRGAJSA-N	367.450	2.153	10	10	FECE	
Cc1nccn1C[C@H]1CCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1	178316815	XIPIBKWFZPNZHA-HXUWFJFHSA-N	369.513	2.381	10	10	FECE	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccn2)cc1	79333413	XVKBFTUILYPSAH-SFHVURJKSA-N	352.438	2.069	10	10	FECE	
C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc2c(c1)OCO2	182280256	PCXJWHDGHVSGOS-AWEZNQCLSA-N	355.438	2.448	10	10	FECE	
CCCCOC(=O)[C@H](C)NC(=O)/C=C/c1ccc(N2CCOCC2)cc1	81359255	BYYWCVKSLKHMLX-JCVNQNCUSA-N	360.454	2.384	10	10	FECE	
CN1CCCc2cc(CNC(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C)ccc21	287655020	VDYILWPXHKIXFJ-AEFFLSMTSA-N	363.502	2.026	10	10	FECE	
CCNC(=O)C(C)(C)CNC(=O)NCc1cc(Br)ccc1O	805223696	LOICTPUSMJBMAO-UHFFFAOYSA-N	372.263	2.116	10	10	FECE	
CC(=O)C(=O)COC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1	808508008	OJXSXIAVIOUAHP-LLVKDONJSA-N	371.349	2.478	10	10	FECE	
O=S1(=O)CCC(CCNCc2ccc(Br)cc2O)CC1	825379950	VBPTZQOPCYZHQS-UHFFFAOYSA-N	362.289	2.459	10	10	FECE	
C[C@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)C1CCCCC1	837466669	WCXGAMWYEHXKCT-NSHDSACASA-N	369.439	2.458	10	10	FECE	
CCC(=O)N1CSC[C@H]1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	839918761	NKRSMASDMLLJKC-PBHICJAKSA-N	363.527	2.420	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc1	835054511	WJRWZWBJONRRCK-DFUPXEOGSA-N	356.470	2.218	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CN3CSCCSC3)C2)cc1	912292059	IBWOAGARKKPYER-CQSZACIVSA-N	367.540	2.087	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(Cn2cnnc2)CC1	844989522	JGKDHGGGGLAIHQ-UHFFFAOYSA-N	356.474	2.274	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC3C[C@@H]4CC[C@H](C3)N4C)C2)cc1	852371432	GLACYTRCEMTUTI-DUZACMNTSA-N	358.486	2.198	10	10	FECE	
CN1Cc2ccccc2[C@H](NC(=O)NCc2ccc(N(C)C)cc2)C1=O	857845677	QKWZHYKYVSMYQH-SFHVURJKSA-N	352.438	2.265	10	10	FECE	
O=C(Cn1ccc(C(F)F)n1)NCc1ccc(N2CCOCC2)c(F)c1	858625958	HZIQDROKNSRIJT-UHFFFAOYSA-N	368.359	2.113	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	934706340	JBAMBHCACPRLDP-MJGOQNOKSA-N	362.470	2.011	10	10	FECE	
COc1cccc(O)c1CN1CCN(Cc2nccn2C(F)F)CC1	769154974	ZFHXCCOLZHQLFC-UHFFFAOYSA-N	352.385	2.310	10	10	FECE	
CC1(N2CCOCC2)CCN(Cc2ccc(N3CCOCC3)cc2)CC1	862503023	HCAVPXRMZOSHIC-UHFFFAOYSA-N	359.514	2.210	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CCN(CCc3cnccn3)CC2)c1O	879420540	NBMCFSKXBMFDTF-UHFFFAOYSA-N	374.872	2.399	10	10	FECE	
CCN(C)c1ccc(Cn2cc(CN3CCC(C(=O)O)CC3)nn2)cc1	881313184	CKNLLXGNDIATFP-UHFFFAOYSA-N	357.458	2.079	10	10	FECE	
CN(C)c1ccc([C@H](CN)N2C[C@@H]3[C@H](C2)[C@@H]3NC(=O)OC(C)(C)C)cc1	1882159176	KJTLMYIYPIJTSP-MHORFTMASA-N	360.502	2.207	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)NCCCCN=[N+]=[N-])CN(C(=O)OC(C)(C)C)C1	1964945371	WQLPIUXRVLTBLF-QWHCGFSZSA-N	355.439	2.465	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC(CC(F)(F)F)C1	1344948551	BBJMLPQUKSYLGT-UHFFFAOYSA-N	357.376	2.122	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](O)c3cnc[nH]3)ccc21	1352783308	UJYBCOHISIGZJP-GOSISDBHSA-N	356.426	2.091	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)NCc1ccc(O)cc1O	1451757252	LPMOZYSHLWTNFM-AWEZNQCLSA-N	350.415	2.407	10	10	FECE	
COc1ccc(C2=NO[C@@H](CNC(=O)Cc3ccc(O)c(O)c3)C2)cc1C	1296890620	AUMQDJAUXBLEOT-OAHLLOKOSA-N	370.405	2.267	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@@]2(C)C1	2118164676	RTJHWFUSUBJOEX-DJJJIMSYSA-N	362.426	2.427	10	10	FECE	
COc1cccc(CN[C@@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1O	2121675348	UXIUQHKBYXYYOM-IIAWOOMASA-N	364.442	2.125	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCc1nnn(C(C)(C)C)n1	1478887095	BWOOXMLXKFONCC-UHFFFAOYSA-N	371.489	2.370	10	10	FECE	
CCc1nnc(N2CC[C@H](C(N)=O)C2)n1Cc1ccc(N(CC)CC)cc1	1709074752	POJQNBBLFDUCGI-INIZCTEOSA-N	370.501	2.047	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(C=O)n1C	1632702056	UYGNHYICACLVLF-UHFFFAOYSA-N	364.785	2.012	10	10	FECE	
Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N1CCC(N=[N+]=[N-])CC1	2124512445	LMDZHNGXYODZGE-UHFFFAOYSA-N	363.422	2.360	10	10	FECE	
O=C(Nc1ccc(-n2nnnc2O)cc1)c1cc2cc(O)c(O)cc2s1	1634120706	KNIOHEGYYQRUBJ-UHFFFAOYSA-N	369.362	2.246	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N2CCOc3c(F)cc(F)cc32)c1	1585241003	QLDKDPRINMUWRO-IHWYPQMZSA-N	359.332	2.158	10	10	FECE	
COC(=O)CCN1C(=O)/C(=C\c2ccc(C(=O)O)cc2)SC1=S	206830271	CQFAIGDORPVEDT-DHZHZOJOSA-N	351.405	2.149	10	10	FECE	
Cc1ccc(O)c(CN=c2nc(CCN(C)C(=O)OC(C)(C)C)[nH][nH]2)c1	2128848041	SJMGESFAVZAJTO-UHFFFAOYSA-N	361.446	2.262	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1	2132416940	AVQJKPGGBIQXGY-ZYHUDNBSSA-N	366.414	2.227	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@H]1c1nc(=NCc2ccc(N)cc2)[nH][nH]1	2130559016	PKIHILOVUACWST-CQSZACIVSA-N	358.446	2.493	10	10	FECE	
C[C@H](NC(=O)[C@@H]1OCC[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O	2072475973	INKJMJHIJOXECU-NJZAAPMLSA-N	350.415	2.252	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)Cc2ccc(N)cc2)CC1	2044247288	HMHNBEYQODBYDV-UHFFFAOYSA-N	369.487	2.088	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1CN=[N+]=[N-])[C@@H]1CCCO1	2060637768	OOFQLZLDJOKAPX-RWMBFGLXSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](C(=O)N1CC[C@@H](N=[N+]=[N-])C1)[C@@H]1CCOC1	2060612955	LYFYUPFIRUWCFU-UPJWGTAASA-N	353.423	2.075	10	10	FECE	
CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CC[C@@H](N=[N+]=[N-])C1	2063955075	SNWDPJLAAFRLKR-JHJVBQTASA-N	353.423	2.170	10	10	FECE	
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)COc1ccc(N)cc1	2106229296	ITBNNMRRYIULAA-CJNGLKHVSA-N	363.458	2.409	10	10	FECE	
CC(C)(C)OC(=O)N1CC(O)(CCNCc2ccc3c(c2)CCCO3)C1	2087535994	NGZLTARYIMOVEJ-UHFFFAOYSA-N	362.470	2.473	10	10	FECE	
CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1Nc1c(N)cccc1C(=O)O	2108866181	RXALADSJTXHDJF-GUTXKFCHSA-N	365.430	2.450	10	10	FECE	
CC(C)CN1C(=O)C(=CNCc2cccc(Cl)c2)C(=O)NC1=S	2295113180	FZFNVXDWVVMKFA-UHFFFAOYSA-N	351.859	2.213	10	10	FECE	
CCN(CC)CCC[C@H](C)NC=C1C(=O)NC(=O)N(c2ccccc2)C1=O	2297315675	CAPPNECGWSHKOZ-HNNXBMFYSA-N	372.469	2.253	10	10	FECE	
CC(=O)NCCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S	2323888764	IMXXJYFDDBDNQH-UHFFFAOYSA-N	364.448	2.143	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2331230642	XEWHYBCPECKCPY-MGPQQGTHSA-N	367.450	2.296	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(C1)[C@@H](C(=O)N1CC[C@H](N=[N+]=[N-])C1)CO2	2342985296	LFBIKJNIGACIOC-UDRCLVEDSA-N	365.434	2.218	10	10	FECE	
Cc1cccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(C(=O)O)cc3)C2=O)c1	104973770	MYENEFUWPYEJJZ-XNTDXEJSSA-N	365.345	2.272	10	10	FECE	
COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	178679959	KDWJQYLCYXYOJN-AEFFLSMTSA-N	374.412	2.024	10	10	FECE	
O=C(Nc1ccc(I)cn1)c1cccc(O)c1O	126178669	FBAQGFGXSASOLM-UHFFFAOYSA-N	356.119	2.350	10	10	FECE	
CN1CCc2cc(CNCc3ccc(S(=O)(=O)N(C)C)cc3)ccc21	178873551	CBKMXOSHSCVORU-UHFFFAOYSA-N	359.495	2.219	10	10	FECE	
COc1cccc(OC)c1C(=O)N1CCN(c2ccc3c(c2)OCO3)CC1	243391189	MMIXUSHVJAPSMG-UHFFFAOYSA-N	370.405	2.395	10	10	FECE	
COc1ccc(CNC(=O)[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)c(O)c1	367922860	DKDTWCCNDGTERX-HNNXBMFYSA-N	368.405	2.222	10	10	FECE	
Cc1ccc(CN2CCC[C@H]2CS(C)(=O)=O)c(O)c1Br	2380710604	GXLZPNSJOINKCL-LBPRGKRZSA-N	362.289	2.472	10	10	FECE	
COC(=O)c1coc(C(=O)NCc2cc(Br)ccc2O)c1	804735021	HZGLVFKGUGPCEQ-UHFFFAOYSA-N	354.156	2.464	10	10	FECE	
Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2Cc1cc2c(cc1O)OC[C@@H]2O	802748706	XFZIRGSUPZNTHM-MAUASRDWSA-N	355.438	2.462	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(CN2CCOCC2)cn1	810411659	RCBNLDPVNFEXHN-UHFFFAOYSA-N	368.481	2.218	10	10	FECE	
CC(C)OC[C@H](O)CNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	818965472	ASXKTVUXDGXBGZ-BFYDXBDKSA-N	354.466	2.315	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)NCC1(S(=O)(=O)CC)CC1	823224693	WCXACCHWOZBSQM-UHFFFAOYSA-N	354.472	2.281	10	10	FECE	
C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H](O)C(C)(C)O)cc2Cl)C1	908012051	FXYRMQLRANPFOR-MLGOLLRUSA-N	354.878	2.324	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@H](N)[C@@H]3C)cc2F)C[C@H](C)O1	841712377	OLALVCCMPSRVJP-WSMBLCCSSA-N	364.465	2.070	10	10	FECE	
O=C(NCc1cc(NC(=O)[C@H]2CCCCO2)ccc1O)[C@@H]1CCCCO1	923121798	LBJJHBVWAUKXOD-DLBZAZTESA-N	362.426	2.085	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3(C(F)F)CC3)cc2)C1	843535451	YBCYAXNBFHLPAV-ZDUSSCGKSA-N	351.397	2.050	10	10	FECE	
C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CC1=O	750661114	BRYREXGDPCKZQU-MRRJBJDNSA-N	357.454	2.080	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H]3CCCc4c[nH]nc43)cc2)C1	857848910	PIWGPFHAGOULFV-SJLPKXTDSA-N	353.470	2.279	10	10	FECE	
COC(=O)c1coc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1	759018399	WPNWAESWBIUVLZ-CYBMUJFWSA-N	358.394	2.394	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CN(C)C(=O)c3cccs3)C2)cc1	855230516	DTWUNXFINVKCAN-CQSZACIVSA-N	373.478	2.224	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCCCCn3ccnc3)C2)cc1	851995883	AXFIHHNKQLQMQF-INIZCTEOSA-N	357.458	2.250	10	10	FECE	
COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC3CC(C)(C)C3)CC2)cc1	856338107	QHMAYGHLDKSJJM-CMDGGOBGSA-N	371.481	2.205	10	10	FECE	
Cc1cc(CC(=O)OCC(=O)NC[C@H]2CCCO2)c(C)n1-c1ccccc1	853933508	FLXQESVWCRPNSO-LJQANCHMSA-N	370.449	2.475	10	10	FECE	
CN(C)c1ccc(CNC(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)cc1	856831424	GFIIAYVUDSPGDP-SFHVURJKSA-N	373.478	2.222	10	10	FECE	
CNc1cnc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cn1	858926522	DNCJFYCJEOHJFX-QGZVFWFLSA-N	369.469	2.406	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3nccc(OC)c3F)C2)cc1	852450016	FGWAWDLBBXZBEX-ZDUSSCGKSA-N	374.416	2.316	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCCn2cncn2)C1	769664207	APNAAMWMVZBLCI-UHFFFAOYSA-N	367.453	2.243	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H]3C[C@@]3(CO)C2)C1	768241281	KTIMQXVPBOUSNA-AOMKIAJQSA-N	367.493	2.249	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1cn(-c2ccc(N)cc2)nn1	864619502	FPWOIFTTZXXYHW-GOEBONIOSA-N	359.430	2.199	10	10	FECE	
COC[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1	862128034	XPUXBAYJUTYNKB-RBUKOAKNSA-N	356.422	2.128	10	10	FECE	
O=C(NCCC1(O)CCN(c2ccccc2)CC1)c1cccc(O)c1O	870427472	KCZAIGODNFXLHD-UHFFFAOYSA-N	356.422	2.249	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cn(C)nc3Cl)CC2)c(OC)c1	870165672	IYIFMSWORYOIIZ-UHFFFAOYSA-N	364.833	2.053	10	10	FECE	
O=C1C[C@H]([C@H]2CCCCN2Cc2ccc(N3CCOCC3)c(F)c2)CN1	770379707	KNVOMEJOWSDDEB-FUHWJXTLSA-N	361.461	2.153	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cnc2n1CCC2	772453116	YRGCSLRPFYBOBD-UHFFFAOYSA-N	362.499	2.495	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1snc(O)c1Cl	774382494	XFQXDDURASWEFV-UHFFFAOYSA-N	371.821	2.408	10	10	FECE	
Cc1cc(C(=O)CN2CC[C@@]3(CNC(=O)C3)C2)c(C)n1-c1ccccc1	789359133	WTQZXWQXHBGBIA-OAQYLSRUSA-N	351.450	2.489	10	10	FECE	
C[C@H](NC(=O)[C@H]1OCC[C@H]1CNC(=O)OC(C)(C)C)c1ccccc1O	1877573378	KGEHFWBFVGOTMO-XEZPLFJOSA-N	364.442	2.499	10	10	FECE	
CNC(=O)[C@@H]1CCC[C@@H]1NCc1c(C(=O)OC)n(C)c2ccc(F)cc12	894362293	SDHAFKOQLHZYBB-DOMZBBRYSA-N	361.417	2.108	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)CC1	1133123382	JKMJYZNONSCQHL-UHFFFAOYSA-N	372.400	2.416	10	10	FECE	
COC[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@@H]1CCCOC1	899650833	HRDGPHBBXSHIPE-PWSUYJOCSA-N	351.424	2.484	10	10	FECE	
CC(C)c1nnc(N(C)Cc2ccccc2O)n1CC(=O)NCC(F)F	1302578731	IHAVNCZOUIHLNL-UHFFFAOYSA-N	367.400	2.125	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)NCc1ccccc1O	1964093553	YNTWATYJDOTBSY-HOCLYGCPSA-N	364.442	2.280	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NCC1CCC(F)CC1	1326414656	ULJCXZVBESJFIX-UHFFFAOYSA-N	359.445	2.324	10	10	FECE	
CC[C@H](CN(C)C[C@H](O)COc1ccc(N)cc1)NC(=O)OC(C)(C)C	2116684292	SFDOATMAEJDDSK-CVEARBPZSA-N	367.490	2.244	10	10	FECE	
COCCN(CCC(=O)OC)Cc1ccc(N2CCC(OC)CC2)cc1	1459465953	OGJYTXMEOAKJSY-UHFFFAOYSA-N	364.486	2.313	10	10	FECE	
COC(=O)c1sccc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1	1521743874	RJEPNKFXAGVRAZ-UHFFFAOYSA-N	374.462	2.426	10	10	FECE	
COc1cnc(C2(NC(=O)/C=C/c3ccc(O)c(O)c3)CCCC2)nc1O	1456399782	BEDMFCMHTWSEFM-FNORWQNLSA-N	371.393	2.201	10	10	FECE	
CN(C)[C@H]1CCC[C@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	1464310658	XRRSENIROHQBAO-IRXDYDNUSA-N	363.477	2.399	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[C@@H]1CCCS1(=O)=O	1540488452	RSKVLPOKVFVAHJ-KRWDZBQOSA-N	350.484	2.213	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)c1c[nH]c2cc(F)c(F)cc2c1=O	1636022008	CGBHQCQNPHNDSS-UHFFFAOYSA-N	360.316	2.190	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](C(=O)NCC1(CN=[N+]=[N-])CC1)[C@@H]1CCOC1	2124508422	PFGQUAKJUQBCHK-OLZOCXBDSA-N	367.450	2.371	10	10	FECE	
NC(=O)c1cccc(OCCC(=O)NCc2ccc3cccnc3c2O)c1	1630533218	YYFZMIFNMOCNPZ-UHFFFAOYSA-N	365.389	2.125	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1cc(N2CCNC2=O)ccc1Cl	1638352908	WUNZXTXEFUKZQD-UHFFFAOYSA-N	361.785	2.211	10	10	FECE	
Nc1c(Br)cccc1C(=O)NCCc1ccc(O)c(O)c1	1595753359	YOFPRXJFXHXTBE-UHFFFAOYSA-N	351.200	2.415	10	10	FECE	
Cc1ccc(O)c([C@H](C)N=c2nc(CNC(=O)OC(C)(C)C)[nH]n2C)c1	2126794246	FJYKMOGTVWNNAL-LBPRGKRZSA-N	361.446	2.449	10	10	FECE	
CN1CCCC[C@H]1CNC(=O)NCc1cccc(Br)c1O	1685546611	WBUDXEQVEHYHFZ-LBPRGKRZSA-N	356.264	2.438	10	10	FECE	
CCNC(=O)C(C)(C)Cn1c(CC)nnc1N(C)Cc1ccccc1O	1695913708	DRXDDORSWUGSPV-UHFFFAOYSA-N	359.474	2.345	10	10	FECE	
CC[C@@H]1SC(=S)N(CC(=O)Nc2cc(C(C)=O)ccc2OC)C1=O	11635682	SVSJLCOZTIWRIE-ZDUSSCGKSA-N	366.464	2.475	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(CO)(NC(=O)Nc2ccc(N)cc2)CC1	2133754494	DGQZTXUPFVJGPM-UHFFFAOYSA-N	364.446	2.152	10	10	FECE	
C[C@H](O)c1cccc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n1	1119937713	XRPJERPTIJIIKU-GOEBONIOSA-N	354.454	2.449	10	10	FECE	
Nc1ccc(O)c(CN2CC[C@H]3COC[C@@H](C2)N3Cc2ccccc2)c1	2139665323	UFYNUEKGZGDDFP-VQTJNVASSA-N	353.466	2.450	10	10	FECE	
CN[C@H](c1ccccc1O)[C@@]1(O)[C@@H](NC(=O)OC(C)(C)C)COC1(C)C	2136989594	XNFTZJQRFCOULX-KHYOSLBOSA-N	366.458	2.086	10	10	FECE	
O=S1(=O)C[C@H]2C[C@@H](CN(Cc3cc(Br)ccc3O)C2)C1	1972375394	GNAIDFTTZWGKTL-QWRGUYRKSA-N	360.273	2.021	10	10	FECE	
C[C@H]1CN(Cc2ccccc2)CCN(C[C@@H](O)COc2ccc(N)cc2)C1	323305290	CYSGYFYRMRKNSV-GHTZIAJQSA-N	369.509	2.462	10	10	FECE	
C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)CCOc1ccc(N)cc1	2162990524	XJXSABAKIQPYKO-DGCLKSJQSA-N	373.375	2.096	10	10	FECE	
CNC(=O)[C@@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1	398535548	ZEYPOWCXUDEZQI-CYBMUJFWSA-N	374.485	2.134	10	10	FECE	
CS(=O)(=O)c1cnn(Cc2ccc(Cl)cc2O)c1Br	2070239066	QBTBUSZAFDFNGX-UHFFFAOYSA-N	365.636	2.456	10	10	FECE	
CN1CC[C@](CN)(N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)C1	2194858691	DKCLCZATHCOCHS-OAQYLSRUSA-N	374.529	2.497	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@@H]1CN=[N+]=[N-])[C@@H]1CCOC1	2060621516	OLFSFOJNOKCKKD-UPJWGTAASA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](NC(=O)CCOc2ccc(N)cc2)CCO1	2106256360	WAOIEMOOXNHEKF-CQSZACIVSA-N	365.430	2.095	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@]12CCN(C(=O)COc1ccc(N)cc1)C2	2106726698	BNHHJGTZIRHMOQ-IBGZPJMESA-N	361.442	2.260	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C	2331188346	XVERSWYUEZXZEM-CFVMTHIKSA-N	364.442	2.451	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2333613150	MWHSQDSFZOREPB-IIYDPXPESA-N	367.450	2.486	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](CNCc2cccc(F)c2O)N2CC[C@H]1C2	2342844921	BTXYVCMGDGPDQR-LSDHHAIUSA-N	365.449	2.315	10	10	FECE	
NC(=O)c1ccc(CNC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)o1	174983919	DNXFXFVWPCCTKN-UHFFFAOYSA-N	374.352	2.084	10	10	FECE	
COC(=O)[C@H](C)CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	177580640	JRBGZZIYKGTWEW-CRAIPNDOSA-N	362.470	2.459	10	10	FECE	
CC[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CCN1C[C@@H](C)O	184985086	KSBBGYBKNVUVDB-VQIMIIECSA-N	374.529	2.056	10	10	FECE	
Cc1ccn2c(/N=N\c3ccc(S(N)(=O)=O)cc3)c(C(=O)O)nc2c1	71583504	HRZIXIFZYRRDGP-HNENSFHCSA-N	359.367	2.404	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)C4)CC2)cc1	187652699	FZDNRONPJFKKJF-UHFFFAOYSA-N	351.406	2.152	10	10	FECE	
COc1ccc(CN2CCN(CC(=O)Nc3ccccc3F)CC2)c(O)c1	180831770	HBOJHNLPDGMWGS-UHFFFAOYSA-N	373.428	2.296	10	10	FECE	
C[C@H](NCCS(=O)(=O)C(C)(C)C)c1ccc(N2CCOCC2)cc1	89627895	ORAHRJDLRLOFEU-HNNXBMFYSA-N	354.516	2.387	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN[C@H]2CCO[C@H]2c2ccccc2)cc1	191956850	UTUJDBMDDFARFN-FPOVZHCZSA-N	353.466	2.489	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)N3CCN4CCOC[C@@H]4C3)ccc21	368222214	PVCGUYYRCSLPEZ-SFHVURJKSA-N	371.481	2.061	10	10	FECE	
CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCc1ccc(N2CCCC2)cc1	364734125	JDKVFJOOYDLNGM-UEXGIBASSA-N	357.498	2.436	10	10	FECE	
CC(=O)C(=O)COC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	808528308	XBOAAXQVHDOXTO-OCCSQVGLSA-N	355.431	2.361	10	10	FECE	
CSc1cc(N(C)Cc2c(Br)nnn2C)ccc1CN	2382210175	OIUHPZHPDGVSGS-UHFFFAOYSA-N	356.293	2.395	10	10	FECE	
CCN1CCN(c2ccc(CNc3nc(C(N)=O)cs3)cc2F)CC1	292425998	GDHWTNNOJPPKKJ-UHFFFAOYSA-N	363.462	2.135	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](c1cccnc1)C1CC1	807100308	IMNLRKGFVIWFMF-LJQANCHMSA-N	366.465	2.340	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](CN(CC(=O)Nc3ccc(N)cc3)C2)C1	2162942981	VXPMIONCOZUCBN-GJZGRUSLSA-N	374.485	2.396	10	10	FECE	
COc1cc(N(C)C[C@@H](CN)Cc2cnn(C)c2C)cc(OC)c1OC	903902559	JNVHWTBUMRHOSR-CQSZACIVSA-N	362.474	2.008	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC([C@]2(C)COC(=O)N2)CC1	919081269	JKJWNKPSHCDHJQ-FQEVSTJZSA-N	374.485	2.481	10	10	FECE	
O=C(NCCCSc1nccs1)N1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1	838513701	KRPGQHUEAMHATA-MGPQQGTHSA-N	371.528	2.197	10	10	FECE	
C[C@@H]1CCN(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1	847591220	SCIJPPUUJXUEKD-RHSMWYFYSA-N	365.905	2.468	10	10	FECE	
Cn1nccc1[C@H](NCc1cc2c(cc1O)OCO2)C(=O)OC(C)(C)C	842774447	HADNXWMXXJYSGT-INIZCTEOSA-N	361.398	2.027	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCN1C1CCOCC1	927646504	WCJHWEIFKDCWEM-IBGZPJMESA-N	360.502	2.147	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@@H]3C[C@@H](C)n4ncnc43)CC2)cc1	852477640	VBGCLSFDQWUPJH-RHSMWYFYSA-N	370.457	2.214	10	10	FECE	
O=C(Nc1c(Cl)ccc2nonc12)c1ccn(CCn2cccn2)n1	1128704019	BMNPKIYWCFYJNO-UHFFFAOYSA-N	357.761	2.222	10	10	FECE	
CN(C)[C@H]1CCOc2c(NS(=O)(=O)c3cccc4nonc34)cccc21	788492249	SHFFQSAXQCYNAY-AWEZNQCLSA-N	374.422	2.409	10	10	FECE	
C[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@H](C)S(C)(=O)=O	1135800311	COQYODRHEJYRRZ-CABCVRRESA-N	352.500	2.314	10	10	FECE	
COc1ccc(N2CCCN(C(=O)c3cnc(SC)nc3O)CC2)cc1	1136336145	CYAXGJHFVWFGOR-UHFFFAOYSA-N	374.466	2.265	10	10	FECE	
COC(=O)c1c(CNCCCO[C@@H]2CCOC2)c2cc(F)ccc2n1C	894331302	DWHYKNZYIFTADT-CQSZACIVSA-N	364.417	2.389	10	10	FECE	
O=C(NCc1cccc(O)c1O)c1cc(Br)c2nccn2c1	1303195631	YFFQAOXODCXGDE-UHFFFAOYSA-N	362.183	2.438	10	10	FECE	
CCN1C[C@@H](C)N(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C[C@H]1C	1313211788	KPZCAJDUXYFTPV-QZTJIDSGSA-N	373.545	2.063	10	10	FECE	
C[C@H](CC(=O)NCc1ccc(O)cc1O)S(=O)(=O)c1ccc(F)cc1	1162277643	AHCAYWRLXYCCMP-LLVKDONJSA-N	367.398	2.106	10	10	FECE	
C[C@H](OCc1ccccc1)[C@H](NC(=O)CCc1ccc(N)cc1)C(=O)O	706026475	JUDJFJNBBUHJTL-LIRRHRJNSA-N	356.422	2.376	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@]2(F)CCC[C@@]2(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1	2115652195	FKECCAAPRHMCEO-BIPCEHGGSA-N	368.449	2.381	10	10	FECE	
CON(C(=O)COc1ccc(N)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	2119475883	OHVDOHYJFORBLP-CQSZACIVSA-N	365.430	2.047	10	10	FECE	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(=O)cc[nH]1	1620754016	OQYACRFCAIQXJM-GFCCVEGCSA-N	363.364	2.375	10	10	FECE	
COC(=O)[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)c2ccc(F)cc2O1	1628255027	KVDAAMYULDACKL-KNYPUDEUSA-N	373.336	2.217	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3n[nH]c4c3CCCCC4)cc2)CC1	1636779807	SOXLLKCVGLKUAM-UHFFFAOYSA-N	367.497	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(C(=O)NCc2ccccc2O)C1	2124173515	YGGJUVXSSCLJIL-LIRRHRJNSA-N	362.426	2.034	10	10	FECE	
O=C(Cn1c(S)nnc1-c1cccs1)NCc1ccc(O)cc1O	1638352500	QNHUVYCUSJHIIZ-UHFFFAOYSA-N	362.436	2.023	10	10	FECE	
Cc1cc(Cn2nnc(C(=O)NCc3cccc(Cl)c3O)c2C)on1	1637227179	QHLTUPHFXQREHE-UHFFFAOYSA-N	361.789	2.220	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc1	1570632731	WMIBCYRTLFMKRB-QGZVFWFLSA-N	368.481	2.286	10	10	FECE	
O=C(CCC(=O)Nc1c(F)cccc1F)NCc1cc(O)ccc1O	1644753696	FWNHKIHRYJQGGT-UHFFFAOYSA-N	350.321	2.411	10	10	FECE	
COc1cc(N)c(C(=O)NCc2cc(O)ccc2O)cc1Br	1651225743	XBMXIGATKSRUNE-UHFFFAOYSA-N	367.199	2.381	10	10	FECE	
Cc1nnc(N2CCSC[C@H]2C)n1Cc1ccc(N2CCOCC2)cc1	1742858649	WNGOJPHYTSOXEJ-OAHLLOKOSA-N	373.526	2.413	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]2C(=O)NC)cc1F	158319949	JORKIQQZIGJCAK-INIZCTEOSA-N	350.438	2.092	10	10	FECE	
CN(C)c1ccc(CNCC(=O)NCCc2nc3ccccc3[nH]2)cc1	1860716688	XVGKLBARZYEXCA-UHFFFAOYSA-N	351.454	2.077	10	10	FECE	
Cc1c(OCC(=O)OC(C)C)c(=O)ccn1CCOc1ccc(N)cc1	1857919218	AKDUFRQXGCXNCI-UHFFFAOYSA-N	360.410	2.148	10	10	FECE	
CN1CCCc2cc(CN(Cc3ccccc3)CC3(O)CNC3)ccc21	1915433881	PLBMHYBJGJJDEU-UHFFFAOYSA-N	351.494	2.406	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CCN(c3cc4c(cc3N)OCC(=O)N4)[C@H]2C1	2188888658	WJHRZUNDVUQKGB-ABAIWWIYSA-N	374.441	2.045	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)C[C@@H]1COCC[C@H]1NC(=O)OC(C)(C)C	2060613989	XIIWCKTWNOMIQS-CHWSQXEVSA-N	355.439	2.465	10	10	FECE	
COc1ccc(CNC[C@H]2CO[C@@H](CNC(=O)OC(C)(C)C)C2)c(O)c1	2102870991	SBQVOWYDVYFQFX-XJKSGUPXSA-N	366.458	2.420	10	10	FECE	
CN(Cc1ccccc1)[C@@]1(CNC(=O)c2ccc(O)c(O)c2)CCOC1	2098893166	KIVWLMQNPQJENE-HXUWFJFHSA-N	356.422	2.119	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])C1	2218746609	RDFPXPZDOUFVIK-AVGNSLFASA-N	353.423	2.360	10	10	FECE	
C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCc2cc(O)c(O)cc2C1	2318655664	RQFADUNFEYXBQW-NSHDSACASA-N	350.415	2.143	10	10	FECE	
CC[C@](CNC(=O)OC(C)(C)C)(NCc1ccc2c(c1)CCO2)C(=O)O	2351449966	MGPGUVHEBUMUQW-LJQANCHMSA-N	364.442	2.469	10	10	FECE	
CCCn1nccc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	178778291	DVGXNBCTEXFTIL-UHFFFAOYSA-N	355.442	2.148	10	10	FECE	
CCN[C@@H]1C(=O)Nc2cc(N(CCO)C(C)C)c(Br)cc21	92775586	HIMRKNZVYVMSDI-AWEZNQCLSA-N	356.264	2.259	10	10	FECE	
Cc1cc(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)on1	92010666	BIQKCDKRGKLFSM-UHFFFAOYSA-N	354.454	2.445	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@@H]5O)CC2)cc1	249556224	LYDRUDCVENBPBG-SIDKUJJXSA-N	371.481	2.075	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3C[C@@H](OC)C[C@H]3C(=O)O)c2C)cc1	262143465	MITZHCHRRRPGPH-WMZOPIPTSA-N	372.421	2.417	10	10	FECE	
Cc1nnc(COCC(=O)NCc2cc(Br)ccc2O)s1	804738100	BWNCJOTUOLEHII-UHFFFAOYSA-N	372.244	2.148	10	10	FECE	
Nc1ccc(CC(=O)N2CCC3(CC2)C[C@@H]3C(=O)N2CCCCC2)cc1	831502521	RZHNMHSRWSKHFA-GOSISDBHSA-N	355.482	2.453	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F	837784356	RMEYURPFBHKWBL-CQSZACIVSA-N	371.336	2.232	10	10	FECE	
O=S(=O)(C[C@@]12CCCN(CC1)C2)NCCCSc1nccs1	914105736	LSFVLBKJAALZMO-AWEZNQCLSA-N	361.558	2.031	10	10	FECE	
Cn1cc(/C=C/C(=O)N2Cc3ccccc3-c3ccccc32)c(=O)n(C)c1=O	918623484	QSSLYSUCXGURJI-VAWYXSNFSA-N	373.412	2.311	10	10	FECE	
COC[C@H]1C[C@@H](O)CN1CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	844403322	XYWXMSRCNBHOMH-QZTJIDSGSA-N	360.429	2.498	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCc1nnc2n1CCC2	840321450	PLMUZFHUDUJIOM-OAHLLOKOSA-N	370.501	2.072	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC(C2(O)CC2)CC1	846266045	DPPIRXVPKQKXQM-UHFFFAOYSA-N	374.481	2.284	10	10	FECE	
C[C@H](NC(=O)N1CC[C@]2(CCCNC2)C1)c1ccc(N2CCOCC2)cc1	841740961	LIJJWTKFPHGVQI-UWJYYQICSA-N	372.513	2.369	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3noc(C4CC4)n3)C2)cc1	852231321	DKNDOADNBPYXMF-CYBMUJFWSA-N	357.414	2.034	10	10	FECE	
CCN(C)c1ccc(CN2CCc3sc(S(N)(=O)=O)cc3C2)cc1	852733326	OZIMWSFBXIQGQF-UHFFFAOYSA-N	365.524	2.410	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)C=C3CCNCC3)cc2F)C[C@@H](C)O1	852859966	GBVWYQLZUKHHFG-GASCZTMLSA-N	361.461	2.365	10	10	FECE	
NC(=O)c1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cn1	766464444	IDQZHSBZLSNKFS-UHFFFAOYSA-N	371.466	2.055	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cn(C[C@@H]2CCOC2)nn1	862002245	OYFSGHAPGIQFJS-HOTGVXAUSA-N	371.485	2.050	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)Cc3ccnn3C)cc2F)C[C@@H](C)O1	766416055	MWRJYFPPIQQGMH-ZIAGYGMSSA-N	360.433	2.032	10	10	FECE	
C[C@H]1C[C@@H]1c1noc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)n1	865909101	XFJXDPBGRBZHSB-GUYCJALGSA-N	370.453	2.332	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccn2nccc12	878301222	UCWNTDKXBNEGSC-UHFFFAOYSA-N	364.449	2.473	10	10	FECE	
Cc1cc(CC(=O)N[C@H](C)[C@H]2CN(C)CCN2C)c(C)n1-c1ccccc1	896530147	IRJLNNWRPODPCB-DYESRHJHSA-N	368.525	2.387	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](OC)C(=O)OC(C)(C)C	1136428665	HUSAXEWIHWYMLY-INIZCTEOSA-N	350.459	2.458	10	10	FECE	
CNC(=O)C[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)c1ccccc1	796036103	GXIBGOITUMEYRZ-AWEZNQCLSA-N	359.382	2.276	10	10	FECE	
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NCc1c(O)cccc1O	1156886241	WRJAHKQJGURLOO-NSHDSACASA-N	354.428	2.024	10	10	FECE	
CN(C)c1ccc(CNC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)cc1F	1328556823	NPAKQEIKMGMFOB-MRXNPFEDSA-N	370.428	2.279	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCC[C@@H]2CCCC2(F)F)cc1F	1331647076	BBOFKDLKDRUCDB-ZDUSSCGKSA-N	371.403	2.450	10	10	FECE	
Cn1ncc(CNC(=O)c2ccc(O)c(O)c2)c1NC(=O)OC(C)(C)C	2118182102	ITAPRMLZANCZQE-UHFFFAOYSA-N	362.386	2.108	10	10	FECE	
COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1	1469816286	ZYSQHMKQZFKUHZ-IAGOWNOFSA-N	370.449	2.399	10	10	FECE	
CN1CCN(c2ccc(NC(=O)c3ccc(N=NC(N)=O)cc3)nc2)CC1	1472490326	GNJDECYUSVHCAB-UHFFFAOYSA-N	367.413	2.248	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCC[C@]1(O)CCCOC1	1470679260	FAOLSNKXQIUZDM-HXUWFJFHSA-N	361.486	2.360	10	10	FECE	
Cc1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(N2CCOCC2)cc1	1707856543	ZQEATDPXIMSIGH-HNNXBMFYSA-N	354.458	2.210	10	10	FECE	
CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2124540128	DEJZPTAFVOOFKF-VXGBXAGGSA-N	369.422	2.134	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC(N=[N+]=[N-])C2)C[C@H]2COCC[C@@H]21	2124538387	JDQNFXUXHZKGQD-DYEKYZERSA-N	365.434	2.170	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2124504498	ZNUGVBKNTMXFTI-WCQYABFASA-N	363.422	2.147	10	10	FECE	
O=C(C[C@@H](c1ccccc1)N1CCOC1=O)NCc1c(O)cccc1O	1635847173	JIJSGEXULFSFIE-HNNXBMFYSA-N	356.378	2.298	10	10	FECE	
CN[C@@H]1C(=O)Nc2cc(N3CCC[C@@](C)(O)C3)c(Br)cc21	163266467	RMCPBWOULWYMOG-DZGCQCFKSA-N	354.248	2.013	10	10	FECE	
Cc1cc(=O)c(OCC(=O)N2CCCCC2)cn1Cc1ccc(N)cc1	1857915088	FVLHOHSGEHZWRN-UHFFFAOYSA-N	355.438	2.179	10	10	FECE	
CN(Cc1cc(N)ccc1O)[C@@]1(CNC(=O)OC(C)(C)C)CCOC1	2044669015	KXPOCDDWVGMXGF-GOSISDBHSA-N	351.447	2.090	10	10	FECE	
CN(C)c1ccc([C@@H](N)c2cnn(C)c2I)cc1	2044717639	GFQVHLIOLVSNEX-GFCCVEGCSA-N	356.211	2.139	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1CN=[N+]=[N-])[C@H]1CCOC1	2060621515	OLFSFOJNOKCKKD-RWMBFGLXSA-N	353.423	2.218	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CCC[C@H](N=[N+]=[N-])C2)CO1	2060608765	LTHFEORCXYMMJD-AGIUHOORSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@@H]1CN=[N+]=[N-])C1(O)CCC1	2067738949	DCDBFFFTRYGCHX-NEPJUHHUSA-N	353.423	2.096	10	10	FECE	
CCCN(CCS(C)(=O)=O)c1ccc(CO)c(Br)c1	2113820895	YPDIWESBAWIWPK-UHFFFAOYSA-N	350.278	2.202	10	10	FECE	
Oc1cccc(F)c1CNCCn1cnc(I)c1	2221431750	COFGGSAJHNLRBG-UHFFFAOYSA-N	361.158	2.122	10	10	FECE	
COc1ccc(Br)c(CN[C@]23COC[C@@H]2C3(F)F)c1O	2236055711	RLRBPOYNWSZNEV-CMPLNLGQSA-N	350.159	2.287	10	10	FECE	
CC(C)(C)OC(=O)N1CC(N2CCC[C@@H]2C(=O)NCCCCN=[N+]=[N-])C1	2271807795	CIURZVPHIQFGQU-CQSZACIVSA-N	366.466	2.277	10	10	FECE	
C[C@@H]1O[C@]2(C(=O)N3CC[C@H](CN=[N+]=[N-])C3)C[C@@]1(NC(=O)OC(C)(C)C)C2	2266071079	VBGHIJVUPLFMPF-LZDSYCOUSA-N	365.434	2.360	10	10	FECE	
COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1O	2294130697	AXFUKJKINBWGDR-UHFFFAOYSA-N	356.309	2.206	10	10	FECE	
CC(=O)Oc1ccccc1C=C1SC(=S)N([C@@H](C)C(=O)O)C1=O	2314842296	MPQRQLJWHHTGDK-QMMMGPOBSA-N	351.405	2.286	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N(C[C@@H]2CCCO2)c2ccncc2)c1	114361713	VHLRDESTTFVLKF-WRFKIARRSA-N	366.421	2.062	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)CCCO3)cc1F	171293369	FTURQBRVLDWCDE-UHFFFAOYSA-N	371.412	2.472	10	10	FECE	
COc1ccc(N2CCN(C(=O)CSC3CCOCC3)CC2)cc1	130822642	PEXDYYPJWHFPTR-UHFFFAOYSA-N	350.484	2.256	10	10	FECE	
COc1ccc(N2CCN(C(=O)C3(C(=O)NC(C)(C)C)CC3)CC2)cc1	244474516	ZIKZNXNVRMCMNP-UHFFFAOYSA-N	359.470	2.039	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[C@@]2(O)CCCC[C@H]2C1	248128429	OFIFODDIYYKMEN-RXVVDRJESA-N	359.514	2.338	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H](C)[C@H](C)CO)cc2F)C[C@@H](C)O1	265891837	VKCJWZKZHMMORA-APIJFGDWSA-N	367.465	2.255	10	10	FECE	
CC(C)(C)OC(=O)NC1CC2(C1)CN(c1cc3c(cc1N)OCC(=O)N3)C2	2163079481	HUHJPPKNAUJLCK-UHFFFAOYSA-N	374.441	2.093	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CC[C@H](OC(=O)N(C)C)C2)c([N+](=O)[O-])c1	294855632	BOHDLCXPDLDCGU-IYNGYCSASA-N	363.370	2.058	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCc1ccc(N3CCN(C)CC3)cc1)C2	818238600	YRJRIQLVBOSLCF-IHPCNDPISA-N	372.513	2.147	10	10	FECE	
CCOC(=O)c1cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)on1	822786837	XRARVBSOULGBHA-CYBMUJFWSA-N	373.409	2.179	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)C3(OC(C)C)CCC3)cc2)CC1	822320200	AXHUJIZQGKCDFA-UHFFFAOYSA-N	373.497	2.319	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N(C)C[C@H]3CCCN(C)C3)C2)cc1	854302217	XXAPEJZVFDFIPR-DLBZAZTESA-N	360.502	2.257	10	10	FECE	
Cc1cn2c(n1)C[C@@H](C(=O)N[C@@H](C)c1ccc(N3CCOCC3)cc1)CC2	858786044	MJJBECGPTXGLJT-WMZOPIPTSA-N	368.481	2.468	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CCc2cc(N)ccc21	851686011	YLJTXCSFCYZZEA-LJQANCHMSA-N	366.465	2.063	10	10	FECE	
O=C(NCc1cccc(Br)c1O)NC[C@H](C(=O)O)C1CCC1	854234389	FCQUYWJXKQXJRF-NSHDSACASA-N	371.231	2.455	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3cn4ccccc4n3)C2)cc1	852453975	MVAUSQMSQDKVLI-OAHLLOKOSA-N	365.437	2.421	10	10	FECE	
COc1ccc([C@H]2[C@@H](C(=O)NCc3c(O)cccc3F)CC(=O)N2C)cc1	928705278	IQRBITUJETVAHU-LIRRHRJNSA-N	372.396	2.376	10	10	FECE	
COCc1ccc(NC(=O)C(=O)NCc2cc(C)ccc2O)cc1OC	862025084	MYHCQPWXZLRWKN-UHFFFAOYSA-N	358.394	2.111	10	10	FECE	
C[C@@H]1NCC[C@H]1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	861572152	MPHUGRRGSVLGOL-BLLLJJGKSA-N	368.428	2.306	10	10	FECE	
O=C(NC1(C(=O)NCCc2ccc(O)c(O)c2)CC1)OCc1ccccc1	860235128	OOHXCLPMZWAIBF-UHFFFAOYSA-N	370.405	2.216	10	10	FECE	
COCCO[C@H]1COCC[C@H]1NCc1cc(C)cc(Br)c1O	776812540	KAQXQSMHCNWGKK-CABCVRRESA-N	374.275	2.373	10	10	FECE	
COc1cc(Br)cc(CN2CCSC[C@@H]2CCO)c1O	770305724	JOEYWCPMSPSWJM-LBPRGKRZSA-N	362.289	2.463	10	10	FECE	
COc1c(NC(=O)NCc2ccc(N(C)C)c(F)c2)cccc1C(N)=O	782709911	AMNOXKFVXCYHRP-UHFFFAOYSA-N	360.389	2.321	10	10	FECE	
O=C(NC[C@@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1)c1ccccc1	1137136155	UCWPEXGEEYXJEN-KRWDZBQOSA-N	368.433	2.451	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc([C@H]2CNC(=O)C2)c1	797636592	CHLKARDZLYWICZ-IUODEOHRSA-N	369.421	2.454	10	10	FECE	
COc1ccc(CNC(=O)c2ccc(-c3ccccn3)nc2O)c(O)c1	794380820	FOFIDTNDECYVHM-UHFFFAOYSA-N	351.362	2.493	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CCN3C(C)(C)C)CC2)c(OC)c1	1302001252	VUFQWRNDYNDYTF-KRWDZBQOSA-N	361.486	2.225	10	10	FECE	
CNCc1ccc(N(C)C2CC(S(C)(=O)=O)C2)c(Br)c1	716101137	KMVZPVPEJBUUOS-UHFFFAOYSA-N	361.305	2.180	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)NC[C@@](C)(CO)OC)CCCC1	1452649185	GZVYFRQIOQLSSM-FQEVSTJZSA-N	360.454	2.042	10	10	FECE	
CS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(O)cc2O)c1	1469159004	IXVPSXQGGPEAQP-UHFFFAOYSA-N	355.799	2.085	10	10	FECE	
COc1cccc(O)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1558723888	YPSWWTKICVJDDX-MRXNPFEDSA-N	357.454	2.500	10	10	FECE	
Cc1cc(CC(=O)N[C@H](CO)CN2CCCC2)c(C)n1-c1ccccc1	1556855294	XJZJSHSZURNPJS-IBGZPJMESA-N	355.482	2.210	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)N2CCC(N=[N+]=[N-])CC2)C1	2124540270	FRBYGEBXVFJOJA-KRWDZBQOSA-N	367.450	2.440	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2124533202	BLIBEWXWNBJSNV-QWHCGFSZSA-N	367.450	2.465	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@]34CCC[C@]3(OC)OCC4)C2)cc1	1587112399	FZENDEZAMHINIP-YSSFQJQWSA-N	360.454	2.323	10	10	FECE	
OC[C@@H]1CO[C@H](CNCc2cc(Cl)cc(Br)c2O)C1	1966088391	PRSLZOXGLQEVTD-KCJUWKMLSA-N	350.640	2.295	10	10	FECE	
COCCCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)C(C(=O)OC)=C1C	5764744	OPKBXBOGAMUUQD-GHRIWEEISA-N	358.438	2.462	10	10	FECE	
C[C@H](C(=O)N1CCC[C@H](CN=[N+]=[N-])C1)N1CC(NC(=O)OC(C)(C)C)C1	2131756717	KVMSWMJIEYPHCQ-CHWSQXEVSA-N	366.466	2.133	10	10	FECE	
Nc1ccc(-n2nnc(C(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1	1857878911	NYIJPCDAVNHXGX-UHFFFAOYSA-N	359.733	2.058	10	10	FECE	
CN(C)c1ccc([C@@H](O)[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1	1917209455	QVXJGWUVVBBGGX-DLBZAZTESA-N	358.394	2.166	10	10	FECE	
C[C@H](N[C@@H]1COC[C@@H]1CNC(=O)OC(C)(C)C)c1ccc(O)cc1O	2036598794	JDSOEXPARVMVFR-SLEUVZQESA-N	352.431	2.288	10	10	FECE	
COC[C@@H](O)CN(C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2	388689688	RZPOQPPTFHLTLJ-ZDUSSCGKSA-N	365.474	2.006	10	10	FECE	
C[C@H]1[C@@H](C)N(c2ccc([C@@H](C)N)c(Br)c2)CCS1(=O)=O	2170273548	IHKOAJUCHQPGPL-MXWKQRLJSA-N	361.305	2.481	10	10	FECE	
CN(CCCC(=O)Nc1ccc(N)cc1)CCNC(=O)OC(C)(C)C	2044607828	JGWSPGLANBHWQE-UHFFFAOYSA-N	350.463	2.444	10	10	FECE	
C[C@@H](N=c1[nH]ccnc1I)c1ccc(O)cc1O	2057936494	CAACVBHVDVPVRX-SSDOTTSWSA-N	357.151	2.087	10	10	FECE	
C[C@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	2060487336	HNUATTOERRBPFI-VOJFVSQTSA-N	350.415	2.060	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060636664	ALQKFMMRGRTBHY-AVGNSLFASA-N	353.423	2.218	10	10	FECE	
COC(=O)[C@@H](CNC(=O)OC(C)(C)C)N(C)[C@H](C)c1ccccc1O	2072449806	CUWXGCIMSMRBHR-TZMCWYRMSA-N	352.431	2.451	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1	2106853103	MWCPDFAILJMMBY-YLJYHZDGSA-N	361.486	2.311	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)[C@@H](O)C1CN(C(=O)OC(C)(C)C)C1	2106851905	ZGJKJFDZOMXHKP-MSOLQXFVSA-N	361.486	2.167	10	10	FECE	
CNC(=O)CN(Cc1ccccc1)c1ccc(CNCCOC)cc1C	2095918552	QYVXSWCZDLPKGO-UHFFFAOYSA-N	355.482	2.484	10	10	FECE	
C[C@@]1(F)CN(S(=O)(=O)Cc2ccc(N)cc2)C[C@@]1(C)Br	2205663431	GPVKYODTHJSLCY-CHWSQXEVSA-N	365.268	2.296	10	10	FECE	
CC(C)(C)OC(=O)NCCn1cnc(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])c1	2225791343	CQFXRZFBBAARIY-NEPJUHHUSA-N	363.422	2.369	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)N1CCC[C@H](N=[N+]=[N-])C1)[C@@H]1CCOC1	2259903946	ZKLLCQXVIFGMAF-QWHCGFSZSA-N	353.423	2.314	10	10	FECE	
CCCN[C@H](c1ccccc1O)[C@H](O)[C@@H](CNC(=O)OC(C)(C)C)OC	2352119291	HKJOBLUFZRQLPL-BRWVUGGUSA-N	368.474	2.334	10	10	FECE	
CC(=O)Nc1cccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1	101350270	BGRGXMDDZWJWSG-LFIBNONCSA-N	364.361	2.224	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@@H]3C[C@H]4OCCC[C@H]34)CC2)cc1	187955902	KZPUSKMNWMYFNW-GUDVDZBRSA-N	359.470	2.484	10	10	FECE	
CN1C(=O)CC[C@@H](C(=O)NCc2ccc(O)c(O)c2)[C@@H]1c1ccccc1	182531685	NVBDKMGAMFWJBI-BEFAXECRSA-N	354.406	2.324	10	10	FECE	
CN(Cc1cccnc1)C[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	190480686	ITWLLYDSWOBYSP-MRXNPFEDSA-N	355.438	2.470	10	10	FECE	
C[C@H]1CN(Cc2ccccc2)CCN1c1ccc2c(c1)N(C)C(=O)[C@H]2N	382692152	HZPGBJYWLJJEEA-YWZLYKJASA-N	350.466	2.374	10	10	FECE	
CN(CC(=O)OC(C)(C)C)C(=O)/C=C\c1ccc(N2CCOCC2)cc1	255240944	XCANJKQQAHTFGW-YFHOEESVSA-N	360.454	2.337	10	10	FECE	
O=S(=O)(C1CC1)N1CCCN(Cc2cc(Cl)c(F)cc2O)CC1	816600685	FBLYHAYJGAMEPM-UHFFFAOYSA-N	362.854	2.185	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@H](OC)C3)cc2F)CC1	826719060	DBMDRWFVHOAXCX-SJORKVTESA-N	363.477	2.399	10	10	FECE	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cnc(OC)c(Cl)c2)c1	827194791	QJBUYFVLQJBRTL-SECBINFHSA-N	372.830	2.497	10	10	FECE	
CCNC(=O)[C@H](C)OC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	835758527	ZQENMLDWQPXCNO-HNNXBMFYSA-N	371.481	2.476	10	10	FECE	
CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCc1c(O)ccc2c1CCCC2	830597569	OVUGUOCNIRIZQW-BLIXFSHQSA-N	358.482	2.420	10	10	FECE	
C[C@H](NC(=O)N1C[C@@H]2CCC[C@H](C1)N2)c1ccc(N2CCOCC2)cc1	841739799	CHUMYZFDJGOWNV-RYQLBKOJSA-N	358.486	2.120	10	10	FECE	
Cc1cc(C(=O)N(C)C2CS(=O)(=O)C2)c(C)n1-c1ccc(F)cc1	913148904	MTVPWUFMXSASEL-UHFFFAOYSA-N	350.415	2.102	10	10	FECE	
CC(C)NC(=O)CCn1c(C2CC2)nnc1N(C)Cc1ccccc1O	1288200804	VXCKPBGHAXZOGN-UHFFFAOYSA-N	357.458	2.412	10	10	FECE	
O=S1(=O)CC[C@@]2(CN(Cc3cc(-c4ccccc4)ccc3O)CCO2)C1	843426545	ZEIJAXYAKCNRCH-HXUWFJFHSA-N	373.474	2.449	10	10	FECE	
Cc1cc(C(=O)CN2CCN3CCOC[C@H]3C2)c(C)n1-c1ccc(F)cc1	755212613	RKPNPGYQPMKVAK-LJQANCHMSA-N	371.456	2.432	10	10	FECE	
CNc1cnc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cn1	858625975	IMHQQJUPUMJTEP-STQMWFEESA-N	373.432	2.201	10	10	FECE	
CN(Cc1cc(O)n2ncc(C(=O)O)c2n1)C[C@H]1CCc2ccccc21	851708937	BHHZNXQTAGWDCH-CYBMUJFWSA-N	352.394	2.295	10	10	FECE	
CC(=O)C(=O)COC(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1	923836236	ZPDRMICUIUMHGF-UHFFFAOYSA-N	354.284	2.265	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](C)N3CCCCC3)C2)cc1	852184890	INHVGGCJNRXIIG-DLBZAZTESA-N	360.502	2.448	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccccc3F)C2)cc1	852451707	AXGLAACKLFYTMX-LIRRHRJNSA-N	373.428	2.446	10	10	FECE	
CCc1noc(CCCC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)n1	855232166	OSSBMTJAPBIBGH-CQSZACIVSA-N	358.442	2.358	10	10	FECE	
COc1c(C)[nH]cc(CN(C)Cc2ccc(N3CCOCC3)cc2)c1=O	931326450	GIUMIBOJNDMCBF-UHFFFAOYSA-N	357.454	2.161	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)c1nnn(C2CC2)c1C(F)(F)F	767777598	DENLGYDGKTYVMX-UHFFFAOYSA-N	356.304	2.016	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)CC[C@H]1CC[C@@H](C2OCCO2)O1	896401666	XOBNDMTXQRYPCJ-MSOLQXFVSA-N	362.470	2.378	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1CNC(=O)c1cccc(O)c1O	1963824870	HXLRZDFNYXRJON-ZDUSSCGKSA-N	350.415	2.473	10	10	FECE	
COc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c(O)c1	2116274852	RFWTZWCKVWIREN-GOEBONIOSA-N	366.458	2.108	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)cc1	1292988404	XNZWELYJFVZJPJ-INIZCTEOSA-N	359.430	2.222	10	10	FECE	
C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)NCCc1ccccc1	1450910526	CPALUASHXWUDQN-CYBMUJFWSA-N	367.409	2.326	10	10	FECE	
C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(N=NC(N)=O)cc2)C[C@H](C)O1	1463861333	OXHICVXZODLIEF-STQMWFEESA-N	361.446	2.467	10	10	FECE	
Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NCc1cccc(Cl)c1O	1606860480	MRGYXIPXMGVNRU-MRXNPFEDSA-N	371.828	2.441	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1ccc(Cl)c(N2CCNC2=O)c1	1626838300	VTMJRGUXWAPWSB-UHFFFAOYSA-N	361.785	2.211	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCCN(C(C)=O)C1	1498676052	WKFXMBPNQJMXMR-MRXNPFEDSA-N	371.485	2.441	10	10	FECE	
CCN1CCC[C@H](NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1=O	1636267716	SOKHKFXVUXAYBW-QAPCUYQASA-N	360.502	2.302	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2124512779	NPABPXSFJUNTHW-BFHYXJOUSA-N	367.450	2.296	10	10	FECE	
Cc1nnc(N2CCS[C@@H](C)C2)n1Cc1ccc(N2CCOCC2)cc1	1726414119	BZJJEPJCGHHEQG-HNNXBMFYSA-N	373.526	2.413	10	10	FECE	
C[C@@]1(c2cccc(C(=O)NCc3cc(Cl)ccc3O)c2)NC(=O)NC1=O	1640920284	NLRUGCXWZYYYFR-SFHVURJKSA-N	373.796	2.030	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CN(C(=O)c1ccc(O)c(O)c1)C2	2136547770	BOWIQDUPINENHG-BFUOFWGJSA-N	362.426	2.475	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)NCc2cccc(C)c2O)N(C(=O)OC(C)(C)C)C1	2139750961	ODOZYYBEGOBLSH-CABCVRRESA-N	364.442	2.341	10	10	FECE	
O=C(N[C@@]1(c2ccc(O)c(O)c2O)C[C@@H]1C(=O)O)OCc1ccccc1	1952828754	DSNBKTAYBWNKMM-KZULUSFZSA-N	359.334	2.030	10	10	FECE	
COC[C@]1([C@@H](N)c2ccccc2O)CN(C(=O)OC(C)(C)C)CCO1	2029560262	SNGQIHCDANVXSQ-YJBOKZPZSA-N	352.431	2.045	10	10	FECE	
COc1ccc(N2CCCO[C@@H](CNC(=O)OC(C)(C)C)C2)c(N)c1	2044742327	YCTSYAQYEPQEHH-AWEZNQCLSA-N	351.447	2.397	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2060636997	FPTITGXXNUPALY-OLZOCXBDSA-N	353.423	2.171	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CO1	2060618191	WMHVEZRGWQHEST-XQQFMLRXSA-N	353.423	2.170	10	10	FECE	
CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2060633119	KBHGYGJCQNQJOS-STQMWFEESA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(c2ccc(N)cc2)C1	2106832442	AFWIFJORILGXFU-AWEZNQCLSA-N	362.474	2.126	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(C)C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2312334257	QKXSWVBCGWSQIP-AZKPJATDSA-N	353.423	2.264	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCc2cc(O)c(O)cc2C1	2341202259	SIHVGOFQRFJKGU-CQSZACIVSA-N	362.426	2.382	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(=O)Nc3cccnc3Cl)CC2)cc1	9859403	MKGLDYZUAVYCDJ-UHFFFAOYSA-N	374.828	2.031	10	10	FECE	
COC(=O)[C@H]1C[C@@H](OC)CN1Cc1cc(Br)cc(C)c1O	180234050	IMGUIDQAZFDJDM-CHWSQXEVSA-N	358.232	2.225	10	10	FECE	
CCCCCN1C[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O	243679690	PGBDWHOUFMGHFO-QGZVFWFLSA-N	373.497	2.383	10	10	FECE	
C[C@@H]1CN2CCC[C@H]2CN1C(=O)/C=C\c1ccc(N2CCOCC2)cc1	255192540	VADBEIADBONWNZ-ZODOCNFASA-N	355.482	2.232	10	10	FECE	
C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)CCN1C	266765813	PSLNMKPKVKADQZ-QFBILLFUSA-N	360.502	2.147	10	10	FECE	
CCOCCOC1CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1	272024847	QEOZILLFTULFSC-FNORWQNLSA-N	350.371	2.023	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC2(CO)CCC2)C1	683499783	NHSDJFPZXNUGSG-UHFFFAOYSA-N	355.482	2.439	10	10	FECE	
CN(CCn1cnnc1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2	707393129	FIBSMYSNWLLBQO-UHFFFAOYSA-N	372.473	2.290	10	10	FECE	
CNC(=O)c1cccc(CCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1	773760726	KMOZPWRPMJXBKQ-ZDUSSCGKSA-N	356.422	2.137	10	10	FECE	
CN(C)c1ccnc(NC(=O)NCc2ccc(N3CCSCC3)cc2)n1	797643366	ZEZQEIRDQOTUOV-UHFFFAOYSA-N	372.498	2.418	10	10	FECE	
Cc1cc(CCNC(=O)N(C)CCOCCO)c(C)n1-c1ccccc1	800699514	WOEGDSVLYZQIKD-UHFFFAOYSA-N	359.470	2.287	10	10	FECE	
Cc1cc(C(=O)CN2CC[C@@H](CN)C2)c(C)n1-c1ccc2c(c1)OCO2	843348421	NAWBGWIQDNXWHM-HNNXBMFYSA-N	355.438	2.286	10	10	FECE	
Cc1cc(C(=O)CN2C[C@@H]3C[C@H]2C[S@@]3=O)c(C)n1-c1ccc(F)cn1	844435158	VVIJILYVXQLUPI-XHQUFGICSA-N	361.442	2.016	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCOC[C@H]2c2ccnn2C)c([N+](=O)[O-])c1	845755215	AIMXWQMMGXTZLE-YXMMZVCTSA-N	372.381	2.092	10	10	FECE	
O=C(NCCC1CCNCC1)NCc1cc(Br)ccc1O	846214303	LSQYMDAMBBQLKC-UHFFFAOYSA-N	356.264	2.344	10	10	FECE	
CN(C)c1cc(F)c(CNCCS(=O)(=O)CC(F)(F)F)cc1F	858189847	XEGIYQOXSQWQEP-UHFFFAOYSA-N	360.348	2.098	10	10	FECE	
Cc1cc(CC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)c(C)n1-c1ccccc1	861717769	BVQDLHHYKFOPEM-NHCUHLMSSA-N	367.493	2.304	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O	862028688	HUUZTMKAUZIFRG-NWDGAFQWSA-N	367.327	2.014	10	10	FECE	
NC(=O)[C@@H]1CC[C@H](CCC(=O)NCc2ccc(N3CCCCC3)cc2)O1	865032394	ZPSJMLIHQXWBDM-MSOLQXFVSA-N	359.470	2.106	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCC[C@H]1CCSC1	867423144	CNLNFTQULYDILL-AWEZNQCLSA-N	350.484	2.390	10	10	FECE	
CCc1nc[nH]c1C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O	907220294	HEDXKKKNVIJIME-UHFFFAOYSA-N	351.790	2.147	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3CCC([C@H]4COC(=O)N4)CC3)ccc21	915390780	PWBVIEQOVVXGRD-QGZVFWFLSA-N	372.469	2.099	10	10	FECE	
C[C@H](NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1cnn(C)n1	925676834	MDBKEXJPIFOIIU-INIZCTEOSA-N	354.502	2.198	10	10	FECE	
CC(C)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(C)C1=O	1084416648	UXASWBFAPOFFLO-XFFZJAGNSA-N	367.199	2.328	10	10	FECE	
CC1(C)CCC[C@H](CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)O1	1119736266	YRWZVZMDNOHNRB-GOSISDBHSA-N	371.481	2.143	10	10	FECE	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CC(=O)NCC23COC3)c1	1133366190	TWEYRZVLEGKYNC-UHFFFAOYSA-N	373.840	2.089	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)Nc2nc(CN3CCOCC3)cs2)cc1	1136307319	KHXTVKXJFPHOLJ-UHFFFAOYSA-N	374.426	2.390	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1	1153879603	RDNRVBQAXIBERR-MRXNPFEDSA-N	368.433	2.195	10	10	FECE	
CN(Cc1nnc2n1CCC[C@H]2C(F)(F)F)C(=O)c1cccc(O)c1O	1263928676	ZVUWCADVEXKNSW-SNVBAGLBSA-N	370.331	2.401	10	10	FECE	
CN(C)c1ccc(CNC(=O)[C@]2(N(C)C)COc3ccccc3C2)cc1F	1292281385	DVWDEDLDBWUTEM-OAQYLSRUSA-N	371.456	2.443	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@H]2CCCCN21	1299699634	VGPZGEITIRTKSX-IAGOWNOFSA-N	360.454	2.301	10	10	FECE	
CC1(C)[C@@H](N2CCOCC2)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1	1300189668	UYCAUGMJFFZRJG-CABCVRRESA-N	359.430	2.078	10	10	FECE	
Cc1ccc(O)c(CNC(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)c1	1312874190	FVEYVRFRAOFORO-INIZCTEOSA-N	357.385	2.444	10	10	FECE	
CS(=O)(=O)NC[C@H]1CCC[C@@H]1NCc1ccc(N2CCCC2)cc1	1325185167	PIVUTGYGCQJZBC-AEFFLSMTSA-N	351.516	2.094	10	10	FECE	
CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)N1Cc2cccc(O)c2C1	1329378366	HWRRVBNYZZVRDT-IBGZPJMESA-N	368.433	2.125	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCC2C[C@@H]3CC[C@H](C2)S3)cc1	1332581061	NHBXZAKBNNPLLN-ZXFUBFMLSA-N	361.511	2.159	10	10	FECE	
CNC(=O)N[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1	1447481091	HNKSXIBIZQZUSD-OAHLLOKOSA-N	358.417	2.377	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H](CO)c2ncc[nH]2)cc1	1456386734	VCXBRASGXVAKNG-SFHVURJKSA-N	366.421	2.022	10	10	FECE	
CN1C[C@@H]2CC[C@@H](NC(=O)NCc3cc(Br)ccc3O)[C@H]2C1	1519932083	UPTMLTMDPUQQGM-LEWSCRJBSA-N	368.275	2.294	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1	1556158004	PKDMCYXYXAGIFE-JSGCOSHPSA-N	372.396	2.337	10	10	FECE	
O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NCc1ccc(O)cc1O	1557084851	QKOJLILGTYEFDY-UHFFFAOYSA-N	368.311	2.163	10	10	FECE	
C[C@@H](NC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1)c1ccccc1O	1557966992	SSCLMSJCVPRCRL-VFVAKGGASA-N	358.419	2.274	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc4ncn(C)c4n3)CC2)cc1F	1566346673	IIMMXNLMXXRVQG-UHFFFAOYSA-N	369.400	2.078	10	10	FECE	
CO[C@H](C)CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	1585770045	QLVFWJKIUTURLM-SNVBAGLBSA-N	368.345	2.135	10	10	FECE	
CC(C)CNC(=O)[C@H]1CSCN1C(=O)c1ccc(N=NC(N)=O)cc1	1587617869	RENJLQWRKNOMKA-CYBMUJFWSA-N	363.443	2.136	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1c[nH]c2ncccc12	1639585358	WFPDBZJVMZJXKW-UHFFFAOYSA-N	353.378	2.474	10	10	FECE	
O=C(NCc1ccc2c(c1)C(=O)NCC2)NCc1cccc(Cl)c1O	1681236501	UJZIFBWORADCAR-UHFFFAOYSA-N	359.813	2.331	10	10	FECE	
CC[C@H](C)[C@@H](CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1)OC	1681299095	WRYMWYQVDZGZTN-QFBILLFUSA-N	362.518	2.299	10	10	FECE	
CCCN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)NCCCN=[N+]=[N-]	2060611824	YXDWOTWBGWFQPE-OLZOCXBDSA-N	355.439	2.465	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2060633335	MNDHZQGGFFCQIN-STQMWFEESA-N	353.423	2.170	10	10	FECE	
COc1ccc(O)c([C@H](C)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1	2062450590	HXUFHDNUEJHRDN-SGIREYDYSA-N	352.431	2.032	10	10	FECE	
CC[C@H](CN(C)C(=O)c1cc(O)c(O)c(O)c1)NC(=O)OC(C)(C)C	2068615977	VGXADAYJUHGORD-LLVKDONJSA-N	354.403	2.179	10	10	FECE	
CN(C(=O)C1=C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1cccc(F)c1	2080948230	SEIQBFZMWRSFMG-HUUCEWRRSA-N	350.390	2.373	10	10	FECE	
CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)c1cc2c(cc1N)OCC(=O)N2	2106872495	SDVDSFIYBPQHFF-NSHDSACASA-N	362.430	2.045	10	10	FECE	
C[C@H]1[C@H](C)N(C(=O)c2cc(O)c(O)c(O)c2)CCN1C(=O)OC(C)(C)C	2132405362	YVDRVIMNYFWDNO-QWRGUYRKSA-N	366.414	2.273	10	10	FECE	
CCOC(=O)[C@]1(NCCN=[N+]=[N-])CN(Cc2ccccc2)[C@]2(CCOC2)C1	2156294979	DUUBRWPDALPARH-RTBURBONSA-N	373.457	2.253	10	10	FECE	
Nc1ccc(CC(=O)N2CC[C@](CNC(=O)C(F)(F)F)(C3CC3)C2)cc1	2162979946	POFJAIGWGLMVHD-QGZVFWFLSA-N	369.387	2.119	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ccc4c(c3)COCC4)C[C@@H]2[C@H]1CO	2235546204	HGKNNRPZYPYLBI-YTQUADARSA-N	374.481	2.423	10	10	FECE	
O=C1C(=Cc2cccc3nccnc23)SC(=S)N1N1CCOCC1	2296597328	IIDYBGVMGFUABY-UHFFFAOYSA-N	358.448	2.078	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2312333807	BGTKFRMIPRVGOW-FVCCEPFGSA-N	353.423	2.094	10	10	FECE	
CC[C@@H](O)CN1CCN(C(=O)NCc2ccc(N(CC)CC)cc2)CC1	184899295	XQUBSJXGGHCQAH-LJQANCHMSA-N	362.518	2.131	10	10	FECE	
O=C(O)CCOc1ccc(/C=C2/SC(=S)N(CCCO)C2=O)cc1	210569380	NJKODFRVNPAANQ-JLHYYAGUSA-N	367.448	2.124	10	10	FECE	
COc1ccc(CN2CCN(C(=O)Cc3ccccc3F)CC2)c(O)c1	92535968	OJORUJKHBKXYEV-UHFFFAOYSA-N	358.413	2.427	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccccc1Cn1ccnn1	611658054	PYPQNZDWBYIXJN-UHFFFAOYSA-N	363.421	2.432	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1nnc(C(F)F)o1	631558605	ACRHFLSQOGOHKK-UHFFFAOYSA-N	352.341	2.431	10	10	FECE	
COC[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1	804027570	FLHKGJAKUXPMEU-KXBFYZLASA-N	369.465	2.434	10	10	FECE	
O=C(CNC(=O)CC1CCCC1)NCc1cc(Br)ccc1O	804739830	VDWUMJCEVCRUDY-UHFFFAOYSA-N	369.259	2.467	10	10	FECE	
CC(C)c1noc(CCCN2C(=O)CN(Cc3ccccc3O)C2=O)n1	819168066	LOCUQWWNDOVXIU-UHFFFAOYSA-N	358.398	2.296	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Nc3ccc(C(N)=O)cc3F)C2)cc1	821485604	AKOSLPVMLCUQBX-ZDUSSCGKSA-N	372.400	2.334	10	10	FECE	
COC(=O)CCCCNC(=O)NC1CCN(c2ccc(OC)cc2)CC1	726614154	PDSPAFIMSIBWAP-UHFFFAOYSA-N	363.458	2.307	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCCN(c2ncccn2)C1	734524886	DUBJFFSHLCUOIX-KRWDZBQOSA-N	368.485	2.319	10	10	FECE	
CC[C@@H](NC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1)C(F)F	836259326	GSXPNFOEDZVWQD-MRXNPFEDSA-N	370.444	2.160	10	10	FECE	
COC[C@@](C)(O)C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	745316443	FKTYLXXSZIMJPF-LJQANCHMSA-N	363.385	2.357	10	10	FECE	
C[C@@H](Cc1cccc(F)c1)N(C)C(=O)C(=O)NCCc1ccc(N)cc1	842237552	FHBOUBZNANFTPW-AWEZNQCLSA-N	357.429	2.156	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CNC[C@@H]3CCC[C@H]4C[C@H]43)CC2)cc1	849330229	MDHFUEOGLJXEKC-GWOFKNCZSA-N	373.541	2.204	10	10	FECE	
CC1(C)CCCN[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	844173605	KRKGPCXQUCUDFM-GOSISDBHSA-N	363.477	2.181	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1cncnc1OC	843397467	SOXYAJCKXSIGEC-UHFFFAOYSA-N	351.790	2.019	10	10	FECE	
Cc1ccc(CN2CC[C@@H](NC(=O)NCc3c(O)cccc3F)C2=O)cc1	922180179	VKDAEHJWDMAPGD-QGZVFWFLSA-N	371.412	2.440	10	10	FECE	
CCN(C(=O)NC1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCN(C)C1	853642513	HZCRLNNCEMLYNB-GOSISDBHSA-N	360.502	2.400	10	10	FECE	
COc1cc(N2CCC[C@H](C(=O)NC(C)C)C2)c([N+](=O)[O-])cc1OC	853963258	UHUHAMUFKAZUFE-LBPRGKRZSA-N	351.403	2.353	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)NC(=O)C3CCCCC3)C2)cc1	855231901	YEYNOASWNWOITP-WBVHZDCISA-N	373.497	2.475	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCc4nc[nH]c4C3)C2)cc1	854981743	ZVYALAYDKPACMX-HUUCEWRRSA-N	354.454	2.166	10	10	FECE	
C[C@H](NC(=O)C(=O)NCC1(C2(O)CCC2)CCC1)c1ccc(N(C)C)cc1	897865140	FRYJYDXWVNMAEH-HNNXBMFYSA-N	373.497	2.131	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)[C@]1(O)CN(C(=O)OC(C)(C)C)[C@H]1C	1887690000	BAYWSODIWYUXPS-ZLXGRDSLSA-N	361.486	2.310	10	10	FECE	
CC(C)(CNCc1c(O)cccc1Br)CS(C)(=O)=O	723875351	XKRADHYZQTXMNQ-UHFFFAOYSA-N	350.278	2.315	10	10	FECE	
C[C@]1(CNC(=O)C(=O)N2Cc3cccc(O)c3C2)CCOC2(CCC2)C1	1331867184	ANDMJXMBKGJXRB-IBGZPJMESA-N	358.438	2.090	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NCc2cccc(O)c2O)C1	1263896166	QKJSDTCLWVAVMP-GFCCVEGCSA-N	350.415	2.361	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(CN2CCCC2)n1C[C@@H]1CCOC1	1349311622	GHHIOGYEBZPXKO-INIZCTEOSA-N	371.485	2.252	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C34CCC(OC)(CC3)CC4=O)C2)cc1	1347819554	AWQJRNPGUNGWAM-TVRCVXMWSA-N	372.465	2.309	10	10	FECE	
CC[C@@H]1C[C@H]1C(=O)N1CCC(O)(CNCc2ccc(OC)c(C)c2)CC1	1274558294	LVEDJJFYAJUPQO-QZTJIDSGSA-N	360.498	2.493	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1	1463894717	BBWPNOBXAVFPSJ-OAHLLOKOSA-N	370.453	2.364	10	10	FECE	
CN(C)S(=O)(=O)c1ccc(NCc2c(O)cccc2F)c([N+](=O)[O-])c1	1612950825	XRPRROBAOBMVAE-UHFFFAOYSA-N	369.374	2.302	10	10	FECE	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@H]2CC[C@@H](C(N)=O)C2)cc1	1542490179	FZVIHCSYHZTYNH-ZIFCJYIRSA-N	373.497	2.162	10	10	FECE	
NC(=O)c1cn(CC(=O)NCc2cc(Cl)ccc2O)c2ccccc12	1639966187	XGJJSMXYHXLNHZ-UHFFFAOYSA-N	357.797	2.416	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1cccn(Cc2ccccc2)c1=O	1570462105	DPTGDQRABADHSI-UHFFFAOYSA-N	350.374	2.238	10	10	FECE	
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCc2cc(O)ccc2O)C1	1593873129	JPSLCUYJSXIVAM-AWEZNQCLSA-N	363.458	2.182	10	10	FECE	
C[C@@H](N=c1nc(CN(C)C(=O)OC(C)(C)C)[nH][nH]1)c1cc(O)ccc1O	2128847743	PFFXCBKFHKBUIZ-SNVBAGLBSA-N	363.418	2.178	10	10	FECE	
CC(C)(C)OC(=O)N1CC(c2nc(=NCc3c(O)cccc3F)[nH][nH]2)C1	2127694841	YOLBTJOYBPKDCD-UHFFFAOYSA-N	363.393	2.018	10	10	FECE	
Cc1cc(C(=O)NC[C@H](O)CN2CCCCC2)c(C)n1-c1ccccn1	160616815	PKUVWIAZAUYSMI-KRWDZBQOSA-N	356.470	2.066	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)NCc2ccc(N)cc2)C1	2136202180	LHPWYEMNRYRKIR-LJQANCHMSA-N	363.458	2.037	10	10	FECE	
N[C@@H](c1ccccc1O)[C@H](O)c1ncc(I)s1	1943691218	QKBQHPBPWGTZIH-UWVGGRQHSA-N	362.192	2.187	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CNC[C@]1(O)CCCOC1	1971052947	GCEZJYCCSLKKOB-CYBMUJFWSA-N	350.640	2.439	10	10	FECE	
CCOc1cccc(CNN2CCN(C(=O)OC(C)(C)C)CC2)c1O	2028918469	HDXLVTDIUWFLAQ-UHFFFAOYSA-N	351.447	2.348	10	10	FECE	
COc1cccc(CN[C@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)c1O	2031528205	NMKXDLWKAYJKJT-KBPBESRZSA-N	352.431	2.173	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)c2ccc(O)c(O)c2)C1	2054409646	FRBBLCVNFMJAJV-SFHVURJKSA-N	350.415	2.475	10	10	FECE	
CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N=[N+]=[N-])CC1	2060610704	KUDVHHRPWMDWQG-CYBMUJFWSA-N	354.455	2.133	10	10	FECE	
CC(C)(C)OC(=O)NC1CC2(C1)[C@H](C(=O)N1CC(N=[N+]=[N-])C1)C2(F)F	2086048313	UZXZGVXSNQAMKY-CFEOFWIRSA-N	357.361	2.446	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Nc2ccc(N)cc2)[C@H]2COC[C@H]12	2106698839	DQPAODNKJVMKNR-KFWWJZLASA-N	362.430	2.025	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](OCCNC(=O)Nc2ccc(N)cc2)C1	2109110286	SLPYMMWFYYRSRU-HNNXBMFYSA-N	364.446	2.416	10	10	FECE	
CC(C)S(=O)(=O)C[C@@H](C)NCc1cc(Br)ccc1O	2114190967	XTYUFDVWLPCIDZ-SNVBAGLBSA-N	350.278	2.456	10	10	FECE	
CC(C)(C)OC(=O)NCCCn1cnc(C(=O)NCc2ccccc2O)c1	2233452303	YDPOTWDUYDEJGS-UHFFFAOYSA-N	374.441	2.434	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4C[C@@]4(CN)C3)ccc(N)c2C1	2272655020	LRNARXNISZZZKF-RNODOKPDSA-N	358.486	2.347	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CP(C)(C)=O)C(=O)N1CC[C@H](N=[N+]=[N-])C1	2299098001	AIZAWOPRKLLRAJ-WDEREUQCSA-N	359.367	2.414	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCc3cc(O)c(O)cc3C2)C1	2341194621	WEIRBEKLIHRUHG-ZDUSSCGKSA-N	362.426	2.240	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1nnc(C)n1C1CC1	111238242	PDWIEOBUUGMCFX-UHFFFAOYSA-N	364.833	2.456	10	10	FECE	
Cn1nccc1CCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O	184159170	OVRCXICKVLKUGT-UHFFFAOYSA-N	359.385	2.168	10	10	FECE	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(C=O)cc3)c2)CC1	187119622	BQQCYRAMQHKFKR-UHFFFAOYSA-N	351.406	2.420	10	10	FECE	
O=C(CCc1cncc(F)c1)NCc1ccc(N2CCOCC2)c(F)c1	181765521	KARYEPAZIKMPFQ-UHFFFAOYSA-N	361.392	2.445	10	10	FECE	
O=C(CSc1nccs1)N1CCN(C(=O)c2cccs2)CC1	45031322	RUQXEMBMANNVJD-UHFFFAOYSA-N	353.494	2.281	10	10	FECE	
NC(=O)COc1ccc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)cc1	96469014	AMQHMXQILSLHFI-GDNBJRDFSA-N	365.345	2.057	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)c2cnc3c(C)cccn3c2=O)c1	91075443	XVTWPTIIAKLRMD-GFCCVEGCSA-N	353.378	2.208	10	10	FECE	
CCO[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])c(OC)c2O)[C@@H]1n1cccn1	816672259	UXWYJMNNGOULPN-CFVMTHIKSA-N	362.386	2.014	10	10	FECE	
Nc1ccc(CS(=O)(=O)NCc2sncc2Br)cc1	722762162	WMEZPCZKLPVMCV-UHFFFAOYSA-N	362.274	2.107	10	10	FECE	
COc1cc(N2CCN(C(=O)/C=C\c3ccc[nH]3)CC2)cc(OC)c1OC	588549463	CIIKVEOSZRPQFA-SREVYHEPSA-N	371.437	2.403	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@H](S(=O)(=O)NCc2ccccc2O)C1	914140560	JPXLCVMFGYQDPV-CQSZACIVSA-N	370.471	2.211	10	10	FECE	
Cc1cc(O)c(CNCC(=O)NCCN2CCCCCC2)c(Cl)c1	840950958	UZHFVSWNLHQGJU-UHFFFAOYSA-N	353.894	2.436	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC[C@@]1(C)C[C@]1(F)Cl	846733827	SDGAXUBEZDMEGJ-ZWKOTPCHSA-N	369.868	2.498	10	10	FECE	
COc1cc(Br)cc(CN2C[C@H](C)N(CCO)C[C@@H]2C)c1O	841892037	SAFFZOWGEXJDAH-RYUDHWBXSA-N	373.291	2.050	10	10	FECE	
CN(C)c1ccc(CNC(=O)NCC[S@](=O)CC(F)(F)F)cc1F	852460658	PNGHQXOGFSDQSE-DEOSSOPVSA-N	369.384	2.002	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cc(-c4ccn(C)c4)[nH]n3)C2)cc1	855223517	BBSXSZQLTBPRHU-HNNXBMFYSA-N	365.437	2.433	10	10	FECE	
CCOC(=O)[C@@H](CC1CC1)NCc1ccc(N2CCOCC2)c(F)c1	753567474	GGBBWIJUCWJUKB-QGZVFWFLSA-N	350.434	2.484	10	10	FECE	
CC[C@H](NC[C@H](O)CS(C)(=O)=O)c1ccc(Cl)c(Cl)c1O	927023030	GIHQJWASIVKMHV-KWQFWETISA-N	356.271	2.145	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3cccc(F)c3)C2)cc1	852454686	PWZDCYQBLIBLCB-LPHOPBHVSA-N	373.428	2.446	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H]2[C@H](CCN2C)C1	867529410	HSIKZBDHGOOIDZ-SJLPKXTDSA-N	373.497	2.074	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)O[C@@H](C)COC)cc2F)CC1	866746717	DPRDJDUZHVUZIW-AWEZNQCLSA-N	353.438	2.229	10	10	FECE	
CC(C)(CNC(=O)c1cc2cc(O)c(O)cc2s1)[C@@]1(O)CCOC1	898088435	OLUKHPDUEQXAKY-QGZVFWFLSA-N	351.424	2.220	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1cccn2ncc(Br)c12	1153886150	YGWMBHSXPVDZOS-UHFFFAOYSA-N	362.183	2.438	10	10	FECE	
Cc1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O)c(O)c1	1963050354	UXRRSDWFLRSFBU-AWEZNQCLSA-N	350.415	2.207	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCn3c(C)nnc3[C@H]2C)c([N+](=O)[O-])c1	1164400461	DTTKRRAJFDHYGZ-OKPNEXGHSA-N	357.370	2.262	10	10	FECE	
CCNCc1ccc(N2CCS(=O)(=O)[C@@H](C)C2)cc1Br	707153227	VTSUHHJMBZQHHH-NSHDSACASA-N	361.305	2.182	10	10	FECE	
C[C@@H](O)c1ccc(N(C)[C@H](C)CS(C)(=O)=O)cc1Br	688603824	WHMVHRZDVZKCRH-NXEZZACHSA-N	350.278	2.372	10	10	FECE	
COC(=O)C1(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)CC(CO)C1	1348296324	RFROZYJQZPDGMK-UHFFFAOYSA-N	370.449	2.446	10	10	FECE	
COc1cc(N2CCN(Cc3[nH]c(C)nc3C)CC2)cc(OC)c1OC	1354611011	BQGOBLVEMMLFPL-UHFFFAOYSA-N	360.458	2.375	10	10	FECE	
Cc1cc(CCNC(=O)N2CN(C)C(=O)[C@H]2C)c(C)n1-c1ccccc1	1479064591	TWRSJVXTMFUZAU-MRXNPFEDSA-N	354.454	2.466	10	10	FECE	
Cc1cc(CCNC(=O)C2CN([C@H]3CCOC3)C2)c(C)n1-c1ccccc1	1470850556	ZMIIBUXWGHSPEF-NRFANRHFSA-N	367.493	2.474	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NCCc1nc(-c2ccccc2)n[nH]1	1611277640	KYEVFLJEIIUIFW-CLFYSBASSA-N	350.378	2.255	10	10	FECE	
CON(C)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccccc2O)c1	1471195029	SOQYEFYRLFPWCC-LBPRGKRZSA-N	364.423	2.065	10	10	FECE	
CCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2124517295	JOIWFIWJBQEOGP-OLZOCXBDSA-N	367.450	2.465	10	10	FECE	
COc1ncc(Br)cc1CNC(=O)c1c(F)ccc(O)c1O	1648924178	PBGKGLTZIKVYBA-UHFFFAOYSA-N	371.162	2.333	10	10	FECE	
CC(C)n1ncc2cc(/C=C/C(=O)NCc3cccc(O)c3O)c(=O)[nH]c21	1644708930	VPEPJSYGRXAUOQ-VOTSOKGWSA-N	368.393	2.046	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)c1nccc(C(N)=O)c1[N+](=O)[O-]	1650088702	UEJYWJNJLOOVMR-UHFFFAOYSA-N	355.398	2.325	10	10	FECE	
COc1cc(Cl)cc(CN(Cc2ccccc2)CC2(O)CNC2)c1O	1915438957	NTAMWQZJBSMIRZ-UHFFFAOYSA-N	362.857	2.391	10	10	FECE	
CON1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1	1915782487	NLIOWKFBFSBNGU-UHFFFAOYSA-N	362.474	2.245	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1CC(=O)Nc1ccc(N)cc1	1905377657	NZOYRKHOCHBIDA-DAXOMENPSA-N	360.458	2.052	10	10	FECE	
CCN[C@H](c1ccccc1O)[C@H](O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	2136008499	JAZAADZNEZXSCM-BRWVUGGUSA-N	366.458	2.040	10	10	FECE	
COc1ccccc1N(C)C(=O)C1=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1	2136284131	CDICSPMZPBMPHR-HIFRSBDPSA-N	362.426	2.242	10	10	FECE	
COC(=O)[C@@H](CCNCc1cc(F)ccc1O)NC(=O)OC(C)(C)C	2028194514	CDUQCNOTZYYLDA-CYBMUJFWSA-N	356.394	2.077	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NCc1cc(F)cc(F)c1O	2031532229	JDPUBIZKPHAFIT-ZIAGYGMSSA-N	358.385	2.442	10	10	FECE	
C[C@H](N)c1ccc(N2CCC[C@@H](S(C)(=O)=O)C2)c(Br)c1	312809554	LKDYRCKIXYKUKS-CMPLNLGQSA-N	361.305	2.482	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CC[C@H](N=[N+]=[N-])C2)OCC12CC2	2064049126	CDVATCPVCALKEF-RYUDHWBXSA-N	351.407	2.066	10	10	FECE	
C[C@@H](NC(=O)CN(C)CCNC(=O)OC(C)(C)C)c1ccccc1O	2072480660	YHLZJQWVVRKSDE-CYBMUJFWSA-N	351.447	2.026	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)CCc3ccc(N)cc3)[C@@H]2C1	2106227940	HIADYQJHGSCCTG-IRXDYDNUSA-N	359.470	2.431	10	10	FECE	
COc1ccc(N2C[C@@H]3[C@H](C2)CN(C(=O)OC(C)(C)C)[C@H]3CO)cc1F	2227307521	IFNZTQLGQXNAIH-XPKDYRNWSA-N	366.433	2.498	10	10	FECE	
Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)OCO4)C2=O)c1	2297327129	FMIOCORUXMKKMM-UHFFFAOYSA-N	350.330	2.390	10	10	FECE	
CN1CCC[C@H]2CN(C(=O)C=Cc3ccc(N4CCOCC4)cc3)CC[C@H]21	2300813283	MFJOLVBXBISXKJ-PZJWPPBQSA-N	369.509	2.479	10	10	FECE	
C[C@H]1CN(CC2CCN(C(=O)C=Cc3ccc(O)c(O)c3)CC2)C[C@@H](C)O1	2307986859	ISBPJJFBDKOHOF-IYBDPMFKSA-N	374.481	2.459	10	10	FECE	
CC[C@H](O)CN1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1	106394664	WGTWPTREIGJRTM-KRWDZBQOSA-N	356.470	2.018	10	10	FECE	
Cc1cc(C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c(C)n1-c1ccccn1	174318227	RGPHBFODYNAFQB-JKSUJKDBSA-N	356.470	2.016	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)N(C[C@H]1CCCN1)C1CC1	186516911	YFFIWQIZKZGQSD-YPHWWSSASA-N	355.482	2.279	10	10	FECE	
CC(C)(C)OC(=O)CCNC(=O)/C=C\c1ccc(N2CCOCC2)cc1	255672063	GENVMVRYPXOVCP-TWGQIWQCSA-N	360.454	2.384	10	10	FECE	
COc1cc(Br)cc(CN2CCO[C@@H](C(=O)C3CC3)C2)c1O	811502259	OBHMOQPSSZIUGS-CQSZACIVSA-N	370.243	2.343	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@@H](F)[C@H](N)C2)CCCC1	659386778	GIXMAWGZRIKBRW-IAGOWNOFSA-N	359.445	2.426	10	10	FECE	
COc1cc(Br)cc(CN(C)[C@H]2CCN3CCO[C@H]2C3)c1O	824502319	ZYKQIDSWTUWYNG-ZFWWWQNUSA-N	371.275	2.068	10	10	FECE	
CN(C)c1ccc(/C=C\CNC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1	835054022	QWYWJHJAYFBPHH-OIIZEAPSSA-N	365.543	2.463	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CC[C@H](OC)C1	831706165	BCGGBZRURHPNJF-FZMZJTMJSA-N	355.818	2.362	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3snc(O)c3Cl)cc2)CC1	918852739	XHSLIRIICUUEKL-UHFFFAOYSA-N	366.874	2.184	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)c3cccc4c3OCC4)C2)cc1	849417243	NIZQDUWXSJJWSP-HNNXBMFYSA-N	374.462	2.187	10	10	FECE	
Cc1cc(C(=O)COC(=O)C2(O)CCC2)c(C)n1-c1ccc2c(c1)OCO2	740225919	GNIQVFAHOSTHRN-UHFFFAOYSA-N	371.389	2.464	10	10	FECE	
C[C@@H]1CCNC[C@H]1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	842266721	LUDPBZKNMCKGRD-CRAIPNDOSA-N	373.497	2.168	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CN1CCN(C2CC2)C1=O	854949448	VWERVHUCSIUXQB-HNNXBMFYSA-N	358.486	2.008	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3ccc(F)cc3)C2)cc1	850536610	LVIBILMXQMECDY-HNNXBMFYSA-N	357.385	2.168	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N(C)[C@H]3CC(C)(C)OC3=O)C2)cc1	854298238	YQHSSZRGXZGIRG-CJNGLKHVSA-N	361.442	2.009	10	10	FECE	
C[C@H](NC(=O)NCC1CCC(O)CC1)c1ccc(N2CCOCC2)cc1	853486855	HUXPRODKPPJXGL-LYGPFTKASA-N	361.486	2.435	10	10	FECE	
COc1cccc([C@]2(C)CCN(C(=O)C(=O)Nc3ccc(N)cc3)C2)c1	850850410	WWGCDNHHETYPLE-HXUWFJFHSA-N	353.422	2.406	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1c[nH]nc1[C@@H]1CCCO1	864930461	BXXPLEDAFUQLPU-KRWDZBQOSA-N	374.416	2.167	10	10	FECE	
COC(=O)c1cc(OCc2ccc(S(C)(=O)=O)o2)ccc1N(C)C	865395240	NGNKEEGXGKYICS-UHFFFAOYSA-N	353.396	2.115	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N(C[C@@H]2CCCO2)C2CCCC2)cc1	785421858	GFDFYFWTFXCLKI-IBGZPJMESA-N	373.497	2.319	10	10	FECE	
C[C@@H](CN(C)CCCN(C)C)NC(=O)c1cc2cc(O)c(O)cc2s1	898585263	QENLKCKRQDKCSF-LBPRGKRZSA-N	365.499	2.314	10	10	FECE	
C[C@@H](NC(=O)C(=O)NCC[C@H]1CC(C)(C)CO1)c1ccc(N(C)C)cc1	897865687	MAJGIBMIHTWHIV-PBHICJAKSA-N	361.486	2.251	10	10	FECE	
CO[C@@H](C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)C1CC1	791685485	QHLUKCDQYQFFIO-HXUWFJFHSA-N	357.498	2.260	10	10	FECE	
COC(=O)[C@@]12CCOC[C@@H]1CN(Cc1cc(C(C)(C)C)cc(O)c1O)C2	794683803	QAJHCTPKXJARTB-MGPUTAFESA-N	363.454	2.407	10	10	FECE	
O=C(NCc1ccc(O)cc1O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1	1142529970	JQWHKKOYJBAVGK-NSHDSACASA-N	362.332	2.045	10	10	FECE	
CC(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cc1ccc(O)c(O)c1	1159510324	IZXBKVGREUYWDI-INIZCTEOSA-N	373.405	2.025	10	10	FECE	
CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)NCc1ccccc1O	1150536956	VTJUFDTWJVASSI-HNNXBMFYSA-N	358.398	2.224	10	10	FECE	
Cc1c(CNC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)n(C)c2ccccc12	715613964	NTSGHSMYQWWCSY-UHFFFAOYSA-N	372.469	2.051	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCSC(C)(C)C2)cc1F	1334613724	JANABYHVZFHGGD-CYBMUJFWSA-N	367.490	2.298	10	10	FECE	
CCCNC(=O)OC[C@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1	1449108921	PVNDXOZFWPJEBX-CQSZACIVSA-N	350.415	2.158	10	10	FECE	
O=C(NCc1cc2c(cc1OC(F)F)OCO2)c1c(F)ccc(O)c1O	1611043414	OBTYSCHUMIQSAK-UHFFFAOYSA-N	371.267	2.497	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)c1ccnc2[nH]c(O)nc12	1544409466	PFRPPSCNWGLHIY-UHFFFAOYSA-N	369.450	2.147	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCCCNC(=O)c2ccccc2)cc1	1634106392	FXDBILCBSJGSGU-UHFFFAOYSA-N	353.382	2.399	10	10	FECE	
Cc1ccc(O)c(CNC(=O)CNC(=O)NCc2ccc(Cl)cc2)c1	1633282951	QMRRWUUEXPAWJZ-UHFFFAOYSA-N	361.829	2.470	10	10	FECE	
CN(C[C@@H](O)COCc1ccccc1)C(=O)c1ccc(N=NC(N)=O)cc1	1638544314	AVOWQERPRXKUQL-QGZVFWFLSA-N	370.409	2.499	10	10	FECE	
CCCCN(CC(=O)NCC(=O)OC(C)(C)C)Cc1ccccc1O	1658432481	AJJVYGIZNMWNOQ-UHFFFAOYSA-N	350.459	2.452	10	10	FECE	
COC(=O)CCN1C(=O)/C(=C/c2cccc(OC)c2OC)SC1=S	5662044	SPMFTPJJCWOPDQ-XFXZXTDPSA-N	367.448	2.468	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccnc1-n1cccn1	152976461	SVRXHTRSOHWOCB-LBPRGKRZSA-N	353.382	2.431	10	10	FECE	
O=C1N=C(NS(=O)(=O)c2ccccc2)S/C1=C\c1ccccc1O	5595377	JAHRYEKCGSCTLT-UVTDQMKNSA-N	360.416	2.341	10	10	FECE	
O=C(O)c1ccc(N=c2[nH]c(-c3ccccc3)ncc2C(=O)O)c(O)c1	1859858261	JQUUXYQJGCSSJO-UHFFFAOYSA-N	351.318	2.411	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C2=C(O)C(=O)N(CCN(C)C)C2=O)cc1	1872957233	YGUPTQSVUYAQNC-UHFFFAOYSA-N	353.422	2.294	10	10	FECE	
CNCc1ccc(N(C)[C@H]2CS(=O)(=O)C2(C)C)c(Br)c1	2153858090	WGUIZQCMHRHRGK-ZDUSSCGKSA-N	361.305	2.180	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H](CNCc2ccc(O)c(O)c2)C1	2040716289	IDMMWKJNVJKETE-AWEZNQCLSA-N	352.431	2.071	10	10	FECE	
CNCc1ccc(N2CCC(S(C)(=O)=O)CC2)c(Br)c1	313035782	QQQBGYGYZHVKDZ-UHFFFAOYSA-N	361.305	2.182	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N(C)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21	2163028190	BAEQNXNLEMPFBT-VDNDLQMASA-N	374.485	2.393	10	10	FECE	
C[C@H](N)c1ccc(N2CCC[C@H](S(C)(=O)=O)C2)cc1Br	380669054	VTUCMKFTTYTGSF-JQWIXIFHSA-N	361.305	2.482	10	10	FECE	
C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)CCOc1ccc(N)cc1	2044620139	IUVKCGSWSSYXBY-CYBMUJFWSA-N	351.447	2.409	10	10	FECE	
COC1(CCNCc2ccc(O)c(O)c2)CN(C(=O)OC(C)(C)C)C1	2048137337	MFXAERYPOJQUDP-UHFFFAOYSA-N	352.431	2.213	10	10	FECE	
C[C@H](COCC(=O)N1CCC[C@H](CN=[N+]=[N-])C1)NC(=O)OC(C)(C)C	2060634573	BJROYGBGLWAPJF-CHWSQXEVSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)NCC2(CN=[N+]=[N-])CC2)C1	2060637366	KKCNTYZFLDDPJP-LBPRGKRZSA-N	353.423	2.219	10	10	FECE	
COCC[C@@]1(C(=O)N2CC(N=[N+]=[N-])C2)CCCN1C(=O)OC(C)(C)C	2082231692	RFPYHWJBJSTXEM-MRXNPFEDSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	2085021286	DJTHQNUXPHXKAL-QWHCGFSZSA-N	350.415	2.060	10	10	FECE	
CN[C@@H](c1ccc2c(c1)CCN2C)[C@@H](O)C1(NC(=O)OC(C)(C)C)CC1	2106860732	UXIUKMGGLWJFTG-DLBZAZTESA-N	361.486	2.358	10	10	FECE	
O=C(NC[C@H]1CC1(Br)Br)c1cccc(O)c1O	2213083154	JTTPZMPVXFNGNG-ZCFIWIBFSA-N	365.021	2.334	10	10	FECE	
COCC1(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])CN(C(=O)OC(C)(C)C)C1	2218738822	RESRRQBCMAWMQA-RYUDHWBXSA-N	353.423	2.218	10	10	FECE	
Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-]	2225791889	IFUISVDTVPWUBW-RYUDHWBXSA-N	363.422	2.406	10	10	FECE	
CN1CCc2cc([C@H](N)[C@@]3(O)CN(C(=O)OC(C)(C)C)CC34CC4)ccc21	2236362327	WWJWNMBOUWIOOT-UWJYYQICSA-N	373.497	2.441	10	10	FECE	
C[C@@H]1OC2(C(=O)N3CC[C@H](CN=[N+]=[N-])C3)CC1(NC(=O)OC(C)(C)C)C2	2266071092	VBGHIJVUPLFMPF-YKDGJLSTSA-N	365.434	2.360	10	10	FECE	
COc1cc(C=C2SC(=S)N([C@@H](C)C(=O)O)C2=O)cc(OC)c1O	2297448937	LIWMOTODMOVWHO-ZETCQYMHSA-N	369.420	2.084	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCc3ncnn3C2)cc1F	112749970	FRCURZIUIHCMFH-CQSZACIVSA-N	360.437	2.078	10	10	FECE	
O=C(c1ccc(O)c(O)c1)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21	404158056	IFGCDGCMZFSTHE-XLIONFOSSA-N	368.433	2.213	10	10	FECE	
COC(=O)[C@](C)(N)c1cc(Br)cc(Br)c1O	309562783	RODYSOCYTIAZET-SNVBAGLBSA-N	353.010	2.264	10	10	FECE	
CCN1CCN(c2ccc(C(=O)NCc3ccc(O)c(O)c3)cc2F)CC1	182540750	XAPFBUZDPKYXOB-UHFFFAOYSA-N	373.428	2.309	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)C3[C@@H]4[C@H]5CC[C@@H](C5)[C@@H]34)cc2)CC1	248679825	CGZRUVWTXRZMHR-RAUXBKROSA-N	367.493	2.263	10	10	FECE	
Cc1nc(F)ccc1/C=C1\SC(=S)N(CCN2CCOCC2)C1=O	278187119	FTVLGBLGCQNSGX-RAXLEYEMSA-N	367.471	2.063	10	10	FECE	
Cn1cc(CC(=O)NCc2cccc(Br)c2O)c(Cl)n1	816496766	WIOMVFXHWXIAIL-UHFFFAOYSA-N	358.623	2.401	10	10	FECE	
CCN(CC)c1ccc(CN2CCN(S(C)(=O)=O)[C@H](C)C2)cc1F	827270571	BNPJUVJGHYGGNR-CQSZACIVSA-N	357.495	2.138	10	10	FECE	
COC(=O)/C=C\c1ccc(N(C)Cc2nnc3ccccn23)c([N+](=O)[O-])c1	749391889	HKZBAMGGQXMPEK-CLFYSBASSA-N	367.365	2.460	10	10	FECE	
O=S(=O)(NCc1ccc(O)cc1O)C1(COCc2ccccc2)CC1	916424173	CSDSBFRVECPAIY-UHFFFAOYSA-N	363.435	2.267	10	10	FECE	
Cc1cc(Br)c(O)c(CNCC2(C(=O)O)CCOCC2)c1	843038378	GRBVMSLGIYREAT-UHFFFAOYSA-N	358.232	2.434	10	10	FECE	
CN1CC[C@@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	742804724	AZUWBTKYEYFCAW-KGLIPLIRSA-N	353.413	2.325	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CCC[C@@H](CCF)C3)nc12	852533008	ONDIPBZZIOYPFE-LBPRGKRZSA-N	350.394	2.183	10	10	FECE	
CCOC(=O)C[C@@H](O)COC(=O)Cc1cc(C)n(-c2ccccc2)c1C	859749294	BVNGWXNVTSVYQS-GOSISDBHSA-N	359.422	2.494	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3c4ccccc4C[C@H]3O)C2)cc1	854301446	POVPUSKZFDLUHV-CWFSZBLJSA-N	367.449	2.231	10	10	FECE	
COC(=O)c1cn([C@@H]2CCCN(Cc3cc4c(cc3O)CCC4)C2)nn1	762461923	QTMFZVSMPQNVPC-MRXNPFEDSA-N	356.426	2.096	10	10	FECE	
O=S1(=O)CCN(Cc2ccc(N3CCOCC3)cc2)[C@H]2CCCC[C@H]21	769415365	YZGBXQXEYMKNKH-RBUKOAKNSA-N	364.511	2.065	10	10	FECE	
CC(C)(C)OC(=O)NC1(C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)CC(CO)C1	1879576830	OOTGSOYVXLQVBU-UIORMTCPSA-N	367.450	2.344	10	10	FECE	
COc1cc(NS(=O)(=O)c2cc(C)cc(C(=O)O)c2F)ccc1O	797819996	AJLJSSKSMGSQPH-UHFFFAOYSA-N	355.343	2.347	10	10	FECE	
COc1ccc(O)c(CNC(=O)Nc2ccc3c(c2F)CCNC3=O)c1	794375186	REPOZJXQXDNPKR-UHFFFAOYSA-N	359.357	2.148	10	10	FECE	
O=C(NCc1c(O)ccc2ccccc12)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	1179028794	DHFKYCWFNWWMAV-UHFFFAOYSA-N	361.357	2.005	10	10	FECE	
CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)N1Cc2cccc(O)c2C1	1175038692	SSOLIFVTBGWTRM-MRXNPFEDSA-N	370.409	2.450	10	10	FECE	
COc1ccc([C@H](C)NC(=O)C(=O)N(C)Cc2ccccc2O)cc1F	1323453161	LMTSPMSLGVTPOF-LBPRGKRZSA-N	360.385	2.376	10	10	FECE	
CNc1cc(CNC(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)ccn1	1351612078	JPAFDABBBNNSLM-INIZCTEOSA-N	369.469	2.458	10	10	FECE	
CCOc1nc(C)ccc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1	1438902253	OZYVIUBUUAXOKV-UHFFFAOYSA-N	368.481	2.471	10	10	FECE	
Cc1ncccc1/C=C\C(=O)N1CCOc2ccc(S(C)(=O)=O)cc21	1515920747	GNLKIIKVZOQQAO-YVMONPNESA-N	358.419	2.232	10	10	FECE	
C[C@]1(C(=O)NCc2ccc3cccnc3c2O)Oc2ccccc2NC1=O	1451960660	OHFJAQCYDVWYLF-HXUWFJFHSA-N	363.373	2.346	10	10	FECE	
NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2cccc(O)c2O)c1	1463868435	BWEFWEFUANFFPE-UHFFFAOYSA-N	355.394	2.439	10	10	FECE	
CON(C)C1CN(C(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)C1	1639525656	RCRMZQJMDDKLBA-UHFFFAOYSA-N	355.438	2.153	10	10	FECE	
CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(O)cs2)cc1	1587108374	VWOYFVLGPWGQJZ-JTQLQIEISA-N	362.407	2.387	10	10	FECE	
CN(C)c1ccc([C@H](NC(=O)c2ccc(N)c(O)c2)c2nccn2C)cc1	1866096441	OVAHBQITYMDIFU-SFHVURJKSA-N	365.437	2.293	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc(O)c(O)c(O)c1	2132404010	OJSCNWSEZCUKAF-ZYHUDNBSSA-N	366.414	2.321	10	10	FECE	
COc1cc(N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)ccc1CN	2139699016	PWUNGUYWIXXLOO-NRFANRHFSA-N	355.482	2.227	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H]2COC[C@H]2N(C)C(=O)OC(C)(C)C)c1O	2139741936	QZGHTAKFHWIDTQ-HUUCEWRRSA-N	364.442	2.199	10	10	FECE	
CN[C@H](c1ccccc1O)[C@@H]1[C@@H](OC)[C@H](OC)CN1C(=O)OC(C)(C)C	2140528693	WCEIQMRDEJODJB-VQHPVUNQSA-N	366.458	2.302	10	10	FECE	
O=C(OCc1ccccc1)N1CCOC[C@@H](NCc2cccc(O)c2O)C1	1946790936	BWRFSBXRYXLDDM-KRWDZBQOSA-N	372.421	2.225	10	10	FECE	
CCS(=O)(=O)[C@@H]1CCN(c2ccc([C@H](C)N)c(Br)c2)C1	2179894669	RROQLJAEDCTZAA-CMPLNLGQSA-N	361.305	2.482	10	10	FECE	
CNC(=O)c1nn(Cc2cccc(C)c2O)c(C(F)(F)F)c1[N+](=O)[O-]	2079176801	UJXOOYPKTQYKFC-UHFFFAOYSA-N	358.276	2.232	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)C(C)(C)N1CCN(C(=O)OC(C)(C)C)CC1	2060621918	SZUZJPAOKPHNSH-UHFFFAOYSA-N	354.455	2.086	10	10	FECE	
CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(Cc2cc(N)ccc2O)C1	2106669986	WCAUYJMPFOATCH-MRXNPFEDSA-N	365.474	2.168	10	10	FECE	
COc1cc(N)c(N2CC[C@@H](NC(=O)C(F)(F)F)C[C@H]2C)cc1OC	2106880386	IWQYRAKSSGHDTE-NXEZZACHSA-N	361.364	2.322	10	10	FECE	
Cc1nn(CC(=O)Nc2ccc(N)cc2)c(C)c1I	2093911396	NTMDGHKZGZUWSE-UHFFFAOYSA-N	370.194	2.325	10	10	FECE	
COc1ccc(C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1	2296709458	RXUPYOOICPCNPB-NSHDSACASA-N	369.489	2.084	10	10	FECE	
CCc1ccc(C=C2C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)cc1	2297352705	NPUPGYLADHOMSV-UHFFFAOYSA-N	369.450	2.158	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1	2308002092	UQRMWUDWPUJVHZ-ZBFHGGJFSA-N	356.422	2.113	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2312649343	ZYMJOPWRUWRNFN-QNWHQSFQSA-N	353.423	2.094	10	10	FECE	
C[C@@H](NC[C@@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(O)cc1O	2330272683	DFWZAHXGBQRYOM-DJZPMSPPSA-N	366.458	2.413	10	10	FECE	
COCCN1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1C	172326636	HOQQWVLFDPBWJS-KRWDZBQOSA-N	360.502	2.149	10	10	FECE	
C[C@H](O)CN1CCC(CN(C)Cc2ccc(N3CCOCC3)cc2)CC1	121108329	XAKDWVHIDRRDBT-SFHVURJKSA-N	361.530	2.048	10	10	FECE	
CC1=NN(c2ccc3nncn3n2)C(=O)/C1=C\Nc1ccccc1Cl	36365583	NHCMITCJBXWBID-FLIBITNWSA-N	353.773	2.496	10	10	FECE	
CN(c1cccnn1)C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	180787072	UUVASHXVAAQLNR-FNORWQNLSA-N	354.410	2.028	10	10	FECE	
COC(=O)[C@H](O)C1CCN(C(=O)c2cc(C)n(-c3ccccc3)c2C)CC1	133824310	XHQJHGASVITCNW-LJQANCHMSA-N	370.449	2.480	10	10	FECE	
C[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)CCN1CCO	190237365	LTYLUYWHWQVQGD-QGZVFWFLSA-N	356.466	2.470	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)N1C[C@@H](C)c2ccccc21	134611739	DZEFFXFNKQUXKU-OLZOCXBDSA-N	354.406	2.295	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc(N4CCCC4)ncn3)CC2)cc1	238929778	UZBHGWGBZVPUPO-UHFFFAOYSA-N	367.453	2.048	10	10	FECE	
CC[C@@H](C)NC(=O)c1ccnc(N2CCN(c3ccc(OC)cc3)CC2)n1	244272705	WPISXKSTJQOQEX-OAHLLOKOSA-N	369.469	2.340	10	10	FECE	
CCOC(=O)[C@@H]1CCCN(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)C1	255866675	DOIZZWNOWUFOKD-IEODJVTJSA-N	372.465	2.338	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CC[S@](=O)[C@H](C)[C@H]2C)c([N+](=O)[O-])c1	265672159	ZTHWFEBPGAQJMJ-KDZMQVRGSA-N	352.412	2.127	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@](O)(c4ccc(F)cc4)C3)cc2N1	375043083	TXHKTMGSVTUYML-SFHVURJKSA-N	373.340	2.163	10	10	FECE	
COc1nnc(NC(=O)NCc2ccc(N3CCSCC3)cc2)s1	801747968	CVUPYLBCYZUTMQ-UHFFFAOYSA-N	365.484	2.422	10	10	FECE	
CCO[C@@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)[C@H]1n1cccn1	815167367	ZRBOTALTKOACJF-XUVXKRRUSA-N	356.470	2.228	10	10	FECE	
CON1CCC(CC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1	823834864	OVQZIGVDYCSGGF-INIZCTEOSA-N	361.486	2.364	10	10	FECE	
COc1ccc(N2CCCN(C(=O)C[C@@H]3CCOC[C@H]3OC)CC2)cc1	822656328	UYZJUWOVVPMKTO-QFBILLFUSA-N	362.470	2.176	10	10	FECE	
COC(=O)c1cnc(SC[C@@H](O)CN2CCc3ccccc3C2)s1	834382166	FOZNWSMEPFIQHC-AWEZNQCLSA-N	364.492	2.441	10	10	FECE	
CN(C)c1ccc(/C=C/CNCC2CCN(S(C)(=O)=O)CC2)cc1	835036943	LYEFHFLBCYDDAS-SNAWJCMRSA-N	351.516	2.027	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)/C=C\C3(C)CCOCC3)cc2)CC1	918847164	YSDZTVOHJHVECG-FPLPWBNLSA-N	357.498	2.428	10	10	FECE	
COC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1C	855228890	HLPXUQQFPLXIOO-CQSZACIVSA-N	371.437	2.435	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@@H](C4CCC4)C3)C2)cc1	852449454	TYBHNHXMZYYMOY-QFBILLFUSA-N	359.470	2.484	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3Cc4cccc(O)c4C3)C2)cc1	854020772	MVXNBMUHMKDARL-HZPDHXFCSA-N	367.449	2.446	10	10	FECE	
CC(C)OC[C@H](N)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	851630963	UGILMFFYFWYMDY-BBRMVZONSA-N	371.428	2.125	10	10	FECE	
C[C@H](NC(=O)NCC1(C2(O)CCOCC2)CC1)c1ccc(N(C)C)cc1	922053924	GMOVBRKNTLKXKF-HNNXBMFYSA-N	361.486	2.435	10	10	FECE	
COC(=O)Cc1occc1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	855226090	QAUSCCXMWAGEEQ-CYBMUJFWSA-N	358.394	2.012	10	10	FECE	
CCC/C(C)=C\C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	920290225	AKHVYWTXUKPWLD-SQFISAMPSA-N	350.484	2.284	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc(CN(C)C)nc3)C2)cc1	855227630	ZOTPSINVQHDFOZ-KRWDZBQOSA-N	354.454	2.161	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cn4c(n3)CC[C@@H](C)C4)C2)cc1	857964828	YMLCXQSECUJQDS-HUUCEWRRSA-N	354.454	2.483	10	10	FECE	
COc1cc(Br)cc(CN[C@H]2CCN(C3CCC3)C2=O)c1O	858343111	SSJURBXVZKSPCT-ZDUSSCGKSA-N	369.259	2.406	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[C@](CN)(C(C)(C)C)C1	866707174	SXVHXLIGQMHUAK-OAQYLSRUSA-N	360.546	2.408	10	10	FECE	
COCc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2O)cc1OC	861702837	ZEJATXVZGYYVPT-UHFFFAOYSA-N	358.394	2.144	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc(-c4cn[nH]c4)cn3)CC2)cc1	864470819	QNXAEGPCMZWJEN-UHFFFAOYSA-N	363.421	2.443	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCCN(C(=O)C2CC2)C1	862028819	LJJMEIBBXNYVHR-MRXNPFEDSA-N	353.422	2.205	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCOC1(C)C	1118679231	BIHPXXSHEBPEMP-INIZCTEOSA-N	362.470	2.452	10	10	FECE	
CN1CC[C@@H]2CN(C(=O)c3csc(Cc4ccc(N)cc4)n3)CC[C@@H]21	870982223	MABOKEGZLZYEIK-PBHICJAKSA-N	356.495	2.482	10	10	FECE	
NCC1(NC(=O)Nc2ccc(N)cc2)CCN(Cc2ccccc2)CC1	1876163009	MXBCEKOFMKAENW-UHFFFAOYSA-N	353.470	2.384	10	10	FECE	
COCCO[C@H]1CCN(Cc2c(C(=O)OC)n(C)c3ccc(F)cc23)C1	894530138	CLYKZUYGWQAAKU-AWEZNQCLSA-N	364.417	2.341	10	10	FECE	
Cc1cc(CCNC(=O)N2C[C@H](C)O[C@@H](CO)C2)c(C)n1-c1ccccc1	786689968	PXDHMQYOVUAUML-OXJNMPFZSA-N	371.481	2.428	10	10	FECE	
COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)c(OC)c2)ccc1F	797819349	GSZTWRQKCTWYIU-UHFFFAOYSA-N	355.343	2.127	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CC(=O)N(C)[C@H](C)C2)cc1F	799924689	GSNHXPMJLRATJO-CYBMUJFWSA-N	350.438	2.044	10	10	FECE	
CCCN(C(=O)C(=O)N1Cc2cccc(O)c2C1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C	1330430143	DQEUMUXHRBNNON-OLMNPRSZSA-N	372.465	2.287	10	10	FECE	
C[C@H](O)C(C)(C)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1351512385	DLVCJFJMPRCHDI-WMLDXEAASA-N	350.507	2.062	10	10	FECE	
CNc1ccc(C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)nc1	1446815450	LCLBTJAWZKDIFJ-UHFFFAOYSA-N	363.801	2.298	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N2C[C@@H](CO)OC[C@H]2C)CCCC1	1446085209	KHQPFOGNSHZNRO-ZBFHGGJFSA-N	372.465	2.137	10	10	FECE	
COc1ccc(O)c(CNC[C@H]2C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C2)c1	2116204442	BQJFCYSJAOHNQL-YLQAJVPDSA-N	366.458	2.155	10	10	FECE	
Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)c1cccc(O)c1O	1625914674	OAXARGBSKROFNT-UHFFFAOYSA-N	371.393	2.063	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)N(C)C)cc1	1640232178	JTPMKQIQRANTJD-KRWDZBQOSA-N	372.425	2.399	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)NCc1cc(O)ccc1O	1643882184	PTUIPTTYLFZJAX-LLVKDONJSA-N	360.357	2.263	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)[C@H]2CSCN2)N2CCCCC2)cc1	1866108820	NSBQBMZMZOJPQG-MSOLQXFVSA-N	362.543	2.058	10	10	FECE	
CN1CCC(OCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1	935033547	DLLHAILBHXPYIN-GOSISDBHSA-N	362.470	2.011	10	10	FECE	
COc1cc([C@H]2[C@@H](C(=O)O)CCN2C(=O)OC(C)(C)C)cc(O)c1O	1952909739	JLLNXBRFGBPVAI-GWCFXTLKSA-N	353.371	2.489	10	10	FECE	
CC(C)(C)OC(=O)N1CC(O)(CCNCc2ccc(F)c(F)c2O)C1	2027275957	NJKAAPFZJGEKDK-UHFFFAOYSA-N	358.385	2.132	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(CCCC(=O)Nc3ccc(N)cc3)C[C@@H]21	2164055517	URVRJSIQZOVONP-VQFNDLOPSA-N	374.485	2.442	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H]1CO[C@@H](CNC(=O)OC(C)(C)C)C1	934705162	SFKADLDGGHYKGD-HUUCEWRRSA-N	364.442	2.280	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1CC(=O)N1CC[C@H](N=[N+]=[N-])C1	2060612046	BIYODKWKOGMYID-RWMBFGLXSA-N	353.423	2.218	10	10	FECE	
COC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NCc1cccc(C)c1O	2084062032	BCBJORXGBFLDGA-GOSISDBHSA-N	352.431	2.247	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1CC2(CCN2C(=O)OC(C)(C)C)C1	2106764871	JHLGAQUAIBDEIS-CYBMUJFWSA-N	360.458	2.291	10	10	FECE	
COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Nc1ccc(N)cc1	2106701909	WUSHEURYXHWTDC-HNNXBMFYSA-N	364.446	2.368	10	10	FECE	
COC(=O)[C@@H](CCN[C@@H](C)c1ccc(O)cc1O)NC(=O)OC(C)(C)C	2088543017	NWSIYYVOAJDLPZ-SMDDNHRTSA-N	368.430	2.205	10	10	FECE	
COC(=O)[C@H](CCNCc1cc(F)cc(F)c1O)NC(=O)OC(C)(C)C	2088542439	IFRFLAICXFJRDN-ZDUSSCGKSA-N	374.384	2.216	10	10	FECE	
COc1ccccc1N1C(=O)C(=Cc2ccc(O)cc2)C(=O)NC1=S	2293763633	YQXJZPQHAGSIDR-UHFFFAOYSA-N	354.387	2.232	10	10	FECE	
CCOC(=O)[C@@H](C)[C@H](C)NC(=O)C=Cc1ccc(N2CCOCC2)cc1	2308371683	MCIFACQFYQVQDR-HOTGVXAUSA-N	360.454	2.240	10	10	FECE	
C[C@@H](NCCOC1CN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1O	2315575218	RYMOSDFYHMAZQP-GFCCVEGCSA-N	352.431	2.384	10	10	FECE	
CN(C)c1ccc(CNC(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cc1	104770766	OVDRTNGJPYEPBM-MRXNPFEDSA-N	372.444	2.035	10	10	FECE	
COc1cccc(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)c1O	179358989	HQVBMJHMHWMLNS-MAUKXSAKSA-N	372.396	2.376	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCN([C@H]4C[C@H]5CC[C@H]4C5)CC3)cc2N1	301675900	HKFZOKFVHBMFHW-YDHLFZDLSA-N	372.425	2.236	10	10	FECE	
CN(Cc1ccccc1O)C(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C	120223064	DDSJHKPGEGRIJE-UHFFFAOYSA-N	352.394	2.117	10	10	FECE	
COc1ccc(O)c([C@@H](C)NCC(=O)NCCN2CCc3ccccc32)c1	182433250	NOMAORKEUGOVQP-OAHLLOKOSA-N	369.465	2.230	10	10	FECE	
CCc1cnccc1C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1	188125696	GXHRISJXDZOLKS-UHFFFAOYSA-N	366.465	2.243	10	10	FECE	
CCn1cc(CN2CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)cn1	180758643	KTGUZTUFVBZFRE-FNORWQNLSA-N	370.453	2.062	10	10	FECE	
COc1ccc(/C=C2\SC(=S)N(CCN3CCOCC3)C2=O)s1	268612284	RVRIQMNTJYTQPR-BENRWUELSA-N	370.521	2.290	10	10	FECE	
CNC(=O)C[C@H](C)NC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	456499125	HAUPGFVRNFPKQY-HNNXBMFYSA-N	370.497	2.049	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCOC[C@@H]2[C@@H]2CCCO2)c([N+](=O)[O-])c1	804801616	BCPFTLBRMBPODU-DBZNTZSBSA-N	362.382	2.165	10	10	FECE	
CCN(C)c1ccc([C@@H](C)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1	806169632	IMFQVNGIBOUBCH-NVXWUHKLSA-N	368.547	2.064	10	10	FECE	
COC(=O)C[C@@H]1COCCN1Cc1c(O)c(C(=O)OC)cc2ccccc12	808212855	XBAJIUPWYFDQPL-CQSZACIVSA-N	373.405	2.096	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnc2ccc(C)cn2c1=O	819760270	CDFQWRJMRAJYGI-UHFFFAOYSA-N	358.394	2.124	10	10	FECE	
Cc1cc(C(=O)CN2CCN(C3CC3)C(=O)C2)c(C)n1-c1ccc(F)cn1	827979785	WCSPSSXWSWMZMB-UHFFFAOYSA-N	370.428	2.118	10	10	FECE	
COC(=O)C[C@]1(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)CCOC1	832258648	FDOZFGXMFABIBB-OAQYLSRUSA-N	370.449	2.475	10	10	FECE	
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NC1CCN(c2ccc(OC)cc2)CC1	906512823	XXKRUGPYMRDFLT-ZWKOTPCHSA-N	360.454	2.370	10	10	FECE	
CN1C(=O)N[C@]2(CCC[C@H]2CNC/C=C/c2ccc(N(C)C)cc2)C1=O	835043439	QZOVJALCZRFZPT-SCBMPYLRSA-N	356.470	2.076	10	10	FECE	
COc1c(C)cccc1CNC(=O)C(=O)NCc1ccc(N(C)C)cc1	848929352	DXSHSDUUZXXEAZ-UHFFFAOYSA-N	355.438	2.002	10	10	FECE	
CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccc(N3CCOCC3)cc2)C1	843432425	LEYSMMGJUUFNLR-KRWDZBQOSA-N	371.403	2.024	10	10	FECE	
COc1ccc(N2CC[C@H](N3C(=O)N[C@H](CC(F)(F)F)C3=O)C2)cc1	849358557	YGZLWENXLXOZNG-WCQYABFASA-N	357.332	2.147	10	10	FECE	
C[C@H]1CCCc2nc(S(=O)(=O)NNc3nc4cccnc4s3)cn21	857225375	KRKNRVUPDKWHAH-VIFPVBQESA-N	364.456	2.091	10	10	FECE	
CO[C@H](C(=O)Nc1c(-c2ccccn2)nc2ccccn12)[C@@H]1CCOC1	854513453	JZKAHZWJGYJNLT-DYVFJYSZSA-N	352.394	2.386	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3C[C@@H](O)C34CCC4)C2)cc1	854187250	JQGQWEFTWBCXDV-FHLIZLRMSA-N	359.470	2.124	10	10	FECE	
C[C@H](NC(=O)N1CCc2c[nH]nc2C1)c1ccc(N2CCOCC2)cc1	750809382	BADDTZPMBQSCHW-AWEZNQCLSA-N	355.442	2.075	10	10	FECE	
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1	756667784	YFQPBEORQMEYCX-ZDUSSCGKSA-N	373.413	2.139	10	10	FECE	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2CCCN(c3cnn(C)c3)C2)c1	756613077	NTESEHITVDLJMW-HIFRSBDPSA-N	358.442	2.232	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)NCCO[C@@H]3CC3(F)F)C2)cc1	852386358	CPKLWCGJKBDVQR-XJKSGUPXSA-N	369.412	2.245	10	10	FECE	
C[C@@H]1CCC[C@H](CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)O1	852580011	DPOCTTKSEBUKCO-DNVCBOLYSA-N	361.486	2.405	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3nc([C@@H]4C[C@H]4C)no3)CC2)cc1F	865952405	SMEVRIGNSBIORT-DGCLKSJQSA-N	360.389	2.303	10	10	FECE	
C[C@H](NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)C(C)(C)O	769058347	XNTOQQMBHUPMPQ-INIZCTEOSA-N	374.529	2.177	10	10	FECE	
C[C@@H]1C[C@@H]1c1noc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)n1	865909577	VPJYXEWHQIAFAL-RISCZKNCSA-N	374.416	2.223	10	10	FECE	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc2nccn2c1	774274467	FRZSPOIARBUXEM-UHFFFAOYSA-N	364.405	2.174	10	10	FECE	
CC(=O)N1CCc2c(NC(=O)C(=O)N[C@@H](C)c3ccccc3O)cccc21	874191168	AEGPVSDQRDDIIB-LBPRGKRZSA-N	367.405	2.117	10	10	FECE	
COC(=O)c1c(CN2CCO[C@]3(CCOC3)C2)c2cc(F)ccc2n1C	894475164	LASCLDCSCRVKHA-LJQANCHMSA-N	362.401	2.095	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)c3ccc(F)c(O)c3)cc2)CC1	1155603720	IBNGVJCTRWJUIW-UHFFFAOYSA-N	371.412	2.163	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(O)c(O)c1	1301474349	HWNIGNCYPAKKCK-OKILXGFUSA-N	362.426	2.251	10	10	FECE	
Cc1ncc(I)c(NCc2c(O)cccc2O)n1	1164211301	AERPPZHWXWCDKW-UHFFFAOYSA-N	357.151	2.413	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(Cc2ccccc2)c1N	1447559194	BBVWPBUPAXLCJB-CYBMUJFWSA-N	366.421	2.286	10	10	FECE	
COc1ccccc1[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1nccn1C	1290519574	IPPKMHZOVHOZRL-IBGZPJMESA-N	367.405	2.288	10	10	FECE	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H]1CCN1CC	1618426993	AKXXSEKPNDILGY-SFHVURJKSA-N	361.486	2.469	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2NC(=O)C[C@@H]2C)C1	1540632063	AMQRDSIKVJUEBH-AWEZNQCLSA-N	354.454	2.060	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)cc1	1624805055	ODJYUDSIVPGNIE-AWEZNQCLSA-N	357.414	2.227	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cccc([N+](=O)[O-])c1O	1630481671	YFQRINVHOOZFQD-UHFFFAOYSA-N	374.349	2.212	10	10	FECE	
COc1ccccc1-c1nnc(CC(=O)NCc2cccc(OC)c2O)o1	1630366834	XOCQMXDOPZOQHA-UHFFFAOYSA-N	369.377	2.318	10	10	FECE	
CC(C)c1nnc(N(C)Cc2ccccc2O)n1C[C@]1(C)CN(C)C1=O	1723145351	YOLLSHPFGJKNJH-IBGZPJMESA-N	357.458	2.222	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1nnc(-c2ccco2)o1	1643244669	DCEVQDDJIQKBKU-UHFFFAOYSA-N	371.349	2.241	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(F)(C(=O)NCc2cccc(O)c2O)CC1	1593744524	PQGMKUWZSVVTMN-UHFFFAOYSA-N	368.405	2.453	10	10	FECE	
COCCOc1ccc(-n2nc(C)c(C(=O)Nc3ccc(N)cc3)n2)cc1	160342070	QLBKRVJXQYLWNU-UHFFFAOYSA-N	367.409	2.435	10	10	FECE	
CC(C)(C)OC(=O)NCCCC1CN(C(=O)c2cc(O)c(O)c(O)c2)C1	2134810837	LLHTXKMLUFEZMP-UHFFFAOYSA-N	366.414	2.180	10	10	FECE	
CO[C@@H]([C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C(C)(C)O	1951994194	UNEMRXUDKFDXQF-WFASDCNBSA-N	355.431	2.320	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)N2CCC(N=[N+]=[N-])CC2)N(C(=O)OC(C)(C)C)C1	2060610905	NCQZXRIEEHTZPB-OLZOCXBDSA-N	353.423	2.312	10	10	FECE	
Cc1ccc(O)c(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)O)c1	2081029317	AKIUHXMTNHILJV-CQSZACIVSA-N	350.415	2.207	10	10	FECE	
CC(C)(C)OC(=O)NC1CC(O)(CN2CCCc3cc(CN)ccc32)C1	2106646616	ILVOYOKZEZANEN-UHFFFAOYSA-N	361.486	2.316	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)CCOc2ccc(N)cc2)[C@@H]2C[C@@H]21	2106703476	QACPXIDNXCWDSB-CVEARBPZSA-N	361.442	2.258	10	10	FECE	
C[C@@H](NCCn1cc(I)cn1)c1c(O)cccc1O	2097157415	DBCLUTGECJERHH-SECBINFHSA-N	373.194	2.250	10	10	FECE	
N[C@H](c1ccccc1O)[C@@]1(O)CN(Cc2ccccc2)[C@@]2(CCOC2)C1	2100082820	GQLHAFHCZTWAPV-HKBOAZHASA-N	354.450	2.188	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1CN(C(=O)c1ccc(O)c(O)c1)C2	2226533201	XFWVFFJLKFLNEC-XBFCOCLRSA-N	362.426	2.473	10	10	FECE	
O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc3c(c2)OCCO3)CC1	41380147	GFWHWGCPPLXAGY-UHFFFAOYSA-N	368.389	2.149	10	10	FECE	
COc1ccccc1[C@@H](O)CNC(=O)NCc1ccc(N(C)C)c(F)c1	195201116	GLWKWKXLYNKZEX-KRWDZBQOSA-N	361.417	2.433	10	10	FECE	
C[C@H]1CCOCCN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	362258617	RKBIWPKVDAZVNH-AWEZNQCLSA-N	365.449	2.107	10	10	FECE	
Cc1ccc(CN(C)C(=O)[C@H]2CSCCN2)c(O)c1Br	2381129312	IMZYUGIYZSZMPQ-LLVKDONJSA-N	359.289	2.127	10	10	FECE	
Cc1csc([C@H](C)NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)n1	803665222	ZLIBGHXECRZRSA-NSHDSACASA-N	364.446	2.150	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(CCN(C)C)CC2)cc1	728404613	LXAQMXLOFSDUOZ-UHFFFAOYSA-N	354.498	2.414	10	10	FECE	
Cc1c(C[C@H](CN)CN(Cc2ccccc2O)C[C@@H]2CCCO2)cnn1C	903906086	RMBVIVSOPAAGMY-XLIONFOSSA-N	372.513	2.233	10	10	FECE	
CCN1CC[C@H](NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1=O	670030287	QQYIGXXECBEBMW-KRWDZBQOSA-N	357.454	2.255	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)Cc3cn4c(n3)CCCC4)C2)cc1	846265259	DTPFTWPYWRJLLE-INIZCTEOSA-N	368.481	2.413	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)c1cnc2n1CCC2	841570086	QHPJRRRCIGGRLU-AWEZNQCLSA-N	362.499	2.113	10	10	FECE	
Cn1cc([C@@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)O)cn1	841806011	ALPGOUQSRNQZJJ-QGZVFWFLSA-N	373.413	2.234	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3cccc(F)c3C)C2)cc1	850537134	NBJQGYREBPJXDU-AWEZNQCLSA-N	371.412	2.476	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C[C@H](O)Cc3ccccc3)C2)cc1	855227482	WZMLFXZPQSPQRF-PKOBYXMFSA-N	354.450	2.384	10	10	FECE	
CNC(=O)c1cccc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	855232437	UCONGAFSBDXHIZ-INIZCTEOSA-N	353.422	2.064	10	10	FECE	
C[C@@H]1O[C@H](C)C[C@H]1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	868838512	HMVCNCARIYVYPP-MBNYWOFBSA-N	354.397	2.231	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2c[nH]nc2[C@@H]2CCCO2)cc1	869143013	UAOYVFLHNYKQNA-KRWDZBQOSA-N	358.442	2.478	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)c1ccnc(O[C@H]2CCOC2)c1	862027011	GVLPFDQQKORDAV-INIZCTEOSA-N	365.389	2.433	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)NCC3(CC4CC4)CC3)C2)cc1	1119506386	PWYSWIJMWVQPGC-INIZCTEOSA-N	371.481	2.087	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](C)NC(=O)OC(C)(C)C	773739611	DYOYOFVPONOTRQ-VXGBXAGGSA-N	352.431	2.448	10	10	FECE	
CCNC(=O)N1CCN(Cc2cc(C)cc(Br)c2O)CC1	781895805	XPQQJODZSZKDRU-UHFFFAOYSA-N	356.264	2.310	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3C[C@@H](O)CC(F)(F)C3)CC2)cc1	786743603	IXWSGDLMUGFMTR-HNNXBMFYSA-N	369.412	2.076	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCC[C@]12CCCO2	898473340	DQHCSISGIJUUIZ-NQIIRXRSSA-N	373.497	2.319	10	10	FECE	
CN(C)Cc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)o1	1303084454	GMRAHKZKKBYAGM-UHFFFAOYSA-N	356.470	2.023	10	10	FECE	
COC(=O)N1CC(NC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)C1	1312544284	SUTAEHZEVJPVJY-UHFFFAOYSA-N	370.453	2.386	10	10	FECE	
Cc1nnc([C@@H](C)NC(=O)NCc2cccc(Br)c2O)o1	1313429956	KKKHIDALTQPMFX-SSDOTTSWSA-N	355.192	2.407	10	10	FECE	
O=C(O)CN(Cc1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	701237270	SSTFXCBOVNDCDS-UHFFFAOYSA-N	357.322	2.017	10	10	FECE	
C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1cccc(O)c1O	1965172297	KZAMWSLGYSIPKH-YPMHNXCESA-N	350.415	2.473	10	10	FECE	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1Cc2cccnc2C1	1347349445	FADPFGFWANTELP-OAHLLOKOSA-N	373.403	2.228	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2cccc(O)c2O)C1	1520510500	YHPLPTPJIZSXEQ-YJYMSZOUSA-N	362.426	2.361	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(NC(=O)Cc2ccc(O)c(O)c2)CC1	1544319261	ATYBDQVHEICFQR-UHFFFAOYSA-N	350.415	2.156	10	10	FECE	
CC(C)[C@@H](O)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1471542363	AKJKUVCKHKQAME-MSOLQXFVSA-N	350.507	2.062	10	10	FECE	
O=C(C[C@@H]1CCCC[C@H]1O)NCc1ccc(N2CCOCC2)c(F)c1	1543234222	ZCPDMNDWVNLGPO-MAUKXSAKSA-N	350.434	2.220	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1	1558175440	QHQLEUJCTZTILU-NSHDSACASA-N	362.332	2.045	10	10	FECE	
C[C@@H](NC(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1)c1ccccc1O	1557966989	SSCLMSJCVPRCRL-GTTSAUCSSA-N	358.419	2.274	10	10	FECE	
NC(=O)c1cc(N2CCCCC2)ccc1NC(=O)c1cccc(O)c1O	1631857997	FFRPGNJEVBWWRI-UHFFFAOYSA-N	355.394	2.439	10	10	FECE	
Nc1n[nH]c(C2CCN(C(=O)c3cc4cc(O)c(O)cc4s3)CC2)n1	1638059633	ZQKFBSRCNJYZLA-UHFFFAOYSA-N	359.411	2.033	10	10	FECE	
Cc1cc(CC(=O)NCc2nc(C(N)=O)co2)c(C)n1-c1ccccc1	1640268560	WWOSNXLZMMXYMU-UHFFFAOYSA-N	352.394	2.040	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1	1647270570	UYSSUDWFKLITQA-SNVBAGLBSA-N	362.332	2.045	10	10	FECE	
CCNC(=O)C1(Cn2c(CC)nnc2N(C)Cc2ccccc2O)CCC1	1767195698	OQIWUJKOSCLMKS-UHFFFAOYSA-N	371.485	2.489	10	10	FECE	
Cc1nc(F)ccc1/C=C1/SC(=S)N(CCN2CCOCC2)C1=O	1772961054	FTVLGBLGCQNSGX-JLHYYAGUSA-N	367.471	2.063	10	10	FECE	
COCc1nc2n(n1)CCC[C@H]2NC(=O)N(C)Cc1ccc(N(C)C)cc1	152832580	UKWTVTSSTPJDBC-MRXNPFEDSA-N	372.473	2.167	10	10	FECE	
Cc1ccc([C@H]2CN(CC(=O)NCc3ccc(N(C)C)cc3)CCO2)o1	159001666	YTMDKMILKKOITM-LJQANCHMSA-N	357.454	2.344	10	10	FECE	
CN(C(=O)[C@@H](N)Cc1ccc(O)c(O)c1)[C@H]1CC[C@@H]1OCc1ccccc1	2156442549	BFDFSFLUSCHMNX-ZWOKBUDYSA-N	370.449	2.174	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3NC(=O)c1cccc(O)c1O	2169553583	ZWKNJXWALVPAHL-GBGXWIRYSA-N	374.437	2.472	10	10	FECE	
C[C@H](N)c1ccc(N2CCS(=O)(=O)[C@H](C)[C@@H]2C)c(Br)c1	2170277411	PLJYPANFTBKRBU-GARJFASQSA-N	361.305	2.481	10	10	FECE	
Nc1ccc(CNS(=O)(=O)c2cc(N)ccc2Br)cc1	2191637558	JNYFMAQOYDRKNY-UHFFFAOYSA-N	356.245	2.092	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CCF)C(=O)NCCc1ccc(O)c(O)c1	2060487878	MEDXUBBIAMPBJP-LBPRGKRZSA-N	356.394	2.009	10	10	FECE	
COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2060613728	UVPJSWQZUCUWQC-VXGBXAGGSA-N	357.411	2.149	10	10	FECE	
COc1cccc(O)c1CN[C@@H]1[C@H](NC(=O)OC(C)(C)C)[C@H]2CCO[C@H]21	2104431677	HHCFRBXUNWDMJM-GAEVZRCVSA-N	364.442	2.171	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Nc1c(N)cccc1C(=O)O	2108837034	HECCWAUMXBFTOM-ZIAGYGMSSA-N	365.430	2.403	10	10	FECE	
O=C(NC[C@@H]1CC1(Br)Br)c1cccc(O)c1O	2213083153	JTTPZMPVXFNGNG-LURJTMIESA-N	365.021	2.334	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-]	2218741743	BGTKFRMIPRVGOW-UMSGYPCISA-N	353.423	2.094	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(c1cc3c(cc1N)OCCO3)C2	2272656637	AZJYWKPJKPWGRX-CWTRNNRKSA-N	361.442	2.391	10	10	FECE	
CCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N(CC)CCN=[N+]=[N-]	2315986967	LHHBAPFWRJFELZ-STQMWFEESA-N	355.439	2.417	10	10	FECE	
CN(Cc1ccc(N)cc1)Cc1ncc(I)cn1	2328052802	FMWCHVWBZLPBIE-UHFFFAOYSA-N	354.195	2.295	10	10	FECE	
Cc1ccc(CN[C@@H](C)[C@H](C)S(C)(=O)=O)c(O)c1Br	2352940868	JHIQOTHLVPBJSC-UWVGGRQHSA-N	350.278	2.374	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ncncc1Cl	175674636	GACKSYWMDHBMAI-UHFFFAOYSA-N	350.781	2.036	10	10	FECE	
CC(C)C(=O)N1CCC(NC(=O)NCc2ccc(N(C)C)c(F)c2)CC1	58558544	OIBGNZJFZLNNRE-UHFFFAOYSA-N	364.465	2.338	10	10	FECE	
CCN[C@@H](C)c1ccc(N2CCN(CCO)CC2)c(Br)c1	61695702	VGIHDWJUHJEABG-ZDUSSCGKSA-N	356.308	2.234	10	10	FECE	
Cn1cc([C@@H]2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)C2)cn1	128022635	XXHAWGVWRNXANZ-QGZVFWFLSA-N	351.454	2.495	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)N2CCc3cc(O)c(O)cc3C2)C1	2366907602	IABLOMVXPDRPII-JLTOFOAXSA-N	374.437	2.240	10	10	FECE	
Cc1ncc(/C=C\C(=O)N2CCOc3ccc(S(C)(=O)=O)cc32)s1	255839030	XEHRYAZKYGAEBN-UTCJRWHESA-N	364.448	2.294	10	10	FECE	
O=C(CCCNC(=O)C1CC1)NCc1cc(Br)ccc1O	804736943	FWMYLMNOXAHHQI-UHFFFAOYSA-N	355.232	2.077	10	10	FECE	
C[C@@H]1C[C@H]1N1C[C@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)CC1=O	817958964	NUSAENOCFZPAQP-DJSGYFEHSA-N	370.478	2.055	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N(C)[C@@H]3CCN(C4CC4)C3)C2)cc1	824692511	DTCYEVBIXTZSRG-VQIMIIECSA-N	372.513	2.400	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H](O)C3CCC3)cc2F)C[C@@H](C)O1	825359249	KJGKSWFLQHOHKO-JCGVRSQUSA-N	350.434	2.217	10	10	FECE	
C[C@H](CNC(=O)C(=O)NCCCSc1nccs1)c1ccccn1	828240360	ZDTLOOMVIHPERW-GFCCVEGCSA-N	364.496	2.056	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N2CCCc3cc(OC)ccc32)c1	731964657	LCWNMQYHRKNPOZ-VMPITWQZSA-N	351.406	2.442	10	10	FECE	
CN(C)c1ccc(/C=C\CN[C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1	835043351	PJKOLDZUJHNMRG-WLPBJKJWSA-N	353.470	2.285	10	10	FECE	
CN(C)c1ccc(/C=C/CNc2ccn(CCN3CCOCC3)n2)cc1	835044420	ZVKVLUVGHBSDAJ-ONEGZZNKSA-N	355.486	2.407	10	10	FECE	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CSCC(=O)O)cc1	747808756	QTZYDMPJMZXVSU-MRXNPFEDSA-N	366.483	2.078	10	10	FECE	
CN(C)CCn1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)cn1	747556838	KTOCGLDMZZYBHF-UHFFFAOYSA-N	356.474	2.367	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccccc3-n3ccnn3)C2)cc1	855228226	XWSLKGYXHRHPSJ-OAHLLOKOSA-N	363.421	2.285	10	10	FECE	
COC(=O)c1ccc(O)c([C@@H](C)NCC[S@](=O)CC(F)(F)F)c1	850496503	OOZAWSPTTBYRNS-WBNWAKSLSA-N	353.362	2.140	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3C[C@H]4COC[C@]4(C)C3)CC2)cc1	853643680	KZRBGHLPSYRXQK-YWZLYKJASA-N	359.470	2.342	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cc(-n4ccnc4)ccn3)C2)cc1	855224134	DNRPUQACKMHOSO-OAHLLOKOSA-N	363.421	2.285	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCn4c(cnc4C)C3)C2)cc1	855224439	GBCLRQRVVLQAKW-HZPDHXFCSA-N	354.454	2.158	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CCn4cc(C)nc4C3)CC2)cc1	858128396	MIPDOSSKCCGEJD-MRXNPFEDSA-N	354.454	2.111	10	10	FECE	
O=C(C[C@H](O)Cc1ccccc1)NCc1ccc(N2CCC(O)CC2)cc1	856214913	GNACYNPRXBLJLF-OAQYLSRUSA-N	368.477	2.258	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)NC[C@H]3COCCN3C)c2C)cc1	862972484	DQXQIJHUFSMROJ-KRWDZBQOSA-N	357.454	2.163	10	10	FECE	
C[C@@H]1CCCN(c2ccc(CNC(=O)C3CS(=O)(=O)C3)cc2Cl)C1	868065183	KZMSGHYKBJQVNN-GFCCVEGCSA-N	370.902	2.237	10	10	FECE	
COC(=O)[C@@H](CCF)NC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1	862125437	HOAUIRSCHUEGGH-GOSISDBHSA-N	374.412	2.467	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)[C@@H]3CCc4cccc(O)c43)cc2)CC1	881853492	YBLSJDWYLYGVCJ-LJQANCHMSA-N	365.477	2.490	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cn3nc(C)cc3C(F)F)CC2)cc1	1127189240	GRCXDFXZFCUQCZ-UHFFFAOYSA-N	364.396	2.487	10	10	FECE	
C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)NCc3ccc(O)cc3O)c2N1	1142537971	XYKLGKAPACQCLC-PRHODGIISA-N	352.341	2.235	10	10	FECE	
COCCNC(=O)CNC(=O)/C=C\c1cc(C)n(-c2ccc(C)cc2)c1C	1087644949	CCZMENAWKOTCPS-YFHOEESVSA-N	369.465	2.295	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(CC2CC2)n1CC1(O)CCOCC1	1314753722	XDUOPTYOMCHFSG-UHFFFAOYSA-N	372.469	2.114	10	10	FECE	
Cc1ccc(C(=O)NCc2c(O)ccc3ccccc23)cc1S(N)(=O)=O	1179028587	ACGOKNBPTPBXDE-UHFFFAOYSA-N	370.430	2.431	10	10	FECE	
Nc1cc2c(cc1N1C[C@@H]3CC[C@H](C1)N3Cc1ccccc1)NC(=O)CO2	687235225	CUWUBPLRQCVXGB-IYBDPMFKSA-N	364.449	2.453	10	10	FECE	
C[C@@H](O)c1ccc(N(C)CCCS(C)(=O)=O)c(Br)c1	694159007	FXSVAGFFAYZINI-SNVBAGLBSA-N	350.278	2.373	10	10	FECE	
COc1ccc([C@H]2CN(C(=O)c3cccc(O)c3O)CCO2)cc1OC	1349797863	CNGNBVAHUGNWIE-QGZVFWFLSA-N	359.378	2.329	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1CCCN1C[C@@H](C)O[C@H](C)C1	1511778645	ILUPONOKARCRML-HZPDHXFCSA-N	373.501	2.428	10	10	FECE	
COc1cccc(CNC[C@H]2C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C2)c1O	2116205703	MWOCMOFFBRQRJA-AEGPPILISA-N	366.458	2.155	10	10	FECE	
NC(=O)N[C@@H](CC(=O)NCc1ccc2cccnc2c1O)c1cccs1	1299721391	JBRNMCWFENRIKL-ZDUSSCGKSA-N	370.434	2.418	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CNC(=O)CCOc1ccc(N)cc1	2117649372	YCKGSBUPHLZYCE-UONOGXRCSA-N	363.458	2.315	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2ccc3occc3c2)c1	1469931049	NQLYKDRJVIBISH-UHFFFAOYSA-N	360.391	2.440	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1cc([N+](=O)[O-])ccc1SCCO	1558175307	LMMLJXIIBVVQPQ-UHFFFAOYSA-N	364.379	2.020	10	10	FECE	
CC(=O)c1cc(F)cc(CN2C[C@@H](C(N)=O)[C@H](c3ccccc3)C2)c1O	1559911216	HDNSLLCJUGWMLX-ZWKOTPCHSA-N	356.397	2.435	10	10	FECE	
CNc1ncnc2cc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)ccc12	1633817996	CEDVRGBVCCMCOK-NSHDSACASA-N	352.394	2.444	10	10	FECE	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnncc1O	1630280293	JKNSTLHYXFTKPH-NSHDSACASA-N	364.352	2.182	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)C1CCN(CCNC(=O)OC(C)(C)C)CC1	2124541355	RRWOPCUVSZXHCG-UHFFFAOYSA-N	368.482	2.382	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)OC[C@@H]2C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2124536366	QUIFJJSGPXXWFV-CRWXNKLISA-N	365.434	2.170	10	10	FECE	
C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1	1725978871	IOPNVMVSXLQZOM-KNXALSJPSA-N	371.441	2.472	10	10	FECE	
CCN(CC)C(=O)c1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1	1595416284	DOEGXLKNKKNINH-UHFFFAOYSA-N	356.422	2.439	10	10	FECE	
Oc1ccc2ccccc2c1CN1CCN(c2ccc3nncn3n2)CC1	152598653	NTERZRFHYUQRKB-UHFFFAOYSA-N	360.421	2.305	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cnc(N(C)C)nc1	154729550	GMKJHTPAVWVVNN-UHFFFAOYSA-N	370.457	2.043	10	10	FECE	
C[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1NC(=O)OC(C)(C)C	2132402268	CRMPBNPDWRCZHW-ZYHUDNBSSA-N	366.414	2.179	10	10	FECE	
CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1cc(O)c(O)c(O)c1	2132411063	RWUJUEPWFIGLEC-GFCCVEGCSA-N	366.414	2.275	10	10	FECE	
C[C@H](NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C(F)F	2136254465	XQOGQXFMPYCBKN-ONGXEEELSA-N	374.384	2.303	10	10	FECE	
COc1ccc(O)c(CNC[C@@H]2CO[C@H](CNC(=O)OC(C)(C)C)C2)c1	1967886631	BGATUTNAZQQXEW-CJNGLKHVSA-N	366.458	2.420	10	10	FECE	
O=C(OCc1ccccc1)N1CC[C@@H](NCc2ccc(O)c(O)c2O)C1	1938936663	PHRDCWAKZSDVFW-OAHLLOKOSA-N	358.394	2.304	10	10	FECE	
COc1ccc(Br)c(CNCC[C@@H](C)[S@@](C)=O)c1O	1971658609	HDDZWXURCCYRGS-AYLIAGHASA-N	350.278	2.410	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3NC(=O)c1cccc(O)c1O	2169553585	ZWKNJXWALVPAHL-KNYNKSNXSA-N	374.437	2.472	10	10	FECE	
CCS(=O)(=O)[C@@H]1CCN(c2ccc([C@@H](C)N)c(Br)c2)C1	2179894675	RROQLJAEDCTZAA-ZYHUDNBSSA-N	361.305	2.482	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N[C@H](C)c1cc(O)ccc1O	2058678395	AZEBMDQUWSVBIV-DJSGYFEHSA-N	352.431	2.383	10	10	FECE	
CCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2060632756	FNGFVGWQGCNNPH-CHWSQXEVSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2060638901	CEQDLHMVXGJNMK-JHJVBQTASA-N	353.423	2.075	10	10	FECE	
CO[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CC[C@H](N=[N+]=[N-])C2)C1	2067631775	SHFGXRHUWCVHLV-YNEHKIRRSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1	2073948251	ZMOCQHLUYKTGHW-UPJWGTAASA-N	353.423	2.218	10	10	FECE	
CN(C)c1ccc([C@@H](O)[C@@H](NC(=O)OC(C)(C)C)c2cn(C)nn2)cc1	2110415258	PFNWZADFHXZXEJ-JKSUJKDBSA-N	361.446	2.181	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCCOc3ccccc32)=C[C@H]1O	2200998561	LHLFVXCWFSZGHI-GDBMZVCRSA-N	374.437	2.386	10	10	FECE	
CCOC(=O)CCN1CCN(C2=NC(=O)C(=Cc3ccccc3)S2)CC1	2296671794	HGVKVIHFPIHSHG-UHFFFAOYSA-N	373.478	2.228	10	10	FECE	
CSc1ncc(C=C2C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cn1	2297346763	UGKVBYBYYXUFEW-UHFFFAOYSA-N	358.354	2.004	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)C=Cc3ccncn3)cc2F)CC1	2308526374	OJERDFGWUQNCKO-UHFFFAOYSA-N	369.444	2.087	10	10	FECE	
Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc3c(c2)OCO3)C1=O	6973887	YBKMZHQHBYBMJF-JYRVWZFOSA-N	350.330	2.390	10	10	FECE	
COC(=O)c1ccccc1NC(=O)CCN1C(=O)[C@@H](C)SC1=S	11635954	ACXCAZUDPKKMNG-SECBINFHSA-N	352.437	2.051	10	10	FECE	
Cc1cc(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)[nH]n1	92011610	ZROWDYCYIKZQKK-UHFFFAOYSA-N	353.470	2.180	10	10	FECE	
C[C@H](NC[C@@H](c1cnn(C)c1)N(C)C)c1ccc(N2CCC(O)CC2)cc1	129939909	PGBCQQPBRFBPSJ-KKSFZXQISA-N	371.529	2.335	10	10	FECE	
C[C@@H](CCNC(=O)NCc1ccc(N2CCSCC2)cc1)[S@@](C)=O	163630817	MWLORQYGOYMSDU-BSEYFRJRSA-N	369.556	2.196	10	10	FECE	
COc1ccc(N2CCCN(C(=O)NCC[C@@H](C)[S@](C)=O)CC2)cc1	166039877	HYMKBKFDXAFHMJ-SGANQWHYSA-N	367.515	2.074	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H](n2cncn2)C1	175227780	KQQDOIVOCWZHDG-SFHVURJKSA-N	352.442	2.201	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)c1	181696692	DVYRVPHOEHJHCK-STQMWFEESA-N	373.457	2.491	10	10	FECE	
CCN(CC)C(=O)C(C)(C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	243343206	LUBWOOZVGNLSCF-UHFFFAOYSA-N	361.486	2.238	10	10	FECE	
Cc1cc(C(=O)CN(C[C@H](C)O)[C@H](C)CO)c(C)n1-c1ccc(F)cc1	248991617	XFIMZRSGIPZIHS-CABCVRRESA-N	362.445	2.480	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NCc1ccc(Cl)cn1	284051808	MHKRVXSYKPYRNK-UHFFFAOYSA-N	372.856	2.268	10	10	FECE	
Cn1cc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c(C2CC2)n1	291279331	IODTUYNTCPKWOM-UHFFFAOYSA-N	367.453	2.153	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N[C@@H](C)c1ccc(O)cc1O	310865907	XOQUCCDDLJDPRR-PJODQICGSA-N	352.431	2.383	10	10	FECE	
Cc1cc(CCN2C(=O)[C@H]3COCCN3C2=O)c(C)n1-c1ccccc1	760973351	YCXKZNROKBLGEE-GOSISDBHSA-N	353.422	2.300	10	10	FECE	
C[C@H](O)CCCNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	789163550	URUIJBMEBAGVMI-KRWDZBQOSA-N	374.529	2.179	10	10	FECE	
CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)OC)cc1	790411170	GGGUBWDQOYSDPX-UHFFFAOYSA-N	351.380	2.378	10	10	FECE	
CC(=O)C(=O)COC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O	808528101	QYWMVIAHPILFKY-UHFFFAOYSA-N	365.744	2.444	10	10	FECE	
CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)n1	819589135	QUXMUYANKVACSU-ZDUSSCGKSA-N	373.413	2.076	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)N[C@H](C)C3CCCC3)C2)cc1	828108665	NQHLXIMLSSRYBH-GDBMZVCRSA-N	359.470	2.085	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1COC2(CCC2)C1	830078321	HUBYKLNFYLZRPR-QGZVFWFLSA-N	373.497	2.317	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1C[C@H](O)CC(F)(F)C1	840478872	CPTRZPBUVFOLHT-CZUORRHYSA-N	355.429	2.404	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H](N)c3c(F)cccc3F)C2)cc1	852843817	HVTGJFLKCZANGZ-KZULUSFZSA-N	361.392	2.368	10	10	FECE	
C[C@@H](CN(C)CCCN(C)C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	854003527	JFWCAOLWVCCBOT-IRXDYDNUSA-N	363.550	2.385	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N(C)CCCN3CCCC3)C2)cc1	854297890	SRGFUSKWMOCVGL-QGZVFWFLSA-N	360.502	2.401	10	10	FECE	
CCc1nn(C)c(CC)c1CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	855224960	MEIVZTJXMRDYJG-OAHLLOKOSA-N	370.497	2.491	10	10	FECE	
C[C@@H]1CCCN(c2ccc(CNC(=O)CCc3nn[nH]n3)cc2Cl)C1	868065358	NBQUQBKFZCVLFP-GFCCVEGCSA-N	362.865	2.338	10	10	FECE	
COc1cc(N(C)Cc2nc(Br)nn2C)cc(OC)c1OC	894429297	DEZOLYCXFRQCJY-UHFFFAOYSA-N	371.235	2.240	10	10	FECE	
CCOC(=O)c1cccc(CNCc2ccc(N3CCN(C)CC3)cc2)n1	895608861	UYJTTYHYJPVYHI-UHFFFAOYSA-N	368.481	2.300	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)c1csc(C(=O)O)n1	911229233	XVIMKINORQOWGW-UHFFFAOYSA-N	363.464	2.325	10	10	FECE	
COC(OC)[C@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1	914201028	VCMQCLRXLNPIMV-ZDUSSCGKSA-N	353.488	2.046	10	10	FECE	
C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccns1	925053914	AIRUELKASVJZNL-ZDUSSCGKSA-N	351.497	2.229	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1n[nH]c(C2CC2)c1Br	1178912407	STDQGFPMPBFUNK-UHFFFAOYSA-N	352.188	2.391	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)[C@@](C)(O)c2ccccc2)N(C)C)cc1	1456927767	CMPUZOYKEIZHHO-FPOVZHCZSA-N	355.482	2.379	10	10	FECE	
CCc1nnc(N(C)[C@@H](C)CC(N)=O)n1Cc1ccc(N(CC)CC)cc1	1498593586	RZISDNVZDXFSDO-HNNXBMFYSA-N	372.517	2.435	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CC(C(=O)OC(C)(C)C)=NO2)c1	1545683979	GJTSDNWANBWJLX-MEBBXXQBSA-N	364.398	2.065	10	10	FECE	
CN1CCC(Oc2ccc(CNC(=O)Cc3ccc(O)c(O)c3)cc2)CC1	1623789975	AHXTZXBZJGVJEN-UHFFFAOYSA-N	370.449	2.430	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)NCc2cc(O)ccc2O)C1	1633598936	IKOZNKAUOJJTBI-KRWDZBQOSA-N	354.378	2.063	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1	1637122888	QWMQXZZZKMKVME-AWEZNQCLSA-N	372.396	2.406	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N=[S@](C)(=O)C2CCCCC2)c1	1645101956	WMDJKLNSOVNBPU-HSZRJFAPSA-N	374.484	2.334	10	10	FECE	
CCn1c(O)nc2cc(C(=O)NCc3cccc(Cl)c3O)ccc2c1=O	1653564053	YENAEHSZDQPPPG-UHFFFAOYSA-N	373.796	2.411	10	10	FECE	
CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1(C)C	1679440553	LTHSMSYVWCGCCF-KFKAGJAMSA-N	374.529	2.297	10	10	FECE	
CC(C)[C@@H](O)CCNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	1683196037	XQJXIRIJHXYPMV-INIZCTEOSA-N	371.428	2.008	10	10	FECE	
CSc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)O)[C@@H](C)O)C2=O)cc1	1858592564	SNEZCPNJAFZUSH-RSBGCTCZSA-N	369.489	2.444	10	10	FECE	
CN(C)c1ccc(C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)nn1	1890045938	XYWUVXNMWIHNOY-RDJZCZTQSA-N	351.454	2.461	10	10	FECE	
CN1CCCc2cc([C@@H](NC(=O)OC(C)(C)C)C(CO)CO)ccc21	1927284712	RZVZRURIZJMXFD-QGZVFWFLSA-N	350.459	2.236	10	10	FECE	
CO[C@@H]([C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C1(N)CC1	1952829136	IDIHCZKDDLKFKN-WFASDCNBSA-N	352.431	2.040	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCOC1	1964874340	QUZUAMPGXVCXFQ-GDBMZVCRSA-N	364.442	2.280	10	10	FECE	
CNC(=O)CN(Cc1ccccc1)c1cc2c(cc1Cl)[C@H](N)C(=O)N2	2034780572	AEJGBRWZUMFHHK-KRWDZBQOSA-N	358.829	2.045	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(C)C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2060634092	VHZOPSDIFRHTND-XHBSWPGZSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C12CCC2	2070115090	NXNXRCGWVZBJNQ-IHRRRGAJSA-N	350.459	2.432	10	10	FECE	
CN[C@@H](c1ccccc1O)[C@@H]1Cn2cnnc2CN1C(=O)OC(C)(C)C	2090042551	MRGGJEQHWGWVRS-BBRMVZONSA-N	359.430	2.064	10	10	FECE	
C[C@@H](CCS(C)(=O)=O)N(C)c1ccc(CO)cc1Br	2104461243	YTKZZCAROZQYTM-JTQLQIEISA-N	350.278	2.201	10	10	FECE	
CC(C)(C)OC(=O)NCC1CC(NC(=O)CCOc2ccc(N)cc2)C1	2106235817	SRUSDLOWDMDTFL-UHFFFAOYSA-N	363.458	2.457	10	10	FECE	
Nc1ccc(O)c(CN2CCC[C@@H]3CC[C@]32CNC(=O)C(F)(F)F)c1	2106740695	WODREYJMBOCXDZ-WBMJQRKESA-N	357.376	2.398	10	10	FECE	
CN1CCc2cc([C@H](N)[C@@](C)(O)C3CN(C(=O)OC(C)(C)C)C3)ccc21	2106844029	OLQUDMFVQOJDKZ-PXNSSMCTSA-N	361.486	2.297	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](NCc2cc(F)cc(F)c2O)C1	2116265938	AOTJSDIEHHRENR-NHYWBVRUSA-N	372.412	2.378	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](CNC(=O)c2cccc(O)c2O)C1	2118162115	GHZSRMIAMQZXGB-CKSWESSHSA-N	368.405	2.471	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)c1nc(=NCc2ccc(F)c(F)c2O)[nH][nH]1	2130116882	GRCHYBVACWKZMD-QMMMGPOBSA-N	369.372	2.408	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1CC(CCNC(=O)OC(C)(C)C)C1	2134805353	UHSHVEDASIUAAP-CYBMUJFWSA-N	362.474	2.442	10	10	FECE	
CN[C@H](c1ccccc1O)[C@@]1(O)CN(Cc2ccccc2)[C@]2(CCOC2)C1	2156320581	PTICTDWJAOQWBW-VSKRKVRLSA-N	368.477	2.449	10	10	FECE	
CN(C(=O)CN1C[C@@H](NC(=O)OC(C)(C)C)C2(CC2)C1)c1ccc(N)cc1	2163037723	DXBXEUNKAYESRU-MRXNPFEDSA-N	374.485	2.221	10	10	FECE	
O=C1C(=Cc2cccc(F)c2)SC(=S)N1[C@H]1CCS(=O)(=O)C1	2296709449	RCVRAZZKFIFUFA-NSHDSACASA-N	357.453	2.214	10	10	FECE	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)NC(=O)N(C)C2=O)o1	2297329320	WPLBGMWTORBJLF-UHFFFAOYSA-N	355.306	2.255	10	10	FECE	
O=C1NN(c2cccc(Cl)c2)C(=O)C1=Cc1cc([N+](=O)[O-])ccc1O	2297552209	SLIPKNBXCYYNJH-UHFFFAOYSA-N	359.725	2.415	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2310284066	KFTMAXNZHSRFAA-YNEHKIRRSA-N	353.423	2.048	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H]1C[C@@H]2OCC[C@H]2N1C(=O)OC(C)(C)C	2315987432	SQEGYAONSGKTSM-AGIUHOORSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](CNCc2c(O)cccc2F)N2CC[C@H]1C2	2342849560	BBZWUMIDUZWJKV-UONOGXRCSA-N	365.449	2.315	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1[C@@H]2C[C@@H]2CN1CCC(=O)Nc1ccc(N)cc1	2357559929	VLLYWAZZQFVFBY-XYPHTWIQSA-N	374.485	2.442	10	10	FECE	
CC(=O)NCc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)s1	173204964	YWRUSFUYKJTTLA-UHFFFAOYSA-N	359.451	2.489	10	10	FECE	
CCOC(=O)C[C@H](C)N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1	181750290	COFVJBXOLPLMNI-JCVNQNCUSA-N	360.454	2.337	10	10	FECE	
CCc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(N3CCC(O)CC3)cc1)CC2	180610068	FNWBWJISKOLXRK-NVXWUHKLSA-N	369.513	2.467	10	10	FECE	
COc1ccccc1/C=C1/SC(=S)N(CCN2CCOCC2)C1=O	96935898	MBODXSFFYWYAES-NTCAYCPXSA-N	364.492	2.229	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)CC2)cc1	247680722	ZPGWIIHVCYAJGO-OTWHNJEPSA-N	359.470	2.484	10	10	FECE	
C[C@H](NC[C@]1(CO)COCC2(CCC2)N1C)c1cc(Cl)ccc1O	527957093	RSLSQSJXQFIKNJ-UGSOOPFHSA-N	354.878	2.312	10	10	FECE	
CCN1CC[C@H](NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O	802363817	OWJXVEJQDZLEQN-SFHVURJKSA-N	355.438	2.453	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)N3C[C@H]4CC[C@@H](C4)C3)CC2)cc1	827843531	DTQGMXYKKZQAAA-HOTGVXAUSA-N	371.481	2.039	10	10	FECE	
COc1cc(Br)cc(CN(C)[C@@H]2CCN3CCO[C@H]2C3)c1O	824502316	ZYKQIDSWTUWYNG-HIFRSBDPSA-N	371.275	2.068	10	10	FECE	
O=C1CN(Cc2ccc(Br)cc2O)CCN1CC(F)(F)F	825892131	AGPNLCCYFKHVSB-UHFFFAOYSA-N	367.165	2.361	10	10	FECE	
Cn1ncc(/C=C2/OCCn3c2nc(Br)c3C=O)c1Cl	901575185	MWDFRLZRPAZEEA-RUDMXATFSA-N	357.595	2.373	10	10	FECE	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)NCc1cscn1	838052933	DMEQJOSLLAHWKR-UHFFFAOYSA-N	368.409	2.257	10	10	FECE	
COc1ccccc1CN(Cc1cc(O)n2ncc(C(=O)O)c2n1)C1CC1	846237259	CDJMUCRTTUGSQL-UHFFFAOYSA-N	368.393	2.306	10	10	FECE	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCCc3c2ccc(=O)n3C)cc1F	844936370	XQBYCEMXQVXUGA-MRXNPFEDSA-N	372.444	2.467	10	10	FECE	
COc1ccc(N2CC[C@H](Nc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1	853759263	QLAVZDOMQHYNMH-ZDUSSCGKSA-N	356.382	2.393	10	10	FECE	
CC1(C)CC[C@H](CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)O1	852266331	BWSHKUCUCSKWBJ-GOSISDBHSA-N	361.486	2.405	10	10	FECE	
COC(=O)CCCN1C(=O)/C(=C/c2cn(C)nc2Cl)SC1=S	856717263	FCNWDHRTFXAYIX-TWGQIWQCSA-N	359.860	2.228	10	10	FECE	
CN1CCc2cc(/C=C\c3nc(O)c4cnn(-c5ncccn5)c4n3)ccc21	751535939	NRELBLDXRVGNGD-XQRVVYSFSA-N	371.404	2.474	10	10	FECE	
O=S(=O)(CC1CC1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	768575953	PZMIIUOJYGDRMX-UHFFFAOYSA-N	363.527	2.048	10	10	FECE	
COc1cc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)nn1C	775921630	NWJHJWBFQGJSTE-CQSZACIVSA-N	360.414	2.347	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCCC(=O)N(C)C)C1	774070270	WPYPDUHRHDQQOE-UHFFFAOYSA-N	371.481	2.429	10	10	FECE	
COC(=O)[C@@H]1[C@@H](CNC[C@@H]2CCN(c3ccc(OC)cc3)C2)C1(F)F	895051971	UNITYXCHLIYCEB-MAZHCROVSA-N	354.397	2.165	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)CC[C@H]1CC[C@H](C2OCCO2)O1	896401667	XOBNDMTXQRYPCJ-QZTJIDSGSA-N	362.470	2.378	10	10	FECE	
C[S@@](=N)(=O)N1CCN(Cc2cc(Br)cc(F)c2O)CC1	895471480	XGTAJNQTYOVVRZ-FQEVSTJZSA-N	366.256	2.003	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCN([C@@H]3CCC[C@H]3O)CC2)c1	781906378	BWYZTQWEOZZSBP-HZPDHXFCSA-N	369.303	2.494	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1nccc(N(C)C)n1	797641577	DYBGPCBKMXLHKY-UHFFFAOYSA-N	370.457	2.043	10	10	FECE	
CCN(CC(=O)N(C)C)C(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2	1144579171	BPFCZRSACZXMQF-UHFFFAOYSA-N	371.481	2.465	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCC(=O)N1CCCCc2ccccc21	1304282630	QLYPQBZWVVBAFB-UHFFFAOYSA-N	354.406	2.126	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1	1322964679	DRJIPLPFMLPCAK-RBUKOAKNSA-N	351.450	2.350	10	10	FECE	
C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(N)cc2)CCc2ccc(F)cc21	1349626583	MYVIGESHMNZWTL-CQSZACIVSA-N	369.440	2.255	10	10	FECE	
CC1=NNC(=O)[C@H]1CCNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1	1443448015	RQXGTHYIDKBOSR-SFHVURJKSA-N	366.421	2.148	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CCO[C@H](C)C1	1466398029	GQUUONNAZGWPBN-VXGBXAGGSA-N	355.818	2.362	10	10	FECE	
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(O)cccc1O	1472063918	SMYOLMZNLNLIHT-ZDUSSCGKSA-N	368.430	2.032	10	10	FECE	
Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)NCc1cc(O)ccc1O	1471660898	CRILXEKCNOUPPG-UHFFFAOYSA-N	354.410	2.164	10	10	FECE	
COC(=O)c1cnc(S[C@H](C)C(=O)Nc2sccc2C(N)=O)s1	1613811745	DCQGDZBBGHWDGE-ZCFIWIBFSA-N	371.465	2.209	10	10	FECE	
Cc1ccc(O)c(CNC(=O)NCCCONC(=O)OC(C)(C)C)c1	1565408341	ORZSCLBLQGQHSJ-UHFFFAOYSA-N	353.419	2.346	10	10	FECE	
Cc1ccc(-n2cnnc2SCC(=O)NCc2cc(O)ccc2O)cc1	1651222933	SKYGLYVIZDZLJR-UHFFFAOYSA-N	370.434	2.395	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C(C)(C)C1	2132404038	OTELDUGTELZZNS-LLVKDONJSA-N	366.414	2.321	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNCc1cc2c(cc1O)OCO2	1905993743	SWRBWHCJDJSBMV-MELADBBJSA-N	362.426	2.466	10	10	FECE	
CN(CC1CC1)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136261401	LELNWHGOHUGYLP-AWEZNQCLSA-N	364.442	2.402	10	10	FECE	
CCOC(=O)[C@H](O)CN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1	2044510998	BHWLHFSRHJJSCD-OAHLLOKOSA-N	352.431	2.072	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@]12COCCN(CCCN=[N+]=[N-])C2	2054254990	HGAGTYAPMFAUCP-MRXNPFEDSA-N	355.439	2.025	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1	2060610421	HPYCSGUFDVKXMH-WBMJQRKESA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2060637150	HMPTVYGNNPPHON-RYUDHWBXSA-N	353.423	2.123	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)COc2ccc(N)cc2)C1	2106232075	RQNFQJXXCNZNJB-AWEZNQCLSA-N	363.458	2.411	10	10	FECE	
CN(C[C@@]1(O)CCCN(Cc2cc(N)ccc2O)C1)C(=O)OC(C)(C)C	2270846820	FAQJUFGVSDRSTQ-IBGZPJMESA-N	365.474	2.168	10	10	FECE	
COc1ccc(O)c([C@@H](C)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1	2312116578	GPIHOJCCOIOGPW-KCPJHIHWSA-N	352.431	2.344	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2312333548	PRBCVUUSQUBAAH-RNJOBUHISA-N	353.423	2.264	10	10	FECE	
COc1ccc(N2CCC(NC(=O)NCCn3cc(C)cn3)CC2)cc1	118069949	RBUBMXPDTNRPHV-UHFFFAOYSA-N	357.458	2.168	10	10	FECE	
COc1ccc(N2CCN(c3ncc([N+](=O)[O-])c(NC4CC4)n3)CC2)cc1	45723778	XWXVUNGYGFQTRH-UHFFFAOYSA-N	370.413	2.294	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3C(=O)NCCC(C)C)CC2)cc1	243162556	JQERSOGGGRNDIQ-MOPGFXCFSA-N	373.497	2.142	10	10	FECE	
COC[C@@H]1CCCN(C(=O)C(=O)NCCCSc2nccs2)CC1	817823776	NOASKCFWDIOSNZ-CYBMUJFWSA-N	371.528	2.017	10	10	FECE	
CC(C)c1noc([C@H](C)N2CCN(C(=O)Cc3ccc(N)cc3)CC2)n1	829199331	MHXAJZDUPSPRFB-AWEZNQCLSA-N	357.458	2.223	10	10	FECE	
COc1ccc(N2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)nc1	825306023	XXINCIXJNYENKN-UHFFFAOYSA-N	368.481	2.249	10	10	FECE	
CN(C/C=C\c1ccc(N(C)C)cc1)CC(=O)N1CCC[C@@H](C(=O)O)C1	901625231	DDDRDKFXZWFZTK-XQDHMALISA-N	359.470	2.021	10	10	FECE	
COc1cc(F)ccc1N1CCN(C(=O)NCCc2ccc(N)cc2)CC1	841954442	MOJKFWYLDHNZGG-UHFFFAOYSA-N	372.444	2.491	10	10	FECE	
Cc1cc(CCNC(=O)N[C@H]2C[C@@H](C(N)=O)C2)c(C)n1-c1ccccc1	844866231	AZFMMAOOXNPBNN-CALCHBBNSA-N	354.454	2.200	10	10	FECE	
CN(C)c1ccc([C@@H](N)CNC(=O)c2nscc2Br)cc1	846663782	OGWTZXBJYWBDEZ-LBPRGKRZSA-N	369.288	2.401	10	10	FECE	
COc1cc(Br)cc(CNC[C@H](OC)[C@@H]2CCOC2)c1O	850344068	ATDQFIYQZAUEQD-YGRLFVJLSA-N	360.248	2.304	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)NCC1CSC1	921747271	BILPEZWYHGHLDD-UHFFFAOYSA-N	374.554	2.381	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@]1(OCCO)CCOC1	855404843	BUSOSBBMKQHJCA-SFHVURJKSA-N	364.467	2.053	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCN2CCSC[C@H]12	925143017	PGTRJIFZWFOFEI-ZWKOTPCHSA-N	362.543	2.474	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C3CCN(CC(F)F)CC3)C2)cc1	855223322	FLYVKCGNJKIILU-HNNXBMFYSA-N	367.440	2.367	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@@H]3[C@@H]4C[C@H]5[C@H](CO[C@H]53)C4)CC2)cc1	868901722	AFVVEOGHVNRYJR-TYIJSKFUSA-N	371.481	2.340	10	10	FECE	
CC[C@@H](OC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)C(=O)OC	762760179	CZDLWVKZORYSKW-CQSZACIVSA-N	367.357	2.153	10	10	FECE	
CCOc1ccc(O)c(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1	768301942	BRLRTPKZVBJAQT-UHFFFAOYSA-N	358.398	2.416	10	10	FECE	
C[C@H](NC(=O)[C@H]1C[C@@H](O)CCN1C(=O)OC(C)(C)C)c1ccccc1O	1877567725	OWRLKOACKUGSHN-KCQAQPDRSA-N	364.442	2.330	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1	798070348	OJDLQCJNXPOKFF-FYUFSVPTSA-N	358.438	2.408	10	10	FECE	
C[C@@H](C[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	1143153356	YYJDMGIAGLFTBN-NEPJUHHUSA-N	352.431	2.448	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3nc(C)n4ncccc34)CC2)cc1	1084483260	CMYFPLBXSDWNRW-UHFFFAOYSA-N	351.410	2.009	10	10	FECE	
CN(C)c1ccc(CN(C(=O)C(=O)NC[C@@H]2CCOC2(C)C)C2CC2)cc1	1261732300	RCMQCEYAHJLOGV-INIZCTEOSA-N	373.497	2.175	10	10	FECE	
C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)CNC(=O)[C@@H]1C[C@H]1C1CC1	1285228923	LPZFNAGTEQAWQI-XFBWCDHKSA-N	371.441	2.377	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@@H](CO)Cc2cnn(C)c2)c1	1299615092	UNJJQVUPNQNTSR-GOSISDBHSA-N	366.465	2.469	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc2nc(O)[nH]c2c1	1638529688	SPPGZCQSWGQGJJ-UHFFFAOYSA-N	369.377	2.180	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2124509654	OOSTUQUMINJEGU-XNJGSVPQSA-N	365.434	2.314	10	10	FECE	
Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)NCc1ccc(O)c(O)c1	1595595635	ILSBHKKSMJINTP-UHFFFAOYSA-N	362.386	2.108	10	10	FECE	
COc1ccc([C@H](C)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)c(O)c1	2126902072	MFFGKQUJLCAAFM-MAZHCROVSA-N	366.458	2.422	10	10	FECE	
O=C(NCc1cc(=O)n2ccccc2n1)NCc1cc(Cl)ccc1O	1683548384	SYOVMIWVHJYEFN-UHFFFAOYSA-N	358.785	2.053	10	10	FECE	
Nc1ccc(NC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1	160446456	BJXUXXFKBWXHEQ-UHFFFAOYSA-N	373.356	2.205	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)[C@@H]2CNC(=O)c1cccc(O)c1O	2138562176	XJVOLKLFCBOJSX-BNOWGMLFSA-N	362.426	2.331	10	10	FECE	
COc1cccc(CNC[C@H]2CO[C@@H](CNC(=O)OC(C)(C)C)C2)c1O	1967888703	KMTUZNYMDATIJC-DZGCQCFKSA-N	366.458	2.420	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](CC(=O)NCc2ccccc2O)O1	1969154566	OWACLGDXVODNFP-HIFRSBDPSA-N	364.442	2.423	10	10	FECE	
COC(C)(C)[C@H](N)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	1952207759	FWAUFKQQIJZFEM-IUODEOHRSA-N	354.447	2.286	10	10	FECE	
O=S1(=O)CCC[C@H]2CN(Cc3ccc(Br)cc3O)C[C@@H]21	2145070693	DBBPPRMIMFPHNY-FZMZJTMJSA-N	360.273	2.164	10	10	FECE	
C[C@@H](N)c1ccc(N2CC[C@H]3CS(=O)(=O)C[C@H]32)cc1Br	2151274472	LLPDLZGQDNLPLH-ISTVAULSSA-N	359.289	2.092	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)c1c(O)nc(=O)n(Cc2ccccc2)c1N	2192595770	IQFTYEAPCOPPGP-ZDUSSCGKSA-N	366.421	2.482	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)CCCO1	2060636047	STCNNMGKOKHVAW-WBMJQRKESA-N	353.423	2.362	10	10	FECE	
CO[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(C)c1O	2084068619	QOLWLGARWVKFQG-JSGCOSHPSA-N	352.431	2.245	10	10	FECE	
CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)Nc1ccc(N)cc1	2106283933	LTPTWFHDJWCHKP-ZNMIVQPWSA-N	364.446	2.461	10	10	FECE	
O=S1(=O)C[C@H]2CCC[C@@]2(NCc2cccc(Br)c2O)C1	2201868604	WBNWOROYLBIFOT-BXUZGUMPSA-N	360.273	2.212	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])CO1	2218737053	DOKHNVPSMTZDND-RVMXOQNASA-N	353.423	2.264	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1CN(CC(=O)Nc1ccc(N)cc1)C2	2234879134	SDDZPRSHOYKDQN-KEYYUXOJSA-N	374.485	2.442	10	10	FECE	
CCN1C(=O)C(=C2SC(=S)N([C@H](C)C(=O)O)C2=O)c2ccccc21	2293308690	YOUAUWODSIYXAY-MRVPVSSYSA-N	362.432	2.098	10	10	FECE	
CC[C@@H](Oc1cccc(C=C2SC(=S)N(CCO)C2=O)c1)C(=O)O	2314929494	NMHNZKKRVAPJQJ-GFCCVEGCSA-N	367.448	2.122	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NC(=O)Nc3ccc(N)cc3)CO[C@@H]1C2	2334244942	HTTJUNBVYCNWES-LBTNJELSSA-N	362.430	2.215	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnn4ccc(C)nc34)CC2)cc1F	84814490	MTNZRHPAQBEZDO-UHFFFAOYSA-N	369.400	2.148	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3[C@H]4CCO[C@H]4C3(C)C)CC2)cc1	246909828	MJMKTZMWQAKEGP-KZNAEPCWSA-N	359.470	2.340	10	10	FECE	
CCCCCNC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1	242551541	CBKWJRAFXMMHCD-MOPGFXCFSA-N	373.497	2.286	10	10	FECE	
CN(CCCO)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	374238227	AWOBYMBJXDDSMN-UHFFFAOYSA-N	357.401	2.281	10	10	FECE	
O=C(CCOC[C@H]1CCCO1)NCc1cc(Br)ccc1O	804739541	JCSKLBLVCXAAGO-CYBMUJFWSA-N	358.232	2.357	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CC[C@@H]4C[C@H]4C3)nc12	817202269	PTFKZCPIACZTCG-UTUOFQBUSA-N	359.382	2.091	10	10	FECE	
Cc1cc(CC(=O)N2CCCN(C(N)=O)CC2)c(C)n1-c1ccccc1	825406506	ULYWWHVCAVULOQ-UHFFFAOYSA-N	354.454	2.250	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N(C)Cc2ccc(N(C)C)cc2)c1	732053724	BBFOUCYRRPTKGE-YFHOEESVSA-N	352.438	2.179	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NC[C@@H]2CCCNC2=O)c1O	848552488	LDJSFVQWVGKXSP-ZJUUUORDSA-N	357.248	2.340	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N(C)C[C@@H]2CCS(=O)(=O)C2)cc1	740906984	KVMAITQPMAPTBI-INIZCTEOSA-N	367.515	2.109	10	10	FECE	
CC1(C)O[C@H]2C[C@H](NCc3ccc(N4CCOCC4)c(F)c3)C[C@H]2O1	922875155	NKGUPOZHALBDIE-GJWQZFMSSA-N	350.434	2.434	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC(O)(c4ccccc4)C3)C2)cc1	854297648	PZEPFQKUPZGAIG-KRWDZBQOSA-N	367.449	2.187	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1c2ccccc2CC[C@@H]1CN	852755987	OTIJFRCETDWTAT-HXUWFJFHSA-N	366.509	2.491	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2C[C@H]2c2ccsc2)c1	863005248	NVKHVFJRJGZRRS-WCQYABFASA-N	352.437	2.111	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@H](C)c3ccnn3C)CC2)cc1	869177343	RMMNBCYLGILNJL-OAHLLOKOSA-N	357.458	2.412	10	10	FECE	
C[C@H](N[C@H]1CCN(CC(C)(C)O)C1)c1ccc(N2CCOCC2)c(F)c1	866411515	OIZBVPZUENHQOC-RDJZCZTQSA-N	365.493	2.158	10	10	FECE	
O=C1CN(C2CCC2)C(=O)N1Cc1ccc(N2CCC(O)CC2)c(F)c1	761096834	GGXDARCTUCMORS-UHFFFAOYSA-N	361.417	2.104	10	10	FECE	
CO[C@@H]1CCn2cc(C(=O)NCc3ccc4cccnc4c3O)nc2C1	868937868	OCKVOFDKSAVPDQ-CQSZACIVSA-N	352.394	2.028	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ncn(C(C)(C)C)n2)cc1	784666030	NKPMCXZTMGSWAY-UHFFFAOYSA-N	372.473	2.134	10	10	FECE	
CN(C)S(=O)(=O)c1ccccc1NNC(=S)Nc1ccc(F)cc1	793328648	XSVCBNYLGULXQQ-UHFFFAOYSA-N	368.459	2.390	10	10	FECE	
CC[C@@H]1OCC[C@H]1C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	796231253	JNUDHMZGBRGARC-APWZRJJASA-N	363.477	2.399	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2Cc3cc(F)c(F)cc3C2)c1	1143401621	VIIBBFPUYDOXOS-UHFFFAOYSA-N	368.361	2.198	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CN(Cc2ccccc2)CCCO1	1154283258	ARECDICFKIRZOG-SFHVURJKSA-N	370.449	2.048	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)NC[C@]3(O)CCN(C)C3)c2C)c1	1313133861	XDLCCNUSJBSROP-OAQYLSRUSA-N	370.497	2.268	10	10	FECE	
Cc1cc(Br)cc(CN(C)CCCS(C)(=O)=O)c1O	694183242	MDFWXEFLNRKNPU-UHFFFAOYSA-N	350.278	2.330	10	10	FECE	
CO[C@H]1C[C@H](CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1	1334652792	IGABPLKZXBSUJI-SAABIXHNSA-N	361.486	2.031	10	10	FECE	
Cc1cc(N2CCC[C@H](NC(=O)c3ccc(N=NC(N)=O)cc3)C2)n(C)n1	1297186415	CBGFLZSJVSGVOY-HNNXBMFYSA-N	369.429	2.290	10	10	FECE	
O=C(Nc1c(Cl)ccc2nonc12)c1ccc2c(c1)C(=O)NCCO2	1531533222	GUAZNTHIUKCBIU-UHFFFAOYSA-N	358.741	2.251	10	10	FECE	
CC[C@](C)(NC(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2)C(N)=O	1538737021	MKTDJSQBBXQPOA-FQEVSTJZSA-N	357.454	2.299	10	10	FECE	
COc1ccc(N(C)CCN(C)CC(=O)N2C[C@@H](C)OC(C)(C)C2)cc1	1473610985	WQNAOCCHXAGXQQ-MRXNPFEDSA-N	363.502	2.089	10	10	FECE	
CCOC(=O)C[C@](C)(NCC(=O)NCc1ccc(N(C)C)cc1)C(C)C	1617421035	QTKDKAYFHCYLJJ-FQEVSTJZSA-N	363.502	2.326	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1	1618330189	PAKMTJUYOMZMJG-UHFFFAOYSA-N	355.354	2.040	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2C(=O)NCCc1ccc(O)c(O)c1	2124152171	FRJNHCZPSSWODN-DVOMOZLQSA-N	362.426	2.012	10	10	FECE	
O=C(NCc1ccc(O)nn1)N(Cc1ccco1)Cc1ccccc1O	1564816129	CHVJMFNQABYJLQ-UHFFFAOYSA-N	354.366	2.393	10	10	FECE	
CCN1CC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	1631425428	FOXIOWGXAUZTKY-CVEARBPZSA-N	351.878	2.220	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](C(=O)NCC1(CN=[N+]=[N-])CC1)[C@H]1CCOC1	2124508423	PFGQUAKJUQBCHK-QWHCGFSZSA-N	367.450	2.371	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3csc(Cl)n3)cc2)CC1	1598277000	IXLUHBVNFAAQOS-UHFFFAOYSA-N	350.875	2.478	10	10	FECE	
CC(=O)N[C@@H]1C[C@H](N=[N+]=[N-])[C@@H](COC(C)=O)O[C@@H]1OCc1ccccc1	5639323	FZXYALHDJKZBGF-HZMVEIRTSA-N	362.386	2.065	10	10	FECE	
CN1C(=O)COc2cc(/N=N/N3CCN(c4ccccn4)CC3)ccc21	1860487517	BICRXHXMDWTYNG-QZQOTICOSA-N	352.398	2.258	10	10	FECE	
C[C@@H](c1c(O)cccc1O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C1	2136335386	IQHIQBBPFXWCAB-BBATYDOGSA-N	366.414	2.213	10	10	FECE	
C[C@H](N)c1ccc(N2C[C@H](C)S(=O)(=O)[C@H](C)C2)cc1Br	400886800	JQQDDRNAPMLJNT-AXFHLTTASA-N	361.305	2.481	10	10	FECE	
COc1cccc(O)c1[C@@H](C)n1ncc(CN)c1I	2070409653	TZAGNGOLSGNZPV-MRVPVSSYSA-N	373.194	2.270	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CN(CC(=O)Nc2ccc(N)cc2)CC12CC2	2106756424	HHKSDIIKOKVHCF-HNNXBMFYSA-N	360.458	2.196	10	10	FECE	
Cn1ncc(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])c1CNC(=O)OC(C)(C)C	2225795572	OWFQGEKXCNIEGE-RYUDHWBXSA-N	363.422	2.406	10	10	FECE	
COc1ccc(N2CC[C@H](CO)[C@@H](NC(=O)OC(C)(C)C)C2)c(OC)c1	2226807139	VEQJFULNYIEVHP-HIFRSBDPSA-N	366.458	2.416	10	10	FECE	
NC(=O)c1cncc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1	301596680	ZKPYMGNGVUVQJR-NSHDSACASA-N	363.368	2.258	10	10	FECE	
CCCCN(C)c1cnnc(N2CCN(c3ccc(OC)cc3)CC2)n1	244170162	VDBGZUBNPCBRII-UHFFFAOYSA-N	356.474	2.443	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N2CCN(C)c3ccc(F)cc32)c1	255094761	VHEFFDSVKGCGTO-UTCJRWHESA-N	354.385	2.077	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]21	251638074	HBRGXCUCLHRQMB-OTWHNJEPSA-N	359.470	2.232	10	10	FECE	
Cc1ccc([C@](C)(O)CNC(=O)/C=C\c2ccc(N3CCOCC3)cc2)o1	255161941	CZPSEIMDXMHNIF-RACPOZDESA-N	370.449	2.462	10	10	FECE	
Cc1n[nH]cc1-c1nnc(NCc2ccc(N3CCOCC3)cc2)s1	364641461	AMXFCYJBZGOSRL-UHFFFAOYSA-N	356.455	2.685	10	10	FECE	
Cc1ccc(CN2CCC[C@@H](S(C)(=O)=O)C2)c(O)c1Br	2380714929	UNTLNWDSMVJSPG-GFCCVEGCSA-N	362.289	2.472	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@H]3C[C@@H]32)C1	646748714	RTYHCAVKNDDDIY-PMACEKPBSA-N	353.466	2.408	10	10	FECE	
COc1cc(N2CCN(C(=O)N[C@H]3CC[C@@H]3C)CC2)cc(OC)c1OC	805866417	MCCYWSFYRSJWDY-ZFWWWQNUSA-N	363.458	2.343	10	10	FECE	
Cc1ccc(C(=O)Nc2cccc(N3C(=O)N[C@@H](C)C3=O)c2C)c(O)c1O	813852181	XWFZIZBHCSOVOV-NSHDSACASA-N	369.377	2.412	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCCc4n[nH]cc43)C2)cc1	819584672	OITPSQIEMFIWDB-RHSMWYFYSA-N	354.454	2.481	10	10	FECE	
CN1CCC[C@@](O)(CC(=O)N(Cc2ccco2)Cc2ccccc2O)C1	901056234	WVGRWEQUGNRTJZ-HXUWFJFHSA-N	358.438	2.361	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N2C[C@@H](C)Oc3c(F)cccc32)c1	588512989	UGAAQYCXAXSDEH-ZHRWSRJISA-N	355.369	2.408	10	10	FECE	
C[C@H](NC(=O)N(C)[C@H]1CCN(C2CC2)C1)c1ccc(N2CCOCC2)cc1	732457285	YDPGABINOFMYHV-JXFKEZNVSA-N	372.513	2.462	10	10	FECE	
c1cc(N2CCOCC2)ccc1Cn1cc(CCN2CCCCC2)nn1	900599799	ANEGJABLSRVQPE-UHFFFAOYSA-N	355.486	2.191	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N(C)C[C@H]2CCCO2)cc1	839224648	UKTOEOBOVBFIOB-GOSISDBHSA-N	361.486	2.129	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H]3COCC3(C)C)CC2)cc1F	836637858	DEUHJBIMSOUWLF-INIZCTEOSA-N	351.422	2.091	10	10	FECE	
C[C@H](NC(=O)NC[C@H]1C[C@@H](N(C)C)C1)c1ccc(N2CCOCC2)cc1	847298501	MCZZJMXVEJPEHR-TXPKVOOTSA-N	360.502	2.224	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3C[C@]45CCCC[C@]4(COC5)C3)cc2N1	853990079	XSQAJGYRLOWQPN-HDICACEKSA-N	359.382	2.323	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)NCCO[C@H]2CC2(F)F)cc1	852527037	APPSJLSYDHRPQS-HNNXBMFYSA-N	357.401	2.197	10	10	FECE	
Cc1cc(CN2CCN(S(C)(=O)=O)[C@H](C)C2)ccc1N1CCCCC1	852529967	PSCQZCYOQSGJEV-QGZVFWFLSA-N	365.543	2.451	10	10	FECE	
C[C@H](NC[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)c1ccccc1O	931553312	BKUADNSIGKQSIV-BBRMVZONSA-N	370.515	2.044	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H]2CCNC(=O)CC2)cc1	861995735	DXMSTZRIIRNYAQ-SFHVURJKSA-N	367.449	2.234	10	10	FECE	
COC(=O)COc1ccc(N(C)Cc2cn(C)nc2Br)cc1	862322084	FMLXGQDIMLZFIT-UHFFFAOYSA-N	368.231	2.371	10	10	FECE	
O=C(CCS(=O)(=O)C1CCCC1)NCc1ccc2cccnc2c1O	862029134	RTUIOFHSGAKJQQ-UHFFFAOYSA-N	362.451	2.304	10	10	FECE	
CN1C[C@@H]2CC[C@H](NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)[C@H]2C1	1123704480	BXIKMHFGBLYXAS-NQYYFHDYSA-N	373.497	2.423	10	10	FECE	
C[C@@H](NC(=O)CN1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O	1877569155	YKMBBGOUVGMRNV-ZIAGYGMSSA-N	363.458	2.168	10	10	FECE	
COC(=O)c1c(CN2CC[C@H](O)C(F)(F)C2)c2cc(F)ccc2n1C	895251460	WEILCSKOXRKOEA-AWEZNQCLSA-N	356.344	2.306	10	10	FECE	
Cc1ccc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)c(O)c1O	799086568	CXXYPGACFJEUGV-CZUORRHYSA-N	354.406	2.326	10	10	FECE	
CO[C@@H]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1312386744	GEVPDKKPIRRCMR-YTQUADARSA-N	362.518	2.470	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1	1964873219	FLZHSFSVLWAFMO-ZBFHGGJFSA-N	364.442	2.423	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(-c2n[nH]c(Cl)n2)n1CC1CC1	1346077202	SDSWOWNHDSVROF-UHFFFAOYSA-N	359.821	2.469	10	10	FECE	
COc1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1S(C)(=O)=O	1452934738	DHIOJLGYNVYJBC-UHFFFAOYSA-N	369.826	2.388	10	10	FECE	
Cc1cc(CC(=O)N2CCC[C@@H](CO)[C@H]2CO)c(C)n1-c1ccccc1	1471985856	PXEQONDMBAMHKW-FXAWDEMLSA-N	356.466	2.228	10	10	FECE	
COc1ccc(CNC(=O)/C=C\c2ccc3c(c2)NC(=O)CO3)c(O)c1	1617762479	JCMXYGNAFRSDJD-CLTKARDFSA-N	354.362	2.061	10	10	FECE	
Cn1c(CCNC(=O)/C=C/c2ccc(O)c(O)c2)nnc1-c1ccccc1	1633759345	MQPBESFBZARIMA-CSKARUKUSA-N	364.405	2.265	10	10	FECE	
COc1ccc(C2=NO[C@H](CNC(=O)Cc3ccc(O)c(O)c3)C2)cc1F	1556328602	IZEUBZBIPIEMEK-ZDUSSCGKSA-N	374.368	2.097	10	10	FECE	
O=C(N[C@@H](CO)Cc1ccc(O)cc1)c1cc2cc(O)c(O)cc2s1	1632574980	NMLWOHKZUHFZCF-GFCCVEGCSA-N	359.403	2.352	10	10	FECE	
O=C(NCc1cccc(Cl)c1O)N[C@@H]1CCO[C@H]1c1ccc(O)nc1	1565201869	OJKMFLLFASQIAX-CJNGLKHVSA-N	363.801	2.476	10	10	FECE	
COC(=O)[C@](C)(NC(=O)c1ccc(C)c(O)c1O)c1cccc([N+](=O)[O-])c1	1586786587	WUEPFWOOVVHIQB-GOSISDBHSA-N	374.349	2.133	10	10	FECE	
CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2127464722	ZAPVMCBSOMIRPK-QWHCGFSZSA-N	367.450	2.465	10	10	FECE	
COc1ccc(CN[C@@H]2CC[C@H](CNC(=O)Cc3ccn(C)n3)C2)cc1C	1691585882	JRHRNCCTVGOCEK-ZWKOTPCHSA-N	370.497	2.354	10	10	FECE	
CC[C@H]1SC(=S)N(CCCCCC(=O)NC[C@H]2CCCO2)C1=O	11636791	TUXNGPQSPBGCPL-CHWSQXEVSA-N	358.529	2.481	10	10	FECE	
CCC1(CNC(=O)c2cc(O)c(O)c(O)c2)CN(C(=O)OC(C)(C)C)C1	2132411679	XGVKMOJNTNUMPV-UHFFFAOYSA-N	366.414	2.180	10	10	FECE	
C[C@@H](NC(=O)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O	1262495769	LCGDIJPTTWWXGQ-YJYMSZOUSA-N	364.442	2.331	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCNc3ccccc32)=C[C@@H]1O	2136312594	RNPWURXOUGFDCR-ZBFHGGJFSA-N	359.426	2.029	10	10	FECE	
C[C@@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc(O)cc1O	397411517	TYXYSPMPFHQLPK-TZMCWYRMSA-N	352.431	2.384	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1CC(=O)C(=O)C[C@H]1C[C@H](N)C1	2049785941	HIPTUJRFDXCLPK-IHRRRGAJSA-N	350.459	2.432	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](C)(CNC(=O)c2cccc(O)c2O)C1	2054415479	CYQVWJFRAJATFN-SFHVURJKSA-N	350.415	2.475	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@@H]1CN=[N+]=[N-])[C@@H]1CCCO1	2060637766	OOFQLZLDJOKAPX-FRRDWIJNSA-N	353.423	2.360	10	10	FECE	
CCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CN=[N+]=[N-])CC1	2060632793	GDLSLPORZYKXTJ-CYBMUJFWSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NC(=O)COc1ccc(N)cc1	2106233343	OIPFNRRXCPVABD-CZUORRHYSA-N	363.458	2.457	10	10	FECE	
CN(C)c1ccc(OCC(=O)CCN2C(=O)c3ccccc3C2=O)cc1	2211925359	NFBXIAMOEAYWCJ-UHFFFAOYSA-N	352.390	2.387	10	10	FECE	
CC(C)(C)OC(=O)NCCc1n[nH]cc1C(=O)NCC1(CN=[N+]=[N-])CC1	2227025477	NPXSSFHDNOLXAD-UHFFFAOYSA-N	363.422	2.297	10	10	FECE	
CCN(Cc1cnn(C)c1)C(=O)C=Cc1ccc(N2CCOCC2)cc1	2297505859	FACLBGIGNMTSPM-UHFFFAOYSA-N	354.454	2.319	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)NCCCOC[C@@H]1CCCO1	2297554270	NZXSQSBOXMLJDP-FQEVSTJZSA-N	374.481	2.238	10	10	FECE	
CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCCc1ccc(O)c(O)c1	98074541	DUKOBWHZDWUYQA-SFHVURJKSA-N	374.412	2.350	10	10	FECE	
CN(C)c1ncc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cn1	154337097	DFCMYONQMOEVAM-UHFFFAOYSA-N	372.498	2.418	10	10	FECE	
COC(=O)[C@@H]1C[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	245404409	PCMXLQSQROQIPY-RCCFBDPRSA-N	360.454	2.069	10	10	FECE	
O=C(c1cccc(O)c1O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21	404168912	SCANVGCGWFTWSR-PKOBYXMFSA-N	368.433	2.213	10	10	FECE	
C[C@@H](NC(=O)c1cnccc1N(C)C)c1ccc(N2CCOCC2)cc1	759603978	YCPBMEMQXZEJBB-OAHLLOKOSA-N	354.454	2.475	10	10	FECE	
COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc(N2CCN(C)CC2)cc1	786578171	JEFBQJSKNSBPFB-HOJAQTOUSA-N	357.498	2.212	10	10	FECE	
C[C@H](CCNC(=O)NCc1cc(Br)ccc1O)[S@@](C)=O	805217942	QXQHRMSISTZFEY-GSDQLPOLSA-N	363.277	2.111	10	10	FECE	
C[C@@H](NC(=O)N[C@H](C)C1(S(C)(=O)=O)CC1)c1ccc(N(C)C)cc1	805308232	CSDQBYMXJFARGJ-CHWSQXEVSA-N	353.488	2.079	10	10	FECE	
CC(=O)C(=O)COC(=O)C1(c2ccc(I)cc2)CC1	808546895	BHDAQVFHNZPUEU-UHFFFAOYSA-N	372.158	2.024	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3CCc4nc[nH]c4C3)C2)cc1	823629423	UZBQUSLWKIERAO-CABCVRRESA-N	369.469	2.101	10	10	FECE	
CO[C@H]1CC[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	829256135	YBNHDTXGKCUXQC-ZBFHGGJFSA-N	350.434	2.218	10	10	FECE	
CN1CC[C@H](NC(=O)C(=O)Nc2ccc(N)cc2)[C@H]1c1ccc(F)c(F)c1	841077017	WSNGSFWWFWNQRC-DLBZAZTESA-N	374.391	2.047	10	10	FECE	
CCc1cc(O)ccc1NS(=O)(=O)c1coc(C(=O)N(C)C)c1C	842587465	GGOKCSUDVSPGGD-UHFFFAOYSA-N	352.412	2.359	10	10	FECE	
C[C@H]1CN([C@H](C)CNC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H](C)O1	847405998	VEFANUMXNNZJFQ-ZACQAIPSSA-N	362.518	2.392	10	10	FECE	
O=C1NCC[C@@H]1NCc1ccc(N2CCCCC2)c(Br)c1	850342684	IWSFYUSFMHRGFY-AWEZNQCLSA-N	352.276	2.418	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCOC[C@H]3CC(F)F)C2)cc1	854297610	PDQGYSXGLFBWNH-DZGCQCFKSA-N	369.412	2.340	10	10	FECE	
COc1cc(N2CCN(Cc3n[nH]c(C)c3C)CC2)cc(OC)c1OC	894462423	YBKHDBQXOIQNSF-UHFFFAOYSA-N	360.458	2.375	10	10	FECE	
COC(=O)c1c(CNC[C@H](OC)[C@H]2CCOC2)c2cc(F)ccc2n1C	895225491	JIMFNFNSRLTAJP-SJCJKPOMSA-N	364.417	2.245	10	10	FECE	
Cc1cc(C(=O)N[C@H](C[C@@H]2CCCOC2)C(=O)O)c(C)n1-c1ccccn1	910237151	SUVPAPVWRRZVCJ-DOTOQJQBSA-N	371.437	2.489	10	10	FECE	
O=C(O)CCCN1C(=O)/C(=C/c2cnn(-c3ccccc3)n2)SC1=S	916568990	UQVFAQCPHQZVGI-LCYFTJDESA-N	374.447	2.333	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N2CCCC[C@@H]([C@@H]3CCOC3)C2)cc1	929237352	JPJVKCANKMWJFX-QZTJIDSGSA-N	373.497	2.034	10	10	FECE	
COC(=O)[C@](C)(CO)NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C	1161405197	BGNGVWNIXCPEGC-FQEVSTJZSA-N	358.438	2.365	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](C)c2nnc(O)n2C)c1	1163835379	CFJZKDZAPKDBJX-LBPRGKRZSA-N	367.409	2.232	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)c3cncc4ncn(C)c34)CC2)cc1	1351800350	NDWSKRGCSIWYCB-UHFFFAOYSA-N	365.437	2.329	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)C(C)(C)C1	1636255546	VMGYXINBBAZYDS-HNNXBMFYSA-N	364.442	2.402	10	10	FECE	
COc1cc(N2CCN[C@H](c3ccc(O)cc3)C2)c([N+](=O)[O-])cc1OC	1652185989	BLPXLFNYJLDJSD-AWEZNQCLSA-N	359.382	2.469	10	10	FECE	
C#C[C@H](C)N(C)c1nnc(C2CC2)n1Cc1ccc(N2CCOCC2)cc1	1705494382	ZELBFDIKNSRQCF-INIZCTEOSA-N	365.481	2.498	10	10	FECE	
COCC(CN)(COC)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1	1881502508	YXKJEWXJJZDQHK-UHFFFAOYSA-N	367.490	2.138	10	10	FECE	
CCCN(Cc1ccc(N)cc1)C[C@@H](O)CN1C(=O)c2ccccc2C1=O	2025441101	LXRLLUPPKFYODZ-QGZVFWFLSA-N	367.449	2.138	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](C(=O)N1CC(N=[N+]=[N-])C1)C1CCOCC1	2060612572	HUNLDTFORBSLGS-ZDUSSCGKSA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)NCCCCN=[N+]=[N-])[C@@H]2C1	2060634601	BSKYRPKSEJQAEA-XQQFMLRXSA-N	353.423	2.075	10	10	FECE	
COC1([C@H](NC(=O)OC(C)(C)C)C(=O)N2CC(N=[N+]=[N-])C2)CCCC1	2060640656	XHPGQJYAPFZAPH-GFCCVEGCSA-N	353.423	2.360	10	10	FECE	
Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=NCc1c(O)cccc1Cl	2063125686	WRLGSEKKDXHRCI-UHFFFAOYSA-N	367.837	2.233	10	10	FECE	
CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1[C@H](O)[C@H](N)c1ccccc1O	2076979361	XHEQFUMSDOUKRF-BNOWGMLFSA-N	358.385	2.398	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@]2(F)CCC[C@]2(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1	2115652197	FKECCAAPRHMCEO-YJZQOORCSA-N	368.449	2.381	10	10	FECE	
C[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)[C@H](C)[C@@H]1NC(=O)C(F)(F)F	2118182760	YSOICQXHSIICTK-JRKPZEMJSA-N	360.332	2.015	10	10	FECE	
Nc1ccc(CC(=O)NC[C@@]23CN(Cc4ccccc4)C[C@@H]2CCO3)cc1	2175196724	DLYSBECFHBCAQR-SIKLNZKXSA-N	365.477	2.219	10	10	FECE	
CN(C[C@]1(Br)CC1(F)F)S(=O)(=O)Cc1ccc(N)cc1	2202543833	WNCDIGIFACOSDT-LLVKDONJSA-N	369.231	2.203	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-]	2225794491	GIEFWKPNRAWPGE-AVGNSLFASA-N	363.422	2.193	10	10	FECE	
CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)NCC3(CN=[N+]=[N-])CC3)(C1)C2	2254816251	FQNYOZNRRYQJRH-WKILWMFISA-N	351.407	2.019	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)NCc1cccc(CN2CCOCC2)c1	2307986665	PTJIZFIJRRXRLM-UHFFFAOYSA-N	368.433	2.260	10	10	FECE	
C[C@@H](O)[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S	2323823667	DEFXSMHZBJNPTD-HQJQHLMTSA-N	357.840	2.375	10	10	FECE	
COc1ccc(OC)c([C@@H]2CC(=O)NC(NC(=O)c3ccc(C)cc3)=N2)c1	6868787	KVTCCRNSIFPFKE-INIZCTEOSA-N	367.405	2.359	10	10	FECE	
CS(=O)(=O)Nc1cccc2c1CCN(Cc1cc(F)ccc1O)C2	179949107	CJKMEIDPZFQVDX-UHFFFAOYSA-N	350.415	2.461	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccccc3-n3ccnn3)CC2)cc1	181440177	CRVSMPUWGQPNIV-UHFFFAOYSA-N	363.421	2.238	10	10	FECE	
O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/C=C\c2ccccc2)SC1=S	33862277	HHZNREZBHSAEEX-NGGMQYGASA-N	363.416	2.372	10	10	FECE	
CCCn1cnnc1COC(=O)/C=C/c1ccc(N2CCOCC2)cc1	124390998	GFUAYYJSGWSOOZ-VMPITWQZSA-N	356.426	2.281	10	10	FECE	
C[C@H]1C[C@@H]1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	80023668	UQZRDPKPLVLISL-CABZTGNLSA-N	352.437	2.393	10	10	FECE	
COc1ccc(N2CCN(c3nccc(C(=O)NC(C)(C)C)n3)CC2)cc1	243147746	JMPYMOQJBFPVKX-UHFFFAOYSA-N	369.469	2.340	10	10	FECE	
CC(=O)NCCN(C(=O)c1cc(C)n(-c2ccccc2)c1C)[C@@H](C)C(=O)O	262160661	BZRACZLITVMLQF-HNNXBMFYSA-N	371.437	2.146	10	10	FECE	
CCOC(=O)[C@@H]1C[C@@H](N=[N+]=[N-])[C@H](O)C[C@@H]1NC(=O)OCc1ccccc1	261310808	XEIPEUFVSGQVHR-LXTVHRRPSA-N	362.386	2.294	10	10	FECE	
COc1cc(O)c(CN2CCCC[C@@H]2CCS(C)(=O)=O)cc1OC	366532268	CEFMSUNLJNVFTF-CQSZACIVSA-N	357.472	2.199	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCOC[C@@H]2[C@@H]2CCCO2)c([N+](=O)[O-])c1	376259127	BCPFTLBRMBPODU-PRPGUUAMSA-N	362.382	2.165	10	10	FECE	
COc1nccc(NC(=O)NCc2cc(Br)ccc2O)n1	806438953	WIEFSFNKZKHARP-UHFFFAOYSA-N	353.176	2.275	10	10	FECE	
O=C(NCCOc1cccnc1)NCc1cc(Br)ccc1O	805117378	MOGUYSBNGBPBRG-UHFFFAOYSA-N	366.215	2.428	10	10	FECE	
COc1ccc(O)c(CN[C@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)c1	2133756596	XXTPXVQJLBTPSF-LJQANCHMSA-N	366.458	2.252	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCCN(c3ncccn3)C2)c1	728948551	CSUIUXGVMMQPAJ-ZIAGYGMSSA-N	371.441	2.220	10	10	FECE	
CCS(=O)(=O)N1CCC(CNC/C=C\c2ccc(N(C)C)cc2)CC1	835046984	BFRSHVPKKRYIRA-WAYWQWQTSA-N	365.543	2.417	10	10	FECE	
COc1cc(Br)cc([C@@H](C)N[C@@H]2CCC(=O)N(C)C2)c1O	848528725	NSTRKAOBKKRUFR-MWLCHTKSSA-N	357.248	2.435	10	10	FECE	
O=C1CN(Cc2ccccc2O)C(=O)N1C[C@H]1CCC2(CCOCC2)CO1	925069755	DDLMQKIRGVDGTA-MRXNPFEDSA-N	374.437	2.132	10	10	FECE	
C[C@@H](NC(=O)NC1CCC(N2CCNCC2)CC1)c1ccc(N(C)C)cc1	841880690	GGQWUVSPAXSIIQ-PPDQVPDSSA-N	373.545	2.329	10	10	FECE	
COC(=O)/C=C/c1ccc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)o1	855225715	LQEJQYWUOOBCCE-QSYFUGGGSA-N	370.405	2.483	10	10	FECE	
COc1ccc(N2CCCN(C(=O)NCCc3cncc(C)n3)CC2)cc1	852607898	PNAQZDNASDJLNC-UHFFFAOYSA-N	369.469	2.258	10	10	FECE	
C[C@H](NC[C@H]1COCCN1C)c1ccc(N2CCOCC2)cc1Cl	858520095	CZHBFHFOPMBHAH-HOCLYGCPSA-N	353.894	2.158	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cnc4n[nH]c(C)c4c3)C2)cc1	855233360	XNXLKZFAMVSFHO-AWEZNQCLSA-N	351.410	2.284	10	10	FECE	
C[C@@H](N[C@H]1CCc2nnn(C)c2C1)c1ccc(Br)cc1O	927147523	SNTOYHBLKLIDJR-KOLCDFICSA-N	351.248	2.491	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3cccc(C)c3F)C2)cc1	850537564	SBLWDRLYGUCCTK-AWEZNQCLSA-N	371.412	2.476	10	10	FECE	
COC(=O)[C@]1(OC)CCN(Cc2ccc(N3CCC(OC)CC3)cc2)C1	859557280	SMKSWDIYAFXGLD-FQEVSTJZSA-N	362.470	2.066	10	10	FECE	
CC1(C)C[C@H](S(=O)(=O)NCc2cccc(Br)c2O)CO1	859133654	DKKFJALVCIKCOY-JTQLQIEISA-N	364.261	2.142	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3ccc(N(C)C)nc3)C2)cc1	851954711	WBJJZOACFVIRDB-MRXNPFEDSA-N	369.469	2.234	10	10	FECE	
CN(C)c1ccc(CNC(=O)NCC[S@@](=O)CC(F)(F)F)cc1F	852460659	PNGHQXOGFSDQSE-XMMPIXPASA-N	369.384	2.002	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3C[C@]4(C)CNC[C@]4(C)C3)CC2)cc1	861572878	XOIWOKQMZNPJLW-OYRHEFFESA-N	372.513	2.305	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CN(C)C(=O)c2ccccc21	935945603	DFLIXPGRCHDAFR-OAHLLOKOSA-N	359.422	2.364	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3C[C@H]4C=C[C@H]3O4)cc2F)C[C@@H](C)O1	1119763226	ODJOPZSHCTYZQC-PNHMNYGYSA-N	360.429	2.399	10	10	FECE	
O=C1C[C@H]([C@@H]2CCCCN2C(=O)c2cc3cc(O)c(O)cc3s2)CN1	897263667	LCYJKOPZRCYVLT-RYUDHWBXSA-N	360.435	2.443	10	10	FECE	
CCOC(=O)N1CC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1	897418903	QLRDFYFDBYIHKE-JTQLQIEISA-N	350.396	2.273	10	10	FECE	
O=C(NCc1ccc(O)cc1O)C(F)(F)n1cc(-c2ccccc2)nn1	1142533801	RCKVKEBCCBPHRL-UHFFFAOYSA-N	360.320	2.222	10	10	FECE	
Cn1c(=O)oc2ccc(CNC(=O)c3ccc(N=NC(N)=O)cc3)cc21	1151030715	JIAKWGMTDXHVIY-UHFFFAOYSA-N	353.338	2.224	10	10	FECE	
CCCNC(=O)Cc1csc(NC(=O)/C=C\c2ccc(O)c(O)c2)n1	1152447095	AYSFVMCXPZRFBG-XQRVVYSFSA-N	361.423	2.275	10	10	FECE	
Nc1ccc(CCNC(=O)C(=O)NCC2(C(F)(F)F)CCCC2)cc1	1335249175	UQNMPAMVCZLAKI-UHFFFAOYSA-N	357.376	2.166	10	10	FECE	
COc1cccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)c1O	1465991837	GJBXARNVEWHZIC-UHFFFAOYSA-N	374.349	2.400	10	10	FECE	
CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NCCCSc2nccs2)C1	1542956175	MOFZFTFSIAXWKS-LLVKDONJSA-N	371.484	2.228	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CN1[C@@H](C)CC[C@H]1C	1546151980	NYDZAXCQEGCJMS-BETUJISGSA-N	368.861	2.420	10	10	FECE	
COc1ccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)c(O)c1	1617762756	MEFLMXUSZKXGRV-UHFFFAOYSA-N	374.349	2.400	10	10	FECE	
CC[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)N1CCO[C@H](CC)C1	1624954632	KEZBCCMKZFWPFJ-BMFZPTHFSA-N	350.459	2.034	10	10	FECE	
CN1C[C@@](C)(Cn2c(C3CCC3)nnc2N(C)Cc2ccccc2O)C1=O	1711273292	WOPXVPDKQXEOGM-FQEVSTJZSA-N	369.469	2.366	10	10	FECE	
O=C(Nc1ccc2nc(N3CCOCC3)oc2c1)c1c(F)ccc(O)c1O	1558951262	DSWNSFYWRGOLJF-UHFFFAOYSA-N	373.340	2.467	10	10	FECE	
COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1ccccc1O	2124030662	LOFGVYHUFPDDEN-IUODEOHRSA-N	368.430	2.383	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1)[C@@H]1CCOC1	2124514857	ZNOBXTQVZDJKQO-MJBXVCDLSA-N	367.450	2.465	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2ncnc(O)c2Br)cc1F	1583753192	SPMZKLMRXKPENT-UHFFFAOYSA-N	369.194	2.080	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@](F)(CNCc2cccc(O)c2O)C1	2126041403	YQMGRSDIUPLDOJ-GOSISDBHSA-N	370.421	2.163	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)CCN1C(=O)OC(C)(C)C	2132411210	SYRVAOCQSXJUHY-PWSUYJOCSA-N	366.414	2.321	10	10	FECE	
CO[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@@H]1NC(=O)OC(C)(C)C	2058769450	WLXDHRAHAPXVFV-UONOGXRCSA-N	350.419	2.025	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)NCCCCN=[N+]=[N-])C[C@H]2OCC[C@H]21	2060622354	YXPKYONZKCACNP-FRRDWIJNSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)NCC1(CN=[N+]=[N-])CC1)[C@H]1CCCO1	2060637935	QABGJRKWFXSDFU-VXGBXAGGSA-N	353.423	2.265	10	10	FECE	
Nc1ccc(CNS(=O)(=O)c2c(N)cccc2Br)cc1	2191638574	VDTDUTBMRFAAKY-UHFFFAOYSA-N	356.245	2.092	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@]1(C)C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2081167474	FDIGIYGBUSKUGY-BLLLJJGKSA-N	353.423	2.171	10	10	FECE	
C[C@@H]1CCN(CCCOc2ccc(N)cc2)C[C@H]1NC(=O)C(F)(F)F	2106676356	ZCNKNUIJJMHSLA-IUODEOHRSA-N	359.392	2.427	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)CCOc2ccc(N)cc2)C1	2106779775	RHBDFEYGBVZDEX-AWEZNQCLSA-N	363.458	2.411	10	10	FECE	
Oc1ccc(CNC[C@@H]2CC2(Br)Br)c(O)c1O	2213094269	JZUPCRWUFGSEME-ZETCQYMHSA-N	367.037	2.399	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)N2CC[C@@H](N=[N+]=[N-])C2)CO1	2253765375	HBIFQTFMSNDFHW-UPJWGTAASA-N	353.423	2.218	10	10	FECE	
O=C1NCCN(C(=O)C=Cc2ccc(O)c(O)c2)[C@H]1c1ccccc1Cl	2308444588	UFCCBYOWDPASEF-SFHVURJKSA-N	372.808	2.464	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@]2(C(=O)N3CCC[C@@H]3CN=[N+]=[N-])CO[C@H]1C2	2334184386	WJPHOVMYJRVIAD-ZOPJHEKZSA-N	365.434	2.360	10	10	FECE	
Cc1ccc(CN(C)S(=O)(=O)CC(F)F)c(O)c1Br	2352619486	FSSPVEGDXLXERV-UHFFFAOYSA-N	358.204	2.490	10	10	FECE	
C[C@@H](NC(=O)N1CCN(C2CC2)CC1)c1ccc(N2CCOCC2)cc1	105194090	MWLZBVDSJKELHJ-MRXNPFEDSA-N	358.486	2.074	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)c1	67594090	DPGLXFKFMWJZBR-ZFWWWQNUSA-N	364.398	2.189	10	10	FECE	
CCN1CCN(C[C@H](C)CN[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1	121103209	GIWOXTSUZXHXFJ-UXHICEINSA-N	374.573	2.447	10	10	FECE	
CCOc1ncnc(N2CCN(c3ccc(OC)cc3)CC2)c1[N+](=O)[O-]	40611243	LINAJFLMBNPCBG-UHFFFAOYSA-N	359.386	2.119	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)[C@H]1CCn2ccnc2C1	804735613	BBJHTLXRFPHQQL-JTQLQIEISA-N	350.216	2.230	10	10	FECE	
CCn1ccnc1CNC(=O)NCc1cccc(Br)c1O	298532745	VEWGQWLGHVLRMG-UHFFFAOYSA-N	353.220	2.371	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)c1cnc(O)c([N+](=O)[O-])c1	804736202	NCIHMJCNVCSJIB-UHFFFAOYSA-N	368.143	2.094	10	10	FECE	
Oc1c(Br)cccc1CN1CCC(N2CC[C@@H](O)C2)CC1	827699263	FWGSBFBYTPSYFP-CQSZACIVSA-N	355.276	2.186	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)N1Cc2ccccc2C1=O	907274995	UKFKCQVQLBRCAF-QWHCGFSZSA-N	354.406	2.190	10	10	FECE	
Cc1nc(C)c([C@H](C)N(C)Cc2cc(O)n3ncc(C(=O)O)c3n2)s1	738348313	HOMZPSSZOIVRKI-VIFPVBQESA-N	361.427	2.399	10	10	FECE	
C[C@H](NC(=O)N[C@@H]1CC[C@H](C(=O)O)C1)c1ccc(N2CCOCC2)cc1	831007434	HBVQUIVLMNDYRE-CWRNSKLLSA-N	361.442	2.137	10	10	FECE	
C[C@@]1(F)CNCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1	841706192	CVPDBDPDHBUOHA-GOSISDBHSA-N	366.506	2.083	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=N)NC[C@@H]3CCCO3)cc2F)C[C@@H](C)O1	849014543	SIUNADSOHUVGOD-FMKPAKJESA-N	364.465	2.232	10	10	FECE	
COCc1ccc([C@@H]2COCCN2C(=O)/C=C\c2ccc(O)c(O)c2)o1	928524516	YCMGRUFSFCJVHR-FTWHOSCRSA-N	359.378	2.451	10	10	FECE	
CN(C)c1cccc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)c1	755085860	SSCXWEOWEYLXMV-UHFFFAOYSA-N	363.468	2.410	10	10	FECE	
C[C@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCOCC1	755608738	NHMRESDLTOGXEZ-YJBOKZPZSA-N	373.497	2.067	10	10	FECE	
CCN(CC)c1ccc(CNS(=O)(=O)c2occc2C(=O)OC)cc1	866537665	IADZIFRJJBEETP-UHFFFAOYSA-N	366.439	2.391	10	10	FECE	
CC(C)(C)OC(=O)[C@@]1(NCc2ccc(N3CCOCC3)cc2)CCOC1	930992877	FFTKRHCMXBXCOO-HXUWFJFHSA-N	362.470	2.114	10	10	FECE	
CCOCCN1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1	896289283	QSRYWFAFVFTRAP-UHFFFAOYSA-N	350.440	2.107	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)NC1C[C@H]2[C@H](C1)C2(F)F	1350370669	DTOYBQDAPFJMEV-HOTGVXAUSA-N	351.397	2.366	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@@]2(C)C1	2118164678	RTJHWFUSUBJOEX-YJYMSZOUSA-N	362.426	2.427	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C2=C(C)N(C)c3nnnn3[C@@H]2C)cc1	1543179590	PGLXMKCPBJLFBQ-CQSZACIVSA-N	369.473	2.121	10	10	FECE	
CO[C@@H]1COC[C@@H]1NC(=O)NCCc1cc(C)n(-c2ccccc2)c1C	1635984851	BUGMIDTXTJZDTA-RBUKOAKNSA-N	357.454	2.350	10	10	FECE	
Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)cn1	2124535110	KSALZZRHBZMBCW-CHWSQXEVSA-N	363.422	2.287	10	10	FECE	
NC(=O)COc1cccc(CNC(=O)c2cc3cc(O)c(O)cc3s2)c1	1630274934	JYUDBVXICQSZIB-UHFFFAOYSA-N	372.402	2.107	10	10	FECE	
Cc1ccc(N2C[C@H](C(=O)NCCc3ccc(O)c(O)c3)CC2=O)cc1C	1566369596	MOOIQJIDRDHMHK-MRXNPFEDSA-N	368.433	2.426	10	10	FECE	
C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1O	1648889772	LBUFDEIHMCODIU-SNVBAGLBSA-N	364.379	2.195	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2CCCCN2C)N(C)C)cc1	1685545030	AEBXTOLZLHZYQG-RBUKOAKNSA-N	361.534	2.139	10	10	FECE	
O=C(O)c1cc(Br)cc(NC(=O)c2cc(O)nc(O)c2)c1	166515023	YXMJRBJFQHKHKA-UHFFFAOYSA-N	353.128	2.206	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1	2132418541	LDLFYEKYKDXHCP-NWDGAFQWSA-N	366.414	2.369	10	10	FECE	
Nc1ccc(CC(=O)N[C@@H]2CC[C@@H]2NC(=O)OCc2ccccc2)cc1	1977680348	PTGIWLSJRYZQDI-MSOLQXFVSA-N	353.422	2.385	10	10	FECE	
CN[C@@H](c1ccc2c(c1)CCN2C)c1cn(C)[nH]c1=NC(=O)OC(C)(C)C	2163129074	ZAENPELLAHTTLK-KRWDZBQOSA-N	371.485	2.490	10	10	FECE	
CC(C)N(CCNC(=O)COc1ccc(N)cc1)C(=O)OC(C)(C)C	2044205202	XFORXJOEOYMZMX-UHFFFAOYSA-N	351.447	2.409	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1NC(=O)c1ccn(-c2ccc(N)cc2)n1	2185072069	RSTXVEYZFYKLQP-GJZGRUSLSA-N	371.441	2.240	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(O)c(O)c2)[C@H](F)C1	2054399762	VQFLEAHQIYEUCB-VXGBXAGGSA-N	354.378	2.175	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)COc2ccc(N)cc2)C1(C)C	2106231941	ULLMQDFIPRQXEY-CABCVRRESA-N	363.458	2.456	10	10	FECE	
COC(=O)[C@@H](CCN[C@@H]1CCc2cccc(O)c21)NC(=O)OC(C)(C)C	2088542280	GRKUZSFBYZZFFI-ZIAGYGMSSA-N	364.442	2.426	10	10	FECE	
Nc1ccc(OCC(=O)N[C@H]2CCOC[C@H]2OCc2ccccc2)cc1	2090345143	OUNPVAIHSUZDQB-RBUKOAKNSA-N	356.422	2.138	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](NCc2ccc(O)c(O)c2O)C[C@@H](F)C1	2219139757	BFKMEXJNQVGTAK-NEPJUHHUSA-N	356.394	2.241	10	10	FECE	
CC(C)(C)OC(=O)NCC1(O)CN(c2ccc(OCC(F)F)cc2)C1	2219565245	NCTSYPFOYOYEBK-UHFFFAOYSA-N	358.385	2.406	10	10	FECE	
C[C@H]1O[C@]2(C(=O)N3CC[C@@H](CN=[N+]=[N-])C3)C[C@@]1(NC(=O)OC(C)(C)C)C2	2266071077	VBGHIJVUPLFMPF-CZAMWMTLSA-N	365.434	2.360	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@@]3(O)[C@H]4C[C@@H]3CN(C(=O)OC(C)(C)C)C4)ccc21	2286228716	PVKVUQLYWCGPGE-AWQBJMPUSA-N	373.497	2.297	10	10	FECE	
CNC(=O)c1cncc(C=CC(=O)N2CCCc3cccc(OC)c32)c1	2297520431	VSOBERACESYELW-UHFFFAOYSA-N	351.406	2.442	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@]2(NCc3c(O)cccc3F)CO[C@H]1C2	2312835528	AXPQAVHMNZJUTH-DHSIGJKJSA-N	352.406	2.446	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)OC1	2315992161	IAQCSUPYOGDEER-CHWSQXEVSA-N	355.439	2.465	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)C[C@H]1COCCN(C(=O)OC(C)(C)C)C1	2315988604	KJAYEQPYDWRHTQ-CYBMUJFWSA-N	355.439	2.419	10	10	FECE	
C[C@@H]1N(C(=O)OC(C)(C)C)C[C@]1(C(=O)O)N(C)Cc1ccccc1O	2323714748	MTBHCBUSJJLRIU-SGTLLEGYSA-N	350.415	2.287	10	10	FECE	
COC[C@]1(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C=CCN1C(=O)OC(C)(C)C	2336343160	PJIXKKKKADUVBL-GUYCJALGSA-N	365.434	2.337	10	10	FECE	
Cc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)c2cnn(C)c2n1	177913607	VARMLIQKOVFJMM-UHFFFAOYSA-N	351.410	2.382	10	10	FECE	
COc1ccc(N2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])CC2)cc1	183574134	CBMULARYXUUNIF-UHFFFAOYSA-N	357.370	2.353	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3CC[C@H](OC)C3)CC2)cc1F	188007854	MTQWZYUTIIVKKU-HIFRSBDPSA-N	351.422	2.233	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3CCCn4ccnc43)CC2)cc1F	84815680	BIQQUSHKGLFAQO-HNNXBMFYSA-N	358.417	2.257	10	10	FECE	
CCOc1ccc(O)c(CN2C[C@@H](C(=O)NCCOC)CC[C@H]2C)c1	271115789	BOVLQJNXONOCGB-CABCVRRESA-N	350.459	2.154	10	10	FECE	
CN(Cc1cc(Cl)c(F)cc1O)C1CCN(S(C)(=O)=O)CC1	294477427	ZSZDEWMWXOQHOE-UHFFFAOYSA-N	350.843	2.041	10	10	FECE	
CC(C)(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)n1cccn1	829264157	OJOKDJLKYLVKMK-UHFFFAOYSA-N	360.433	2.035	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@H](C)[C@@H]3CCCO3)cc2F)CC1	906601819	KESFPMRCLRDJDZ-BEFAXECRSA-N	363.477	2.399	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1c(C(=O)O)cnn1C	901711157	PJZFNGFIJAZMAF-UHFFFAOYSA-N	356.426	2.381	10	10	FECE	
CCOCCN1CCN(Cc2c(O)c(C(=O)OC)cc3ccccc23)CC1	732180377	ICAJVHLDXNSMIW-UHFFFAOYSA-N	372.465	2.486	10	10	FECE	
CN(C)c1ccc(CNCc2c(I)cnn2C)cc1	865868626	SLRGKSLRWZTNQM-UHFFFAOYSA-N	370.238	2.381	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3cc(OC)cnc3F)C2)cc1	847089325	WPKLRHDTEKULJK-CYBMUJFWSA-N	359.401	2.494	10	10	FECE	
Cc1cncc(CCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)n1	849365524	UTKHZPMQALPRRT-UHFFFAOYSA-N	360.801	2.151	10	10	FECE	
COc1ccc(N2CCC(NC(=O)c3cn(C4CCC4)nn3)CC2)cc1	843542970	WDUCDNPKCILOCG-UHFFFAOYSA-N	355.442	2.411	10	10	FECE	
C[C@H](N[C@@H]1CCc2nnn(C)c2C1)c1cc(Br)ccc1O	927147975	VNAUJDXMJDSLMW-GXSJLCMTSA-N	351.248	2.491	10	10	FECE	
CC(C)[C@@H]1COCC[C@H]1NCc1ccc(N2CCS(=O)(=O)CC2)cc1	925055136	LCPWFZXBLYWUCD-RBUKOAKNSA-N	366.527	2.072	10	10	FECE	
CC(=O)NCc1ccc(CNCc2ccc(N3CCOCC3)cc2)cc1	850341472	AZUMCAXWZLNBFD-UHFFFAOYSA-N	353.466	2.449	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cn(-c4ccccc4)nn3)C2)cc1	855233569	ZYIYQDDHPUAXJF-OAHLLOKOSA-N	363.421	2.285	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)c3cn(C)nc3C)C2)cc1	852051077	GSFUDBRRNNAEAG-HIFRSBDPSA-N	357.458	2.376	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3ccc(Cl)nc3)C2)cc1	850536982	LLUCCVZHWKFRNW-ZDUSSCGKSA-N	374.828	2.077	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCO[C@@](C)(C(F)F)C1	852784168	FECUNQDZZKZHDW-GOSISDBHSA-N	355.429	2.067	10	10	FECE	
c1cc(N2CCOCC2)ccc1CN1CCC(N2CCCOCC2)CC1	931283450	BWHRROFRCRJHNF-UHFFFAOYSA-N	359.514	2.210	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]([C@H](F)C(=O)NCc2ccc(O)c(O)c2)C1	860243225	HEJGTAJLGWHFBX-DOMZBBRYSA-N	368.405	2.309	10	10	FECE	
CN(C)c1ccc(CN(C(=O)NCc2cc(C(N)=O)co2)C2CC2)cc1	779671403	XPAARKZOPFSCLE-UHFFFAOYSA-N	356.426	2.319	10	10	FECE	
COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1cc(Cl)cc(F)c1O	775740997	XLYDLHHHQRVCDX-AAVRWANBSA-N	371.792	2.110	10	10	FECE	
O=C(N[C@@]1(C(=O)NCc2ccccc2O)CCOC1)OCc1ccccc1	780983848	HEEXCRBAXRNMSO-FQEVSTJZSA-N	370.405	2.094	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CC(CNC(=O)C(F)(F)F)C1	899187792	WKRSLTIYOHXVTF-UHFFFAOYSA-N	374.340	2.063	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC[C@H]1CCCO1	786594931	BDWNXKGRJUCRLU-GOSISDBHSA-N	361.486	2.175	10	10	FECE	
O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCCN(Cc2cc(F)cc(F)c2O)C1	895472607	DQDRSRPONHRZSU-WQVCFCJDSA-N	368.424	2.302	10	10	FECE	
CO[C@@H]1CCC[C@@H]1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1312386741	GEVPDKKPIRRCMR-BHIYHBOVSA-N	362.518	2.470	10	10	FECE	
Cc1nc([C@@H](C)NC(=O)NCc2cc(Br)ccc2O)no1	1346278771	XBZSAYDMFISJCV-SSDOTTSWSA-N	355.192	2.407	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CCCN1C(C)C	1446816770	QRJMIZCXMQHVJB-HNNXBMFYSA-N	368.861	2.420	10	10	FECE	
CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(N=NC(N)=O)cc1	1440742756	APBTVXICZMXJHI-ZWNOBZJWSA-N	363.443	2.279	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)cc1	1294554472	DYIBFEPLQZBCSR-JKSUJKDBSA-N	359.430	2.222	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)c1cc(S(N)(=O)=O)c(Cl)o1	1294681934	ZYDDFROLZZUULE-UHFFFAOYSA-N	372.830	2.338	10	10	FECE	
CN(C)CC1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1	1465952276	ZGYZPERKVWLWKT-MRXNPFEDSA-N	365.905	2.468	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H](CO)Cc1ccncc1Cl	1618611924	FZEIXHRVNYMSQL-LSYFEZSPSA-N	362.813	2.127	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@H]1Cc2cc(Br)ccc2O1	1635848098	ZYBPHEJTJOHESO-OAHLLOKOSA-N	364.195	2.480	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1c[nH]nc1-c1ccc2c(c1)OCO2	1645363122	NDBOXJWAPSXMPK-UHFFFAOYSA-N	353.334	2.147	10	10	FECE	
CN1CCCc2cc(CN[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)ccc21	2126240467	PZOLPTFATRNNHB-AEFFLSMTSA-N	361.486	2.139	10	10	FECE	
COC[C@@H](C)N[C@@H]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1	1691955276	OHSNQIIUKMDVTM-DVOMOZLQSA-N	361.446	2.372	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3nonc3OCC=C(C)C)CC2)cc1	1872673711	JRKKNGWFNZILKN-UHFFFAOYSA-N	372.425	2.386	10	10	FECE	
CN1CCc2cc([C@H](N)[C@@H](O)[C@H]3CCCN3C(=O)OC(C)(C)C)ccc21	1892332250	NYTULLNDCJGEHU-SQNIBIBYSA-N	361.486	2.439	10	10	FECE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)O[C@@H]1CCS(=O)(=O)C1	1889895151	QWVLOSVRDRZSSV-BHYGNILZSA-N	364.467	2.089	10	10	FECE	
CN(CCCF)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136258837	MUCMTYRPSNSFNR-ZDUSSCGKSA-N	370.421	2.352	10	10	FECE	
CN[C@H](c1ccccc1O)[C@@H]1[C@H](OC)[C@H](OC)CN1C(=O)OC(C)(C)C	2140528692	WCEIQMRDEJODJB-QBPKDAKJSA-N	366.458	2.302	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)OC1CCNCC1	1951476950	PBLQWAAJTOXJLC-INIZCTEOSA-N	352.431	2.260	10	10	FECE	
O=C(N[C@@H](CC1(c2cc(O)nc(O)c2)CC1)C(=O)O)OCc1ccccc1	1952638023	JHWWMRDWGVYDIJ-AWEZNQCLSA-N	372.377	2.294	10	10	FECE	
Cc1ccc(O)c(CNC[C@@H]2C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)c1	2052657486	AIOLDTZEFXHVLN-QRTARXTBSA-N	350.459	2.454	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060612116	CJNUYXQGQQIJLF-YNEHKIRRSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](C(=O)NCCCN=[N+]=[N-])C[C@@H]21	2079201313	NNMOLFHNNQLWJU-RWMBFGLXSA-N	353.423	2.218	10	10	FECE	
COCCN(C(=O)Nc1ccc(N)cc1)C1CN(C(=O)OC(C)(C)C)C1	2106701826	VSMKLWJGGDUBAY-UHFFFAOYSA-N	364.446	2.368	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CNC[C@H]1C[C@@H](O)CCO1	2097944756	GNFFAIONUWHPDE-WDEREUQCSA-N	350.640	2.438	10	10	FECE	
Cc1cccc(CNC(=O)c2c(CNC(=O)OC(C)(C)C)cnn2C)c1O	2204604754	IIVSXLAEMSDMTC-UHFFFAOYSA-N	374.441	2.389	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](CNc2ccc(N)cc2)[C@H]1OC	2253666615	HMFAVALCFYEWPL-BZUAXINKSA-N	351.447	2.330	10	10	FECE	
CN(C)c1ccc(O[C@@](CF)(CNC(=O)OC(C)(C)C)C(=O)O)cc1	2253983526	AKGMHANIVPOGEZ-KRWDZBQOSA-N	356.394	2.449	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1[C@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)C2	2263372502	DESMHCPJKGADKZ-LXFSFDBISA-N	350.459	2.430	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(O)c(O)c2)C(F)(F)C1	2264435757	BKJIHTXBHRJEHJ-CYBMUJFWSA-N	372.368	2.472	10	10	FECE	
O=C1N=C(N2CCOCC2)SC1=Cc1cc(Br)ccc1O	2293789261	FRFURELFSGGJTG-UHFFFAOYSA-N	369.240	2.457	10	10	FECE	
O=C(O)C[C@H](C(=O)O)N1C(=O)C(=Cc2ccccc2Cl)SC1=S	2296883008	IZCZHZNSDOWIGX-SECBINFHSA-N	371.823	2.469	10	10	FECE	
CC(C)(C)OC(=O)NCC1(C(=O)N2CCc3cc(O)c(O)cc3C2)CC1	2341200580	GFYIMRWHRVHXJZ-UHFFFAOYSA-N	362.426	2.287	10	10	FECE	
Cc1cc(O)c(CNCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc1C	174330545	LYTOOIXRIRWXJW-HXUWFJFHSA-N	353.422	2.353	10	10	FECE	
COc1ccc(Cl)cc1NC(=O)C(=O)N(C(C)=O)c1ccc(N)cc1	170318092	YHOVIOJUHXIMFY-UHFFFAOYSA-N	361.785	2.449	10	10	FECE	
O=C1/C(=C\C=C/c2ccccc2)SC(=S)N1CCS(=O)(=O)O	33387813	WNPZOZGDQWKCNS-OTIJGBKASA-N	355.462	2.332	10	10	FECE	
C[C@@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccncc1	181599573	NQSVOTPXKLZDDE-OAHLLOKOSA-N	372.444	2.024	10	10	FECE	
CC[C@@H](COC)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	93984708	RCNSZJJTKFGPGU-IBGZPJMESA-N	374.529	2.443	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1	270572425	ZPZNJVDKBPAWNE-KGLIPLIRSA-N	364.442	2.450	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CNC(=O)c2ccccc21	625916312	QKEBQIKSIKZAKI-INIZCTEOSA-N	351.406	2.005	10	10	FECE	
Cc1nc([C@@H]2COCCN2Cc2cc(Cl)cc([N+](=O)[O-])c2O)no1	378530470	GGSUTCLXJGWSEZ-LBPRGKRZSA-N	354.750	2.219	10	10	FECE	
COCCO[C@@H]1CCCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1	800872161	QRQPHCPNWWAOHG-DDJMYBDESA-N	364.398	2.413	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCC[C@@]2(CCOC2)C1	823523317	CYUMXALNACOCME-OAQYLSRUSA-N	373.497	2.360	10	10	FECE	
Cn1cnc(CCNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	838740978	CWZDJPYUWJXRCC-QGZVFWFLSA-N	358.442	2.059	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2C[C@H](C)OC2=O)C1	839779062	QSCFVWXYTMZBQF-WMLDXEAASA-N	369.465	2.228	10	10	FECE	
C[C@H](NC(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21)c1ccc(N(C)C)cc1	836405575	IBBCWTVYEIMHPA-IAOVAPTHSA-N	365.499	2.175	10	10	FECE	
Cc1cc(C(=O)N[C@H](CO)c2ccnn2C)c(C)n1-c1ccc(F)cc1	838058922	IKSHDBJDFSVWSA-QGZVFWFLSA-N	356.401	2.430	10	10	FECE	
COc1cccc([C@@H](C)N[C@@H](CC(C)C)C(=O)NCCN(C)C)c1O	846160582	RIZUQHLDOXZMGP-ZBFHGGJFSA-N	351.491	2.144	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3C[C@@H]4C[C@H]3C[S@@]4=O)c2C)cc1	846561409	SVNNPXNNQZLLQY-RTNKVPBISA-N	358.463	2.448	10	10	FECE	
COc1ccc(N2CC[C@@H](N3C(=O)[C@H](c4cccnc4)N(C)C3=O)C2)cc1	924977536	IIQAPZIWZPDDAA-AEFFLSMTSA-N	366.421	2.304	10	10	FECE	
CC1(C)CCC[C@H](CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)O1	929526234	KRNSYUHQSZMLTN-GOSISDBHSA-N	373.497	2.367	10	10	FECE	
C[C@H](NC[C@@H]1COCCN1C)c1ccc(N2CCOCC2)cc1Cl	858520094	CZHBFHFOPMBHAH-GOEBONIOSA-N	353.894	2.158	10	10	FECE	
COC[C@]1(C)CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CCO1	858865845	RSQVDCHSXMYEGH-UABRLCRWSA-N	350.371	2.023	10	10	FECE	
COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCN(c3ccc(OC)cc3)C2)n1	853761316	RYLWVASBEWXTTK-GFCCVEGCSA-N	372.381	2.476	10	10	FECE	
CCN(CC)c1ccc(CN(C)S(=O)(=O)N=[S@@](C)(=O)CC)cc1	866452670	LYPYXOMOFNZASW-QFIPXVFZSA-N	361.533	2.327	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N[C@@H]3[C@H]4C[C@@H]5CO[C@@H]3[C@H]5C4)CC2)cc1	868902116	BTNWJJCRJGTCPO-LSZNHHPASA-N	371.481	2.387	10	10	FECE	
CC(C)[C@@H](C)NC(=O)C1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1	768445267	REYPJGSHOCDLFV-ACJLOTCBSA-N	362.470	2.191	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H]1CCC2(CCC2)O1	1119515050	NUPFUBFHIFVOBD-GOSISDBHSA-N	373.497	2.319	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C[C@@H](O)C1(C)C	1879108106	ZDYCSNGSEMHDQL-JKDFXYPNSA-N	367.450	2.200	10	10	FECE	
COC(=O)c1cnc([C@H](C)NC(=O)NCc2c(O)cccc2F)s1	1312897190	SBNPAHLWFWYUOC-QMMMGPOBSA-N	353.375	2.335	10	10	FECE	
O=S1(=O)[C@H]2CC[C@H]1CC(NCc1cccc(Br)c1O)C2	724321158	WGQYJRNAGGHMFL-RYUDHWBXSA-N	360.273	2.353	10	10	FECE	
Cc1cc(C(=O)NCc2cc(Cl)ccc2O)cc(S(N)(=O)=O)c1C	1452945410	LZMWBMYSTODXHP-UHFFFAOYSA-N	368.842	2.240	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCCN3CC[C@@H](C)C3)CC2)cc1F	1479477483	SXVWFPBZMXWSFH-OAHLLOKOSA-N	364.465	2.008	10	10	FECE	
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1ccc(O)c(O)c1	1637926230	RAMSOVPVCQTVHO-MRXNPFEDSA-N	368.389	2.022	10	10	FECE	
COc1cc(C)c([S@@](C)=O)cc1OC(=O)Cc1ccc(O)c(O)c1	1630461644	FJPIERYXPILQAR-XMMPIXPASA-N	350.392	2.300	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)NCCc2ccnc(OC)c2)cc1	1637505522	XYYBMRZKMMHTJK-UHFFFAOYSA-N	372.469	2.419	10	10	FECE	
[N-]=[N+]=NC[C@H]1CCCN([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2O)C1	1912177112	GYJZWBXIZMXXKK-BRWVUGGUSA-N	359.430	2.391	10	10	FECE	
O=C(Cn1cn[nH]c1=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12	156429344	RXIDVTSLDCYAMK-FQEVSTJZSA-N	374.400	2.336	10	10	FECE	
O=C(N[C@]1(c2c(O)cc(O)cc2O)C[C@H]1C(=O)O)OCc1ccccc1	1952773981	CBDQHXVYVBLSEF-KPZWWZAWSA-N	359.334	2.030	10	10	FECE	
COc1cc([C@@]2(C(=O)O)C[C@@H]2NC(=O)OCc2ccccc2)cc(O)c1O	1952828503	BJLDFEJTYPVJBK-KXBFYZLASA-N	373.361	2.128	10	10	FECE	
C[C@H](O)c1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)cc1Br	2148781058	DOSCCHRXTQLVAL-QWRGUYRKSA-N	362.289	2.373	10	10	FECE	
CN(CC[S@](C)(=O)=NCc1cc(N)ccc1O)C(=O)OC(C)(C)C	1999475867	ULGARAHULWTBLB-DEOSSOPVSA-N	357.476	2.439	10	10	FECE	
CN[C@@H](C)c1ccc(N2CCS(=O)(=O)[C@@H](C)C2)cc1Br	707162099	FTCIYSRUUSEYKL-QWRGUYRKSA-N	361.305	2.353	10	10	FECE	
COC(C)(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2060614065	YAYYSLHWYRFNKW-VXGBXAGGSA-N	355.439	2.464	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2COCC[C@]2(C(=O)NCCCN=[N+]=[N-])C1	2060616872	GOUVQSJYTQJFMG-LRDDRELGSA-N	353.423	2.077	10	10	FECE	
C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1c1cc2c(cc1N)OCCO2	2106712505	PKYOPUOMRCWBET-ZJUUUORDSA-N	359.348	2.076	10	10	FECE	
CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)COc1ccc(N)cc1	2106725092	JGVZHTMLMLTDMP-CQSZACIVSA-N	363.458	2.363	10	10	FECE	
CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)c1ccc2c(c1)CCCN2C	2271676217	AKLBDKLICAFHNO-UHFFFAOYSA-N	361.486	2.487	10	10	FECE	
CN1CCc2cc([C@@H](O)[C@@]3(C(=O)O)C=CCN3C(=O)OC(C)(C)C)ccc21	2237168411	IIZSMAOSKAITSH-OXQOHEQNSA-N	374.437	2.343	10	10	FECE	
COc1ccc(N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O)cc1OC	2257630304	HCZBLLLKUBEKBG-CYBMUJFWSA-N	354.447	2.416	10	10	FECE	
CN(Cc1ccccc1O)C(=O)CN(C(=O)OC(C)(C)C)[C@H]1CCOC1	2272575531	VIFPJBPVXADWQJ-HNNXBMFYSA-N	364.442	2.377	10	10	FECE	
Cc1ccc(C=C2SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)cc1	2293039605	SBQDEPSIAOXZNK-SNVBAGLBSA-N	351.405	2.124	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1CCC[C@@H](NC(=O)C(F)(F)F)CC1	2286103001	CSIIPPPCFXCBNI-DGCLKSJQSA-N	372.391	2.129	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)C=Cc3ccco3)cc2)CC1	2311102433	QONNYHCHIOFGPS-UHFFFAOYSA-N	353.422	2.278	10	10	FECE	
CCCNS(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	62370890	JFHCNXWVYYZOKU-SFHVURJKSA-N	368.547	2.114	10	10	FECE	
Cc1occc1C(=O)NC1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	181024988	IMBRZLNZGGNUFC-HWKANZROSA-N	370.405	2.433	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C	2130968910	FFYJXIUHDWWJTC-KCXAZCMYSA-N	360.458	2.289	10	10	FECE	
CC(C)[C@@H](CN[C@H](C)c1ccc(N2CCOCC2)cc1)N1CCN(C)CC1	132388603	SDLBVSWXUROWKK-DENIHFKCSA-N	374.573	2.446	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c1	255134374	TVYHLLRTALKLJX-DAXSKMNVSA-N	366.377	2.342	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CC[C@@](O)(C(F)(F)F)C2)c([N+](=O)[O-])c1	266054857	XZADMOPBMWRMLQ-KQIUPUNMSA-N	360.288	2.285	10	10	FECE	
Cc1ccc(CNC(=O)C[C@@](C)(N)C(F)F)c(O)c1Br	2381129875	QNUAHZNKCYMZTC-CYBMUJFWSA-N	351.191	2.452	10	10	FECE	
CC(C)(C)N1C[C@@H](C(=O)NCc2cc(Br)ccc2O)CC1=O	804736459	TZAGAJHDOOXLMC-NSHDSACASA-N	369.259	2.418	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)/C=C\c3cnccn3)cc2F)CC1	730195058	ZKSHPGHPMHQKPB-XQRVVYSFSA-N	369.444	2.087	10	10	FECE	
COC(=O)[C@H]1[C@H](O)CCCN1C(=O)Cc1cc(C)n(-c2ccccc2)c1C	832637955	AOLGVLSKXURABI-UYAOXDASSA-N	370.449	2.162	10	10	FECE	
CN1CCCc2cc(CNC(=O)c3ccc4nc(CO)[nH]c4c3)ccc21	900432491	CYTJNCQNYGTUMC-UHFFFAOYSA-N	350.422	2.368	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H](C)c3nccn3C)CC2)cc1F	852688212	FYCSKPLHNVYISX-CYBMUJFWSA-N	361.421	2.161	10	10	FECE	
Cc1cc(C(=O)CN2CCN3CCOC[C@H]3C2)c(C)n1-c1ccccc1	755214239	XNAZSHNRZJBGJK-LJQANCHMSA-N	353.466	2.293	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC3CCC(N(C)C)CC3)C2)cc1	852386654	JAUUTGMQUUOOQO-AQFXKWCLSA-N	360.502	2.446	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N[C@H]3C[C@H](O)C34CCC4)CC2)cc1	853644026	ZWXXRQWNXKPSMW-ROUUACIJSA-N	359.470	2.267	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccnn3CC(F)(F)F)C2)cc1	855227524	XHLXNXNHWBTBHC-GFCCVEGCSA-N	368.359	2.463	10	10	FECE	
CN1Cc2ccccc2[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)C1=O	857845676	QKWZHYKYVSMYQH-GOSISDBHSA-N	352.438	2.265	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@]1(C)Br	862039881	SGYFGVZLWAUKGF-LRDDRELGSA-N	370.243	2.457	10	10	FECE	
COc1ccc(N2CCN(CCNCc3cc(OC)cnc3F)CC2)cc1	876980747	NLSGFRVAKNDWCQ-UHFFFAOYSA-N	374.460	2.150	10	10	FECE	
CO[C@@H](C)CNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	785891395	ZNHSVLJUVIEROF-INIZCTEOSA-N	360.502	2.053	10	10	FECE	
N=C(O)OC[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(O)c(O)c1	1142251940	OYCZUNRHVSXVQB-HEWZJLJBSA-N	356.378	2.348	10	10	FECE	
COc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(N)c1F	1153443743	PFNXTOAFBBRHQL-UHFFFAOYSA-N	372.444	2.098	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)N3CCOC[C@H]3CO)c2C)c1	1313132765	QBLLDIAILFMYOO-LJQANCHMSA-N	357.454	2.305	10	10	FECE	
CO[C@H]1C[C@H](C(=O)O)N(Cc2cc(Cl)cc(Br)c2O)C1	1964721760	XQQVVBGYUXAFIN-GXSJLCMTSA-N	364.623	2.482	10	10	FECE	
Cc1cccc(N2N=C(C(=O)NCc3cc(O)ccc3O)CCC2=O)c1	1176748454	SPHDDFFYGKFINO-UHFFFAOYSA-N	353.378	2.205	10	10	FECE	
COC(=O)[C@H](CC(C)C)N1CCN(c2ccc(OC)cc2OC)CC1	1175522693	KWVSNMWMXKLAFH-KRWDZBQOSA-N	350.459	2.414	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C2CCOCC2)nn1C	1348628248	CPMOPEJVGPPFKZ-UHFFFAOYSA-N	364.442	2.435	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)NC3([C@@H]4CCCO4)CCC3)cc2)CC1	1347847342	ZNELFIVPGDRICL-IBGZPJMESA-N	372.513	2.339	10	10	FECE	
Cc1cccc(N2CCN(CCC(=O)NCc3cccc(O)c3O)CC2)c1	1347233973	LDYQPGNOODXUKL-UHFFFAOYSA-N	369.465	2.235	10	10	FECE	
O=C(C[S@](=O)c1ccc(Cl)cc1)NCCc1ccc(O)c(O)c1	1622753388	UGFXYRQBKAFPFZ-QHCPKHFHSA-N	353.827	2.218	10	10	FECE	
CCOCc1nnc(N(C)CC)n1Cc1ccc(N2CCOCC2)cc1	1710643612	HSRWNHWESKFLBO-UHFFFAOYSA-N	359.474	2.156	10	10	FECE	
Cc1nn(-c2cccnc2)nc1C(=O)NCc1ccc2cccnc2c1O	1630531754	BYVQPNDSMKNJHM-UHFFFAOYSA-N	360.377	2.155	10	10	FECE	
O=C(Cc1ccccc1S(=O)(=O)C(F)F)N1Cc2cccc(O)c2C1	1558036224	XECISSDWWOTRPU-UHFFFAOYSA-N	367.373	2.473	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NC[C@H](CO)Cc1cc(F)c(F)c(F)c1	1634297407	KCNULMIGCTYXHU-GFCCVEGCSA-N	369.339	2.025	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2124539503	WHUADKLKQYDIAM-UONOGXRCSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](OC(=O)NCCc2ccc(O)c(O)c2)C1	2124208931	CLIBLVUKEBPGDB-ZDUSSCGKSA-N	366.414	2.376	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@]1(C)COC[C@H]1NC(=O)OC(C)(C)C	2124376993	OUBMUXDGVRXEIB-BEFAXECRSA-N	364.442	2.280	10	10	FECE	
Cc1cccc(CS(=O)(=O)CCC(=O)NCc2cc(O)ccc2O)c1	1644754038	OQPOMKHSBWJHPQ-UHFFFAOYSA-N	363.435	2.028	10	10	FECE	
CCC(=O)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1874179666	KDCGXIJBJPFLFR-NSHDSACASA-N	350.374	2.315	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNC(=O)Cc3ccc(N)cc3)[C@@H]2C1	2138811150	XLXWRTSLTROAHY-BRWVUGGUSA-N	359.470	2.431	10	10	FECE	
CCOC(=O)[C@H]1CCN[C@H]1c1cc(I)ccc1O	1952826195	VNOXHLLCCLMEFD-JOYOIKCWSA-N	361.179	2.211	10	10	FECE	
O=C(N[C@H]1[C@H]2C[C@H]1N(C(=O)c1cccc(O)c1O)C2)OCc1ccccc1	846429779	QNAZTOPEWRBGSV-LXZKKBNFSA-N	368.389	2.237	10	10	FECE	
CN(CCOCCNC(=O)Nc1ccc(N)cc1)C(=O)OC(C)(C)C	2044250647	SXKUJABSFHRXLJ-UHFFFAOYSA-N	352.435	2.274	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CCC2)C[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1	2049781649	XHWAKGXRORCBDH-IHRRRGAJSA-N	350.459	2.432	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]1CC(=O)NCCc1ccc(O)c(O)c1	2059945181	FUKXWTIQVPNVLD-CYBMUJFWSA-N	350.415	2.156	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]1(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CCCO1	2060636054	STKNCMLCQNOEEM-MLGOLLRUSA-N	353.423	2.219	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(C)OC[C@@H]1C(=O)N1CC[C@H](N=[N+]=[N-])C1	2060612248	DMVYMEVRAYLVMV-NWDGAFQWSA-N	353.423	2.312	10	10	FECE	
CN[C@@H](c1ccccc1O)[C@@]1(COC)CN(C(=O)OC(C)(C)C)CCO1	2090047584	LXAQYQKXQHREGB-LPHOPBHVSA-N	366.458	2.305	10	10	FECE	
COCCOCCN(CC(=O)Nc1ccc(N)cc1)Cc1ccccc1	2095879574	OVWWPWNPLNDJJR-UHFFFAOYSA-N	357.454	2.373	10	10	FECE	
CCCCN1C(=O)NC(=O)C(=Cc2cnc(-c3ccccc3)nc2)C1=O	2297592798	DLNXBAZNHDPGBV-UHFFFAOYSA-N	350.378	2.406	10	10	FECE	
COCCN1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C[C@@H]1C	117287419	DLWWZINFJVSAMK-INIZCTEOSA-N	356.470	2.282	10	10	FECE	
CCCn1cnnc1COC(=O)/C=C\c1ccc(N2CCOCC2)cc1	255429614	GFUAYYJSGWSOOZ-YVMONPNESA-N	356.426	2.281	10	10	FECE	
O=c1c(NCc2ccc(N3CCC(CO)CC3)cc2)nccn1C(F)F	288218402	VFXKAFGSAYZQCW-UHFFFAOYSA-N	364.396	2.459	10	10	FECE	
CC(=O)C(=O)COC(=O)Cn1c(COc2ccccc2)nc2ccccc21	808485746	XZEGFAHTIYNKMN-UHFFFAOYSA-N	366.373	2.317	10	10	FECE	
CCOC(=O)C1([S@](C)=O)CCN(Cc2cc(OCC)ccc2O)CC1	294666605	ANIAYZAEKPXUAX-VWLOTQADSA-N	369.483	2.067	10	10	FECE	
COC1CCN(c2ccc(CN3CCC[C@@H](c4nc(=O)[nH][nH]4)C3)cc2)CC1	295220101	QWCCKXVEAARCNT-MRXNPFEDSA-N	371.485	2.093	10	10	FECE	
CN1CCc2cc(N3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CO)C3)ccc21	2226801335	BZMFGKICLHGLJC-NVXWUHKLSA-N	361.486	2.391	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C\[C@@H]1CCCO1	819463572	TXSROTFLFNFZMC-VSKVDJIOSA-N	353.802	2.282	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2cccn(CC(F)(F)F)c2=O)cc1	905318096	MDTZHLYLOBKKFB-UHFFFAOYSA-N	353.344	2.407	10	10	FECE	
COc1ccc(N2CCN(C(=O)COC(=O)/C=C\C(C)(C)C)CC2)cc1	732402123	KTDNTOJKUXQGAJ-KTKRTIGZSA-N	360.454	2.489	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)c3cnc(C)s3)C2)cc1	849415517	BBSXVYNMRVNLNW-LBPRGKRZSA-N	353.469	2.017	10	10	FECE	
C[C@@H]1CN(c2ccc(CNS(=O)(=O)CC3(F)CC3)cc2F)C[C@@H](C)O1	913943827	XQILGAREIIPFQT-CHWSQXEVSA-N	374.453	2.361	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CCC[C@H](C(N)=O)C1	840305957	NOILYLUSBWKOGC-XIRDDKMYSA-N	360.502	2.335	10	10	FECE	
Cc1cc(CNC(=O)NCC[C@@H]2CNC(=O)C2)c(C)n1-c1ccccc1	923457166	FYRMBLSCPYFFGK-INIZCTEOSA-N	354.454	2.420	10	10	FECE	
COc1ccc(N2CCN(CCCN[C@@H]3C[C@H]4CC[C@@H](N4)[C@@H]3C)CC2)cc1	925518852	KZNJJPJBTJKYGV-XHIHJMKYSA-N	372.557	2.326	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H]3CCN3C(C)(C)C)C2)cc1	852414584	RFWCZFGKJOGYAE-WBVHZDCISA-N	360.502	2.446	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cc(C)nc4cc(C)nn34)C2)cc1	853817728	LNFHMGXTOFVEGI-HNNXBMFYSA-N	365.437	2.363	10	10	FECE	
COc1cccc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)n1	761181382	VXTPIMYHATVIHG-UHFFFAOYSA-N	361.785	2.414	10	10	FECE	
COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(O)cc1C(C)=O	766048781	WDVNXNPYSHWBCO-UHFFFAOYSA-N	367.379	2.392	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N(C)CC2CN(C)C2)cc1	862186501	YSCBIBDGTZCVGZ-UHFFFAOYSA-N	353.466	2.469	10	10	FECE	
COc1ccc(N2CC[C@H](N3C(=O)[C@H]4c5ccoc5CCN4C3=O)C2)cc1	863513015	WUGUPSOKSXDUFG-KBXCAEBGSA-N	367.405	2.429	10	10	FECE	
O[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1Oc1ccccc1	877665526	AJBYFDMPRGYGTA-NHCUHLMSSA-N	354.450	2.147	10	10	FECE	
C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1Cc2cccc(O)c2C1	871203920	VIIDWWZYEWCZAA-GFCCVEGCSA-N	363.410	2.484	10	10	FECE	
Cc1cc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[nH]2)c(C)n1-c1ccccn1	773385130	FMLTWJILDUJYLU-HNNXBMFYSA-N	365.441	2.008	10	10	FECE	
C[C@H](O)[C@H]1CN(Cc2cc(Cl)cc(Br)c2O)CCO1	895015174	DLJROXCRGVXMDS-QPUJVOFHSA-N	350.640	2.390	10	10	FECE	
C[C@@H]1[C@H](NCc2cc3c(cc2O)OCO3)CC(=O)N1Cc1ccccc1	798505707	USIOIUZPQOTSFX-CZUORRHYSA-N	354.406	2.400	10	10	FECE	
O=C(Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)c1cc(O)cs1	1136866984	XKWJRKOXHSUTHR-UHFFFAOYSA-N	356.400	2.286	10	10	FECE	
O=C(O)[C@H]1COCCN(Cc2cc(Cl)cc(Br)c2O)C1	708117686	ZVLLKTQPEZCYNZ-SECBINFHSA-N	364.623	2.341	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCN(C3CCC3)C2=O)cc1	1331272616	QXQFLPIDRIOPRW-GOSISDBHSA-N	358.486	2.485	10	10	FECE	
COc1cccc(O)c1CNC[C@@H]1C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1	2116201578	COOVHWNOJYIXCZ-BJJXKVORSA-N	366.458	2.155	10	10	FECE	
CN(CC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)CC(C)(C)C	1299099736	LFWKIVOWDCUQBS-UHFFFAOYSA-N	369.456	2.396	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)CC1(F)F	2118183289	BNSQTSBQTHODBK-ZDUSSCGKSA-N	372.368	2.472	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(O)ncc1Br	1466791007	OMBVYWNJDHVFIN-MRVPVSSYSA-N	367.199	2.322	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](NC(=O)Nc3ccc(N)cc3)[C@H]2C1	2121653973	OFVOWDZKEQDSOQ-ILXRZTDVSA-N	362.430	2.025	10	10	FECE	
C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)[C@@]12CCC[C@@H]1C2	1704034434	QSNZXUIATUFLBN-WHWRDJHUSA-N	357.414	2.274	10	10	FECE	
Cc1cc(CC(=O)N2CC(O)(c3ccnn3C)C2)c(C)n1-c1ccccc1	1471473048	POBZAFVNBZICOL-UHFFFAOYSA-N	364.449	2.100	10	10	FECE	
O=C(OC[C@@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1)N1CCCC1	1623662346	YGZUXEAXZLATRK-HNNXBMFYSA-N	362.426	2.254	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1C(=O)Nc2ccc(F)cc21	1633818226	FKXSQGWIMIAIAF-YGRLFVJLSA-N	358.369	2.410	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(C)C(=O)N1CCC(CN=[N+]=[N-])CC1	2124532648	LKABNBPJNCLKFO-CXAGYDPISA-N	367.450	2.465	10	10	FECE	
O=C(Nc1nnc(-c2ccncc2)s1)C1=S=c2c(Cl)nccc2=C1	1583129782	YLRVHRSKINWHOU-UHFFFAOYSA-N	373.850	2.238	10	10	FECE	
C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1cccc(O)c1O	1965402005	NHNGXPXCIRDFSB-LLVKDONJSA-N	350.415	2.473	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](O)(C(=O)N2CCC(CN=[N+]=[N-])CC2)C1	2126934617	VOWFYOBUYXMWAK-KRWDZBQOSA-N	367.450	2.297	10	10	FECE	
COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1	5841494	UULCJRGIRBBPAN-BMANGOCTSA-N	372.377	2.446	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(Cc3cc(N)ccc3O)[C@@H]2C1	2129074329	CWWFJQSIXMLJKY-WBVHZDCISA-N	363.458	2.185	10	10	FECE	
Cc1cc(/C=C2/SC(=S)N([C@@H](C(=O)O)[C@@H](C)O)C2=O)ccc1F	1858595430	BGQCMIOJYAXTMR-RGURIEGFSA-N	355.412	2.169	10	10	FECE	
COc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccc(N)cc2)N(C)C)cc1	1860082701	RNKHVLHEIHOFJE-AUUYWEPGSA-N	357.454	2.464	10	10	FECE	
CCOc1cccc(CNCC2(CO)CN(C(=O)OC(C)(C)C)C2)c1O	2137076797	AGMRQJFMMKVQAB-UHFFFAOYSA-N	366.458	2.110	10	10	FECE	
Cc1cccc(CNC(=O)[C@H]2COC[C@H]2N(C)C(=O)OC(C)(C)C)c1O	2139741937	QZGHTAKFHWIDTQ-LSDHHAIUSA-N	364.442	2.199	10	10	FECE	
CCCN[C@](CSc1nccs1)(C(N)=O)C1(Br)CC1	2141670730	RLPVJGQYDBKIQP-GFCCVEGCSA-N	364.334	2.386	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(Cc2cc(F)ccc2O)C1	1972303412	OQPPQSNMOZVOBR-UONOGXRCSA-N	368.405	2.474	10	10	FECE	
C[C@H](NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C)c1cc(O)ccc1O	394439094	WQOCVLNTNKAERV-KBPBESRZSA-N	365.474	2.300	10	10	FECE	
COc1ccc(N2CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(N)c1	2044725225	JOVHNWTYXMICMU-MLGOLLRUSA-N	351.447	2.396	10	10	FECE	
CC(C)(C)OC(=O)NCc1cc(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)no1	2060618232	WVTMNYRHNRZKSI-JTQLQIEISA-N	350.379	2.472	10	10	FECE	
CC(C)(C)OC(=O)NC1[C@@H]2CN(CCC(=O)Nc3ccc(N)cc3)C[C@@H]12	2107820805	VUBOTFIJFZCYCX-HUUCEWRRSA-N	360.458	2.052	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)[C@H]1C1CC1	2253728053	IQFRHPNLMHGJMY-XKVFNRALSA-N	350.459	2.288	10	10	FECE	
CC(C)(C)OC(=O)N1CC(F)(F)[C@](C)(NC(=O)c2ccc(O)c(O)c2)C1	2336521113	UBQMRMNYAWFAIN-MRXNPFEDSA-N	372.368	2.472	10	10	FECE	
Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/C=C1/C(=O)N(C)C(=O)N=C1O	59858105	BXTVXNDNDUIHGL-RIYZIHGNSA-N	369.337	2.329	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)NC[C@H](c1cnn(C)c1)N(C)C	118086524	CPIRNNWUSVYXLN-QGZVFWFLSA-N	359.474	2.350	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@]2(C(=O)N3CCc4cc(O)c(O)cc4C3)C[C@H]12	2366910479	DDTCRNGSIDJWEM-LAPQFRIASA-N	374.437	2.286	10	10	FECE	
COc1ccc(N2CCCN(C(=O)Cc3ccccc3C(N)=O)CC2)cc1	192032896	AXHPQHHGBWJDGC-UHFFFAOYSA-N	367.449	2.076	10	10	FECE	
CCOC(=O)CC[C@H](C)NC(=O)/C=C\c1ccc(N2CCOCC2)cc1	255518806	OFHHURDAWZMEKY-BJIFSAINSA-N	360.454	2.384	10	10	FECE	
O=C(COCc1ccccn1)NCc1cc(Br)ccc1O	807737100	MISOWRJUFDXYOB-UHFFFAOYSA-N	351.200	2.383	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1	808514068	ROEJGEVRSAGEQX-ZACQAIPSSA-N	357.406	2.161	10	10	FECE	
Cn1cc(CC(=O)NCc2cc(Br)ccc2O)c(Cl)n1	816653697	DTLBJWKZUKZTPP-UHFFFAOYSA-N	358.623	2.401	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c2ncnn21	820004927	KTPHBGSYBNXFHL-KBMXLJTQSA-N	371.441	2.380	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)c1nccc(-c2cnccn2)n1	827328127	QCMRHESZTFPGDK-UHFFFAOYSA-N	362.437	2.407	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)N3C[C@H](C)[C@@H]3C)CC2)cc1	837392215	UEKQNDFEYWZINL-IRXDYDNUSA-N	360.502	2.257	10	10	FECE	
COC(=O)[C@@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1ccnn1C	843714719	ZFLHSZPYKFWIPH-SFHVURJKSA-N	366.421	2.472	10	10	FECE	
COCCO[C@H]1CCCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1	844207523	MFMVLIJSHHEAMR-DYLGSBMWSA-N	350.371	2.324	10	10	FECE	
Cc1cc(C(=O)N2CCOC3(CCN(C)CC3)C2)c(C)n1-c1ccccn1	844097385	RXQFRMBSLBMZTA-UHFFFAOYSA-N	368.481	2.426	10	10	FECE	
Cc1cc(O)c(CN2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c(Cl)c1	840946638	DASVZFGMALVSSD-PIGZYNQJSA-N	351.834	2.307	10	10	FECE	
COCc1cc(O)ccc1NS(=O)(=O)CCOc1ccc(OC)cc1	840914587	CJRFMOGHIWJNDP-UHFFFAOYSA-N	367.423	2.368	10	10	FECE	
CCC(CC)N1C[C@H](C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1=O	855231861	MXRWBZUZFICVEC-HZPDHXFCSA-N	373.497	2.427	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CNC(=O)CCC3CCCC3)C2)cc1	855229374	JKHQKBDJDISPLV-QGZVFWFLSA-N	373.497	2.477	10	10	FECE	
COC(=O)c1cc(O[C@H]2CCN(CC(F)(F)F)C2=O)ccc1N(C)C	865396126	LDHWXUXUNIUWJY-ZDUSSCGKSA-N	360.332	2.081	10	10	FECE	
C[C@@H](NC(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1ccccc1O	875747647	RHHVQZGLESJDEQ-ZTFGCOKTSA-N	359.470	2.396	10	10	FECE	
COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1	775285804	CTCWULURBWMCFL-UHFFFAOYSA-N	370.314	2.027	10	10	FECE	
Cc1cc(CCNC(=O)NCc2cn(C)nn2)c(C)n1-c1ccccc1	783012354	NFZJDDOKHWEJKR-UHFFFAOYSA-N	352.442	2.265	10	10	FECE	
COC(=O)[C@@H](C[C@H]1CCCO1)NCc1cccc(Br)c1O	895863764	NJYCIKAXMUKKKW-DGCLKSJQSA-N	358.232	2.355	10	10	FECE	
CNS(=O)(=O)c1ccc(NC(=O)c2ccc(C3=S=CC=C3)o2)cc1	1135262859	YVKPGQNVAFYGFO-UHFFFAOYSA-N	362.432	2.066	10	10	FECE	
C[C@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1cc(F)ccc1O	705767712	QGUHQRLNBTZHIR-OZVIIMIRSA-N	354.422	2.410	10	10	FECE	
Cc1cc(CC(=O)NC[C@@H](C(=O)O)[C@@H]2CCOC2)c(C)n1-c1ccccc1	1345169956	IQTIAPLJAWZKDX-VQIMIIECSA-N	370.449	2.490	10	10	FECE	
C[C@@H](NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)C1(C)CC1	1347496737	QBVUDNGTOKSRRC-CQSZACIVSA-N	358.486	2.376	10	10	FECE	
Oc1ccc(CNC[C@]23CN(Cc4ccccc4)C[C@@H]2CCO3)c(O)c1	2118580599	FEZBVILBBHWAHZ-RXVVDRJESA-N	354.450	2.479	10	10	FECE	
CC(C)n1ncc2cc(/C=C\C(=O)NCc3ccc(O)cc3O)c(=O)[nH]c21	1469159796	NSEJOVGPUUDSRH-XQRVVYSFSA-N	368.393	2.046	10	10	FECE	
CC(C)[C@H](C(=O)NCc1c(O)cccc1F)N1C(=O)c2ccccc2C1=O	1471975208	UCEGHCHVYRKXCO-QGZVFWFLSA-N	370.380	2.468	10	10	FECE	
Cc1noc([C@@H]2OCC[C@@H]2NC(=O)NCc2c(O)ccc3c2CCCC3)n1	1470970697	WNBKMNJOQWOMHD-DOTOQJQBSA-N	372.425	2.292	10	10	FECE	
COc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1O	1197382	GIMMTJWPPNPPEQ-RIYZIHGNSA-N	370.336	2.202	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1	1625563735	LXRKDOBPONCVEC-CQSZACIVSA-N	364.442	2.404	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)C1	2124544046	ZIZRRPSFJVZFND-GUYCJALGSA-N	367.450	2.155	10	10	FECE	
C[C@@H](C(=O)N1CC[C@@H](CN=[N+]=[N-])C1)N1CCN(C(=O)OC(C)(C)C)CC1	2124513664	QWMVBVAQBIBTKH-KBPBESRZSA-N	366.466	2.086	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)CNC(=O)c2ncccc2O)cc1	1587459754	GUGXSLIBELVUGH-UHFFFAOYSA-N	370.453	2.022	10	10	FECE	
COc1ccc(N2CCN(CC[S@](=O)C(F)(F)F)CC2)c(OC)c1	1654564414	GDSKSKOYGHFBPY-DEOSSOPVSA-N	366.405	2.094	10	10	FECE	
O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(F)c(F)c2)SC1=S	1858595734	HKDPGYUQDQVIFL-YNYSXPKMSA-N	373.358	2.094	10	10	FECE	
COC[C@@]1(NCc2cccc(O)c2O)CCN(C(=O)OC(C)(C)C)C1	2039840923	LIPPFHXHCBACLY-GOSISDBHSA-N	352.431	2.213	10	10	FECE	
Nc1ccc(OC[C@H](O)CN2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1	2188877840	JWOKNFUQUYISEJ-DWLFOUALSA-N	367.493	2.215	10	10	FECE	
C[C@@H]1COC[C@@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])N1C(=O)OC(C)(C)C	2060620442	AKSVWDDBPABUFE-AGIUHOORSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C[C@H](O)C1	2073246895	XVXQLVHGEDCXCT-MQIPJXDCSA-N	353.423	2.096	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC2(CCN2C(=O)OC(C)(C)C)C1	2106764872	JHLGAQUAIBDEIS-ZDUSSCGKSA-N	360.458	2.291	10	10	FECE	
Cn1cc(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])nc1CNC(=O)OC(C)(C)C	2225793514	XRKFKIMCEPWKKM-GHMZBOCLSA-N	363.422	2.406	10	10	FECE	
CN(C(=O)CN1C[C@@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1)c1ccc(N)cc1	2288269255	ZVYCTOBJFCVLEH-VBKZILBWSA-N	374.485	2.078	10	10	FECE	
CSc1ncc(CN[C@@]2(C(=O)O)CN(C(=O)OC(C)(C)C)[C@H]2C)s1	2306501195	QGGZTIDACJHIMT-VFZGTOFNSA-N	373.500	2.417	10	10	FECE	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/NCCc1c[nH]c2ccccc12	103769653	LDFKLVVCCNDHNA-GHRIWEEISA-N	374.400	2.467	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1nnc(C(C)C)n1C	111238244	JEGFUIGMOGAVMG-UHFFFAOYSA-N	366.849	2.473	10	10	FECE	
Cc1ccc(C(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)c(O)c1O	179494649	IQCHRSUHTHXILL-HNNXBMFYSA-N	358.369	2.423	10	10	FECE	
CN(CCn1cccn1)C(=O)c1cccc2c1C(=O)c1ccccc1C2=O	175352508	MUVREEJZCHLCBR-UHFFFAOYSA-N	359.385	2.431	10	10	FECE	
CCOc1ccc(/C=C2\SC(N3CCN(C(C)=O)CC3)=NC2=O)cc1	33721193	VZVGGJNTLSSCID-VBKFSLOCSA-N	359.451	2.220	10	10	FECE	
CNC(=O)c1ccc(/C=C/C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1	183457093	GZYMQVSZPZGVGW-PPOCWRSBSA-N	354.406	2.218	10	10	FECE	
CC(C)c1nnc2n1C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)CC2	181535798	HABBCOAVFGMPBV-CQSZACIVSA-N	374.464	2.421	10	10	FECE	
Cc1nc(N2CCN(Cc3cccc(Cl)c3O)CC2)c2cnn(C)c2n1	180120061	ABNJIADCSTXHMT-UHFFFAOYSA-N	372.860	2.353	10	10	FECE	
COc1ccc(C(=O)N2CCN(c3ccc4c(c3)OCCO4)CC2)cc1	41380037	KXJKMYXQYBDSFL-UHFFFAOYSA-N	354.406	2.429	10	10	FECE	
COc1ccc(O)c(CNC(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1	377669082	NMJXBHLBFCMRII-INIZCTEOSA-N	355.394	2.006	10	10	FECE	
CC[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1C)c1nccs1	807103915	XKPAQLLENFNBQU-OAHLLOKOSA-N	360.483	2.401	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3CCO[C@H](C4CC4)C3)C2)cc1	823726860	YJLKGKZVNYHINB-BEFAXECRSA-N	359.470	2.342	10	10	FECE	
CO[C@@H]1COCC[C@@H]1CNC(=O)NCc1cc(Br)ccc1O	836574714	NCEPNCWWMFIQHB-QMTHXVAHSA-N	373.247	2.005	10	10	FECE	
Cc1ncc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)c(C2CC2)n1	839485047	SGLSZWVUDYWNFV-UHFFFAOYSA-N	367.453	2.292	10	10	FECE	
C[C@@H]1C[C@H](S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)CCO1	830056990	LPBXVRLITUTYFT-RHSMWYFYSA-N	370.540	2.227	10	10	FECE	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC1CCCCC1	849226188	PPWLQWNOWLUSFH-UHFFFAOYSA-N	365.499	2.053	10	10	FECE	
COc1ccc(CNC(=O)CC2(NC(=O)OC(C)(C)C)CC2)c(O)c1	846949680	JFMNXPIKZUTZBN-UHFFFAOYSA-N	350.415	2.464	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cnc4cc(OC)ccn34)C2)cc1	855222770	ACHHVPDKSRHJCH-CQSZACIVSA-N	366.421	2.360	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC(OCCCO)CC2)c([N+](=O)[O-])c1	756981451	SFAZJZLTHFKCKI-GQCTYLIASA-N	364.398	2.149	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3ccc(OC)cc3O)C2)cc1	852451762	PGVHFAYGWMBLIG-OAHLLOKOSA-N	371.437	2.488	10	10	FECE	
C[C@H](CC(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CCCO1	850079448	NIGPBJQHSJUROS-QAPCUYQASA-N	362.470	2.459	10	10	FECE	
CN1C2(CCC2)COC[C@]1(CO)CNCc1ccc2ccccc2c1O	862463883	OBXNIWPOPCHPFW-OAQYLSRUSA-N	356.466	2.251	10	10	FECE	
CCO[C@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[C@H]1CCOC1	866897856	KDXHHJIEEDOFBR-SCTDSRPQSA-N	363.454	2.341	10	10	FECE	
CCN1CCN(c2ccc(CNCc3ncnn3C(C)C)cc2F)CC1	865456349	IUBTUMSVYBHSHI-UHFFFAOYSA-N	360.481	2.430	10	10	FECE	
O=C(NCc1cccc(Br)c1O)[C@@H]1CCc2nncn2CC1	879774465	IFUZIEHJMXBWIP-SNVBAGLBSA-N	365.231	2.015	10	10	FECE	
COc1ccc(O)c(CNC(=O)C(=O)Nc2cc(C)cc(OC)c2C)c1	787490956	FMIDXZCPTGCBGL-UHFFFAOYSA-N	358.394	2.281	10	10	FECE	
CO[C@@H](C)[C@H](C)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	786147940	UQCYNLCSRUDAAU-IRXDYDNUSA-N	374.529	2.441	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccccc1O)[C@H](O)C(C)(C)C	1877999502	AIZODYSRFSEGDC-CABCVRRESA-N	366.458	2.309	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ncc(Br)cn1	1138152826	QROZYVYJYZSXCP-QMMMGPOBSA-N	352.188	2.011	10	10	FECE	
CNC(=O)C1(NCc2ccc(N(C)C)cc2C(F)(F)F)CCOCC1	895883908	GRRXNEXGOSQRCT-UHFFFAOYSA-N	359.392	2.156	10	10	FECE	
CCc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2	790416321	UOGUKUQLTSBMPL-UHFFFAOYSA-N	367.448	2.085	10	10	FECE	
CC(C)(C)OC(=O)N=c1cc[nH]cc1C(=O)NCc1cccc(O)c1O	1153797847	FVRBHKSANDJZCA-UHFFFAOYSA-N	359.382	2.192	10	10	FECE	
COc1ccc(N2CCC(N[C@@H](Cc3ccncc3)C(=O)O)CC2)cc1	1327183505	OKASBPJSGFVCEF-IBGZPJMESA-N	355.438	2.345	10	10	FECE	
COC(=O)c1cc(C)c(C(=O)NCc2ccc(N3CCOCC3)cc2)o1	1333736621	UXUGTXQQSYGGNO-UHFFFAOYSA-N	358.394	2.141	10	10	FECE	
CN(Cc1nnc2n1CCC[C@@H]2C(F)(F)F)C(=O)c1cccc(O)c1O	1263928675	ZVUWCADVEXKNSW-JTQLQIEISA-N	370.331	2.401	10	10	FECE	
COc1nc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)co1	1261812089	BOZCUUIVHUFCLC-CYBMUJFWSA-N	365.817	2.437	10	10	FECE	
O=C(C[C@@H](c1ccccc1)N1CCOC1=O)NCc1cccc(O)c1O	1521851173	HGUDCVANDVOXQX-HNNXBMFYSA-N	356.378	2.298	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)N[C@@H](CO)CC(C)(C)C)N(C)C)cc1	1471542935	FSFACBYXXBYNQN-AEFFLSMTSA-N	364.534	2.452	10	10	FECE	
COC(=O)c1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)c(O)c(OC)c1	1646270577	OTUQQBCEGMTWMQ-XQRVVYSFSA-N	359.334	2.251	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CC(=O)NCc1cccc(O)c1O)C(F)F	1651175610	FRFCBPZOSYDQHG-JTQLQIEISA-N	360.357	2.263	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[C@H](Oc2cccnc2)C1	152268381	XNTBZPQOOTYZNC-FQEVSTJZSA-N	368.481	2.259	10	10	FECE	
CN1CCCc2cc([C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)O)ccc21	1917190631	IUZUMGLCYUNKQX-LSDHHAIUSA-N	350.415	2.080	10	10	FECE	
CC(=O)N1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1	312491494	JATWAZGRPAHREG-UHFFFAOYSA-N	374.485	2.231	10	10	FECE	
CN(c1ccc(CN)c(Br)c1F)C1CC(S(C)(=O)=O)C1	716057688	WDHQRSGNQWRTBG-UHFFFAOYSA-N	365.268	2.059	10	10	FECE	
Cn1cc(Br)c(S(=O)(=O)N2CCC[C@H](N=[N+]=[N-])CC2)n1	2178419406	VZWGTCHPNRJFKU-QMMMGPOBSA-N	363.241	2.036	10	10	FECE	
CN(C)c1ccc([C@](C)(O)[C@@](C)(NC(=O)OC(C)(C)C)C(=O)O)cc1	2058201948	XPPQXLABEJEHJV-ROUUACIJSA-N	352.431	2.328	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2060639207	FPTITGXXNUPALY-CHWSQXEVSA-N	353.423	2.171	10	10	FECE	
COCC1(NCc2c(O)cccc2OC)CN(C(=O)OC(C)(C)C)C1	2070587439	WZIVZPPNMHSFMT-UHFFFAOYSA-N	352.431	2.126	10	10	FECE	
C[C@@H](NC(=O)[C@H](O)C(C)(C)NC(=O)OC(C)(C)C)c1ccccc1O	2072475293	DZEHKZOXGFBIBQ-RISCZKNCSA-N	352.431	2.234	10	10	FECE	
CN(CCNC(=O)c1ccn(-c2ccc(N)cc2)n1)C(=O)OC(C)(C)C	2106238706	DOMSHMHRIZMDPX-UHFFFAOYSA-N	359.430	2.051	10	10	FECE	
COc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(F)cc2)C1=O	2296755495	DXSDAJXENXYZBM-UHFFFAOYSA-N	355.325	2.413	10	10	FECE	
Cc1c([C@@H](C)NC(=O)C=Cc2ccc(N3CCOCC3)cc2)cnn1C	2297505784	IYNFRHJPMKSVFG-OAHLLOKOSA-N	354.454	2.456	10	10	FECE	
CC[C@@H](NN(C)S(=O)(=O)CC)c1cc(Br)ccc1O	2339773301	IELYOBZEHYBPQL-LLVKDONJSA-N	351.266	2.392	10	10	FECE	
O=S(=O)(c1ccc(F)c(F)c1)N1CCN(Cc2ccccc2O)CC1	179557877	GKGRIVVPPPNOQE-UHFFFAOYSA-N	368.405	2.177	10	10	FECE	
CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@@]2(CCOC2)O1	376020566	GREXCEVUSODMMG-CXAGYDPISA-N	352.387	2.079	10	10	FECE	
CCOc1ccc(O)c(CN2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c1	289668723	DIVCRYBNIWQJRO-HXUWFJFHSA-N	369.465	2.135	10	10	FECE	
CC(C)[C@@H](C)CNC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	803309141	PWJJMAIUSGBABW-HOTGVXAUSA-N	361.486	2.109	10	10	FECE	
COc1cccc(O)c1CN1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21	809770507	ZIVTZBBQDCDGDR-CABCVRRESA-N	368.433	2.410	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCc3nnc(C4CC4)n3C2)c1	815835449	UNNXCSNRPRUZRT-AAEUAGOBSA-N	356.426	2.310	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CCO[C@@H](CC(F)(F)F)C2)c1O	827786670	KKOIABWGFINBNR-JTQLQIEISA-N	350.293	2.462	10	10	FECE	
COCc1ccc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)o1	837703998	JKKRXRBTUDFLTH-UHFFFAOYSA-N	366.364	2.471	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)c3ccc(Cl)nc3)C2)cc1	849416088	KJMOEUTVGKJDNX-LBPRGKRZSA-N	367.858	2.301	10	10	FECE	
CCc1cc(NC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)no1	740463513	PLFKVFSJXJVFPG-UHFFFAOYSA-N	373.457	2.189	10	10	FECE	
CNC(=O)c1cccnc1NCc1cc(F)c(N2CCOCC2)c(F)c1	840327942	XPDCLUDKQVUYGP-UHFFFAOYSA-N	362.380	2.168	10	10	FECE	
C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@](C)(C(F)F)O1	853999006	GIPCCUFZOIYTJQ-ANRSDYALSA-N	357.313	2.175	10	10	FECE	
C[C@H](NCCN1CCC(N)CC1)c1cc(Br)c(F)cc1O	925813769	YKDFHXDYZBNVKT-JTQLQIEISA-N	360.271	2.368	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Nc3ccc(OCCN)cc3)C2)cc1	850753261	AUTZXPZRCQPFJX-MRXNPFEDSA-N	370.453	2.433	10	10	FECE	
CCN(C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1CCN(C)C1	853487860	ZBQASRYYHNZQHA-QFBILLFUSA-N	360.502	2.320	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCN(CC4CC4)CC3)C2)cc1	854301316	NINDVHZCGQDVDM-QGZVFWFLSA-N	358.486	2.011	10	10	FECE	
O=C(NCCCSc1nccs1)[C@H]1OCCO[C@H]1C(F)(F)F	865783617	SCLUMKUFZDQERW-DTWKUNHWSA-N	356.391	2.088	10	10	FECE	
Cc1occc1C(=O)NC1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1	768450283	JICBTOVEMYGHRF-SFHVURJKSA-N	372.421	2.114	10	10	FECE	
Cc1cc(C(=O)CN2CC[C@@H](NC(N)=O)C2)c(C)n1-c1ccc(F)cc1	762927302	ZWMPENZNOMRBHX-OAHLLOKOSA-N	358.417	2.159	10	10	FECE	
CO[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(O)cc1	765984006	XVDVNHAMUVLYSL-LJQANCHMSA-N	356.422	2.233	10	10	FECE	
C[C@H](O)C[C@@H](C)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	783257661	WPJNTZKCINCKON-SJORKVTESA-N	374.529	2.177	10	10	FECE	
COc1cc(O)c(CNC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)cc1OC	787306020	XZYMIVIMFZQQQV-QIRUELKLSA-N	357.450	2.008	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2c(O)cccc2O)C1	1304053942	WWYDPQSZAHGMAK-YJYMSZOUSA-N	362.426	2.361	10	10	FECE	
Cc1cc(Br)cc(CN(C)C[C@@H]2CCS(=O)(=O)C2)c1O	775712822	JLLOSHXINFJEAO-NSHDSACASA-N	362.289	2.330	10	10	FECE	
Nc1ccc(NC(=O)CCCn2cc(I)cn2)cc1	96714651	GSJLYJQSUKOMMO-UHFFFAOYSA-N	370.194	2.489	10	10	FECE	
CN1C[C@H]2[C@@H](NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)CC[C@H]2C1	1346790170	CNCTYKOGOOVVMJ-SXLOBPIMSA-N	372.513	2.005	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@]23COCCN2C(=O)OC3)cc1	1438627082	AMBAHZIZWMVRKJ-FQEVSTJZSA-N	369.421	2.045	10	10	FECE	
COC(=O)c1cn(CC(=O)NCc2ccc(O)cc2O)c2ccccc12	1299571497	XBTSEFLICPEHGM-UHFFFAOYSA-N	354.362	2.156	10	10	FECE	
COC[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(F)cc1	1459841413	XXSFIWKBWOBFMB-IBGZPJMESA-N	359.445	2.485	10	10	FECE	
CCOC(=O)c1cc(NC(=O)c2ccc(C3=S=C(C=O)C=C3)cc2)[nH]n1	1466590730	YJWFWTFGWKSCBT-UHFFFAOYSA-N	369.402	2.034	10	10	FECE	
Cc1occc1-c1cc(NC(=O)Cc2ccc(O)c(O)c2)n(CCO)n1	1627972290	MUMJGCZLKQHYSI-UHFFFAOYSA-N	357.366	2.036	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)Nc2cccc(O[C@H]3CC(=O)N3)c2)cc1	1637910863	QGEDVSGPBBCBEK-HNNXBMFYSA-N	353.338	2.326	10	10	FECE	
COC[C@]1(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CCN(C(=O)OC(C)(C)C)C1	2124503040	GRBJDXXPTGJYFS-DYVFJYSZSA-N	367.450	2.419	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2124508170	NPABPXSFJUNTHW-IHRRRGAJSA-N	367.450	2.296	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2124510617	YWSRGBDWNQULCW-UONOGXRCSA-N	367.450	2.465	10	10	FECE	
CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(O)c(O)c(O)c1	2132392797	MHCRHSZQQNGYIO-LBPRGKRZSA-N	366.414	2.275	10	10	FECE	
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)CC(O)C1	2131459621	MBGSIWGGOMPAKY-POZPTJLLSA-N	367.450	2.344	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1	2132418542	LDLFYEKYKDXHCP-RYUDHWBXSA-N	366.414	2.369	10	10	FECE	
O=S1(=O)CCC[C@@H]2CN(Cc3ccc(Br)cc3O)C[C@H]21	2145070692	DBBPPRMIMFPHNY-BXUZGUMPSA-N	360.273	2.164	10	10	FECE	
COc1ccc(CN[C@H]2COCC[C@H]2NC(=O)OC(C)(C)C)c(O)c1	2031533420	UGUOCUPOLFWJKV-CABCVRRESA-N	352.431	2.173	10	10	FECE	
C[C@H](N)c1ccc(N2CCS(=O)(=O)[C@H](C)[C@@H]2C)cc1Br	2170273545	IHKOAJUCHQPGPL-GARJFASQSA-N	361.305	2.481	10	10	FECE	
CN(CCN(C)C(=O)OC(C)(C)C)C(=O)CCOc1ccc(N)cc1	2044686312	JSYOTONRWGCCAH-UHFFFAOYSA-N	351.447	2.363	10	10	FECE	
C[C@H](C[S@@](C)(=O)=NC(=O)Cc1ccc(N)cc1)NC(=O)OC(C)(C)C	2044650481	NDGVEXASZRVMMD-XELLLNAOSA-N	369.487	2.349	10	10	FECE	
COC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1O	2060435411	PSKVHUOSXDDGMD-GOSISDBHSA-N	352.431	2.280	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1CN=[N+]=[N-])[C@@H]1CCOC1	2060621513	OLFSFOJNOKCKKD-FRRDWIJNSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060613452	RLHOJHVCCUGDRP-AVGNSLFASA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2067793698	YEUDZYBVICSWDT-STQMWFEESA-N	355.439	2.059	10	10	FECE	
COC(=O)[C@@H](CCNCc1ccc2c(c1)CCO2)NC(=O)OC(C)(C)C	2088542669	KNXHHPXYPRSSNV-OAHLLOKOSA-N	364.442	2.168	10	10	FECE	
COC(=O)[C@@H](CCN[C@@H](C)c1c(O)cccc1O)NC(=O)OC(C)(C)C	2088543452	RJXJMPFZWSJALL-NWDGAFQWSA-N	368.430	2.205	10	10	FECE	
O=C(NN1C(=O)C(=Cc2ccccn2)SC1=S)c1ccc(O)cc1	2293031260	YYAZQORGWXMFGF-UHFFFAOYSA-N	357.416	2.333	10	10	FECE	
Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccc(C(=O)O)cc3)C2=O)c1	2297531873	MYENEFUWPYEJJZ-UHFFFAOYSA-N	365.345	2.272	10	10	FECE	
CN1CCC[C@@H]2CN(C(=O)C=Cc3ccc(N4CCOCC4)cc3)CC[C@H]21	2300813284	MFJOLVBXBISXKJ-TZIWHRDSSA-N	369.509	2.479	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)NC[C@@H](CO)c1ccccc1	255544299	ZGIWWRQPARKWNB-WUQYLLKWSA-N	366.461	2.429	10	10	FECE	
O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)N1CCOC[C@H]1C1CC1	372319379	SMBZIYMGVVPVLV-MOPGFXCFSA-N	374.481	2.011	10	10	FECE	
Cc1ccc(CN2CCS(=O)(=O)[C@H](C)[C@@H]2C)c(O)c1Br	2380733462	ONCWSVGSAVMACA-WDEREUQCSA-N	362.289	2.471	10	10	FECE	
Cc1ccc(CN(C)C(=O)C[C@H](N)C(F)F)c(O)c1Br	2380766818	DTJLKSDWAZAFFZ-VIFPVBQESA-N	351.191	2.404	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)[C@@H]1CCn2ccnc2C1	804735615	BBJHTLXRFPHQQL-SNVBAGLBSA-N	350.216	2.230	10	10	FECE	
C[C@@H](NC(=O)C(=O)N1CCC(c2cnc[nH]2)CC1)c1ccc(N(C)C)cc1	807674668	OWKUEECTBMWDSY-CQSZACIVSA-N	369.469	2.059	10	10	FECE	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1	822196969	FFDUJPBOQHVKNF-YOEHRIQHSA-N	363.458	2.115	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)c2cn([C@H]3CCCNC3)nn2)cc1	826020856	XWVFGTOTWXHSIY-SFHVURJKSA-N	370.501	2.321	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)O	909042532	GJAZRFFBKGZTMW-YOEHRIQHSA-N	363.458	2.130	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@H]3C3CC3)cc2)C1	837769613	QKJLOUUQNGMJPZ-AEFFLSMTSA-N	356.470	2.082	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CC[C@@H](OC)C1	831706164	BCGGBZRURHPNJF-BXUZGUMPSA-N	355.818	2.362	10	10	FECE	
Nc1ccc(CCNC(=O)NC[C@H](CO)Cc2ccc(F)c(F)c2)cc1	841959037	JNKMFXXLLLUUNW-OAHLLOKOSA-N	363.408	2.240	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)c3sccc3OC)C2)cc1	849416607	SVEUOCIBSXAVJJ-LBPRGKRZSA-N	368.480	2.323	10	10	FECE	
CCOc1ccc(O)c(CNC[C@H]2CS(=O)(=O)c3ccccc3O2)c1	842722571	RLPJJLPZNQDCMF-HNNXBMFYSA-N	363.435	2.115	10	10	FECE	
CCN1C[C@H](N[C@@H](C)c2cc(Br)cc(OC)c2O)CC1=O	848553373	KXCKJSLKNSSPKC-GXSJLCMTSA-N	357.248	2.435	10	10	FECE	
C[C@H]1COC2(CCC2)CN1C(=O)NCc1ccc(N2CCOCC2)cc1	852004588	IKZALLNKYYFJFG-INIZCTEOSA-N	359.470	2.376	10	10	FECE	
CN(C)c1ccc(CN(C(=O)N[C@H]2CCc3nnn(C)c3C2)C2CC2)cc1	927851780	YIKTZWJMKCGSQX-HNNXBMFYSA-N	368.485	2.113	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CCNC(=O)C3CCCCC3)C2)cc1	855231933	YYPXGODPEFOMAU-QGZVFWFLSA-N	373.497	2.477	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cc4nn[nH]c4cc3F)C2)cc1	855225881	LJLMCWZTHHFISJ-LLVKDONJSA-N	355.373	2.114	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)NC(=O)C3CCCCC3)C2)cc1	855231898	YEYNOASWNWOITP-DOTOQJQBSA-N	373.497	2.475	10	10	FECE	
CN(C)c1ncc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cn1	752335389	UMOBKGVIXUSAQX-MRXNPFEDSA-N	371.441	2.461	10	10	FECE	
C[C@H](NC(=O)N[C@@H]1C[C@@H](C)n2ncnc21)c1ccc(N2CCOCC2)cc1	852011809	AKJOOUZTYLSJEB-JKIFEVAISA-N	370.457	2.181	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCc2nnc(C3CC3)n2C1	862026221	IXGUQJKPSATNFM-OAHLLOKOSA-N	363.421	2.288	10	10	FECE	
CCc1oc(C(=O)OC)cc1S(=O)(=O)N1Cc2cccc(O)c2C1	867690918	NVMIHOTUYHFTBO-UHFFFAOYSA-N	351.380	2.039	10	10	FECE	
CCc1n[nH]cc1C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	769121291	GHSHIANKWUMWME-UHFFFAOYSA-N	367.497	2.434	10	10	FECE	
Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1Cc2cccc(O)c2C1	871201673	YKJVKILOPGDDFE-KRWDZBQOSA-N	367.384	2.152	10	10	FECE	
O=C1N[C@H](Cc2cncs2)C(=O)N1CCCSc1nccs1	871894797	WWUVYNMQSKRIPM-SNVBAGLBSA-N	354.482	2.245	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCOC[C@H]2c2ncon2)c1	781919950	GMVUYCQQJOPRGJ-LBPRGKRZSA-N	354.204	2.420	10	10	FECE	
NC(=O)CNC(=O)c1ccc(NCc2c(O)ccc(Cl)c2F)cc1	787793988	GBOIUZAXYNLMQY-UHFFFAOYSA-N	351.765	2.012	10	10	FECE	
COC(=O)c1ccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)nc1C1CC1	781026048	FMXUUYDEADXWPR-OQFOIZHKSA-N	368.389	2.486	10	10	FECE	
Cc1cnccc1/C=C/C(=O)NCc1ccc(N2CCN(C)CC2)cc1	893608569	WTWMMLLRMDCZRN-VMPITWQZSA-N	350.466	2.471	10	10	FECE	
CC1(C)CO[C@H](CC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1	894589896	LAMWWWLLGXFMCH-GOSISDBHSA-N	373.497	2.210	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC[C@H](O)COc2ccc(F)cc2)cc1	1150146916	PBUUUGKQYCEWAJ-AWEZNQCLSA-N	360.345	2.158	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F	1328393465	GMJHAMFOVKQFGR-BMFZPTHFSA-N	365.424	2.227	10	10	FECE	
C[C@H]1CSCCCN1C(=O)C(=O)NCc1ccc(N2CCCC2)cc1	1354414132	KXYQUILLPYLIPT-HNNXBMFYSA-N	361.511	2.257	10	10	FECE	
C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1cccc(O)c1O	2118180850	KLPQGDBQUVMUPL-PTRXPTGYSA-N	360.332	2.015	10	10	FECE	
CC(=O)N1C[C@@H](C(=O)NCc2cccc(Cl)c2O)Oc2ccccc21	1606860789	TYZJCVPTRMKLLU-INIZCTEOSA-N	360.797	2.476	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCO[C@H](c3nccn3C)C2)c1	1470477972	BWLJTDZEQLMQDF-DCGLDWPTSA-N	374.441	2.415	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1CC1CCN(C(C)=O)CC1	1709038485	KEEZJHFYVWJAPR-UHFFFAOYSA-N	371.485	2.441	10	10	FECE	
CC1(C)OC[C@H](/C=C/C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)O1	1634348395	YGIMEKRROYZGRF-UCFODXPJSA-N	374.481	2.219	10	10	FECE	
Cc1noc([C@@H]2OCC[C@@H]2NC(=O)N(C)Cc2ccc(N(C)C)cc2)n1	1565160752	ZOUGFAXTOUKOSL-JKSUJKDBSA-N	359.430	2.116	10	10	FECE	
Cc1nn(-c2ccccn2)c(C)c1CC(=O)NCc1c(O)cccc1O	1597568874	IWFAZSCLNFVCLP-UHFFFAOYSA-N	352.394	2.154	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)c2ncc(Br)cn2)c1	1595806134	ACQBNXWKWQMJHJ-MRVPVSSYSA-N	352.188	2.444	10	10	FECE	
CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2127463519	BCOWLAWRPHNHGZ-MGPQQGTHSA-N	367.450	2.417	10	10	FECE	
COc1ccc(N(Cc2ccccc2)C[C@H](O)CN2CCOCC2)cc1	157417582	CFRIPDLPXUDUNK-HXUWFJFHSA-N	356.466	2.395	10	10	FECE	
Cc1cc(C(N)=O)c(NC(=O)CCNCc2ccc(N(C)C)cc2)s1	1857873592	NIODACMHVDHPDZ-UHFFFAOYSA-N	360.483	2.340	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2ON=C(CNCc3ccc4c(c3)CCO4)[C@H]2C1	2183633056	PGVFLARVIDZTLD-CRAIPNDOSA-N	373.453	2.333	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1CC(C2CN(C(=O)OC(C)(C)C)C2)C1	2196642788	ZLZPYIAHNMETGR-CYBMUJFWSA-N	374.485	2.395	10	10	FECE	
CC(C)(C)OC(=O)NCC1(CNC(=O)CCOc2ccc(N)cc2)CC1	2106260454	VTRJYHBJFNJXKX-UHFFFAOYSA-N	363.458	2.459	10	10	FECE	
CC(C)(C)OC(=O)NCC1CCN(CC(=O)Nc2ccc(N)cc2)CC1	2106759258	FQGZYIWZOFJKEM-UHFFFAOYSA-N	362.474	2.444	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])CO1	2218739898	HITGUMZWTYGBAO-NDBYEHHHSA-N	353.423	2.358	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]12C[C@H]2C(=O)NCCc1ccc(O)c(O)c1	2268131908	QRELYQDSGHJEPQ-IOHHAYIISA-N	362.426	2.060	10	10	FECE	
COCCn1c(C)cc(C=C2SC(=O)N([C@@H](C)C(=O)OC)C2=O)c1C	2293999167	YTKDEKFGHFJIJK-LBPRGKRZSA-N	366.439	2.349	10	10	FECE	
O=C(O)CN(Cc1cc(Cl)cc(Br)c1O)[C@@H]1CCOC1	2288224711	GINNFOVXJKHVIK-SNVBAGLBSA-N	364.623	2.484	10	10	FECE	
C[C@H](c1cc(Br)ccc1O)N1CCN(CCN(C)C)CC1	133872103	MDWDUYMOAYCDPU-CYBMUJFWSA-N	356.308	2.395	10	10	FECE	
CN1CCCc2cc(/C=C3/C(=O)Nc4ccc(S(N)(=O)=O)cc43)ccc21	194575451	LXICRTBBJYFMNA-MHWRWJLKSA-N	369.446	2.209	10	10	FECE	
CCn1c(/C(Cl)=C\c2cn(C)c(=O)n(C)c2=O)nc2cc(F)ccc21	255625197	KHTNEWQJHPCJEF-KPKJPENVSA-N	362.792	2.330	10	10	FECE	
C[C@H]1CN(c2ccc(CNC3CCN(C(N)=O)CC3)cc2F)C[C@@H](C)O1	268850031	KADUCXKIWAZNGK-OKILXGFUSA-N	364.465	2.072	10	10	FECE	
Cc1ccc(CN(C)C(=O)[C@H](N)C(C)(F)F)c(O)c1Br	2380764362	CPGHBDJOQAHLSS-NSHDSACASA-N	351.191	2.404	10	10	FECE	
COc1ccc(N2CC[C@@H](CNS(=O)(=O)c3ccccc3N)C2)cc1	819887394	JIHOHCKWVUUJQT-AWEZNQCLSA-N	361.467	2.082	10	10	FECE	
Cc1cc(O)nc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1	815655721	ZYCWRBSTIBNOLO-UHFFFAOYSA-N	355.438	2.234	10	10	FECE	
COC(=O)CC[C@@H](N)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	827820785	FNOINWZVHDAXQI-GOSISDBHSA-N	361.486	2.352	10	10	FECE	
Cn1ccnc1CN1CCN(Cc2ccc(Br)cc2O)CC1	824719432	FDSKATHYHRGZSB-UHFFFAOYSA-N	365.275	2.206	10	10	FECE	
C[C@@H](C(=O)N1Cc2cccc(O)c2C1)[C@@H](O)CN(C)C(=O)OC(C)(C)C	913726020	GCFPFHJCYSWYGB-WBMJQRKESA-N	364.442	2.098	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CC[C@@H]3COC(=O)N[C@H]3C2)c1O	842642593	GZKXZXZNWSNRTC-DYVFJYSZSA-N	370.405	2.262	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3[C@H]4CCO[C@H]4C3(C)C)C2)cc1	852139164	LNFHMSBJQBGCTQ-OKDNKWQNSA-N	359.470	2.387	10	10	FECE	
COC[C@@]1(C)CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CCO1	858865847	RSQVDCHSXMYEGH-XTKXOIQPSA-N	350.371	2.023	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N(C)[C@@H]3CCN(C4CC4)C3)C2)cc1	854302331	ZEEBQBKLMOERRC-CRAIPNDOSA-N	358.486	2.152	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3c4ccccc4C[C@@H]3O)C2)cc1	854301449	POVPUSKZFDLUHV-RYGJVYDSSA-N	367.449	2.231	10	10	FECE	
C[C@H](NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1cnnn1C	925676471	JZUMWWMQTGHEQD-INIZCTEOSA-N	354.502	2.198	10	10	FECE	
CNC(=O)c1cccc(OCC(=O)NCCCSc2nccs2)c1	759092054	WOHOPGGZSNOCIQ-UHFFFAOYSA-N	365.480	2.180	10	10	FECE	
Cc1cc(CC(=O)O[C@H](C)C(=O)N2CCNC2=O)c(C)n1-c1ccccc1	853933528	FRVPTUWVQXBMMT-OAHLLOKOSA-N	369.421	2.120	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CNC[C@@]3(C)C[C@@H]4C[C@@H]4C3)CC2)cc1	863581978	IKUVLPSLZDSILW-TWWGPRNNSA-N	373.541	2.204	10	10	FECE	
COc1ccc(CNCc2ccc(CN3C(=O)CNC3=O)cc2)cc1C	865773270	LUPAKKQEOCWOOT-UHFFFAOYSA-N	353.422	2.345	10	10	FECE	
Cc1cc(C(=O)N2CCC(Cc3nn[nH]n3)CC2)c(C)n1-c1ccccn1	1123983873	PXPWGPSBJIYCBO-UHFFFAOYSA-N	365.441	2.097	10	10	FECE	
O=C1OCC[C@H]2CN(Cc3cc(Br)cc(F)c3O)CCN12	894094303	JTFDMDWWKRZGSM-NSHDSACASA-N	359.195	2.320	10	10	FECE	
Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1	1134686635	QLXBBSVZLGZJJF-GOSISDBHSA-N	371.441	2.397	10	10	FECE	
C[C@H]1CN(CCCCNC(=O)c2ccc(N=NC(N)=O)cc2)C[C@H](C)O1	1137205306	XUGLSONBOZCRFA-KBPBESRZSA-N	361.446	2.468	10	10	FECE	
C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1nc(C(F)(F)F)n[nH]1	1157244710	XNEKYACSUIEKBX-LURJTMIESA-N	355.280	2.477	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1ccc(NCCn2ccnc2)cc1	1304053312	HXZNUHAKFHUKLB-UHFFFAOYSA-N	352.394	2.336	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCn3c(C)nnc3[C@@H]2C)c([N+](=O)[O-])c1	1164400463	DTTKRRAJFDHYGZ-ZRQQLDRUSA-N	357.370	2.262	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C2(F)F	1328393470	GMJHAMFOVKQFGR-FVQBIDKESA-N	365.424	2.227	10	10	FECE	
COc1cccc(CNCCOCCCNC(=O)OC(C)(C)C)c1O	698769442	CGSMDWOLLSGLDF-UHFFFAOYSA-N	354.447	2.422	10	10	FECE	
CC1(CNC(=O)C(=O)NCCCSc2nccs2)CC(F)(F)C1	1331685267	FYMAARVAMGHURH-UHFFFAOYSA-N	363.455	2.293	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1F	1257519728	FIWCTXXJAJFYOD-NVXWUHKLSA-N	355.413	2.180	10	10	FECE	
CC[C@@H]1CN(C)CCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1479532287	AWPDFIQLIZTQHA-MJGOQNOKSA-N	361.534	2.091	10	10	FECE	
Cc1nnc(N2CC=CCC2)n1Cc1ccc(N2CCOCC2)c(F)c1	1612555887	QXYOPHCALHBEGH-UHFFFAOYSA-N	357.433	2.377	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)N2CCN(CC3CC3)CC2)N(C)C)cc1	1565452403	CEEOWGGBBHHUBV-HXUWFJFHSA-N	373.545	2.093	10	10	FECE	
Cn1cc(C(=O)N2CCC(N=[N+]=[N-])CC2)nc1CNC(=O)OC(C)(C)C	2124539525	WPYAESUSMVVSRC-UHFFFAOYSA-N	363.422	2.360	10	10	FECE	
COc1ccc(N2CCCN(c3nnc(C)n3CCCCCO)CC2)cc1	1768703158	DHDOFVDFWMPNRZ-UHFFFAOYSA-N	373.501	2.474	10	10	FECE	
Cc1cccc(C(=O)NC2CCN(C(=O)c3cc(O)c(O)c(O)c3)CC2)c1	169870066	JQHGGWHLNOQRDW-UHFFFAOYSA-N	370.405	2.146	10	10	FECE	
C[C@@H](NC[C@@H](O)CN1CCCCC1)c1ccc(N2CCC(O)CC2)cc1	151249828	UBAZZWBVJJHRSC-DYESRHJHSA-N	361.530	2.145	10	10	FECE	
CN(C)c1ccc([C@@H](NC(=O)CCCCC(=O)O)c2nccn2C)cc1	1866101172	KCLDFXDQDILMBC-GOSISDBHSA-N	358.442	2.337	10	10	FECE	
COc1ccc(N2C[C@@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1	2131050444	VTHZOZYPWWDNSB-RYUDHWBXSA-N	367.402	2.068	10	10	FECE	
COC(=O)C1(NCc2ccc(N(C)C)cc2)CN(C(=O)OC(C)(C)C)C1	1913937254	GHCZXFPYRKZYHE-UHFFFAOYSA-N	363.458	2.005	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCc3ccc(F)cc32)=C[C@H]1O	2136288249	NCMKHAKWCCWWIH-GDBMZVCRSA-N	362.401	2.299	10	10	FECE	
O=C(OCc1ccccc1)N1CC(Cc2cccc(O)c2O)(C(=O)O)C1	1951961750	KCYYNMMWYHGVPY-UHFFFAOYSA-N	357.362	2.364	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNCc3ccc(O)cc3O)O2)C1	690603917	PXLXBSXCUWRODE-HNNXBMFYSA-N	364.442	2.356	10	10	FECE	
O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1ccc(O)c(O)c1	391110173	YIRUPTFFUBPSQM-KRWDZBQOSA-N	356.422	2.119	10	10	FECE	
CN(CCCN(C)C(=O)OC(C)(C)C)C(=O)COc1ccc(N)cc1	2044688369	GJGSYUFHOQHPNK-UHFFFAOYSA-N	351.447	2.363	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)O	2078702708	JSWHTTFAXXZVDG-CQSZACIVSA-N	350.415	2.079	10	10	FECE	
C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)CCc1ccc(N)cc1	2106699720	PMJVTHZEXLWDMF-BXUZGUMPSA-N	357.376	2.259	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1CC(=O)N(C)c1ccc(N)cc1	2106682812	XTKCJTVADIJXFP-HIFRSBDPSA-N	362.474	2.219	10	10	FECE	
CCN(C[C@H](C)NC(=O)OC(C)(C)C)c1cc2c(cc1N)OCC(=O)N2	2106835120	AWYYOYUMXODVGC-NSHDSACASA-N	364.446	2.339	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCCc3c(N)cccc32)=C[C@@H]1O	2200986412	AYQZJVFJQWREAD-WBVHZDCISA-N	373.453	2.132	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cccc(O)c2O)C[C@@H](F)C1	2219127748	WRXBTVYKZWUHPD-MNOVXSKESA-N	354.378	2.175	10	10	FECE	
COc1cccc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)c1OC	2297327035	GPFFMRJBQOQJPA-UHFFFAOYSA-N	352.346	2.370	10	10	FECE	
C[C@@H]1CCCN(C(=O)C=Cc2cn(C)c(=O)n(C)c2=O)c2ccccc21	2308605274	YMHRWLMUNBQZSH-CQSZACIVSA-N	353.422	2.028	10	10	FECE	
COCCCN1C(=O)C(=Cc2ccc(N3CCOCC3)o2)SC1=S	2314646606	FNWODNUXRFCTBK-UHFFFAOYSA-N	368.480	2.354	10	10	FECE	
COc1ccc(N2CCC(NC(=O)[C@H]3CCCN3C(=O)C3CC3)CC2)cc1	68297125	XPDJCENCOAVFIR-LJQANCHMSA-N	371.481	2.181	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)cc1	178563694	GJVRZJOIZTUMGN-IBGZPJMESA-N	357.410	2.459	10	10	FECE	
COCC(=O)N1CCN(C(=O)c2cc(C)n(-c3cccc(F)c3)c2C)CC1	131545920	MVVNPZDOLDWMOV-UHFFFAOYSA-N	373.428	2.164	10	10	FECE	
C[C@@H]1CN(Cc2ccccc2)CCN1C[C@@H](O)COc1ccc(N)cc1	382689830	QAGNEPMBKMCTKC-YLJYHZDGSA-N	355.482	2.215	10	10	FECE	
CCN[C@@H]1C(=O)Nc2cc(N(C)[C@H]3CCOC3)c(Br)cc21	250740692	VEBGWOBDAMALFY-XPTSAGLGSA-N	354.248	2.277	10	10	FECE	
CN(C)c1ccc(CN(C[C@H]2CCCN(S(C)(=O)=O)C2)C2CC2)cc1	267928584	KWSXMYPTEVQTAP-QGZVFWFLSA-N	365.543	2.389	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2c(C)nn(C)c2C)cc1	269961712	QUVVXQUQKAJSHR-UHFFFAOYSA-N	357.458	2.138	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)c1	366604673	ANJYIQBEXGQTQJ-IEBWSBKVSA-N	367.449	2.132	10	10	FECE	
C[C@H]1COCC[C@@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	277373442	FVNHTJNAVDWDSZ-KXBFYZLASA-N	361.486	2.120	10	10	FECE	
CCOc1ccc(O)c(CN2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)c1	271115792	BOVLQJNXONOCGB-GJZGRUSLSA-N	350.459	2.154	10	10	FECE	
COC(=O)COc1cccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1	280483507	HNZOLIJVUWZNKX-GFCCVEGCSA-N	374.393	2.402	10	10	FECE	
COC(=O)c1cccc(C(=O)NCc2cc(Br)ccc2O)n1	804737430	QVQKFZRTSZGHAE-UHFFFAOYSA-N	365.183	2.266	10	10	FECE	
Cc1csc([C@H](C)NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)n1	804502498	TTYJPWKCGNVTJN-ZDUSSCGKSA-N	360.483	2.353	10	10	FECE	
CN1CCCc2cc(CNC(=O)C(=O)N3C[C@H]4CCCC[C@H]4C3)ccc21	803685459	AUXLVUNEBDUQET-HDICACEKSA-N	355.482	2.334	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H](CN)c1ccc(F)cc1	826030475	CRQGUZGBXWPDBW-HXUWFJFHSA-N	371.456	2.363	10	10	FECE	
Cn1nccc1[C@H]1COCCN1Cc1ccc(Br)cc1O	826142571	FQRSUVMHWVYYCQ-CQSZACIVSA-N	352.232	2.462	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(N2CCOCC2)cc1	834664595	FHRNNZCYABYBKB-LEUOFYLZSA-N	371.481	2.005	10	10	FECE	
CCc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)no1	740491549	MIESYZCBZDBLJE-HNNXBMFYSA-N	373.409	2.089	10	10	FECE	
CC(C)(C)OC(=O)[C@]1(C(=O)NCc2ccc3cccnc3c2O)CCCO1	911261134	AJXXRVQMNAAGFG-HXUWFJFHSA-N	372.421	2.448	10	10	FECE	
O=C(NCc1c(O)cccc1F)[C@H](c1ccccc1F)N1CCOCC1	928704790	CSWGRWBSDPJTBH-SFHVURJKSA-N	362.376	2.360	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@@](C)(O)c3ccco3)C2)cc1	852454484	PDVRCVFTNDRYEB-IFXJQAMLSA-N	359.426	2.074	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	853748854	JQYSMSDGJYGVNQ-SFHVURJKSA-N	366.465	2.448	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCOCC4(CCC4)C3)C2)cc1	854299804	RRZGUZQBAGJYEW-INIZCTEOSA-N	359.470	2.486	10	10	FECE	
C[C@@H](NS(=O)(=O)[C@H]1COC(C)(C)C1)c1ccc(N2CCOCC2)cc1	858917907	GIEZTEMGAXGVAT-RHSMWYFYSA-N	368.499	2.071	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCN(C(C)=O)C[C@H]2C)cc1F	763609498	GNBUOAOJANTEPC-CQSZACIVSA-N	364.465	2.434	10	10	FECE	
O=C1OCCN1C[C@H]1CCN(Cc2c(O)cccc2Br)C1	862381968	LYCDOHHVSPHXKP-NSHDSACASA-N	355.232	2.429	10	10	FECE	
C[C@H]1CC[C@@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CN1	861805676	JBKXTHFDNQORSJ-DOTOQJQBSA-N	373.497	2.310	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)c1ccnc(O[C@@H]2CCOC2)c1	862027012	GVLPFDQQKORDAV-MRXNPFEDSA-N	365.389	2.433	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N[C@@H]1C[C@H]2CCC[C@@H]21	1119799545	XKKXBGNYDRPDGZ-BPQIPLTHSA-N	373.522	2.161	10	10	FECE	
Cn1nc(O)c2c(C(=O)N3Cc4cccc(O)c4C3)cc(C3CC3)nc21	871198591	KASKKGDQYNRWAF-UHFFFAOYSA-N	350.378	2.413	10	10	FECE	
CN(C)c1ccc(CN2CC(S(=O)(=O)N3CCc4ccccc43)C2)cc1	779623380	BRMSVTLGEDELOX-UHFFFAOYSA-N	371.506	2.329	10	10	FECE	
Cc1cc(C(=O)CN2C[C@@H]3C[C@@]3(CO)C2)c(C)n1-c1ccc2c(c1)OCO2	782607136	SYQIAVQVPGDHKV-BTYIYWSLSA-N	368.433	2.320	10	10	FECE	
COC(=O)c1c(CN2CC[C@H](Cn3ccnn3)C2)c2cc(F)ccc2n1C	895227512	CCISDRXLQKCYQL-ZDUSSCGKSA-N	371.416	2.218	10	10	FECE	
COc1cc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])ccc1O	797820436	XRYPYAXZPOELMQ-UHFFFAOYSA-N	352.368	2.293	10	10	FECE	
CN1CCc2cc([C@H](CN)N3CC[C@H](NC(=O)OC(C)(C)C)C3)ccc21	1881145643	KFXHSEBGVOREIE-WMZOPIPTSA-N	360.502	2.278	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@@H](NC(N)=O)c1cccs1	1157102148	JHTIMQSNGFFHDM-LLVKDONJSA-N	368.455	2.355	10	10	FECE	
CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1c(F)cc(CN)cc1F	711769880	AMIKNIYNAXSHMS-FQEVSTJZSA-N	361.436	2.497	10	10	FECE	
O=C1CC[C@]2(C(=O)NCc3ccc(O)cc3O)Sc3ccccc3N12	1299570465	JBEICCCLBZUQQT-GOSISDBHSA-N	356.403	2.343	10	10	FECE	
Cc1cc(NC(=O)CN(C)C(=O)c2cc3cc(O)c(O)cc3s2)no1	1629966258	MNBUXLKZEDCAAW-UHFFFAOYSA-N	361.379	2.320	10	10	FECE	
CC(C)(C)OC(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)NCCCCN=[N+]=[N-]	2124510878	CDIHBFKBGMVFKF-ZDUSSCGKSA-N	363.422	2.278	10	10	FECE	
Cc1nnc(N2C[C@@H]3CCC[C@H](C2)C3O)n1Cc1ccc(N(C)C)c(F)c1	1726371545	VFQQVZCQPARVIG-MCPYQZEQSA-N	373.476	2.437	10	10	FECE	
Cn1cc(C2=NO[C@@H](C(=O)NCc3c(O)ccc4ccccc34)C2)cn1	1635968610	DZDZPEAWSZGRGI-GOSISDBHSA-N	350.378	2.088	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@](F)(CNCc2cccc(O)c2O)C1	2126041404	YQMGRSDIUPLDOJ-SFHVURJKSA-N	370.421	2.163	10	10	FECE	
COCCN(C)CCn1c(C2CC2)nnc1N(C)Cc1ccccc1O	1769790077	WGRZUBDGFHGKEF-UHFFFAOYSA-N	359.474	2.076	10	10	FECE	
C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc(O)c(O)c(O)c1	2132404007	OJSCNWSEZCUKAF-CMPLNLGQSA-N	366.414	2.321	10	10	FECE	
Cc1c(OCC(=O)Nc2ccccn2)c(=O)ccn1Cc1ccc(N)cc1	1857920085	NMHCTPDJFXFKPA-UHFFFAOYSA-N	364.405	2.200	10	10	FECE	
COc1ccc(N2[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]2COC3)c(N)c1	2139771008	ROHBIQKUCUZAER-KBPBESRZSA-N	363.458	2.492	10	10	FECE	
CC(C)(C)OC(=O)N[C@](C)(C(=O)O)c1ccc(N2CCOCC2)cc1	1951781221	CDUAVEHIMXNUKX-SFHVURJKSA-N	350.415	2.348	10	10	FECE	
COc1ccc(CN[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@@H]3CCO[C@H]32)c(O)c1	311309700	XIEWPKIUIWRKIZ-RKTXRCNFSA-N	364.442	2.171	10	10	FECE	
Cc1cnn(Cc2cc([N+](=O)[O-])ccc2O)c1I	2070206121	IXMCKCRTOCZGRT-UHFFFAOYSA-N	359.123	2.458	10	10	FECE	
C[C@@H](CN(C)CC(=O)N(C)c1ccc(N)cc1)NC(=O)OC(C)(C)C	2044598568	TVRACRRJRCRSAM-ZDUSSCGKSA-N	350.463	2.077	10	10	FECE	
Cc1cccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c1O	2052720337	JWRBZPMKUZYODX-HOTGVXAUSA-N	350.459	2.408	10	10	FECE	
COC(C)(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2060614063	YAYYSLHWYRFNKW-NWDGAFQWSA-N	355.439	2.464	10	10	FECE	
C[C@H](c1ccccc1O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O	2081031268	QGJUJVMLFUOEBC-TZMCWYRMSA-N	350.415	2.459	10	10	FECE	
CN(CC(=O)Nc1ccc(N)cc1)[C@H](CNC(=O)OC(C)(C)C)C1CC1	2106757332	OERZHRZIEFPHFU-MRXNPFEDSA-N	362.474	2.442	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(CC(=O)Nc2ccc(N)cc2)C1	2106750222	IUCBQUQNRUIDQD-KBPBESRZSA-N	362.474	2.442	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1c1cc2c(cc1N)OCC(=O)N2	2106878548	QFZIEZXJFUWLGQ-MNOVXSKESA-N	362.430	2.092	10	10	FECE	
CC(C)(C)OC(=O)N[C@@](C)(C(=O)NCCc1ccc(O)c(O)c1)C(F)F	2124281894	ZPDAUTILNYNBNN-QGZVFWFLSA-N	374.384	2.305	10	10	FECE	
Cn1ncc(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])c1CNC(=O)OC(C)(C)C	2225795573	OWFQGEKXCNIEGE-VXGBXAGGSA-N	363.422	2.406	10	10	FECE	
O=C1NC(=S)N(C2CC2)C(=O)C1=CNc1cccc(C(F)(F)F)c1	2296110660	URXPUCKQUBJZFG-UHFFFAOYSA-N	355.341	2.407	10	10	FECE	
COc1ccc(CN2C(=O)NC(=O)C(=Cc3ccccc3OC)C2=O)cc1	2297327207	VTBKCZVHGPHBEE-UHFFFAOYSA-N	366.373	2.366	10	10	FECE	
C[C@@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)c1ccc(O)cc1O	2310455623	DMOVVTPIJYNIHC-KCPJHIHWSA-N	352.431	2.119	10	10	FECE	
Cn1nccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2333612856	CKZLBHSKDBGPBG-NTZNESFSSA-N	363.422	2.334	10	10	FECE	
CC(C)(C)OC(=O)NOC(C)(C)C(=O)N1CCc2cc(O)c(O)cc2C1	2341193519	FABXZJXFIJIPCJ-UHFFFAOYSA-N	366.414	2.217	10	10	FECE	
C[C@@H](NC[C@@H]1COC2(CCOCC2)O1)c1ccc(N2CCOCC2)cc1	179975881	ACFDVLBOUFXPJK-VQIMIIECSA-N	362.470	2.096	10	10	FECE	
CN1CCN(C(=O)c2ccccc2NC(=O)CCc2ccc(N)cc2)CC1	66153417	YOOUVRFHKZEYOW-UHFFFAOYSA-N	366.465	2.228	10	10	FECE	
Cc1cc2n(n1)CCCN2C(=O)CCC(=O)NCc1ccc(N(C)C)cc1	21163248	RZDIVSVTKFKUDG-UHFFFAOYSA-N	369.469	2.091	10	10	FECE	
C[C@@H](NCCCCCS(C)(=O)=O)c1ccc(N2CCOCC2)cc1	186874315	ILZDGQYJVPJYPE-MRXNPFEDSA-N	354.516	2.389	10	10	FECE	
Cc1ccc(C(=O)N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)c(O)c1O	182447678	AKNYLCGFXGIRGF-UHFFFAOYSA-N	372.469	2.316	10	10	FECE	
CC[C@H](c1cc(Br)ccc1O)N1CCN(CC(=O)O)CC1	86730731	KBHZJTCMPFCWTH-CYBMUJFWSA-N	357.248	2.308	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cc1	248666685	WUJKIFMFDKJYQV-IRXDYDNUSA-N	362.518	2.129	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)NC3CCCC3)CC2)cc1	240790417	AYKLTFOEBRNYTC-OALUTQOASA-N	371.481	2.039	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCSC4(CCOCC4)C3)cc2N1	373501398	OZSIZOFZQDFNCU-UHFFFAOYSA-N	365.411	2.028	10	10	FECE	
COc1ccc(O)c(CNC(=O)N[C@@H]2CCN(c3ccccc3OC)C2)c1	370405211	JEBNKQRGUOWNTD-OAHLLOKOSA-N	371.437	2.488	10	10	FECE	
CC(C)c1nn(C)cc1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C	280299539	ISLIQXCXHGAKKC-UHFFFAOYSA-N	369.469	2.181	10	10	FECE	
CN(C)S(=O)(=O)[C@H]1CCCN(Cc2cc(Cl)cc(F)c2O)C1	809688225	FDIYWVKLEDLNSV-LBPRGKRZSA-N	350.843	2.041	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CC[C@H]4C[C@H]4C3)nc12	817202266	PTFKZCPIACZTCG-TUAOUCFPSA-N	359.382	2.091	10	10	FECE	
CO[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	829255983	YBNHDTXGKCUXQC-GOEBONIOSA-N	350.434	2.218	10	10	FECE	
CCOC(=O)CN(CC(=O)Nc1ccccc1OC)Cc1ccccc1O	823582126	YWAVSEITVGZYKH-UHFFFAOYSA-N	372.421	2.405	10	10	FECE	
CO[C@@H](CS(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CCOCC1	827473652	KTJUZHDTNJFJLH-KSSFIOAISA-N	370.515	2.175	10	10	FECE	
CC[C@@H]1[C@H](CO)CCN1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	824681573	LZMUPADTYDEEKY-JTDSTZFVSA-N	361.486	2.324	10	10	FECE	
CCCn1cc([C@@H](C)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)nn1	903095150	UQFLWKYYQRVVTC-OAHLLOKOSA-N	370.501	2.241	10	10	FECE	
CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)/C=C/c1ccc(O)c(O)c1	856410188	HJGCSVZMNXFCSQ-BVBGJJFLSA-N	360.454	2.213	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC[C@@H]1CC[C@H](C(N)=O)O1	864950355	STDRPGMKODIKOI-ZWKOTPCHSA-N	361.486	2.303	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3C3CCOCC3)C2)cc1	868763109	ZMDQLNQVAIAPMC-ZYSHUDEJSA-N	359.470	2.388	10	10	FECE	
Nc1ccccc1S(=O)(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	767784902	RFIRBNDSKKDAIE-HNNXBMFYSA-N	362.451	2.344	10	10	FECE	
COc1ccc(O)c(CNC(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)c1	772464564	QQONFVBUDZOMNM-CYBMUJFWSA-N	355.394	2.326	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CNCc2nccn2CC(F)(F)F)c1O	775002536	HODIYYMJBOBLQL-UHFFFAOYSA-N	360.292	2.358	10	10	FECE	
C[C@H](NC(=O)[C@]1(CO)CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O	1877570881	TUMJRNLAEKIJQT-ORAYPTAESA-N	364.442	2.189	10	10	FECE	
COCCN(Cc1ccnn1C)C(=O)NCc1ccc(N2CCCC2)cc1	786966033	KEUREHWAHMIDKP-UHFFFAOYSA-N	371.485	2.379	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@]2(C1)CC2(F)F	1326694609	JMPHXJZUYJDLSR-GOSISDBHSA-N	365.424	2.325	10	10	FECE	
COc1ccc(Br)c(CN(C)[C@H](C)C[S@](C)=O)c1O	1964620773	ZYDULFZZICMHQJ-HOGDKLEQSA-N	350.278	2.362	10	10	FECE	
O=C(NCc1cccc(O)c1O)[C@@H]1Cc2cc(Br)ccc2O1	1176566246	SFWIRDSBXKFWLJ-AWEZNQCLSA-N	364.195	2.480	10	10	FECE	
COc1ccc([C@@H](C)NC(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1F	1325392848	PGANIOSIPFIMEC-CYBMUJFWSA-N	373.428	2.394	10	10	FECE	
C[C@H]1OCCN(Cc2cc(Cl)cc(Br)c2O)[C@H]1C(=O)O	708076565	XBKUWHPBTNDFSM-RDDDGLTNSA-N	364.623	2.482	10	10	FECE	
CC[C@H](C)[C@@](C)(O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1256232427	OTCGXHFJSCPRJT-QSFXBCCZSA-N	364.534	2.452	10	10	FECE	
CC(C)C[C@@H](O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1256237199	UCYCTGXIYXJNCY-MSOLQXFVSA-N	350.507	2.062	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC(c2ccon2)CC1	1330952911	XVOADJVRRCYJQW-UHFFFAOYSA-N	370.453	2.071	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CCc3nc4cccnc4[nH]3)C2)cc1	1261747957	DCAJHFWVLYAELA-CQSZACIVSA-N	365.437	2.294	10	10	FECE	
C[C@@H]1C[C@H]2CC[C@H](C(=O)NCc3ccc(N4CCN(C)CC4)cc3)CN2C1	1528846894	CJDDVCXWIAIYRK-SLYNCCJLSA-N	370.541	2.175	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@H]1CCCN1c1ncnc2ccccc12	1558174161	GLAHTUWFVIZDGR-QGZVFWFLSA-N	364.405	2.326	10	10	FECE	
CCOC(OCC)[C@@H](C)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	1636853849	LNXYHGXCFPVOET-HUUCEWRRSA-N	365.474	2.361	10	10	FECE	
CCOC(=O)[C@@H]1C[C@H]1CN(CC(=O)OC)Cc1cc(Cl)ccc1O	1642071612	BQVBYOKQCGTSBF-SMDDNHRTSA-N	355.818	2.220	10	10	FECE	
COC(=O)/C=C\c1ccc(N(C)C[C@@H](O)c2cccnc2)c([N+](=O)[O-])c1	1655832641	NRCWBKFZHGZRMX-BQLWYNFJSA-N	357.366	2.346	10	10	FECE	
CN(C)C(=O)N1CCc2c(cncc2C(=O)N2CCc3ccccc32)C1	169797017	ASPAIJVSYSDDAS-UHFFFAOYSA-N	350.422	2.324	10	10	FECE	
COc1ccc(N(Cc2cccs2)C[C@H](O)CN2CCOCC2)cc1	157305026	XKPNQPYLDWDOSS-QGZVFWFLSA-N	362.495	2.456	10	10	FECE	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1O	208522201	PCJUOGUJBLAUJQ-FLIBITNWSA-N	372.377	2.371	10	10	FECE	
C=C=CCCNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136241158	VUVNVYWWJUUVGY-AWEZNQCLSA-N	362.426	2.381	10	10	FECE	
Nc1ccc(CS(=O)(=O)N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1	687233464	VFDPVBSXXDGGKR-BGYRXZFFSA-N	371.506	2.447	10	10	FECE	
C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1[C@@H](CN)c1ccc(N(C)C)cc1	2194745260	QMSBVGMFUJXYEC-INWMFGNUSA-N	372.435	2.284	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NC(=O)Nc1ccc(N)cc1	2044245934	PFPGDECMXXJJMG-UONOGXRCSA-N	350.419	2.073	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cc(N)ccc2O)CCCO1	2044615240	MMVQNIJYOAPVFW-OAHLLOKOSA-N	351.447	2.090	10	10	FECE	
CCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CN=[N+]=[N-])CC1	2060634970	GDLSLPORZYKXTJ-CYBMUJFWSA-N	355.439	2.465	10	10	FECE	
CN1CCN(C(=O)C2=C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)c2ccccc21	2200998326	KCXFUSXPCHAYSW-YOEHRIQHSA-N	373.453	2.054	10	10	FECE	
COCC[C@@]1(C(=O)NCCCN=[N+]=[N-])CCN(C(=O)OC(C)(C)C)C1	2082284090	CQQACNYTLGSEFE-INIZCTEOSA-N	355.439	2.467	10	10	FECE	
COc1cc(OC)c(N(CCO)CCNC(=O)OC(C)(C)C)cc1OC	2273672968	WWMMKXAVNAPEJN-UHFFFAOYSA-N	370.446	2.036	10	10	FECE	
O=C(O)CCCN1C(=O)C(=Cc2ccc(C(=O)O)cc2)SC1=S	2314717814	YBFQASPKTIDUGC-UHFFFAOYSA-N	351.405	2.451	10	10	FECE	
CCS(=O)(=O)NCCCNC(=O)c1cc(C)n(-c2ccccc2)c1C	65323735	WPJFVKSJIPSQJX-UHFFFAOYSA-N	363.483	2.153	10	10	FECE	
CCC1(CC)CN(C(=O)c2ccccc2S(=O)(=O)CC)CC[S@@]1=O	186729966	CXGHROTZDLMPSF-QHCPKHFHSA-N	371.524	2.244	10	10	FECE	
CCc1nonc1NC(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S	38594551	KIHWPBKCGOSTDY-WQLSENKSSA-N	374.447	2.472	10	10	FECE	
CN[C@H]1C(=O)Nc2cc(N3CCC[C@@](C)(O)C3)c(Br)cc21	222418508	RMCPBWOULWYMOG-UKRRQHHQSA-N	354.248	2.013	10	10	FECE	
CC(=O)N1CC[C@@H](NC(=O)c2cccc(O)c2O)c2ccc(F)cc2C1	193164853	UWTMWYGHWRFCCT-MRXNPFEDSA-N	358.369	2.460	10	10	FECE	
CCN1CCN(C2=NC(=O)/C(=C\c3ccc(OC)cc3OC)S2)CC1	96594483	VEHGVJOOAMNQMB-LFIBNONCSA-N	361.467	2.312	10	10	FECE	
CCn1nccc1/C=C\C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	255160376	KZHJTQZSHAOBIQ-XQRVVYSFSA-N	372.444	2.333	10	10	FECE	
CCN[C@@H]1C(=O)Nc2cc(N(C)CC[C@H](C)O)c(Br)cc21	253037861	YQCYBRCBPZETDO-XPTSAGLGSA-N	356.264	2.259	10	10	FECE	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2cncnc2)cc1	279268645	UZUGIJQDZJJQEC-IBGZPJMESA-N	354.454	2.293	10	10	FECE	
Cn1ccnc1[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1	373055219	DWAQNQFWCSLULU-NSHDSACASA-N	357.370	2.043	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1	283992215	JPHDHOSODPNFSS-VQIMIIECSA-N	374.529	2.090	10	10	FECE	
Cc1cc(CC(=O)NC[C@@](C)(O)CO)c(C)n1-c1ccc(Cl)cc1	801976298	UJXWLAAZKHXCIU-GOSISDBHSA-N	350.846	2.150	10	10	FECE	
COC(=O)c1cnc(SC[C@H](O)CN(C)C(=O)OC(C)(C)C)s1	818172679	NVIMVELHVUTNFK-SECBINFHSA-N	362.473	2.250	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCn2ccnc2)C1	583909907	ROJXOYDLWGNZRP-UHFFFAOYSA-N	365.481	2.421	10	10	FECE	
CC(=O)C(=O)COC(=O)c1nn(-c2ccc(Cl)c(F)c2)c2c1CCC2	829511725	ONUCRDKOGCDLLR-UHFFFAOYSA-N	364.760	2.468	10	10	FECE	
CO[C@@]1(CN[C@H](C)c2cccc(C(F)(F)F)c2O)CCS(=O)(=O)C1	903363680	QSGJVCIISRNVHB-QMTHXVAHSA-N	367.389	2.265	10	10	FECE	
CCCn1cc([C@@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)nn1	902759454	XWEGWFFSTRFGOE-WBVHZDCISA-N	370.501	2.241	10	10	FECE	
CNS(=O)(=O)CCCOC(=O)c1ccc(-n2c(C)ccc2C)cc1	735967157	AOMCVXKORAYDTH-UHFFFAOYSA-N	350.440	2.190	10	10	FECE	
C[C@H](CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)NC(N)=O	912110150	NYHGRXBFMTUCKI-LLVKDONJSA-N	360.380	2.090	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)N[C@H](C[C@@H]1CCCO1)C(F)(F)F	847246560	UXSJPIHXJFSISQ-SMDDNHRTSA-N	362.348	2.440	10	10	FECE	
COC(=O)/C=C/c1ccc(N(C)Cc2nnc3ccccn23)c([N+](=O)[O-])c1	749391890	HKZBAMGGQXMPEK-VQHVLOKHSA-N	367.365	2.460	10	10	FECE	
COc1cc(Br)cc([C@H](C)NCC[C@]2(O)CCOC2)c1O	848555161	MEPLSLRKKSKJMT-BONVTDFDSA-N	360.248	2.355	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)NC[C@]3(OCCO)CCOC3)c2C)c1	855406414	WWQUEBZWAIHHGF-OAQYLSRUSA-N	372.465	2.300	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)N3CCCCC3)C2)cc1	852184893	INHVGGCJNRXIIG-SJORKVTESA-N	360.502	2.448	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cnn(C)c3C)C2)cc1	852451200	FYUHAEOQTLDWML-INIZCTEOSA-N	357.458	2.157	10	10	FECE	
COC(=O)[C@@H]1C[C@H]1[C@@H](C)NCc1cc(F)c(N2CCOCC2)c(F)c1	850322799	IJSZVFLYBBXYJI-KWCYVHTRSA-N	354.397	2.089	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)c3ccccc3OC)C2)cc1	855228228	XXDBOKYGVSKVQL-CQSZACIVSA-N	354.406	2.282	10	10	FECE	
Cc1cc(CNC(=S)NCc2ccc(N3CCC(CO)CC3)cc2)no1	865230950	YMSKMILAFKLDCF-UHFFFAOYSA-N	374.510	2.356	10	10	FECE	
Cc1cc(O)c(CN[C@H]2CCN(c3ccc4nncn4n3)C2)cc1Cl	862481411	GFMVPRRNRIIVGA-ZDUSSCGKSA-N	358.833	2.160	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)CN3CC[C@H](NC(N)=O)C3)c2C)c1	762924777	GIERVPFVZIVJGG-INIZCTEOSA-N	354.454	2.328	10	10	FECE	
CCOC1CC2(C1)C[C@@H]2C(=O)NCc1ccc(N2CCC(O)CC2)cc1	869294718	DUMJDAJUJJTDSQ-OBXNSHGQSA-N	358.482	2.469	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCn4cc(C)nc4C3)C2)cc1	862035635	ZZLGVMCYFBCJEV-IAGOWNOFSA-N	368.481	2.405	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	868888480	BOYZXWMZZNUIPO-WQVCFCJDSA-N	374.403	2.455	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCN(c4cccc(F)c4)CC3)cc2N1	866212669	YZCVYGCGQPNICP-UHFFFAOYSA-N	372.356	2.391	10	10	FECE	
CC(C)n1ncc2cc(/C=C/C(=O)NCc3ccc(O)c(O)c3)c(=O)[nH]c21	778918377	PLWUVRPVECMNOO-GQCTYLIASA-N	368.393	2.046	10	10	FECE	
COc1ccc(CCC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cn1	898983462	UMQSGYYLZKEGPK-UHFFFAOYSA-N	369.465	2.300	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H](N2CCOCC2)C1	897874993	BPCGTANIUYGYKL-CYBMUJFWSA-N	362.451	2.249	10	10	FECE	
C[C@H](NC(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)c1ccc(N(C)C)cc1	790833278	BUSBKKIOIMKYPM-QRTARXTBSA-N	351.491	2.271	10	10	FECE	
COC(=O)[C@@]12CCOC[C@@H]1CN(Cc1cccc(Br)c1O)C2	793346073	AMKPTFVVKZOSEG-BLLLJJGKSA-N	370.243	2.166	10	10	FECE	
Cc1nsc(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1	790061565	XHCDADKIPIVXNY-UHFFFAOYSA-N	371.510	2.309	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CC[C@H]3CC[C@H]2OC3)cc1	1333263307	CVNAHLUOJYHOTN-YTQUADARSA-N	373.497	2.223	10	10	FECE	
CN1CCCc2cc(CNC(=O)C(=O)N3CC(CC(F)(F)F)C3)ccc21	1341105323	UOHVDELAJHRSPI-UHFFFAOYSA-N	369.387	2.096	10	10	FECE	
CO[C@@]1(CNCc2ccc(N3CCN(C)CC3)c(F)c2)CCSC1	1262193924	ATQFCVAMWNATIZ-GOSISDBHSA-N	353.507	2.189	10	10	FECE	
Cc1sc(S(N)(=O)=O)cc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	1519890414	AWENXOQCMVPHAR-SNVBAGLBSA-N	367.496	2.261	10	10	FECE	
CN(C)C(=O)CCCn1c(C2CC2)nnc1N(C)Cc1ccccc1O	1516958753	BFFOAHJHCYZSDQ-UHFFFAOYSA-N	357.458	2.366	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]([C@H](F)C(=O)NCc2cccc(O)c2O)C1	1521851093	GNZGHAOWWZMTTP-OCCSQVGLSA-N	368.405	2.309	10	10	FECE	
O=C(NN1C(=O)c2ccccc2C1=O)c1cc2cc(O)c(O)cc2s1	1296101610	KHCQKGLMEIESQO-UHFFFAOYSA-N	354.343	2.254	10	10	FECE	
Cc1cccc(N2CCN(CCC(=O)NCc3c(O)cccc3O)CC2)c1	1472063203	GWOHFLCJQYOLFC-UHFFFAOYSA-N	369.465	2.235	10	10	FECE	
Cc1nc(CNC(=O)c2cc3cc(O)c(O)cc3s2)sc1C(N)=O	1557229223	LCQMSCSJFATAKI-UHFFFAOYSA-N	363.420	2.106	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCOC[C@@H]1OC	1498676085	WWJBCYRARFHPEO-WBVHZDCISA-N	360.458	2.234	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CCO[C@@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2124510616	YWSRGBDWNQULCW-KGLIPLIRSA-N	367.450	2.465	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCN(C)C(=O)c1ccncc1	1632681086	MRYMOQDFPIMXTD-CQSZACIVSA-N	371.437	2.092	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](CO)CN2CCCC2)c1	1641852869	PMHRLAZKEAYXSB-LJQANCHMSA-N	369.465	2.093	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@]3(Cl)C[C@H]4CC[C@H]3O4)CC2)cc1F	1595482038	JVXVBFOUTGABBK-MZMPZRCHSA-N	368.836	2.412	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2CN(CC(=O)Nc3ccc(N)cc3)C[C@@H]21	2132375149	NKMRWHYOCGZRMH-CJNGLKHVSA-N	360.458	2.149	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@@H](F)C1	2136254292	VVWWAMFREAUCDB-OLZOCXBDSA-N	368.405	2.104	10	10	FECE	
CO[C@](C)([C@@H](C)N)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	1952551505	WKQVAEIGVVKCSW-PZDGAKPMSA-N	354.447	2.286	10	10	FECE	
O=S1(=O)C[C@H]2C[C@H](NCc3ccc(Br)cc3O)C[C@H]2C1	1974482721	DKGFDRKZTFMPBZ-PJXYFTJBSA-N	360.273	2.068	10	10	FECE	
CN(Cc1nncn1C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2	312708404	SLBARCJVUJWRBP-UHFFFAOYSA-N	372.473	2.327	10	10	FECE	
CC[C@H](NC1[C@@H]2CS(=O)(=O)C[C@@H]12)c1cc(Br)ccc1O	2174644322	QCHVAYPXWNOGKT-UTUOFQBUSA-N	360.273	2.238	10	10	FECE	
CCN(c1ccc(CN)c(Br)c1F)[C@@H](C)CS(C)(=O)=O	2170425657	TXHVRNSLEOBXSF-VIFPVBQESA-N	367.284	2.306	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CN1CCO[C@H]2CCNC[C@H]21	2185534809	WWQYYBXLJWEWHJ-OLZOCXBDSA-N	361.667	2.371	10	10	FECE	
CO[C@H](CNC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1ccccc1O	2060387040	GWFOUGPMMUQYIF-SWLSCSKDSA-N	352.431	2.451	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C1	2060619182	JVPCLSJRYXVKAJ-CHWSQXEVSA-N	353.423	2.171	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@]1(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)CCOC1	2060633425	NLXCFNFGXRZIPK-WBMJQRKESA-N	353.423	2.314	10	10	FECE	
Cc1cccc(CNCc2cn(C)nc2I)c1O	2084057540	VPHGBXVXZMEGAH-UHFFFAOYSA-N	357.195	2.329	10	10	FECE	
Cc1cc(C=C2NC(=O)NC2=O)c(C)n1-c1ccc(N2CCOCC2)cc1	2294082062	LJSWEIZYRIMCAN-UHFFFAOYSA-N	366.421	2.111	10	10	FECE	
C[C@@H]1CN(C[C@H]2CCCN2C(=O)C=Cc2ccc(O)c(O)c2)C[C@@H](C)O1	2307986680	RUJDLOSTWJVUKP-BFYDXBDKSA-N	360.454	2.211	10	10	FECE	
CC[C@H]1CN(Cc2cccc(Br)c2O)CCN1C[C@@H](C)O	120731732	OWWTYNKFRNWNQG-OCCSQVGLSA-N	357.292	2.432	10	10	FECE	
COCCOC[C@H]1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1	81267016	TZVUYSCQLJRJED-QTWIXLPOSA-N	374.481	2.048	10	10	FECE	
COC(=O)CCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S	40867632	LEZMHGMCUSCRLM-XFXZXTDPSA-N	365.432	2.238	10	10	FECE	
NCc1cccc2c1N(S(=O)(=O)c1cccc3nsnc13)CCC2	624387843	CUGHFEMGDFLQKT-UHFFFAOYSA-N	360.464	2.292	10	10	FECE	
CCOC(=O)C1(COC)CCN(Cc2cc(OC)c(OC)cc2O)CC1	373490630	QQPAXNZBCQPESC-UHFFFAOYSA-N	367.442	2.201	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC[C@@H](O)CC3CCCC3)cc2)C1	818967858	DDPLOVBOIKYBOD-ICSRJNTNSA-N	359.514	2.419	10	10	FECE	
COC(=O)CN(Cc1cn(CC2CC2)nn1)Cc1cc(Cl)ccc1O	828293096	KLNXJQIPMAMBGI-UHFFFAOYSA-N	364.833	2.222	10	10	FECE	
CO[C@@H](CS(=O)(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C1CC1	827695109	QDOJUWATZMJISN-KSSFIOAISA-N	354.516	2.336	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc2c(n1)OCCO2	825033778	WBJOHBRNCCSKMW-UHFFFAOYSA-N	370.409	2.011	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)cc1	732234856	FIESSZSKZMABHT-QGZVFWFLSA-N	358.486	2.297	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H](c1cccs1)N1CCOCC1	588403300	CXSCVPJPDWNYIL-ZDTYVGOBSA-N	374.462	2.362	10	10	FECE	
CCOc1ccc(-n2ncc(C(=O)NCc3ccccc3O)c2C)nn1	746688605	HHRBYEBXYCVCGW-UHFFFAOYSA-N	353.382	2.005	10	10	FECE	
CC(C)[C@H](CNC(=O)NCc1cc(Br)ccc1O)C(=O)O	848590315	LMHGWEGBPDLCDJ-NSHDSACASA-N	359.220	2.311	10	10	FECE	
C[C@H](COC1CCCC1)CS(=O)(=O)Nc1ccc(O)c(C(=O)O)c1	844782700	FKIQGRHBYHJRQB-LLVKDONJSA-N	357.428	2.427	10	10	FECE	
O=C(N[C@@H]1CCCCNC1)C(=O)N(Cc1ccccc1O)C1CCCCC1	842240610	SNHDEFSEMJQDLE-QGZVFWFLSA-N	373.497	2.312	10	10	FECE	
COCCCN(Cc1c(O)cc(C)cc1Cl)[C@H]1CCS(=O)(=O)C1	840909222	CQQPNEPUAROEEL-ZDUSSCGKSA-N	361.891	2.380	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@](O)(C2CC2)C1	850653838	UJOPIYFRDYMIOD-NRFANRHFSA-N	374.481	2.284	10	10	FECE	
Cc1cc(C(=O)N2CCC[C@H]3CCNC(=O)[C@@H]32)c(C)n1-c1ccccn1	922463705	SYQIALGOQPHAHP-MAUKXSAKSA-N	352.438	2.230	10	10	FECE	
CC[C@H](C)N1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	854296106	BSLHGYINFVZCCK-DLBZAZTESA-N	360.502	2.400	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@]2(OC(C)C)CCOC2)c1	925747619	PHIRLYBRAJOOOV-SCLBCKFNSA-N	352.431	2.345	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2C[C@]34CCCC[C@]3(COC4)C2)cc1	852758778	FDPRDPRWZMTSPV-OYRHEFFESA-N	357.498	2.261	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN3C[C@H](C)CC[C@H]3C)CC2)cc1	754049311	IPOFQBSJIJAGJH-GGPKGHCWSA-N	361.530	2.299	10	10	FECE	
COC(=O)[C@@H]1OCC[C@@H]1NC(=O)c1cc(C)n(-c2ccccc2C)c1C	855447985	FFKUUNFVXOGDST-FUHWJXTLSA-N	356.422	2.463	10	10	FECE	
Cn1cnc2cncc(C(=O)NCc3ccc(N4CCSCC4)cc3)c21	864918483	HFCCYODTPLHTNS-UHFFFAOYSA-N	367.478	2.452	10	10	FECE	
COC(=O)[C@@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@@H](C)O1	895393942	QJCPIXFTQKNETC-PELKAZGASA-N	362.195	2.056	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)NC1CCC2(CC1)COC2	898520999	LSBJMWRITNNHKR-UHFFFAOYSA-N	360.454	2.206	10	10	FECE	
Cc1cc(C(=O)N2CCC[C@@](O)(CN(C)C)C2)c(C)n1-c1ccccn1	791254987	OSICCSRVXAADBM-HXUWFJFHSA-N	356.470	2.018	10	10	FECE	
O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cccc(O)c1O	790539415	QDZXDVTZOJIVKE-UHFFFAOYSA-N	368.433	2.451	10	10	FECE	
Cc1cc(C(=O)N2CCC(c3nc(O)n[nH]3)CC2)c(C)n1-c1ccccn1	798255224	XRCYYSHVMAGYGD-UHFFFAOYSA-N	366.425	2.333	10	10	FECE	
COc1ncc(Br)cc1CNC(=O)Cc1ccc(O)c(O)c1	1300941242	RXCRYVZFZRSWOS-UHFFFAOYSA-N	367.199	2.123	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)NC3Cc4ccccc4C3)cc2)CC1	1312458923	ZZAQYGUGEWWXEK-UHFFFAOYSA-N	364.493	2.405	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NCc2nnc(C)n2C)c1O	1327149902	HNOTYAAASFKCOK-MRVPVSSYSA-N	355.236	2.451	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@H]3[C@@H](C2)C3(F)F)cc1	1334016554	OCJDZFZFLUCSRE-RBVVOMGSSA-N	365.424	2.309	10	10	FECE	
CN(C)c1ccc(CN(C(=O)C(=O)NCC[C@H]2CC2(F)F)C2CC2)cc1	1347963370	FUZLXHUVKFZIDJ-AWEZNQCLSA-N	365.424	2.405	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)N3CC[C@@H]3[C@H]3CCCOC3)cc2)CC1	1346122782	AOFNAOGIQUZIKI-AZUAARDMSA-N	372.513	2.149	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@H]3CCCC[C@@H]3N)cc2F)CC1	1346105154	UHBSOHPSBRPGBQ-WMZOPIPTSA-N	362.493	2.101	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCO[C@](C)(C(F)F)C1	1347206248	CDFAQSXTDPEWJY-SFHVURJKSA-N	370.396	2.013	10	10	FECE	
C[C@]1(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1(F)F	1350682695	RWCOFDSUGPUULO-QGZVFWFLSA-N	351.397	2.065	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](c2nnc(S)n2C2CC2)C1	1543632102	KHSFWWQPGLGQBR-LBPRGKRZSA-N	374.466	2.262	10	10	FECE	
COc1ccc(N(C)CCN(C)C[C@@H](O)CC2(CO)CCCC2)cc1	1473609639	FQMRRYNYVAOCOT-SFHVURJKSA-N	350.503	2.367	10	10	FECE	
COc1ccc(C(=O)CCC(=O)NCc2cc(O)ccc2O)cc1OC	1558174159	GJBBIXUOTNIFCD-UHFFFAOYSA-N	359.378	2.394	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@H]2CCOC2)n1CCCCCO	1554174733	BFDKMNYFGDYEOH-INIZCTEOSA-N	360.458	2.287	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N3CC[C@@H](N=[N+]=[N-])C3)=NO2)C1	2124505787	PJIBTXNLVIBHIW-BZNIZROVSA-N	364.406	2.054	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2124533374	PAXOSJXVSIUMKM-KBPBESRZSA-N	367.450	2.417	10	10	FECE	
CO[C@H](C(=O)N1CCC(CN=[N+]=[N-])CC1)C1CN(C(=O)OC(C)(C)C)C1	2124531940	HFWJYQLLUJUXJA-AWEZNQCLSA-N	367.450	2.417	10	10	FECE	
C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@]12CCCC[C@@H]1C2	1643545460	HJFZMZHOHATOAD-JKDFXYPNSA-N	352.456	2.462	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)c1cc(S(N)(=O)=O)oc1Cl	1588184334	ZBWNDACVKVPZRR-UHFFFAOYSA-N	372.830	2.338	10	10	FECE	
Cc1cccc(N2C[C@H](C(=O)NCc3c(O)cccc3O)CC2=O)c1C	1597569713	RBUHJHOFBKVINI-CQSZACIVSA-N	354.406	2.384	10	10	FECE	
Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(N3CCC(O)CC3)cc1)CC2	160313380	QLZQQDZYFXXTPP-YOEHRIQHSA-N	355.486	2.213	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H]2[C@@H](C)OCCN2C(=O)OC(C)(C)C)c1O	2139750025	BVQALGOPFLXYGV-HIFRSBDPSA-N	364.442	2.341	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNCc2ccc(Cl)cc2O)C1	1942493385	GUOZIQRSXCDSGY-IUODEOHRSA-N	356.850	2.363	10	10	FECE	
CNC(=O)c1nn(Cc2cc(F)ccc2O)c(C(F)(F)F)c1[N+](=O)[O-]	2079174672	QGZYSHYCESEKHJ-UHFFFAOYSA-N	362.239	2.063	10	10	FECE	
CO[C@@H]1C[C@@H](CNCc2ccc(O)cc2O)N(C(=O)OC(C)(C)C)C1	2052354703	IGXMQMNYAXMATC-DZGCQCFKSA-N	352.431	2.212	10	10	FECE	
COC[C@]1(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)CCCN1C(=O)OC(C)(C)C	2060615017	JWGXCJPEMWAWRD-WBMJQRKESA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)NCC1(CN=[N+]=[N-])CC1	2060635140	IQBIZIJAMHJFGI-GFCCVEGCSA-N	353.423	2.219	10	10	FECE	
CN(C(=O)OC(C)(C)C)C1(C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)COC1	2060634010	UQOZOKNWRCPNKA-LBPRGKRZSA-N	353.423	2.314	10	10	FECE	
CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2060610861	MNEUJXFRXUHKBZ-CHWSQXEVSA-N	354.455	2.133	10	10	FECE	
CN(C[C@H](O)COc1ccc(N)cc1)C(C)(C)CNC(=O)OC(C)(C)C	2106689859	HMJVBRXAORRNCQ-HNNXBMFYSA-N	367.490	2.244	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(C)CCN(CC(=O)Nc2ccc(N)cc2)C1	2106751090	PMSNEBBFUVUSBQ-IBGZPJMESA-N	362.474	2.444	10	10	FECE	
CCN[C@H](c1ccccc1O)[C@H](NC(=O)OC(C)(C)C)c1cn(C)nn1	2110395843	AKLVEXQPHBGMFQ-HZPDHXFCSA-N	361.446	2.437	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@H](O)C(F)(F)C3)ccc(N)c2C1	2095746764	ZPTAFGFUGFEWDX-HNNXBMFYSA-N	369.412	2.378	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1c1ccc2c(c1)OC(F)(F)O2	2226701376	PQEJMYXMZJVUSN-VXGBXAGGSA-N	372.368	2.472	10	10	FECE	
COC(=O)[C@H](C)N1C(=O)C(=Cc2ccc(O)c([N+](=O)[O-])c2)SC1=S	2293202188	SEYRALOSZSLTAC-ZETCQYMHSA-N	368.392	2.063	10	10	FECE	
Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccc4c(c3)OCO4)C2=O)c1	2297317973	UEUYSDXOODRJPZ-UHFFFAOYSA-N	365.345	2.303	10	10	FECE	
CCOC(=O)CC[C@H](C)NC(=O)C=Cc1ccc(N2CCOCC2)cc1	2304650611	OFHHURDAWZMEKY-INIZCTEOSA-N	360.454	2.384	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1N(CC(=O)Nc1ccc(N)cc1)C2	2331527910	BZFPBDDQJGQMMB-SRCQZFHVSA-N	360.458	2.195	10	10	FECE	
COc1ccc(N2CCN(C(=O)COc3ccc(O)cc3)CC2)c(OC)c1	7275280	YLVXSYUHVRWASU-UHFFFAOYSA-N	372.421	2.137	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@@H](n2cncn2)C1	173993657	FUZLRKSXNYDEIY-GOSISDBHSA-N	354.458	2.425	10	10	FECE	
COc1ccc(N2CCCN(c3cc(=O)n4ccccc4n3)CC2)cc1	194119578	KUPHPLRWZXAYFE-UHFFFAOYSA-N	350.422	2.420	10	10	FECE	
CN(C)CCOc1cc(C(=O)NCc2ccc3c(c2)CCCN3C)ccn1	136730514	QEAVTUGLLJWATG-UHFFFAOYSA-N	368.481	2.334	10	10	FECE	
CN(C)c1ccc([C@@H](NN)c2nn(C)c(Cl)c2Br)cc1	2167050696	NJXCPBCIVFODMF-LLVKDONJSA-N	358.671	2.455	10	10	FECE	
CCOCc1nc([C@H](C)NC(=O)NCc2ccc(N(C)C)c(F)c2)no1	291360815	UNQHLHZDXQJPKY-NSHDSACASA-N	365.409	2.372	10	10	FECE	
C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCN(C2CCC2)C1	813629801	CELJKVXFUWSAMQ-LBPRGKRZSA-N	360.414	2.236	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)NCc3cscc3C)C2)cc1	829239088	OOBHGFDGCCPBAX-HNNXBMFYSA-N	373.478	2.076	10	10	FECE	
Cc1cc(N2CC[C@H](NC/C=C\c3ccc(N(C)C)cc3)C2=O)n(C)n1	835042505	JECADXGOIYQJRH-XFHJGTJQSA-N	353.470	2.203	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)NCCNC(=O)c1ccccc1	734522747	WAEWJFKSXPOKMB-UHFFFAOYSA-N	354.454	2.290	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)c3ccccc3F)C2)cc1	849416624	UEEHSJNQYACALI-CYBMUJFWSA-N	350.415	2.392	10	10	FECE	
CN(C)c1ccc([C@H](N)CNS(=O)(=O)C[C@H]2CCCC2(F)F)cc1	842785017	KKJIFZKUYGTBES-UKRRQHHQSA-N	361.458	2.107	10	10	FECE	
CN1CCN(c2ccc(CN[C@H]3CCCc4c3ccc(=O)n4C)cc2)CC1	846112719	XBXIUKLFVWHRAQ-FQEVSTJZSA-N	366.509	2.304	10	10	FECE	
COC(=O)[C@@H]1OCC[C@@H]1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C	855452402	KCVYNYIXPDDCAV-PKOBYXMFSA-N	356.422	2.083	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](C1CCOCC1)C1(CO)CCC1	855119435	DTXPIPUTLVRBCB-UABKOXTMSA-N	361.438	2.185	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3c[nH]nc3-c3cccnc3)C2)cc1	855232924	ZPQZSSHGNFHBDP-HNNXBMFYSA-N	363.421	2.489	10	10	FECE	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCCC12CC2	858641312	ABXAAPSFVQACSR-QGZVFWFLSA-N	362.495	2.118	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H]3C=C[C@H]4C[C@@H]3CO4)C2)cc1	923189310	WQPNEFHBDHUQHK-MKSNKDDYSA-N	357.454	2.164	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3CCCc4c3cnn4C)C2)cc1	851988431	NDGVRGHSZPIGCN-KDOFPFPSSA-N	369.469	2.384	10	10	FECE	
Cc1cc(N2CCC[C@H](NC(=O)NCc3ccc(N(C)C)cc3)C2)n(C)n1	766849046	NPKMBZALMFCUSV-KRWDZBQOSA-N	370.501	2.263	10	10	FECE	
COC(=O)[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)Cc1cccc(F)c1	779516537	XXANEIUGXQZQGY-DDJMYBDESA-N	373.380	2.398	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3CCOCC4(CC4)C3)CC2)cc1	782717579	DVSOTMRXNHPCFG-UHFFFAOYSA-N	359.470	2.486	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cccc(O)c3)cc2)C1	780903236	IIWXFWXZRGGANL-MRXNPFEDSA-N	353.422	2.024	10	10	FECE	
CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1	1157065284	KGYGPUGNTWWKFX-AWEZNQCLSA-N	350.415	2.156	10	10	FECE	
CS(=O)(=O)C1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCCC1	1157051578	QEXUHMCORRQHIN-UHFFFAOYSA-N	369.464	2.400	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2cscc2Cl)c1	1155554281	DXHXMWGULVMKPV-UHFFFAOYSA-N	360.844	2.409	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)C[C@@H]2NC(=O)c3ccccc32)cc1	1300280257	MTTBLZHSFUKBSB-IBGZPJMESA-N	367.449	2.465	10	10	FECE	
O=C1Nc2cc(N3C[C@@H]4CN(Cc5ccccc5)C[C@H]4C3)c(F)cc2[C@@H]1O	705959411	QEUSIHRJCSCNCL-AVYPCKFXSA-N	367.424	2.379	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCC[C@H]3N(C)C)C2)cc1	1328413273	OSBYCPICADVHRI-KFKAGJAMSA-N	360.502	2.446	10	10	FECE	
CC(C)(C)OC(=O)NCC12CCC(C(=O)NCCN=[N+]=[N-])(CC1)CO2	1965101906	JEDNEQLIGNRTAI-UHFFFAOYSA-N	353.423	2.267	10	10	FECE	
CCOC(=O)N1CSC[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1	1539188219	KXEFJTGUCTYLTR-OAHLLOKOSA-N	351.472	2.242	10	10	FECE	
COC(=O)c1cnn(CC(=O)N(Cc2ccco2)Cc2ccccc2O)c1	1545496649	VCGSOZYYGFJAAG-UHFFFAOYSA-N	369.377	2.197	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CCC2)n1CCn1cncn1	1729419962	ASIDXFHNFWNEBG-UHFFFAOYSA-N	353.430	2.179	10	10	FECE	
C[C@@H](NC(=O)[C@H]1COCCN1CC(F)(F)F)c1ccc(N(C)C)cc1	1634448201	LWJCCXCFQYHHQR-IUODEOHRSA-N	359.392	2.193	10	10	FECE	
CO[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC[C@@H]1C	1638917493	HZNFIPOZYAGFMF-KFKAGJAMSA-N	362.518	2.422	10	10	FECE	
CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)NCc1ccc(O)cc1O	1639440938	CGWOZJQCYLFIKL-GOSISDBHSA-N	371.437	2.238	10	10	FECE	
CC[C@H](CS(C)(=O)=O)NCc1c(Br)ccc(OC)c1O	1966014505	XGOQWISMSNAZDI-SECBINFHSA-N	366.277	2.076	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCNC2)N2CCCCC2)cc1	1865975753	LWXJNRPSYSVFNI-UYAOXDASSA-N	358.530	2.395	10	10	FECE	
CN1CCO[C@H]2CN(Cc3cc(Cl)cc(Br)c3O)C[C@@H]21	1278788147	GHXDUCGGCGFRFG-STQMWFEESA-N	361.667	2.323	10	10	FECE	
CC(C)(C)OC(=O)NCc1nc(=NCc2cc(F)ccc2O)s[nH]1	2014182713	SJOQQQYQXAKHHV-UHFFFAOYSA-N	354.407	2.442	10	10	FECE	
O=C1Nc2cc(N3C[C@@H]4CSC[C@H]4C3)c(Br)cc2[C@H]1O	711641139	VQCFVPMAPDTJFX-OTPXZMOZSA-N	355.257	2.234	10	10	FECE	
CC(C)(C)OC(=O)NC1(C(=O)N2CCC[C@H]2CN=[N+]=[N-])CCOCC1	2060636532	YVNUCVGDIHZALD-LBPRGKRZSA-N	353.423	2.362	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COCCN(CCCOc2ccc(N)cc2)C1	2106760822	RVECMMXSMNZFKN-MRXNPFEDSA-N	365.474	2.263	10	10	FECE	
CC(C)(C)OC(=O)N1CCOCC[C@@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2257615928	NQZIZKIEGFVTLN-CHWSQXEVSA-N	353.423	2.314	10	10	FECE	
COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)NCCO)cc1	2294474385	MHSALWCNTZRXDX-UHFFFAOYSA-N	351.406	2.302	10	10	FECE	
Nc1ccc(NC(=O)CCN2CCC[C@@H](NC(=O)C(F)(F)F)CC2)cc1	2286105533	QFTVLRWNIDEDCH-CYBMUJFWSA-N	372.391	2.130	10	10	FECE	
Cc1ccc(N2C(=O)C(=CNCc3ccco3)C(=O)NC2=S)cc1C	2296946566	SPJYLRRTYFEXLX-UHFFFAOYSA-N	355.419	2.318	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H]1C[C@@H](OC)CN(C(=O)OC(C)(C)C)C1	2315988768	LRMAWFKNMXBWOC-CHWSQXEVSA-N	355.439	2.417	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CC(=O)NCCc1ccc(O)c(O)c1	2335800843	IHNCAUANWSYPFH-KGLIPLIRSA-N	364.442	2.307	10	10	FECE	
COc1ccc(N2CCN(C=O)CC2)cc1NC(=O)c1cccc(F)c1	62160203	ZMXMRPAJRPFVCX-UHFFFAOYSA-N	357.385	2.365	10	10	FECE	
Cc1noc2ncc(S(=O)(=O)Nc3cccc(N4CCOCC4)c3)cc12	102631931	OLDWABDFDPZERM-UHFFFAOYSA-N	374.422	2.169	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)OCCN1CCCCC1=O	108939690	NKLJLVMZLPILJR-RMKNXTFCSA-N	358.438	2.092	10	10	FECE	
C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1nnnn1-c1ccccc1	115641051	SOUAICBGJCQILS-AWEZNQCLSA-N	365.441	2.289	10	10	FECE	
COc1cccc(/C=C2/SC(=S)N(CCNC(=O)C3CC3)C2=O)c1	49755296	FRKRVDHHYKERKO-GXDHUFHOSA-N	362.476	2.423	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc2cc[nH]c2c1	193479904	KBXGDQPSDRNEOH-NSHDSACASA-N	353.378	2.265	10	10	FECE	
C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCOc2cc(N(C)C)ccc21	437018201	LRXIWIFRCJGPGW-CQSZACIVSA-N	353.422	2.297	10	10	FECE	
COCC[C@@H]1CCCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1	368493985	WVLMRZOGYOEHGA-ZDUSSCGKSA-N	370.471	2.043	10	10	FECE	
CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1cc(F)cc(C(C)=O)c1O	372283226	RSAVAHKPCDZVPO-LSDHHAIUSA-N	353.390	2.276	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)c1nnc([C@]2(C)CCCO2)n1C	834918876	DDMDKPWYYYBJGX-FQEVSTJZSA-N	371.485	2.314	10	10	FECE	
CC[C@]1(C)NC(=O)N(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1=O	834789495	IMBOOTSGJDIQHZ-FQEVSTJZSA-N	368.437	2.388	10	10	FECE	
Cc1ccc(O)c(CNC(=O)[C@@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)c1	912999964	AUUVLQRQDFRYQO-XJKSGUPXSA-N	366.458	2.181	10	10	FECE	
Oc1ncnc2c(NCc3cc(F)c(N4CCOCC4)c(F)c3)nccc12	848720904	VJOSSRLIJCYQOI-UHFFFAOYSA-N	373.363	2.457	10	10	FECE	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCO[C@@H]1CC1(F)F	849360048	KHRJUYUCAULVMY-GFCCVEGCSA-N	360.744	2.234	10	10	FECE	
C[C@@H](N)c1ccc(CNC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1	842268466	RUQMGTLZZQHRFB-OAHLLOKOSA-N	368.481	2.047	10	10	FECE	
COCCNC1CCN(Cc2cc(Br)cc(OC)c2O)CC1	844901795	YNWVDQUDSUQPFU-UHFFFAOYSA-N	373.291	2.364	10	10	FECE	
Cc1cc(C(=O)NCC(C)(C)[C@]2(O)CCOC2)c(C)n1-c1ccccn1	844043594	CJZVIPDLJAKSSE-FQEVSTJZSA-N	357.454	2.397	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc(-n4cccn4)nc3)C2)cc1	855230909	GOEDQYXEAOMDOC-INIZCTEOSA-N	363.421	2.285	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)NCc2cc(Br)ccc2O)c2ncnn21	852477913	NIRFBWUAKRWLSQ-KCJUWKMLSA-N	366.219	2.251	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC(C3CS(=O)(=O)C3)C2)cc1	857276364	NTXLDECSOXXZDI-UHFFFAOYSA-N	358.463	2.211	10	10	FECE	
COC(=O)/C=C\c1ccc(N(C)CC(=O)Nc2cc(C)on2)c([N+](=O)[O-])c1	931398963	YSAATWRECOQISD-ALCCZGGFSA-N	374.353	2.152	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)/C=C/COC3CCOCC3)C2)cc1	868957056	WAPLPIZFLATSOW-RCAFFNEUSA-N	374.481	2.390	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3CCNC34CCC4)C2)cc1	861648194	RTXAXGMMYZXSMW-QAPCUYQASA-N	358.486	2.105	10	10	FECE	
COc1cccc([C@H](C)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1O	866496260	XQNAIHAQLWJWFC-QEJZJMRPSA-N	366.458	2.422	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1C[C@H]1C1CCOCC1	869203571	GVTKKODIOHNXCU-VQTJNVASSA-N	373.497	2.480	10	10	FECE	
CC(=O)N1CCc2cc(S(=O)(=O)N3Cc4cccc(O)c4C3)ccc21	867691305	YXBXWIHSLNJGCI-UHFFFAOYSA-N	358.419	2.006	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H]1CCC2(CCCC2)O1	1118326046	OUDKJZMGSDBRLG-GOSISDBHSA-N	373.497	2.319	10	10	FECE	
CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)NCc1ccc(N(C)C)cc1	775447162	LHERMBWBMGHOHY-IAGOWNOFSA-N	363.458	2.005	10	10	FECE	
CC(C)CCOC1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1	1329345813	YUMNTASBWZBURB-UHFFFAOYSA-N	360.454	2.288	10	10	FECE	
COCCN(CCF)c1nnc(-c2sccc2O)n1C[C@H]1CCOC1	1344228378	LKAQRRDBFPOJNP-GFCCVEGCSA-N	370.450	2.171	10	10	FECE	
C[C@@H](NC(=O)C(=O)NC[C@@]1(C)CC1(C)C)c1ccc(N2CCOCC2)cc1	1353742086	PLRVCXNKOPVQHM-QVKFZJNVSA-N	373.497	2.253	10	10	FECE	
Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N[C@H](C)c1ccccc1O	1632246712	MILIFOZOUBNPGZ-CYBMUJFWSA-N	362.451	2.442	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cc(O)ccc1O)C1CCC1	1633599331	XOJHHWSWCKDWHX-HNNXBMFYSA-N	350.415	2.407	10	10	FECE	
COC(=O)[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cccc(OC)c1	1641488879	HKUOHYRJNDMGIK-CNRGFGOASA-N	357.362	2.150	10	10	FECE	
NC(=O)[C@H](C1CC1)N(CC1CC1)C(=O)c1cc2cc(O)c(O)cc2s1	1649049470	XLLVZWVXUKPWAY-INIZCTEOSA-N	360.435	2.429	10	10	FECE	
CS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2c(O)cccc2O)c1	1597568973	LNFGTKFEXBVJRY-UHFFFAOYSA-N	355.799	2.085	10	10	FECE	
C[C@H]1CCCN1CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1676496902	DJZRITIEVMNSGB-LPHOPBHVSA-N	361.534	2.139	10	10	FECE	
CC(=O)Nc1ccc(NC(=O)CCN2C(=O)[C@@H](C)SC2=S)cc1	11635977	SVRQEGQNKBXFEW-SECBINFHSA-N	351.453	2.222	10	10	FECE	
CCOC(=O)c1ccccc1NC(=O)CCN1C(=O)[C@H](C)SC1=S	11636055	IFUARSZVIUEAAM-JTQLQIEISA-N	366.464	2.441	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](c2nc(=NCc3ccc(N)cc3)[nH][nH]2)C1	2128846682	CSKPTERQWBLGTQ-CYBMUJFWSA-N	358.446	2.145	10	10	FECE	
O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2	4471725	QYVDCJXFYUVUGI-QPEQYQDCSA-N	370.361	2.386	10	10	FECE	
Cc1ccccc1C(=O)N[C@@H](C(=O)NCc1ccc(O)c(O)c1)C(C)C	159088583	UUVDFMCJTXLRAX-GOSISDBHSA-N	356.422	2.477	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)N3CCC[C@@H](N=[N+]=[N-])C3)O2)C1	2140445963	OZUKNAYXVAOPEL-OLZOCXBDSA-N	365.434	2.456	10	10	FECE	
C[C@H]1Cc2cc(C=C3SC(N4CCC(C(N)=O)CC4)=NC3=O)ccc2O1	2053527897	NOKPLNUWQYKIPV-NSHDSACASA-N	371.462	2.178	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(N)CCN(Cc2ccccc2)C1	693955384	INDIBOZOJWOBAG-QFIPXVFZSA-N	366.509	2.314	10	10	FECE	
CCN(Cc1cc(Cl)cc(Br)c1O)[C@H]1CC(=O)NC1=O	2171211374	XYEKMJTWSRDZIG-JTQLQIEISA-N	361.623	2.045	10	10	FECE	
C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(C(=O)c1cc(O)c(O)c(O)c1)C2	2188868869	YCUBUNTZXNUGAT-IIBYNOLFSA-N	368.433	2.398	10	10	FECE	
C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)CCOc1ccc(N)cc1	2044209677	SMCLQHRPULDRIN-CYBMUJFWSA-N	351.447	2.409	10	10	FECE	
CC(C)(C)OC(=O)N1CC(F)(F)C[C@]1(C)C(=O)C(=O)C[C@H]1C[C@H](N)C1	2049781468	VHIXOUIUKISSTC-GLKRBJQHSA-N	360.401	2.287	10	10	FECE	
Cc1ccc(O)c(CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2CO)c1	2052718035	VIGQHRHBFWSFTE-HOCLYGCPSA-N	350.459	2.408	10	10	FECE	
C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccc(O)cc1O	2052720673	LRBMVEYTBXVWDW-PEYYIBSZSA-N	352.431	2.119	10	10	FECE	
CN(CCCN(C)C(=O)c1cc(O)c(O)c(O)c1)C(=O)OC(C)(C)C	2068614090	BSPVRJFAKIWEKF-UHFFFAOYSA-N	354.403	2.132	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@]1(C)C(=O)NCC1(CN=[N+]=[N-])CC1	2081166356	AZVMOFBCIPQDQX-HNNXBMFYSA-N	353.423	2.219	10	10	FECE	
COc1cc(N)c(N2CC[C@H](NC(=O)C(F)(F)F)[C@@H](C)C2)cc1OC	2106843328	HSUCYCZOCASOPM-ONGXEEELSA-N	361.364	2.179	10	10	FECE	
CC[C@H](C)N1C(=O)C(=Cc2cnn(-c3ccccc3)c2)C(=O)NC1=S	2297361506	JVOMQECGXWSYCH-LBPRGKRZSA-N	354.435	2.298	10	10	FECE	
Cc1n[nH]c(C)c1N/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	59858233	FHRVQWYHGLFVGY-GHXNOFRVSA-N	359.773	2.259	10	10	FECE	
CC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	108294845	RFEAZAHLRXJREU-SFHVURJKSA-N	361.511	2.461	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC[C@@H]1Cn1ccnc1	177795635	GSRSEUVOEVMGJU-MUPIXQSSSA-N	366.465	2.424	10	10	FECE	
CCc1nc2n(n1)C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)CC2	114977043	PVERRCOHSWXEQB-OAHLLOKOSA-N	356.474	2.063	10	10	FECE	
COc1ccc(N2CCN(C(=O)COc3nc(C(C)(C)C)no3)CC2)cc1	170965784	BIASLFPHZMYMLQ-UHFFFAOYSA-N	374.441	2.103	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2C[C@@H]2c2ccccc2)c1	111646878	YVWDWYSZRMTEJL-DZGCQCFKSA-N	360.435	2.297	10	10	FECE	
CN(C)[C@@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)c1cnn(C)c1	173223564	GXTSTNHARKVNGH-SFHVURJKSA-N	371.485	2.107	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1CN(CC(=O)Nc1ccc(N)cc1)C2	2358643579	SDDZPRSHOYKDQN-GRDNDAEWSA-N	374.485	2.442	10	10	FECE	
C[C@H](N[C@@H](C)[C@H](C)N1CCOCC1)c1ccc(N2CCOCC2)c(F)c1	247949982	DXFIVBDJFVKNLN-ULQDDVLXSA-N	365.493	2.422	10	10	FECE	
CCCN[C@@H]1C(=O)Nc2cc(N(C)[C@H](C)CO)c(Br)cc21	252803176	ASHXMTBXOHODDF-OTYXRUKQSA-N	356.264	2.259	10	10	FECE	
CCn1cc([C@@H](C)NCCN2CCN(c3ccc(OC)cc3)CC2)cn1	268801192	GEUCXLFXVIQUEI-QGZVFWFLSA-N	357.502	2.384	10	10	FECE	
COc1ccc(N2CCCN(S(=O)(=O)Cc3cc(C)on3)CC2)cc1	377690466	DQDBFPMOBMPBBM-UHFFFAOYSA-N	365.455	2.034	10	10	FECE	
COCCCONC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	805041026	KKEJHMWJIMXAEL-UHFFFAOYSA-N	359.470	2.492	10	10	FECE	
Cc1ccc(CN(C)c2nc(Cl)nc(=N)[nH]2)c(O)c1Br	2381128626	XEJAHSISYOUBRS-UHFFFAOYSA-N	358.627	2.350	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CC[C@@H]4C[C@@H]4C3)nc12	817202262	PTFKZCPIACZTCG-IJLUTSLNSA-N	359.382	2.091	10	10	FECE	
CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)NCc1ccc(N(C)C)c(F)c1	727309170	CTJJSVXPKAXXDC-GOSISDBHSA-N	372.444	2.358	10	10	FECE	
O=C(NCc1cccc(Br)c1O)[C@@H]1CCc2nc[nH]c2C1	834475968	JUMVXGKQVHZSHW-SECBINFHSA-N	350.216	2.299	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@@H]4CCCCN43)cc2)CC1	918831706	WJLXRXQRWYGQRZ-PMACEKPBSA-N	356.514	2.072	10	10	FECE	
COCCO[C@@H]1CCCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C1	844207522	MFMVLIJSHHEAMR-BRLPQQTGSA-N	350.371	2.324	10	10	FECE	
Cc1cccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)n1	851982504	JIPMGYAFLFJGNS-UHFFFAOYSA-N	354.454	2.351	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(CO)c3)C2)cc1	852230231	QSZWQIAJIYBIOE-KRWDZBQOSA-N	355.438	2.266	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](C)Cn3ccnc3C)C2)cc1	853589536	UOEQRMRHYXVIHL-NVXWUHKLSA-N	371.485	2.414	10	10	FECE	
CC(C)OC[C@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	852784794	RWZDTCOKSDGECK-OALUTQOASA-N	363.502	2.013	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ncoc3-c3ccon3)C2)cc1	855225081	NRNYAKRVELPQCX-GFCCVEGCSA-N	354.366	2.347	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H](C)Cn1cncn1	858558023	GGNKOXWRCBDKKT-CYBMUJFWSA-N	351.410	2.317	10	10	FECE	
Cc1cc(F)ccc1CN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O	754417743	DJSNDNZFUMMILC-UHFFFAOYSA-N	366.414	2.483	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)cc1	855226781	UEQMWYLOOAALTQ-KSSFIOAISA-N	371.393	2.032	10	10	FECE	
CN(C)c1ccc([C@H](N)CNC(=O)c2cn(C)nc2-c2ccco2)cc1	852792075	QQTOKIUEPWWKNY-MRXNPFEDSA-N	353.426	2.176	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@H](c3nncn3C)C(C)C)C2)cc1	852324418	STLCTFLBOYAYOU-PBHICJAKSA-N	372.473	2.099	10	10	FECE	
CSc1nccnc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	878301033	QOZLBJQIEHZEIO-UHFFFAOYSA-N	372.494	2.337	10	10	FECE	
Cn1ccnc1CN1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1	896205850	JIPWUFFAHFOHNF-UHFFFAOYSA-N	372.450	2.004	10	10	FECE	
O=C(CC[C@@H]1CC[C@H](C2OCCO2)O1)NCc1cc(Cl)ccc1O	898276878	GOWPJLMJZHCUPV-DZGCQCFKSA-N	355.818	2.363	10	10	FECE	
O=C(c1cn([C@@H]2CC[C@H]2O)nn1)N(Cc1ccco1)Cc1ccccc1O	1149857696	OJBBNOOZQHVQKS-SJLPKXTDSA-N	368.393	2.115	10	10	FECE	
C[C@@H](CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccccn1	1328418295	BAVNAPHTYSKLJE-LSDHHAIUSA-N	354.454	2.245	10	10	FECE	
O=C(NCc1cccc(O)c1O)[C@H]1CCCN1c1ncnc2sccc12	1347541782	HSHJXKZSYDTBAY-CYBMUJFWSA-N	370.434	2.388	10	10	FECE	
COc1cccc(O)c1CN[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO	2116271760	ZCIHAHRBKWHUOH-UKRRQHHQSA-N	366.458	2.108	10	10	FECE	
Cc1c(NC(=O)Cc2ccc(O)c(O)c2)nnn1Cc1ccccc1F	1296999880	IWCLCSLUCHPNJY-UHFFFAOYSA-N	356.357	2.366	10	10	FECE	
O=C(CN1CCCC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	1294860189	RVEOBAYOZSTVNU-MRXNPFEDSA-N	351.878	2.222	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@@H](NC(=O)c1ccc(O)c(O)c1)C2	2118188021	OKNUALNPZNIYHI-UBHSHLNASA-N	362.426	2.473	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)C2(C)COC(C)(C)OC2)N(C)C)cc1	1456927321	BKBRDDWVEDUHDI-QGZVFWFLSA-N	363.502	2.261	10	10	FECE	
COC1(c2cnnn2C)CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1	1520546572	UNEORJKIIQQOMV-UHFFFAOYSA-N	365.437	2.220	10	10	FECE	
COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@@H](C)C3(C)CC3)CC2)cc1	1602976098	XSEAQTZCVYRZGA-FDMDGMSGSA-N	371.481	2.205	10	10	FECE	
CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)cc1	1544891583	FNRBADDXFQXRBV-UHFFFAOYSA-N	374.422	2.324	10	10	FECE	
COc1cc(OC)c(CCNC(=O)Cc2ccc(O)c(O)c2)c(OC)c1	1627607188	DDWHCWLDQCYGHN-UHFFFAOYSA-N	361.394	2.025	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)CO1	2124505191	IVDTUKWCHZPGKD-IHRRRGAJSA-N	367.450	2.465	10	10	FECE	
C[C@@H](NC(=O)c1cc(S(C)(=O)=O)ncc1Cl)c1ccccc1O	1642827366	FTXLSGZVOHGQAS-SECBINFHSA-N	354.815	2.335	10	10	FECE	
Cc1c(C(=O)NCc2ccc(O)c(O)c2)nnn1-c1ccc(F)c(F)c1	1595595901	MYUJJUZQOUZMSN-UHFFFAOYSA-N	360.320	2.195	10	10	FECE	
CCOCCCN/C(C)=C1/C(=O)N(c2ccccc2)N=C1CC(=O)OC	205942529	OMECSOCVMXZURK-NBVRZTHBSA-N	359.426	2.243	10	10	FECE	
COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1	6172125	ZALRTAMZVMDKLS-BMANGOCTSA-N	372.377	2.446	10	10	FECE	
CCOC(=O)C1CCN(C(=O)CCNCc2ccc(N(C)C)cc2)CC1	1857863020	NOVOJZUQIFOJCP-UHFFFAOYSA-N	361.486	2.034	10	10	FECE	
Cc1cccc(CNC(=O)[C@H]2CO[C@@H](C)CN2C(=O)OC(C)(C)C)c1O	2139759393	XNLGLBTVRJHRPL-DZGCQCFKSA-N	364.442	2.341	10	10	FECE	
COC1(CCNCc2cccc(O)c2O)CN(C(=O)OC(C)(C)C)C1	2048136510	CEXWGANCEPCURX-UHFFFAOYSA-N	352.431	2.213	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCc2ccccc2O)CO1	2060118874	FWBIGNRVHZPTLK-TZMCWYRMSA-N	350.415	2.033	10	10	FECE	
CSC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	2060346812	GBYXTEANCFHNJS-LBPRGKRZSA-N	370.471	2.013	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(CCC(=O)N2CC[C@@H](N=[N+]=[N-])C2)CCOC1	2060640905	ADVZLCHVHWTGGS-WBMJQRKESA-N	353.423	2.362	10	10	FECE	
C[C@H](CCS(C)(=O)=O)N(C)Cc1c(O)cccc1Br	2104456853	UJIFMCNYCYNZAJ-SNVBAGLBSA-N	350.278	2.410	10	10	FECE	
CC(C)CN1C(=O)C(=CNc2cccc3cccnc23)C(=O)NC1=S	2295113254	WDHRTCLQSKRISV-UHFFFAOYSA-N	354.435	2.430	10	10	FECE	
CN(C)c1ccc(CN[C@@]2(C(=O)O)CCN(C(=O)OC(C)(C)C)C2)cc1	2348037953	COMURJUJFZBOSJ-IBGZPJMESA-N	363.458	2.306	10	10	FECE	
COc1ccccc1N/C=C1\C(=O)N(c2ccc3nnc(C)n3n2)N=C1C	103051197	DHNWTHLAQBBXKE-RAXLEYEMSA-N	363.381	2.160	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCO[C@@H](Cc4ccccc4)C3)cc2N1	302044016	XILAOHPAXKDMDK-AWEZNQCLSA-N	369.377	2.374	10	10	FECE	
Cc1ccc(-n2c(C)cc(C(=O)CN3C[C@@H](C(N)=O)O[C@H](C)C3)c2C)cc1	123147271	UTQFRSZUVSJQCE-QRWLVFNGSA-N	369.465	2.160	10	10	FECE	
COc1cccc(CNC(=O)NCc2cc(=O)[nH]c3ccccc23)c1O	85428528	IOYDNYYGIJKMBG-UHFFFAOYSA-N	353.378	2.242	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccnn1C1CCOCC1	611656683	GCKBMDMSLCLMIF-UHFFFAOYSA-N	356.426	2.340	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)N3CC[C@H]4OCC(=O)N[C@@H]4C3)c2C)c1	366769522	YEPGCVYNYSKLDU-RTBURBONSA-N	367.449	2.132	10	10	FECE	
Cc1nnc2ccc(C(=O)NCc3cc(Br)ccc3O)cn12	804732896	DVVVUBFBGLEUDL-UHFFFAOYSA-N	361.199	2.436	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCc2nc[nH]c2C1	828149000	DLWXHOBZJKORNP-KRWDZBQOSA-N	368.481	2.040	10	10	FECE	
CS(=O)(=O)[C@@H]1CN(Cc2cccc(Cl)c2O)C[C@H]1C(F)(F)F	826894745	VLMSAJPFQBIRHI-MWLCHTKSSA-N	357.781	2.453	10	10	FECE	
CCNCCCNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	841868260	CJNPRKRHEBEAQQ-UHFFFAOYSA-N	373.545	2.017	10	10	FECE	
CNS(=O)(=O)c1cccc(C(=O)NCc2c(O)ccc3c2CCCC3)c1	743717648	QCYPFCSDFQUTEH-UHFFFAOYSA-N	374.462	2.109	10	10	FECE	
C[C@]1(c2ccc(F)cc2)CCN(C(=O)C(=O)NCCc2ccc(N)cc2)C1	842241649	HEDDVYHEUSHDFO-NRFANRHFSA-N	369.440	2.257	10	10	FECE	
Cc1cc(CC(=O)N[C@@H](CO)Cc2cnn(C)c2)c(C)n1-c1ccccc1	911131260	ZHQJVWZSXHPCTL-LJQANCHMSA-N	366.465	2.090	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)c1cnc2n1CCC2	841570087	QHPJRRRCIGGRLU-CQSZACIVSA-N	362.499	2.113	10	10	FECE	
COC(=O)c1cnc(CCNCc2ccc(N3CCN(C)CC3)cc2)s1	922832830	GQYBNXMDGWDFGV-UHFFFAOYSA-N	374.510	2.014	10	10	FECE	
CC1(C)CN(C(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)CCO1	929969799	DCRXDBBOUMBIOL-QGZVFWFLSA-N	362.470	2.011	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@]3(C2)CC3(F)F)c1	846579044	JPVWIXUUFRJWTP-AWEZNQCLSA-N	360.382	2.025	10	10	FECE	
C[C@H](C[C@@H]1CCC(=O)N1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	925675862	GOWPPEQMRDZHCX-XLIONFOSSA-N	370.541	2.365	10	10	FECE	
Cc1ccc(C(=O)N2CCN(CCCOC(C)(C)C)CC2)c(O)c1O	921846832	GPQUEWDXWLUEDH-UHFFFAOYSA-N	350.459	2.369	10	10	FECE	
COC(=O)C[C@H]1CN(Cc2c(O)c(C(=O)OC)cc3ccccc23)CCO1	751952212	CHAHXOOFICNIDK-AWEZNQCLSA-N	373.405	2.096	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCc2cc(N)ccc21	851688866	DZSJMJPBSLOJGG-IBGZPJMESA-N	366.465	2.097	10	10	FECE	
O=S1(=O)CCN(c2ccc(CN[C@@H]3CCCSCC3)cc2)CC1	850435998	QONPNILFBRFXSG-MRXNPFEDSA-N	354.541	2.297	10	10	FECE	
COc1ccc(CNC(=O)NCc2cc(C(F)(F)F)nn2C)c(O)c1	926558535	GFHUAYFPGYYSJY-UHFFFAOYSA-N	358.320	2.153	10	10	FECE	
Cc1ccc(/C=C/C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cn1	754043866	QOVHXCVEGCZGGB-RMKNXTFCSA-N	371.462	2.243	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)CCOC(C)(C)C	866430368	PRLHBQHLEFBLKO-UHFFFAOYSA-N	370.515	2.100	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc(-c4cn[nH]c4)cn3)C2)cc1	869228474	JMGBQPUJYCZQJO-MRXNPFEDSA-N	363.421	2.489	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)N3CCn4c(O)nnc4C3)c2C)c1	763228131	PDMCAMVBLGPKNH-UHFFFAOYSA-N	351.410	2.356	10	10	FECE	
COC(=O)/C=C\c1ccc(N(C)[C@H](CO)COC(C)C)c([N+](=O)[O-])c1	763061300	ZSIYBGVCYUVVKS-IQCBXXCUSA-N	352.387	2.003	10	10	FECE	
CNC(=O)[C@H]1CCN(C(=O)c2ccccc2-n2c(C)cc(C=O)c2C)C1	862015793	GAORWEOZIOYADT-HNNXBMFYSA-N	353.422	2.115	10	10	FECE	
CCN(CC)c1ccc(CN2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@@H]3C(=O)OC)cc1	770377303	ZZJNWWZKEBJRHF-CADBVGFASA-N	374.481	2.458	10	10	FECE	
Cc1ccc(CC[C@H](C)NC(=O)C(=O)NCc2ccc(N(C)C)cc2)o1	785423803	HIWNWRCDRCQOHW-AWEZNQCLSA-N	357.454	2.408	10	10	FECE	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccc(O)c(O)c1	1150487287	DPEHOJBYVKVSOD-INIZCTEOSA-N	372.421	2.114	10	10	FECE	
C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccccc1O)N(C)C	1303717752	MKKXTBCBBYYZOG-DOTOQJQBSA-N	373.501	2.464	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)NCc1c(O)cccc1O	1304054064	CCCFZEUBJSVWKU-ZDUSSCGKSA-N	350.415	2.407	10	10	FECE	
COc1ccc(N2C[C@H](NC(=O)/C=C/c3ccc(O)c(O)c3)CC2=O)cc1	1165959341	IPXNEHVJMWAIJO-WVRVXFOWSA-N	368.389	2.041	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)Cc3ccc(O)c(O)c3)C2)cc1	1162726667	ZNJQBQVRJJNIIQ-HNNXBMFYSA-N	356.422	2.292	10	10	FECE	
COC(=O)c1nc(CNC(=O)c2ccc(C)c(O)c2O)ccc1Cl	1165923532	KCYPYAKDSNWUMM-UHFFFAOYSA-N	350.758	2.171	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CN1CCN2CCOC[C@H]2C1	1474425322	BTCCCNKZKCROKP-GFCCVEGCSA-N	361.667	2.325	10	10	FECE	
COC(=O)[C@@H](NCCCN=[N+]=[N-])c1snc(OC)c1Br	690068366	SGGPMUIRIPIPCD-ZETCQYMHSA-N	364.225	2.418	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CNC(=O)c3ccc(C)s3)C2)cc1	1331230846	XWROUNZDLUHGCU-AWEZNQCLSA-N	373.478	2.190	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@]2(C)CC2(F)F)cc1F	1330433962	DHVDYDDOJBOBTB-KRWDZBQOSA-N	371.403	2.450	10	10	FECE	
C[C@H]1c2ccccc2C[C@H]1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	1350713183	XNLRXWOGTUSHFD-SCLBCKFNSA-N	369.440	2.353	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(F)(C(=O)NCc2cc(O)ccc2O)CC1	1471661898	GOSNTZLLWIULKE-UHFFFAOYSA-N	368.405	2.453	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NCc3ccc4c(c3)CCO4)[C@H]2C1	2121660208	BUJMIWORGFOOHN-NUJGCVRESA-N	360.454	2.345	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ccc[nH]1)C(=O)NCc1ccccc1O	2124027819	LPPBWLZNCXJOOD-OAHLLOKOSA-N	359.426	2.473	10	10	FECE	
Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1CCC(=O)N(C)C	1726355540	UJKFGYVFUOWRPG-UHFFFAOYSA-N	370.501	2.301	10	10	FECE	
Cn1ncc(C(=O)N2CCC[C@H]2CN=[N+]=[N-])c1CNC(=O)OC(C)(C)C	2124502851	DLGBAQRTFNXOLZ-NSHDSACASA-N	363.422	2.360	10	10	FECE	
CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)NC(=O)Cc1ccc(O)c(O)c1	1640068377	NFDZUHCSVFDPCH-OAHLLOKOSA-N	372.421	2.105	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2124503149	IANOOPABAAPZSF-STQMWFEESA-N	363.422	2.147	10	10	FECE	
O=C(NCc1cccc(O)c1O)c1cn2c(Br)cnc2s1	1643812762	PCPFBHDGUWABEW-UHFFFAOYSA-N	368.212	2.500	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N[C@H](CO)c3ncc[nH]3)c2C)cc1	1597908771	JKYHCMQOEXWTFH-QGZVFWFLSA-N	354.410	2.289	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(CNCc2ccc(O)c(O)c2O)C1	2031659910	IKSSWNBNEUWXEK-KPZWWZAWSA-N	350.415	2.150	10	10	FECE	
OCCN1CCC[C@H](NCc2cc(Cl)cc(Br)c2O)C1	708124952	KCZYAKXLLFOPPM-LBPRGKRZSA-N	363.683	2.354	10	10	FECE	
CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2060633117	KBHGYGJCQNQJOS-OLZOCXBDSA-N	355.439	2.465	10	10	FECE	
COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(N)ccc1O	2106734202	MMRRVNOLNQRKFZ-INIZCTEOSA-N	365.474	2.432	10	10	FECE	
CCCN[C@@H]1C(=O)Nc2cc(N(CC(N)=O)Cc3ccccc3)ccc21	2095891924	LTGSRQBIQMFWEZ-IBGZPJMESA-N	352.438	2.171	10	10	FECE	
CO[C@]1(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])CCN(C(=O)OC(C)(C)C)C1	2218741255	CAXUNXGUUCDWPK-BFQNTYOBSA-N	353.423	2.360	10	10	FECE	
CCn1ncc(NC(=O)Cc2ccc(N)cc2)c1I	2265382896	MTTMYKXSTYPECJ-UHFFFAOYSA-N	370.194	2.271	10	10	FECE	
CC(C)(C)OC(=O)NC12COC(C(=O)N3CCC[C@@H](CN=[N+]=[N-])C3)(C1)C2	2266070893	UFTAFOSMGFNFOS-CDEQTRAXSA-N	365.434	2.362	10	10	FECE	
Cc1ccccc1C=C1SC(=S)N([C@H](CC(=O)O)C(=O)O)C1=O	2293039625	UPOHVOFCFFRSCF-SNVBAGLBSA-N	351.405	2.124	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N[C@@H]1Cc2ccccc2[C@H]1O	2302272294	HLIANXLMBBLRGR-IFMALSPDSA-N	364.445	2.311	10	10	FECE	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cccc([N+](=O)[O-])c1	2313557352	BAFNHVPHWRIXQV-UHFFFAOYSA-N	355.281	2.400	10	10	FECE	
C[C@@H]1COC[C@@H](C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])N1C(=O)OC(C)(C)C	2312333835	CEPBDWTVNYCBCK-NDBYEHHHSA-N	353.423	2.358	10	10	FECE	
COc1ccc(O)c(CNC(=O)CNC(=O)c2cc3c(s2)CCCC3)c1	114541406	SDGAACCGPAIAQI-UHFFFAOYSA-N	374.462	2.387	10	10	FECE	
COC(=O)[C@@](C)(N)c1cc(Br)cc(Br)c1O	309508907	RODYSOCYTIAZET-JTQLQIEISA-N	353.010	2.264	10	10	FECE	
CCOc1cccc(N2CCN(Cc3cc([N+](=O)[O-])ccc3O)CC2)n1	171583753	JCVKHYHMZPBRJQ-UHFFFAOYSA-N	358.398	2.416	10	10	FECE	
CC(C)c1nnnn1CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	174029954	XFUHYHIUYVICMP-UHFFFAOYSA-N	356.474	2.445	10	10	FECE	
CCNC(=O)N1CC[C@H](NC(=O)NCc2ccc(N(CC)CC)cc2)C1	177553673	GOHYQPRWDIIGQY-INIZCTEOSA-N	361.490	2.136	10	10	FECE	
CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1NCc1ccc(O)c(O)c1	302118995	SVZLOJCKUHDFLH-MAZHCROVSA-N	352.431	2.258	10	10	FECE	
C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)/C=C/c1ccc(O)c(O)c1	181276309	ZKWIWSGRHJEZCR-XOVSCCBYSA-N	365.389	2.026	10	10	FECE	
O=C(COc1ccccc1)N1CCN(c2ccc3c(c2)OCCO3)CC1	41380091	LQPNXEYWGLGBFH-UHFFFAOYSA-N	354.406	2.185	10	10	FECE	
Cc1ccc(CN(C)C[C@H]2CCS(=O)(=O)C2)c(O)c1Br	2380715433	ZPEFZDJPAANPBR-LLVKDONJSA-N	362.289	2.330	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@H](NC(=O)OC(C)(C)C)c3cn(C)nn3)ccc21	2166701786	JOARHZIWGJXDKE-IAGOWNOFSA-N	372.473	2.073	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)N[C@@H](C3CCC3)C3CC3)C2)cc1	829636936	DGEDLPXDKUWBGV-LPHOPBHVSA-N	371.481	2.085	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(C[C@H](NCc3ccc4c(c3)CCO4)CO2)C1	827064915	HBQQJQULZDQBBT-INIZCTEOSA-N	360.454	2.490	10	10	FECE	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H](O)C1CCC1	827311296	XYJOOEGVKZQGKJ-WBVHZDCISA-N	352.862	2.287	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)NCc3ccccc3O)cn2)C[C@@H](C)O1	748461552	ZUODYEOHGCBEDH-GASCZTMLSA-N	370.453	2.400	10	10	FECE	
CC(C)(C(=O)O)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	844252723	VNOVIBYGUOWPFU-UHFFFAOYSA-N	356.369	2.484	10	10	FECE	
CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)NCc1c(O)cccc1F	921451802	WDZIXGSZAMBUHV-CQSZACIVSA-N	371.405	2.348	10	10	FECE	
COc1ccc(N2CCCN(C(=O)c3cc(C(C)(C)N)no3)CC2)cc1	852862185	VRIWSHXVIAXIBY-UHFFFAOYSA-N	358.442	2.230	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)NC[C@@H]3C[C@H]3C(F)(F)F)cc2)CC1	924009194	XJGQQPJLUQFTJR-GOEBONIOSA-N	370.419	2.436	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](C1CCOCC1)C1(CO)CCC1	855119432	DTXPIPUTLVRBCB-JUGMSXHOSA-N	361.438	2.185	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cnc(C2CC2)nc1	856216581	YVQJMROQRYIPQT-UHFFFAOYSA-N	352.438	2.245	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H]1CCC[C@H](C)O1	850601027	AJHPNQKTEXRWKD-YJBOKZPZSA-N	361.486	2.175	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H](C)c3ccnn3C)CC2)c(OC)c1	869184589	AKXXKGAEFDYNDT-CQSZACIVSA-N	373.457	2.030	10	10	FECE	
CCOC1CC2(C1)C[C@@H]2C(=O)NCc1ccc(N2CCOCC2)c(F)c1	864932375	YIQMRORZKJXNFP-LFDOHDQPSA-N	362.445	2.484	10	10	FECE	
COc1ccc(O)c(CNC(=O)c2ccc(CNC(=O)C(F)(F)F)o2)c1	860240796	CVFLWIOUDQDVIH-UHFFFAOYSA-N	372.299	2.102	10	10	FECE	
C[C@@H](NCCC1CS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1Cl	786948132	CWVNTQKVPCMZQX-CYBMUJFWSA-N	372.918	2.262	10	10	FECE	
C[C@H](NC(=O)C(=O)N1CC[C@H](c2nccs2)C1)c1ccc(N(C)C)cc1	897866222	USANXHPCGJKRKC-ZFWWWQNUSA-N	372.494	2.402	10	10	FECE	
CN1C(=O)C[C@H](C(=O)NCc2c(O)cccc2O)[C@H]1c1cccc(F)c1	1156885584	KVUMXIYNTMSXPD-SCLBCKFNSA-N	358.369	2.073	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)c3cnn(C)c3C)C2)cc1	1328507040	MFQYSRUVROMCQJ-UKRRQHHQSA-N	357.458	2.376	10	10	FECE	
Cc1cc(Br)cc(CN(C)C[C@H]2CCCS2(=O)=O)c1O	694401082	WMRGELZEGGVEFZ-CYBMUJFWSA-N	362.289	2.472	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@]12C[C@H]1COC21CCC1	1333008422	DWRWTHBRJJVCBZ-YWZLYKJASA-N	360.429	2.238	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)NCc1cccc(O)c1O)CC1CC1	1347540775	BBUGFWYHUTZWLA-UHFFFAOYSA-N	350.415	2.361	10	10	FECE	
O=C(Nc1ccc(O)cc1)C1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1	1294681684	UKNWNVIDXJELGB-UHFFFAOYSA-N	370.405	2.223	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1cc(=O)c(O)co1	1456747216	IQMNECHMCIXTRE-UHFFFAOYSA-N	366.373	2.495	10	10	FECE	
COC(=O)c1cc(C(=O)CN(C)CCN(C)c2ccc(OC)cc2)c(C)[nH]1	1460332678	BXMIQQMFKNPSHZ-UHFFFAOYSA-N	373.453	2.369	10	10	FECE	
CCN1CCN(c2ccc(NC(=O)Cc3ccc(O)c(O)c3)cc2)CC1	1540400591	FKEVPDOEHWTSJI-UHFFFAOYSA-N	355.438	2.421	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)cs1)CCO2	1638005990	NECNDKCUDSKWQR-KRWDZBQOSA-N	368.455	2.306	10	10	FECE	
CS(=O)(=O)C[C@H](C(=O)NCc1cc(Cl)ccc1O)c1ccccc1	1640924857	WDFFRNVRPGHNOC-HNNXBMFYSA-N	367.854	2.490	10	10	FECE	
Cc1ccc(-n2c(C)cc(/C=C/C(=O)N[C@@H]3CCC(=O)NC3=O)c2C)cc1	153267320	OYYZMUKSKAMIPU-WGLAMXGCSA-N	365.433	2.337	10	10	FECE	
CN(C)c1ccc(CN[C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2O)cc1	1905885339	GUVQJEQQVCOBTL-WOJBJXKFSA-N	369.465	2.224	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(Cc2c(O)cccc2F)C1	2136385336	AINUFCBNUBZKEW-BXUZGUMPSA-N	368.405	2.474	10	10	FECE	
CN[C@H](c1ccccc1O)C1(O)CC(COC)(NC(=O)OC(C)(C)C)C1	1920785205	NUFHBJQHIFLARW-VNCLNFNDSA-N	366.458	2.088	10	10	FECE	
CN(C)[C@@H]1COC[C@@H]1CNCc1cc(Cl)cc(Br)c1O	1924650857	ZCCTZEIQZDGUFZ-GXFFZTMASA-N	363.683	2.474	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H](N)Cc2ccc(O)c(O)c2)C1	1952889734	IPVSOIDUQXFTLG-IOASZLSFSA-N	352.431	2.040	10	10	FECE	
C[C@@H](O)c1ccc(N(C)C[C@H]2CCS(=O)(=O)C2)c(Br)c1	2148779850	ACCXTOHBBMVDSI-GHMZBOCLSA-N	362.289	2.373	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNCc2cc(F)ccc2O)C1	2036980253	UTSXIJOYUAMVOW-HNNXBMFYSA-N	353.438	2.172	10	10	FECE	
COc1ccc(N2CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(N)c1	2044725226	JOVHNWTYXMICMU-WBMJQRKESA-N	351.447	2.396	10	10	FECE	
Cc1ccc(O)c([C@@H](C)NCC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)c1	2102954286	YCIDMKAEPCCQEI-CYBMUJFWSA-N	363.458	2.074	10	10	FECE	
C[C@](NC(=O)C(F)(F)F)(C(=O)N1CC[C@H](CN=[N+]=[N-])C1)C(F)(F)F	2060640738	YEUJCGIDRJEEAX-MUWHJKNJSA-N	361.246	2.145	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060612114	CJNUYXQGQQIJLF-UPJWGTAASA-N	353.423	2.170	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](O)C1(C)C	2073245020	CYTRDLMAAUKUKI-BDJLRTHQSA-N	355.439	2.200	10	10	FECE	
CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)COc1ccc(N)cc1)C2	2106248420	ZMMMPIUKRNIPGB-UHFFFAOYSA-N	361.442	2.163	10	10	FECE	
CC(C)(C)OC(=O)N1CCC2(CN(CC(=O)Nc3ccc(N)cc3)C2)C1	2106669709	SSIVBUDHNHTQKR-UHFFFAOYSA-N	360.458	2.150	10	10	FECE	
CCN1CCc2cc([C@H](N)[C@@H](O)[C@@H]3CCN3C(=O)OC(C)(C)C)ccc21	2106859363	IKRRGBLXPYHJIN-BZSNNMDCSA-N	361.486	2.439	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-]	2218742336	QNQGXNYMDXQPAA-RNJOBUHISA-N	353.423	2.264	10	10	FECE	
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)C=Cc1ccc(N2CCOCC2)cc1	2297632300	ZXSHCYQVBYYEDL-SXLOBPIMSA-N	356.466	2.466	10	10	FECE	
C[C@H](Oc1ccccc1C=C1SC(=S)N(CCCO)C1=O)C(=O)O	2314929909	UNLNVWPCYSBORG-JTQLQIEISA-N	367.448	2.122	10	10	FECE	
O=C1CCc2cc(N3CCN(C(=O)COc4ccccc4)CC3)ccc2N1	62575807	GVTIYDNRKXOTSR-UHFFFAOYSA-N	365.433	2.299	10	10	FECE	
CC[C@@H](C)NC(=O)CN(CC(=O)N[C@H](C)CC)c1ccc2c(c1)CCO2	31466182	UZCVMUAATLPHOT-HUUCEWRRSA-N	361.486	2.257	10	10	FECE	
CN1C(=O)/C(=C\c2cc3c(cc2Br)OCO3)C(O)=NC1=S	34259922	VIZYPRSHZRCELF-UQCOIBPSSA-N	369.196	2.275	10	10	FECE	
C[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCO1	80010726	OXTJWULPCOPXNP-GUYCJALGSA-N	351.422	2.029	10	10	FECE	
C[C@H](N[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccc(N2CCOCC2)cc1	90061999	FCNFFOLKHNUBLC-ZFWWWQNUSA-N	371.403	2.337	10	10	FECE	
COc1ccc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)cc1	96930743	OHGQDVGQJLCPMW-NTCAYCPXSA-N	364.492	2.229	10	10	FECE	
CCNC(=O)[C@H](C)NC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	435621183	JOHLWISIWBDUEN-HNNXBMFYSA-N	370.497	2.049	10	10	FECE	
Cn1cc([C@@H]2C[C@H]2C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cn1	363372633	RDDSLANDXUKWCR-VQTJNVASSA-N	368.481	2.049	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC2([C@@H](C)O)CC2)C1	620062279	VHLXXZABRVWVFA-OAHLLOKOSA-N	355.482	2.437	10	10	FECE	
CCCN(CCC)c1ccc(CNC2CC(NS(C)(=O)=O)C2)cc1	800892222	ZCTULKXIMGLQGC-UHFFFAOYSA-N	353.532	2.483	10	10	FECE	
O=C(CCOC1CCOCC1)NCc1cc(Br)ccc1O	804737499	JPUJMBCMGJHRSV-UHFFFAOYSA-N	358.232	2.357	10	10	FECE	
CC(C)N(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@@H](O)CO	817417640	MKQQRBCVYPSOBD-MRXNPFEDSA-N	351.447	2.149	10	10	FECE	
CN(C)C(=O)N(C)[C@@H]1CCN(Cc2cc(Br)ccc2O)C1	827545037	RLAXYEJDOHQEJK-CYBMUJFWSA-N	356.264	2.342	10	10	FECE	
CCn1nc(C)c(CNC(=O)NCc2cc(Br)ccc2O)n1	823765174	UXBJNVGEIXVZRZ-UHFFFAOYSA-N	368.235	2.074	10	10	FECE	
CC[C@@H](O)[C@@H](C)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	901286282	GTNLYIDEWALGCH-OXQOHEQNSA-N	359.514	2.242	10	10	FECE	
CC[C@H](NC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)[C@@H](O)C(F)F	824682383	ZHHPIEZCWAJJFJ-UHOFOFEASA-N	371.428	2.225	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](O)C[C@@H]1[C@H]1CCCOC1	838479198	OKMYZVFIHSCLKD-QXAKKESOSA-N	361.486	2.132	10	10	FECE	
CC[C@@H](NC[C@@H](O)CS(C)(=O)=O)c1ccc(Cl)c(Cl)c1O	927023031	GIHQJWASIVKMHV-LDYMZIIASA-N	356.271	2.145	10	10	FECE	
COc1ccc(N2CCC(NC(=O)c3ccc4c(n3)OCCO4)CC2)cc1	846853263	BFPOYSDSESUIGU-UHFFFAOYSA-N	369.421	2.260	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3nc(C)sc3C)CC2)cc1	751755637	KJDLEGNTJZCMDZ-UHFFFAOYSA-N	374.510	2.321	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@H]2COC[C@@H]2C1	851991546	QOFYCMUHMPZNQJ-IRXDYDNUSA-N	361.511	2.418	10	10	FECE	
Cc1cc(C(=O)N2CCC(N3CC[C@@H](O)C3)CC2)c(C)n1-c1ccccn1	856253388	ADDNCYZKXVQPHR-GOSISDBHSA-N	368.481	2.160	10	10	FECE	
C[C@H]1CN(c2ccc(C(=O)NCc3c(O)cccc3F)cn2)C[C@H](C)O1	928712362	SDFZYUQTIKICPO-STQMWFEESA-N	359.401	2.470	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3nn(C)cc3Cl)C2)cc1	852368188	LJADKTNQNWNHTL-LBPRGKRZSA-N	363.849	2.160	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc(C(N)=S)cc3)C2)cc1	855232720	TYUJIMKDMLABBR-OAHLLOKOSA-N	355.463	2.338	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1CCNC(=O)CC1	861995409	AMHIKMSJVPKILA-INIZCTEOSA-N	353.422	2.305	10	10	FECE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	864954599	SUVOOOXPPXIBQE-ZAMIHWKFSA-N	355.482	2.297	10	10	FECE	
COc1cncc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1C	869596238	MBQVLOORPHGMAE-UHFFFAOYSA-N	371.437	2.280	10	10	FECE	
O=C1CNC(=O)N1Cc1ccc(CN[C@H]2CCc3cccc(O)c32)cc1	866524497	FLRYOCXQIADUJD-INIZCTEOSA-N	351.406	2.221	10	10	FECE	
Cc1nn(C)c2c1N(C(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)C1)CCO2	866517512	LPPFTXPMWJGMTP-CYBMUJFWSA-N	362.430	2.067	10	10	FECE	
C[C@H](O)[C@H](NCc1cc(F)cc(F)c1O)C(=O)OCc1ccccc1	894856260	VUSHIWVQJPYZFT-ZBEGNZNMSA-N	351.349	2.253	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCC(CO)(Cc2ccccc2)CC1	1139370845	HNDSXEYQFKOAHB-UHFFFAOYSA-N	355.434	2.484	10	10	FECE	
C[C@H](NC(=O)NCc1ncccc1O)c1ccc(N2CCOCC2)cc1	792052448	SQDPZHLTIMSMIV-AWEZNQCLSA-N	356.426	2.184	10	10	FECE	
COC(=O)c1cccc2c1CN(C(=O)/C=C/c1ccc(O)c(O)c1)CC2	1143080989	ZKYHWIKMRSMTCI-SOFGYWHQSA-N	353.374	2.483	10	10	FECE	
CN1C[C@]23CCCC[C@]2(C1)CN(CC(=O)NCc1ccc(N(C)C)cc1)C3	1308172005	XPCWDKYUJKRCNZ-VXKWHMMOSA-N	370.541	2.177	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNCc1ccc(F)c(F)c1O	703261423	VTUOCQCZDNJMRR-ZDUSSCGKSA-N	371.428	2.311	10	10	FECE	
COc1ccc(C2CC2)cc1CNC(=O)C(=O)N1Cc2cccc(O)c2C1	1333924018	YBVPSGKDMVYIBC-UHFFFAOYSA-N	366.417	2.437	10	10	FECE	
C[C@@H](N)c1ccc(N(C)C[C@H]2CCCS2(=O)=O)cc1Br	694120931	TWIUTUAZKSGEHM-ZYHUDNBSSA-N	361.305	2.482	10	10	FECE	
NC(=O)c1cccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)c1	1333205054	RWPYGXIHVQPYEE-UHFFFAOYSA-N	373.478	2.254	10	10	FECE	
CN1C[C@@H]2CC[C@H](NC(=O)NCc3cc(Br)ccc3O)[C@H]2C1	1519932081	UPTMLTMDPUQQGM-BPNCWPANSA-N	368.275	2.294	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)cc1	1471031935	UZWHRFASMANBCI-NHCUHLMSSA-N	365.433	2.219	10	10	FECE	
COc1ccc(CNC(=O)c2c(F)ccc(O)c2O)c(OC)c1OC	1472486842	XQRNURZRYFEYES-UHFFFAOYSA-N	351.330	2.193	10	10	FECE	
CCC1(CNC(=O)COc2ccc(N)cc2)CN(C(=O)OC(C)(C)C)C1	2121531129	LTPMCJILACIYPA-UHFFFAOYSA-N	363.458	2.411	10	10	FECE	
O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCc1c(O)cccc1F	1638858325	QPUONBRNEPRQIM-UHFFFAOYSA-N	361.764	2.155	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C(=O)OC(C)(C)C)CCCO1	1632680907	IFCHKWHRRSQNQQ-BUXKBTBVSA-N	365.426	2.036	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](CO)(C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C1	2124543298	PPRRXRVDXZAEPG-SUMWQHHRSA-N	367.450	2.297	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2124503912	RIQSIWCVJSNCRK-AAEUAGOBSA-N	363.422	2.004	10	10	FECE	
CC(C)[C@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCO1	1685681959	OKXHBIUODVKIIO-RTBURBONSA-N	362.518	2.422	10	10	FECE	
Cc1ccc(O)c(CNCC(=O)N2CCN(Cc3ccccc3)CC2)c1	113341400	GEMGGPNYJSLWND-UHFFFAOYSA-N	353.466	2.135	10	10	FECE	
COc1cc(C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc(O)c1O	1951518751	RIORWVWPBIKSOW-ZDUSSCGKSA-N	361.350	2.029	10	10	FECE	
CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2CC(N=[N+]=[N-])C2)C1	2010391739	AXAGTMOSPNPBJF-MAUKXSAKSA-N	373.413	2.324	10	10	FECE	
CN(CC(=O)NC1CC1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2	312909739	UMGNLCVWWGYEFP-UHFFFAOYSA-N	374.485	2.277	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@H]2C(=O)C(=O)C[C@H]1C[C@H](N)C1	2049787263	WIZFQMSEOSZNIE-JEWKUQAESA-N	350.459	2.191	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060608944	ONGFHWDSCHFXDO-WBMJQRKESA-N	353.423	2.050	10	10	FECE	
CCON(CCNC(=O)OC(C)(C)C)CCC(=O)Nc1ccc(N)cc1	2106751111	PPXXLYAKDZTTFE-UHFFFAOYSA-N	366.462	2.376	10	10	FECE	
CSc1ncc(CNC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)s1	2208604583	CMZALOGMYRONEZ-OAHLLOKOSA-N	359.517	2.327	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1c1ccc2c(c1)OC(F)(F)O2	2226701373	PQEJMYXMZJVUSN-NEPJUHHUSA-N	372.368	2.472	10	10	FECE	
CC(C)(C)OC(=O)N1CCOCC[C@@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2257620569	YCHMJYWPPFLXJA-QWHCGFSZSA-N	353.423	2.171	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@]12CCO[C@H]1CN(C(=O)OC(C)(C)C)C2	2264329052	UTQIEHHZRPXIKG-BLLLJJGKSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2(C(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2278990553	WOKBJOBDXGUHSF-DCGLDWPTSA-N	365.434	2.314	10	10	FECE	
Cc1cc(C=CC(=O)N[C@H]2CCN(C(N)=O)C2)c(C)n1-c1ccccc1	2297574100	GGLUPTGHQPXERK-KRWDZBQOSA-N	352.438	2.377	10	10	FECE	
CS(=O)(=O)c1ccc2c(c1)N(C(=O)C=Cc1cncc(F)c1)CCO2	2300220845	GZTVDSKITQLMRB-UHFFFAOYSA-N	362.382	2.063	10	10	FECE	
CC(=O)OC1CCN(C(=O)C=Cc2ccc(N3CCOCC3)cc2)CC1	2303643005	HFUWTBMQROTMSR-UHFFFAOYSA-N	358.438	2.091	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCCCn3nc(C)cc3C)CC2)cc1	53520578	XHXYCMDMDBARSS-UHFFFAOYSA-N	371.485	2.430	10	10	FECE	
CCOc1cccc(CN[C@@H]2CCCN(c3cc(C)nn3C)C2=O)c1O	173853684	QROCRSFSIKOBRQ-OAHLLOKOSA-N	358.442	2.118	10	10	FECE	
Cc1cc(Cl)cc(CN2CCC(C(=O)N3CCOCC3)CC2)c1O	179591110	CJDBJMQSBDTTDQ-UHFFFAOYSA-N	352.862	2.425	10	10	FECE	
COC(=O)[C@H]1C[C@H](OC)CN1Cc1cc(Br)cc(C)c1O	180234066	IMGUIDQAZFDJDM-QWHCGFSZSA-N	358.232	2.225	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1	121579106	PPYBQSASEGLTEA-FUHWJXTLSA-N	358.486	2.261	10	10	FECE	
Cc1cc(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)n(C)n1	92126429	CFIADPCRIMQKBF-UHFFFAOYSA-N	367.497	2.191	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)c1cccnc1	268855828	XKYOAQYZGAWGSU-UHFFFAOYSA-N	354.454	2.315	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)NCC1(O)Cc2ccccc2C1	364791087	HNZHQGYLPYKISL-UHFFFAOYSA-N	363.461	2.392	10	10	FECE	
COC(=O)COc1ccc(N(C)Cc2cccc(S(C)(=O)=O)c2)cc1	294988937	GYKKLVGUSWPPDL-UHFFFAOYSA-N	363.435	2.278	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)NCc2ccc(O)cc2O)C1	910957265	QNQMGQZLFAGMIM-WFASDCNBSA-N	368.405	2.309	10	10	FECE	
C[C@@H](NC(=O)[C@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)c1ccccc1O	913764016	YFPABVAXLFRCED-XJKCOSOUSA-N	366.458	2.433	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1	840305955	NOILYLUSBWKOGC-USXIJHARSA-N	360.502	2.335	10	10	FECE	
CO[C@H](C)CS(=O)(=O)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C	853121054	XPUSUVPEYRGORS-CQSZACIVSA-N	364.467	2.118	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](O)Cc3ccccc3)C2)cc1	852448427	IZSDPPIZPFKEPF-MJGOQNOKSA-N	369.465	2.177	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@H](CNC(=O)NCc1cc(C)ccc1O)C2	858554304	FIPYWYJUWLTLAF-DZKIICNBSA-N	361.442	2.367	10	10	FECE	
CN(C)c1ccc(CN2CCN(c3ccc(F)cc3C(N)=O)CC2)cc1F	857068043	VOWJHONRIXYOKE-UHFFFAOYSA-N	374.435	2.452	10	10	FECE	
CCOCCS(=O)(=O)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C	853106359	XRZUDXIAOSVNMH-UHFFFAOYSA-N	364.467	2.119	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(CO)cc3)C2)cc1	852241573	JGAFOQNWJCARDU-SFHVURJKSA-N	369.465	2.308	10	10	FECE	
CCOCc1cc(CNCc2ccnc(-n3cncn3)c2)ccc1OC	865681765	XOVYXPHEPOORKT-UHFFFAOYSA-N	353.426	2.497	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H](C(=O)N2CCCC2)C1	897768537	BOLSBBFZWNYRIF-LLVKDONJSA-N	360.435	2.397	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CN1CCN2C[C@H](O)C[C@H]2C1	895189837	XJZPCHOYGKUTNM-NWDGAFQWSA-N	361.667	2.059	10	10	FECE	
COc1cc(C)cc(CNCc2cnc(N3CCOCC3)c(F)c2)c1O	894471046	QEKRPPFCAPAYKC-UHFFFAOYSA-N	361.417	2.370	10	10	FECE	
CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(O)c(OC)c3)ccc21	797820196	KZEWCYLNVCUKTA-UHFFFAOYSA-N	364.379	2.129	10	10	FECE	
CN(C)c1ccc(CN2CCC[C@H]2CS(N)(=O)=O)c(C(F)(F)F)c1	792823187	QLMNNHADIZBWAU-ZDUSSCGKSA-N	365.421	2.024	10	10	FECE	
CS(=O)(=O)NCC1CCN(Cc2cc3c(cc2O)CCCC3)CC1	795678637	NMFHMQCEGQRJFG-UHFFFAOYSA-N	352.500	2.032	10	10	FECE	
CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@]1(CN)CN2CC[C@H]1C2	1881515611	LOTBHHMSLJTFHB-JXFKEZNVSA-N	360.502	2.181	10	10	FECE	
CCOC(=O)C(C)(C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1158716341	AXNQRJNVRQPDGT-QGZVFWFLSA-N	363.502	2.451	10	10	FECE	
CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)NCc2c(O)cccc2O)CO1	1304053945	WZIABZFLEWJQBT-QWHCGFSZSA-N	365.426	2.241	10	10	FECE	
c1cc(N2CCCC2)ccc1CN[C@@H]1CCN(c2ccc3nncn3n2)C1	1334906648	AJHCGKWOFAOYKD-QGZVFWFLSA-N	363.469	2.093	10	10	FECE	
COC(=O)C1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCOCC1	1447524422	NPTAGSGELJYTNM-UHFFFAOYSA-N	365.407	2.012	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(CC(F)F)n1C[C@H]1CCOC1	1516113334	JDESAAKCXWZNLU-GFCCVEGCSA-N	352.385	2.464	10	10	FECE	
Cc1ccc(C(=O)NCCC(=O)NCc2cccc(Cl)c2O)c(O)c1	1457035918	LURNOHANTWAFPV-UHFFFAOYSA-N	362.813	2.496	10	10	FECE	
C[C@@H]1CNc2c(C(=O)NCc3ccc(N4CCSCC4)cc3)cnn2C1	1518954149	MFLZZNMIBRPZOK-CQSZACIVSA-N	371.510	2.428	10	10	FECE	
CC(=O)Nc1cnccc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	1463779520	QSDSIVPFIMOTIM-UHFFFAOYSA-N	368.437	2.149	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1ccc(F)c(N2CCCNC2=O)c1	1468666224	FYVWQILEHPAVBT-UHFFFAOYSA-N	359.357	2.338	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1ncoc1-c1ccc2c(c1)OCCO2	1558174199	HCUNOSAANBFZHJ-UHFFFAOYSA-N	368.345	2.454	10	10	FECE	
CCOC(=O)c1cc(C(=O)NCc2cc(O)ccc2O)cc([N+](=O)[O-])c1	1633595135	JLLHFTOBQWXYKI-UHFFFAOYSA-N	360.322	2.113	10	10	FECE	
Cc1nc(CN2CCC(C(=O)NCc3c(O)cccc3O)CC2)cs1	1639289502	RPYDFUMRHKOBLB-UHFFFAOYSA-N	361.467	2.391	10	10	FECE	
C[C@H]1NC(C(=O)NCc2cc(Cl)ccc2O)=NN(c2ccccc2)C1=O	1583818197	YGEZDWCNKDLLQK-LLVKDONJSA-N	372.812	2.000	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1CC1([S@@](C)=O)CCC1	1764722265	CWOVFPWJKMOTGZ-RUZDIDTESA-N	362.499	2.484	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCCN(C(=O)C3CC3)CC2)c([N+](=O)[O-])c1	152835261	OFUOIOZJNIOIPW-XBXARRHUSA-N	373.409	2.230	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)c1nc(=NCc2ccc(F)c(F)c2O)[nH][nH]1	2130116881	GRCHYBVACWKZMD-MRVPVSSYSA-N	369.372	2.408	10	10	FECE	
C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1	2132409582	GUWDHBXGLFNJBK-MNOVXSKESA-N	366.414	2.179	10	10	FECE	
O=C(O)C[C@H](C(=O)O)N1C(=O)C(=CC=Cc2ccccc2)SC1=S	2040829622	HHZNREZBHSAEEX-LLVKDONJSA-N	363.416	2.372	10	10	FECE	
C[C@@H](N)c1ccc(N2CCC[C@H](S(C)(=O)=O)C2)cc1Br	312885153	VTUCMKFTTYTGSF-PWSUYJOCSA-N	361.305	2.482	10	10	FECE	
CC1(C)CN(c2ccc(CN)c(Br)c2F)CCS1(=O)=O	2170279753	YQQWJYIGHJUYGQ-UHFFFAOYSA-N	365.268	2.060	10	10	FECE	
C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)CCOc1ccc(N)cc1	2044620140	IUVKCGSWSSYXBY-ZDUSSCGKSA-N	351.447	2.409	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1nccs1)C(=O)N1CC[C@H](N=[N+]=[N-])C1	2060635790	PHJFOPJUZPVACY-WDEREUQCSA-N	366.447	2.490	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C1	2060611854	ZBHLUUCKYCHQLD-MLGOLLRUSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COC[C@H]1CC(=O)NCC1(CN=[N+]=[N-])CC1	2067675913	CAOZPCBGIDLGLP-NEPJUHHUSA-N	353.423	2.123	10	10	FECE	
C[C@H](Nc1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)c1ccccc1O	2192621049	YQJWSHFRQDISIX-ZDUSSCGKSA-N	366.421	2.056	10	10	FECE	
CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C[C@](C)(O)C(=O)O	2106419792	BASLRBAHCKTZFP-IBGZPJMESA-N	364.442	2.300	10	10	FECE	
COc1cc(N)c(N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)C2)cc1OC	2106840051	YLHOXHUKDOEKSR-GXSJLCMTSA-N	361.364	2.179	10	10	FECE	
COc1ccc(CNCC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(O)c1	2230155927	LHGDVUPXSPFBLK-LJQANCHMSA-N	366.458	2.252	10	10	FECE	
COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1O	2296102840	CQAOIUKPSORVEY-UHFFFAOYSA-N	356.309	2.206	10	10	FECE	
CN(C)c1ccc([C@H](CN)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)cc1	2286109220	IMYFUKXEWSLEPC-ZBFHGGJFSA-N	372.435	2.285	10	10	FECE	
COc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N(C)C)cc2)C1=O	2297219728	ODEBNRJOZAXRLV-UHFFFAOYSA-N	365.389	2.428	10	10	FECE	
COc1ccccc1C=C1SC(=S)N(CN2CCOCC2)C1=O	2297578376	XYKNIUKKIZXEKP-UHFFFAOYSA-N	350.465	2.186	10	10	FECE	
COc1ccccc1C1(CNC(=O)c2cc(O)c(O)c(O)c2)CCOCC1	1148590196	YKUQDKDYJRUFJE-UHFFFAOYSA-N	373.405	2.290	10	10	FECE	
COc1cc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)ccc1O	34235045	KWTFBANJZONJNS-UVTDQMKNSA-N	352.346	2.409	10	10	FECE	
O=[N+]([O-])c1cc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)ccc1O	133755409	JZEHPVAYZBJHNU-UHFFFAOYSA-N	374.378	2.346	10	10	FECE	
COC(=O)[C@H](C)N1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC1=S	97475189	SEYRALOSZSLTAC-KEXZDQNZSA-N	368.392	2.063	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc(NC4CC4)nc(C)n3)CC2)cc1	243098074	JALHWGXKCUKCOW-UHFFFAOYSA-N	367.453	2.330	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C\c1ccc(C(N)=O)cc1	255354597	BRAWYDHOBQJAOU-YHYXMXQVSA-N	351.406	2.290	10	10	FECE	
COc1cc(Br)cc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1O	368972678	HHFNGFVFLXDFEA-DUFXMDAXSA-N	369.259	2.249	10	10	FECE	
CN1CCN(c2ccc(CN3CC=C(c4ccnn4C)CC3)cc2)CC1	809690732	XOBVZOBULIOLSB-UHFFFAOYSA-N	351.498	2.461	10	10	FECE	
CC(=O)C(=O)COC(=O)CSc1nccn1-c1cccc(Cl)c1	808497004	NZALUFPEWJQEDE-UHFFFAOYSA-N	352.799	2.319	10	10	FECE	
C[C@@]1(C[C@@H]2CCCN2Cc2cc(Cl)c(F)cc2O)NC(=O)NC1=O	294500800	BNGSIWHBLNFSOD-QFYYESIMSA-N	355.797	2.137	10	10	FECE	
Cc1cc(CS(=O)(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)no1	735314362	NWKCRPHOOUXOKU-AWEZNQCLSA-N	365.455	2.000	10	10	FECE	
COc1cc(O)c(CN2CCC[C@H]([C@]3(C)COC(=O)N3)C2)cc1OC	905700053	DGJWBUMCHZIRJR-UGSOOPFHSA-N	350.415	2.120	10	10	FECE	
CCO[C@@H]1C[C@H](NC(=O)N[C@H](C)c2cc(OC)ccc2O)[C@@H]1n1cccn1	836496422	QQIQKPZYXUCLQC-XGWTYTTDSA-N	374.441	2.376	10	10	FECE	
CNC(=O)[C@@H](CNC(=O)Nc1ccc(N)cc1)Cc1ccc(F)cc1C	843043395	QXLGZEBDISEXGS-CQSZACIVSA-N	358.417	2.443	10	10	FECE	
CN1CCCc2cc(CNC(=O)NCCCNCc3cccnc3)ccc21	841760382	UZIMNNAIUXDGPB-UHFFFAOYSA-N	367.497	2.443	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1	917657905	HMRUQHMTRBOMEQ-HOTGVXAUSA-N	369.531	2.317	10	10	FECE	
CC[C@@H](NCC(=O)NCC(=O)N(C)Cc1ccccc1)c1ccccc1O	926966966	OTEVLPPTCLIRLH-GOSISDBHSA-N	369.465	2.208	10	10	FECE	
C[C@@H](CC(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CCCO1	850079451	NIGPBJQHSJUROS-YJBOKZPZSA-N	362.470	2.459	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H](CCC(C)C)NC(C)=O)C2)cc1	855225840	QUPFFLDPJBLGRP-QFBILLFUSA-N	361.486	2.331	10	10	FECE	
COc1ccc(F)c(NC(=O)C(=O)N[C@H](C)c2cc(OC)ccc2O)c1	756177593	GNKDGUYZPFTYFH-SNVBAGLBSA-N	362.357	2.364	10	10	FECE	
COCCn1ncc(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)c1C	864149743	NDOAIPSJAGFVHC-INIZCTEOSA-N	372.469	2.103	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H](C)O[C@@H]3C)cc2F)CC1	865201931	KPHJBFNZQNZJSL-ZMSDIMECSA-N	363.477	2.397	10	10	FECE	
CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)c3ccccc3O)ccc21	867834939	WAGBYEILQDWNMO-LBPRGKRZSA-N	360.435	2.341	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCO[C@H]([C@H](C)O)C1	862004568	ONEVCMHSWPJQSJ-KXBFYZLASA-N	356.422	2.128	10	10	FECE	
COC(=O)C(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C	778281908	BYIXRMQMHIRWOO-CYBMUJFWSA-N	359.378	2.390	10	10	FECE	
C[C@H](NC(=O)[C@H]1C[C@H](O)CCN1C(=O)OC(C)(C)C)c1ccccc1O	1877567724	OWRLKOACKUGSHN-GZBFAFLISA-N	364.442	2.330	10	10	FECE	
CC[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1CCCOC1	897808062	ITJQPGMHVYXIMF-MJGOQNOKSA-N	371.481	2.000	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CCN(CC(F)(F)F)C(=O)C2)c1O	796563054	VUESKLPFQJZZFI-UHFFFAOYSA-N	364.751	2.455	10	10	FECE	
Cc1ccc(O)c(CNC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)c1	1147956913	KEZKXYALXPDXJB-UHFFFAOYSA-N	353.353	2.316	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)c1ccc(N2CCNC2=O)cc1	1142727996	JUMGVUGRBYHYDG-UHFFFAOYSA-N	362.389	2.400	10	10	FECE	
COC[C@]1(C(=O)NCCCCN=[N+]=[N-])CCN(C(=O)OC(C)(C)C)C1	1963732173	IQIHIIMCICVXTK-INIZCTEOSA-N	355.439	2.467	10	10	FECE	
CC(C)N(Cc1ccc(N2CCN(C)CC2)c(F)c1)C[C@H]1CCC(=O)N1	1325241804	LBMCXBNCEIXGEL-QGZVFWFLSA-N	362.493	2.067	10	10	FECE	
CC1(CNC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)CCC1	1342551726	NZQCOROOWFPYLT-UHFFFAOYSA-N	361.511	2.162	10	10	FECE	
CC(C)[C@H]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1	1341061080	XMBDCSSATUUFKK-WMZOPIPTSA-N	373.497	2.205	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)[C@H]2Cc3cccnc3C2)N(C)C)cc1	1520647810	WZYNZEHRHUIQOK-PXNSSMCTSA-N	352.482	2.282	10	10	FECE	
COC(=O)[C@]1(O)CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1	1558102591	CVWDFAMBCWJODN-FQEVSTJZSA-N	356.422	2.153	10	10	FECE	
CC(C)(C)C(=O)Nc1nc(CC(=O)NCc2ccc(O)cc2O)cs1	1570462286	MKCXMLAEJNIVTF-UHFFFAOYSA-N	363.439	2.398	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1[C@@H](C)[C@@H](C)NC(=O)[C@H]1C	1673744439	LZVLYZJHRZYMDF-XUWVNRHRSA-N	360.502	2.299	10	10	FECE	
CC[C@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1O	1763375332	VBQJNXKIAFACOQ-BEFAXECRSA-N	360.458	2.285	10	10	FECE	
COc1ccc(/C=C2/SC(=S)N(N3CCOCC3)C2=O)c(OC)c1	2331286	SYQWJOODSYJNNZ-NTEUORMPSA-N	366.464	2.152	10	10	FECE	
C[C@H](NC[C@@H](O)CN1CCCCC1)c1ccc(N2CCC(O)CC2)cc1	151249764	UBAZZWBVJJHRSC-LAUBAEHRSA-N	361.530	2.145	10	10	FECE	
C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(O)c(O)c(O)c1	2132413360	MOCZSWPBGGUDJB-CMPLNLGQSA-N	366.414	2.179	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2cc(O)c(O)c(O)c2)C1	2132404081	OZLBMVJADOMICB-ZYHUDNBSSA-N	366.414	2.179	10	10	FECE	
CC1(C)[C@@H](CNCc2ccc(Br)cc2O)CCS1(=O)=O	1967856990	CHEBPNLYSYFPCY-LLVKDONJSA-N	362.289	2.458	10	10	FECE	
CO[C@](C)(CCNC(=O)OC(C)(C)C)[C@@H](N)Cc1ccc(O)c(O)c1	1952846647	FMIJFACHVWKZNB-MAUKXSAKSA-N	354.447	2.288	10	10	FECE	
C[C@@H](NCc1cc(Br)cc(F)c1O)[C@H]1CCS(=O)(=O)C1	2146102822	IVBFGTOMCVHUDZ-BDAKNGLRSA-N	366.252	2.207	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNCc2c(O)cccc2Cl)C1	702818664	KTPONOCTZUQUKU-ABAIWWIYSA-N	356.850	2.363	10	10	FECE	
CN1CCc2cc([C@@H](N)c3cc(CNC(=O)OC(C)(C)C)nn3C)ccc21	2163130441	HNODAOJZFKMXIV-GOSISDBHSA-N	371.485	2.485	10	10	FECE	
CN1CCc2cc([C@@H](CN)N3CCC34CN(C(=O)OC(C)(C)C)C4)ccc21	2194982401	OEGAUKAZFPUPTG-GOSISDBHSA-N	372.513	2.374	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(O)c(O)c2O)[C@H]2C[C@@H]21	2057598267	XQYQQKKGNUIEBQ-AGIUHOORSA-N	350.415	2.291	10	10	FECE	
C[C@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	2060487335	HNUATTOERRBPFI-BBATYDOGSA-N	350.415	2.060	10	10	FECE	
CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CC[C@@H](N=[N+]=[N-])C1	2060617956	UCEZROQRJXSHGU-FRRDWIJNSA-N	353.423	2.170	10	10	FECE	
CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NCC2(CN=[N+]=[N-])CC2)C1	2060632792	GDFBTQVDQFBXHK-AITUWYQGSA-N	353.423	2.265	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)CCOC1	2060638879	BWZJLZHFSOUYOH-WBMJQRKESA-N	353.423	2.362	10	10	FECE	
CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CC[C@@H](N=[N+]=[N-])C1	2063955074	SNWDPJLAAFRLKR-FRRDWIJNSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CC[C@H](N)c3ccccc32)=C[C@H]1O	2201006745	PVSGOQGGVMZZRT-ZMSDIMECSA-N	373.453	2.007	10	10	FECE	
COCC1(C(=O)N2CC[C@H](N=[N+]=[N-])C2)CC(NC(=O)OC(C)(C)C)C1	2218238372	FIHZENBYIALJSN-FZWSLVFFSA-N	353.423	2.218	10	10	FECE	
CSc1ncc(CN=c2cc(I)nc[nH]2)s1	2243834036	YSQVEPODHRGKCA-UHFFFAOYSA-N	364.237	2.294	10	10	FECE	
C[C@@H](NC(=O)[C@@H]1C[C@H](O)CCN1C(=O)OC(C)(C)C)c1ccccc1O	2332173037	OWRLKOACKUGSHN-NFAWXSAZSA-N	364.442	2.330	10	10	FECE	
CCCN(CCC)c1ccc(CN2CC[C@H](NS(C)(=O)=O)C2)cc1	93531368	FTSZUPSKPOOKMM-KRWDZBQOSA-N	353.532	2.437	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CN1C(=O)CSc2ccccc21	273177238	NQLFVIBYUJIRBJ-GFCCVEGCSA-N	372.446	2.284	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CC(C)(C)O[C@]3(CCOC3)C2)c1O	280272216	MPTCYIGLDHXOSO-QGZVFWFLSA-N	352.387	2.079	10	10	FECE	
COCCCn1c(C)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1	282872958	CXHDCXJETPBMPS-UHFFFAOYSA-N	363.437	2.097	10	10	FECE	
CCN(CC)c1ccc(CN(C)C[C@H]2CCN(S(C)(=O)=O)C2)cc1	801507222	BBVOLMANWRJHAR-QGZVFWFLSA-N	353.532	2.246	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CCOC[C@@H]3CC3CCC3)nc12	815292900	VEBFEYUITFVTGP-HNNXBMFYSA-N	374.441	2.003	10	10	FECE	
COC(=O)[C@@H]1CO[C@H](CCC(=O)NCc2c(O)ccc3c2CCCC3)C1	821070690	KRWGACIDFOTIOQ-LSDHHAIUSA-N	361.438	2.246	10	10	FECE	
COc1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)nc1	822518512	PCSFPGIXXJVQQV-UHFFFAOYSA-N	356.426	2.373	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCC[C@@H](n3cc(C(=O)O)nn3)C2)cc1	901523428	FWRJGWLVDVQNBL-NJELEJDNSA-N	355.442	2.393	10	10	FECE	
CCS(=O)(=O)NC1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1	835054508	WFCCOILHGKVOSI-AATRIKPKSA-N	351.516	2.170	10	10	FECE	
CCN[C@H](C)CNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	841867068	QIRQCZKXOJPHTA-QGZVFWFLSA-N	373.545	2.016	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)[C@]34C[C@H]5C[C@H](C(=O)N3)[C@H]4C5)cc2)CC1	845459111	MOCCSSHVIIOWCT-FAGZOMQFSA-N	367.493	2.454	10	10	FECE	
C[C@@]1(c2ccccc2)CCN(C(=O)C(=O)NCCc2ccc(N)cc2)C1	842235899	KVDVWNVXXIHBFQ-OAQYLSRUSA-N	351.450	2.118	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN[C@H]2CCC[C@@H]2Cc2cnn(C)c2)cc1	852561995	YVCQFNYTLIDEBX-QUCCMNQESA-N	369.513	2.103	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCCCCN(C)C3CC3)C2)cc1	852379488	QXZURIRUUVJLSE-INIZCTEOSA-N	360.502	2.448	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc4nnc(S)n4c3)C2)cc1	855223824	IAVJULKGLGOQLZ-ZDUSSCGKSA-N	369.450	2.035	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(CS(C)(=O)=O)c1	935946313	FKILDFGWGXGCBG-UHFFFAOYSA-N	368.451	2.353	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CCCn2nccc21	869218036	CJATYEDTLVLMBW-GOSISDBHSA-N	369.469	2.179	10	10	FECE	
COc1ccc(N2CCC(N3C(=O)N4C[C@H](OC)C[C@@]4(C)C3=O)CC2)cc1	865302118	NREZCVLPIURRJT-XLIONFOSSA-N	373.453	2.106	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@@H](C)c3cncnc3)cc2F)CC1	863866104	IOETXLTZMMQVRF-HNNXBMFYSA-N	371.460	2.178	10	10	FECE	
CCCOc1cncc(NC(=O)C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1	861738484	GTJVUJWROGHTDW-LBPRGKRZSA-N	373.409	2.401	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[C@@](CN)(C(C)(C)C)C1	866707168	SXVHXLIGQMHUAK-NRFANRHFSA-N	360.546	2.408	10	10	FECE	
CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2Cc3cccc(O)c3C2)s1	867690232	DRBJCLCVOMTVMK-SNVBAGLBSA-N	366.464	2.355	10	10	FECE	
COc1cccc([C@@H]2CN(Cc3cc4c(cc3O)OC[C@H]4O)CCO2)c1	768462509	MDHPGTMUJADKGM-QUCCMNQESA-N	357.406	2.400	10	10	FECE	
CC(C)(O)C[C@@H](O)CNC1CCN(c2ccc(OC(F)F)cc2)CC1	872199605	IMNSPGSMBMRIMH-OAHLLOKOSA-N	358.429	2.368	10	10	FECE	
COC(=O)N1CCC[C@@H]([C@H](C)NCc2ccc(N3CCN(C)CC3)cc2)C1	775349349	ZJEDAPWPMYVHHK-PKOBYXMFSA-N	374.529	2.395	10	10	FECE	
COC1(c2cnnn2C)CN(C(=O)c2sccc2-n2c(C)ccc2C)C1	1123989376	CNFAXKOHNXPMTK-UHFFFAOYSA-N	371.466	2.282	10	10	FECE	
COC1(c2nnc(N(C)Cc3ccccc3O)n2C[C@@H]2CCOC2)CC1	1123128909	PJHBRSGNVYAGBC-AWEZNQCLSA-N	358.442	2.292	10	10	FECE	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)C3COC3)c2C)cc1	785773576	QTOLPELXMBHIJP-UHFFFAOYSA-N	371.389	2.253	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCO[C@]3(CCSC3)C2)c([N+](=O)[O-])c1	1328136077	YWBFOBRJMXXEPK-NJELEJDNSA-N	364.423	2.493	10	10	FECE	
CN1C(=O)[C@H](O)c2ccc(N3C[C@@H]4CN(Cc5ccccc5)C[C@@H]4C3)cc21	705879429	QTAUGNGJRXZKRV-LLGFUMIMSA-N	363.461	2.265	10	10	FECE	
Cc1cc(CC(=O)N[C@H](C(N)=O)c2ccccn2)c(C)n1-c1ccccc1	1436439954	USOGKWGYSYOCRN-FQEVSTJZSA-N	362.433	2.374	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCCOc2ccc3c(c2)OCO3)cc1	1290961105	KXGCMLHZUGTEPY-UHFFFAOYSA-N	356.338	2.387	10	10	FECE	
COC(=O)CN(CCC(F)(F)F)Cc1ccc(N2CCOCC2)cc1	1615846906	RIRITTDHDFHSSD-UHFFFAOYSA-N	360.376	2.451	10	10	FECE	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1n[nH]cc1F	1545632434	LUBNFMBKVFYOKV-GFCCVEGCSA-N	352.797	2.302	10	10	FECE	
CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCc2ccc(O)c(O)c2)C1	2124217150	ILRKJJFQQOSZSQ-UHFFFAOYSA-N	364.442	2.450	10	10	FECE	
CC(=O)N1CCN(c2cccc(NC(=O)c3cc(F)c(F)cc3N)c2)CC1	1633073527	ZDRQIYQBWMKEDJ-UHFFFAOYSA-N	374.391	2.468	10	10	FECE	
Cc1cc(CCNC(=O)N2CC(=O)N[C@H](C)C2)c(C)n1-c1ccccc1	1684322330	MFSHPLZVVWYDDS-CQSZACIVSA-N	354.454	2.167	10	10	FECE	
c1ccc(CN2CC3(C2)CN(Cc2ccc(N4CCNCC4)cc2)C3)cc1	1235900804	STYXFNUTCPCRDN-UHFFFAOYSA-N	362.521	2.414	10	10	FECE	
COc1ccc(CNC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c(O)c1	397444302	VCVIPRCDGNJTSC-HNNXBMFYSA-N	352.431	2.126	10	10	FECE	
O=C(NC[C@]12CN(Cc3ccccc3)C[C@H]1CCO2)c1ccc(O)c(O)c1	2175199480	RQXDVLPZIRZLKE-UTKZUKDTSA-N	368.433	2.119	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)C(=O)C[C@H]3C[C@H](N)C3)CCC[C@H]12	2049786425	MCHOPFMANBVLMX-NGOJXBLDSA-N	350.459	2.432	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CCC[C@H](N=[N+]=[N-])C2)CO1	2060617290	LTHFEORCXYMMJD-AVGNSLFASA-N	353.423	2.312	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)CCc1ccc(N)cc1	2106707410	ORJRKFRRZOUJLI-FZMZJTMJSA-N	357.376	2.259	10	10	FECE	
CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C[C@@](C)(O)C(=O)O	2106419793	BASLRBAHCKTZFP-LJQANCHMSA-N	364.442	2.300	10	10	FECE	
C[C@@H]1CN(C(=O)COc2ccc(N)cc2)C[C@@H]1CNC(=O)OC(C)(C)C	2106693619	DVDVSVRFBKLLEM-KGLIPLIRSA-N	363.458	2.267	10	10	FECE	
CCN(C[C@H](O)COc1ccc(N)cc1)C[C@@H](C)NC(=O)OC(C)(C)C	2106754574	QPCRJZULNHVNPB-ZBFHGGJFSA-N	367.490	2.244	10	10	FECE	
CN1CCc2cc([C@H](N)[C@](C)(O)[C@H]3CCN3C(=O)OC(C)(C)C)ccc21	2107325151	RXYQLSLGHCTTPE-FUHIMQAGSA-N	361.486	2.439	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccnn2C)c1O	2204604787	IXBFEUZXJIBFLY-HNNXBMFYSA-N	374.441	2.316	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(C(=O)COc1ccc(N)cc1)C2	2272636396	KYXRBPGAMNPWFW-DJJJIMSYSA-N	361.442	2.021	10	10	FECE	
CN(C)CCN(CCN)Cc1cc(Cl)cc(Br)c1O	2265856321	IRDDMGGPLLNNMN-UHFFFAOYSA-N	350.688	2.130	10	10	FECE	
CCCNS(=O)(=O)N(C)Cc1ccc(C)c(Br)c1O	2352627119	UQBCVDCOCKZTTA-UHFFFAOYSA-N	351.266	2.139	10	10	FECE	
CCN[C@H](C)c1ccc(N2CCN(CCO)CC2)c(Br)c1	61695703	VGIHDWJUHJEABG-CYBMUJFWSA-N	356.308	2.234	10	10	FECE	
Cc1ccnc(N2CCC[C@H](C(=O)NCc3ccc(N(C)C)cc3)C2)n1	65001312	DFXZKUQTURTCJR-KRWDZBQOSA-N	353.470	2.384	10	10	FECE	
CCOCCCNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	93285688	CXLDZWOLTFECHL-UHFFFAOYSA-N	374.529	2.444	10	10	FECE	
c1cc(N2CCOCC2)ccc1CNCc1cnc(N2CCOCC2)s1	236705877	DMMWVXZOWLZFRE-UHFFFAOYSA-N	374.510	2.106	10	10	FECE	
C[C@]1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C[C@H]2CC[C@H]1O2	249855120	FVMFONXYIQDNCY-SBHAEUEKSA-N	358.482	2.469	10	10	FECE	
CCO[C@@H](CS(=O)(=O)N1CCOc2cc(N(C)C)ccc21)C1CC1	625024868	IGZSWCJQTMJTCC-KRWDZBQOSA-N	354.472	2.096	10	10	FECE	
Cc1cc(Cl)cc(CN2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1O	289369396	LGUBVKHOJSTGLY-CYBMUJFWSA-N	360.907	2.457	10	10	FECE	
C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C1(S(C)(=O)=O)CC1	804966500	AZLDISUZSRRUIH-AWEZNQCLSA-N	365.499	2.052	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cnn2c1CCCC2	819697113	PLQKZDNTEGSBNK-UHFFFAOYSA-N	357.410	2.131	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1C[C@H]2CNC[C@@H](C1)C2=O	826036067	VHRVLHDWRVENDX-YQQQUEKLSA-N	369.509	2.450	10	10	FECE	
C[C@@H]1COC2(CCC2)CN1C(=O)C(=O)NCc1ccc(N2CCCC2)cc1	827157626	FHFDRCAUQVSUCB-MRXNPFEDSA-N	371.481	2.073	10	10	FECE	
CN(C)c1ccc(/C=C\CNCC2CCN(S(C)(=O)=O)CC2)cc1	835036940	LYEFHFLBCYDDAS-PLNGDYQASA-N	351.516	2.027	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)c3sc(C)nc3C)C2)cc1	849416499	RITWITNBFRMYHV-CYBMUJFWSA-N	367.496	2.326	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)[C@H]3Cc4ccccc43)CC2)cc1	742056752	BPGPRTUKDUVDMF-NRFANRHFSA-N	365.477	2.273	10	10	FECE	
c1cc(N2CCOCC2)ccc1CN1CCn2c(CC3CC3)nnc2C1	846014163	PYAWZQOQBHNQJB-UHFFFAOYSA-N	353.470	2.083	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)NC(=O)COC(C)(C)C)c1	845832722	GJHYRENUDDRGSI-LBPRGKRZSA-N	366.458	2.288	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N3CCO[C@@H]([C@H](C)O)C3)cc2)CC1	840290975	BRQHKVHTIGKSQA-QFBILLFUSA-N	361.486	2.214	10	10	FECE	
COC[C@@H](CCNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)OC	852383660	HEFRUTVKQTYEFQ-MAUKXSAKSA-N	351.491	2.343	10	10	FECE	
CN1C(=O)c2ccccc2[C@H]1CNCc1ccc(N2CCOCC2)cc1	858284316	ZWYVRHNFYWJSBN-HXUWFJFHSA-N	351.450	2.440	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3C[C@@H]4COC[C@@]4(C)C3)CC2)cc1	853643677	KZRBGHLPSYRXQK-FOIQADDNSA-N	359.470	2.342	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCC([C@@]3(C)COC(=O)N3)CC2)c1O	932092912	HGTDFJUYDZYVKT-GOSISDBHSA-N	350.390	2.444	10	10	FECE	
Cn1ncc2cc(CNCc3ccc(N4CCOCC4)c(F)c3)cnc21	865418668	MUPMCNRQJFNZQD-UHFFFAOYSA-N	355.417	2.234	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC(Cc3cccs3)C2)c1	863596290	SKAGFVKFZUWPPL-UHFFFAOYSA-N	366.464	2.140	10	10	FECE	
CC1(C)[C@@H](O)[C@H]2CCCN(C(=O)NCc3ccc(N4CCOCC4)cc3)[C@H]21	868131119	ZHKORCUDGLXTKR-OTWHNJEPSA-N	373.497	2.214	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)c1O	879919867	IVTIMRHNFJRPLU-HOTGVXAUSA-N	353.390	2.086	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@@H]3[C@@H]4CCCO[C@@H]43)cc2F)CC1	779920314	GCNVDMDSDWYBEW-IPELMVKDSA-N	361.461	2.009	10	10	FECE	
COC(=O)c1c(CNC[C@H](OC)[C@@H]2CCOC2)c2cc(F)ccc2n1C	895225490	JIMFNFNSRLTAJP-PXAZEXFGSA-N	364.417	2.245	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@@H]4C[C@H]4C3)cc2)CC1	894593340	RISHFIDOIXKMTL-KURKYZTESA-N	355.482	2.441	10	10	FECE	
CON(CCNC(=O)OC(C)(C)C)C(=O)/C=C\c1ccc(O)c(O)c1	1159688399	HUCARFRGQPWMMX-VURMDHGXSA-N	352.387	2.026	10	10	FECE	
O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N[C@H]1CCS(=O)(=O)C1	1162090285	GDMBJAXYPXARQO-ZDUSSCGKSA-N	360.391	2.425	10	10	FECE	
Cc1ccc(O)c(CNC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)c1	1167293594	KRBRTBVFAZOJEO-UHFFFAOYSA-N	353.338	2.120	10	10	FECE	
CC[C@H](C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1	1344246826	QORDTAODVWDHKA-KCQAQPDRSA-N	363.458	2.160	10	10	FECE	
CON(C)c1nnc([C@@H]2CCOC2)n1CCCSc1nccs1	1505095413	KPAVOJOBNSCJIP-LLVKDONJSA-N	355.489	2.419	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)cc1	1441956322	JPNLWXLXVZCQFB-SNVBAGLBSA-N	357.336	2.463	10	10	FECE	
C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO)c1cc(O)ccc1O	2116266658	PWJBBMYLSIPEGC-WOSRLPQWSA-N	366.458	2.366	10	10	FECE	
Cc1cc(CC(=O)NC[C@H](O)[C@H](C)O)c(C)n1-c1ccc(Cl)cc1	1470645272	PZHDFASUGVLUJO-GUYCJALGSA-N	350.846	2.148	10	10	FECE	
CC1=C(C)C(=O)N(CCC(=O)NCc2c(O)ccc3ccccc23)C1=O	1558555071	SDFDZKMETAMEBO-UHFFFAOYSA-N	352.390	2.257	10	10	FECE	
COc1ccccc1N1CC[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)C1	1632066629	YJTFCVVYBVQPOG-HNNXBMFYSA-N	356.422	2.292	10	10	FECE	
CN(CC(=O)NCc1ccccc1)C(=O)c1ccc(N=NC(N)=O)cc1	1639515980	HIZPXJWZSHIXKT-UHFFFAOYSA-N	353.382	2.237	10	10	FECE	
Cc1cc(CNC(=O)CN2CCC(CO)CC2)c(C)n1-c1ccccc1	1631794041	MBZSIXGUJDGSEI-UHFFFAOYSA-N	355.482	2.415	10	10	FECE	
COc1cc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)ccc1CO	2139685136	PCCYOLSYDHKBET-FPOVZHCZSA-N	354.450	2.277	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H](NCc3ccc(O)cc3O)CO2)C1	2137113394	WPOMIVPXOPPCHL-AUUYWEPGSA-N	364.442	2.356	10	10	FECE	
C[C@@H](N)c1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@H]32)c(Br)c1	2151276211	RQQOOYLATXGBDR-GLXFQSAKSA-N	359.289	2.092	10	10	FECE	
COc1ccc(O)c([C@@H](C)n2ncc(CN)c2I)c1	2070404533	NLLQTIYCCDUCNL-MRVPVSSYSA-N	373.194	2.270	10	10	FECE	
CC(C)(C)OC(=O)N[C@@](C)(C(=O)N1CC[C@@H](CN=[N+]=[N-])C1)C(C)(C)O	2060640536	WJLDUTVKDUBGJD-ZBEGNZNMSA-N	355.439	2.200	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2060634719	CSGHUANXEOFWAB-STQMWFEESA-N	355.439	2.201	10	10	FECE	
COc1cc(N)c(N2CCOC[C@@H]2CNC(=O)OC(C)(C)C)cc1OC	2106817121	XKSDQJZGLJBJHV-LBPRGKRZSA-N	367.446	2.016	10	10	FECE	
Cc1cc(C=CC(=O)N2CC[C@H](CO)[C@H](O)C2)c(C)n1-c1ccccc1	2312495545	OSPKYUIGDQBLHP-UYAOXDASSA-N	354.450	2.309	10	10	FECE	
CN(C(=O)c1cccc(O)c1O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F	2320528262	TVRSJWZXKMZHAK-RYUDHWBXSA-N	354.378	2.127	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2333612967	GZSKHAOKXKJHQY-LKQDWFRTSA-N	365.434	2.360	10	10	FECE	
Cc1cc(C(=O)NCC(=O)NCc2ccco2)c(C)n1-c1ccccn1	106073746	BLSJDSPLSGEUKH-UHFFFAOYSA-N	352.394	2.128	10	10	FECE	
COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)c1ccc(-n2c(C)ccc2C)cc1	111147210	AMYZWRRELVIXHI-MSOLQXFVSA-N	356.422	2.497	10	10	FECE	
COc1cccc(CNC(=O)CCc2nc(-c3ccncc3)no2)c1O	68489041	USANYSAKBDFYNP-UHFFFAOYSA-N	354.366	2.095	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N[C@H](C)c1c(O)cccc1O	305891013	JKVBAIBZKXNPMW-JMSVASOKSA-N	352.431	2.383	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)OCCN1CCCCC1=O	255026222	NKLJLVMZLPILJR-TWGQIWQCSA-N	358.438	2.092	10	10	FECE	
COc1cccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)c1O	369035690	IPAXXUIJNZYHHV-OAHLLOKOSA-N	370.405	2.027	10	10	FECE	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(F)s1	822758978	FQEHARGNLNBONM-UHFFFAOYSA-N	368.455	2.052	10	10	FECE	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cc2cnnn2C)cc1	821103583	OKCHCOTVMMGUSC-UHFFFAOYSA-N	353.426	2.246	10	10	FECE	
Cc1cnn(C)c1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	824379637	JUVMJGDFRALDPM-UHFFFAOYSA-N	357.458	2.259	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCN(c3ccc(C(N)=O)cn3)CC2)cc1	835024760	CKKKWMIJKJDLGP-ARJAWSKDSA-N	365.481	2.082	10	10	FECE	
COc1c([N+](=O)[O-])ccc([C@@H]2NC3(CC3)C(=O)N2c2ccccc2)c1O	840828142	JYQSULWZPLHCQZ-MRXNPFEDSA-N	355.350	2.477	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@H]([C@@H]2CCOC2)C1	747952102	ZREHNGGODJNJSF-RBUKOAKNSA-N	373.497	2.481	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)[C@@]23C[C@H]4C[C@@H](C(=O)N2)[C@H]3C4)cc1F	845469562	URTFHYNVPKNECI-DSEONOSFSA-N	359.445	2.203	10	10	FECE	
C[C@H]1CN(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C[C@@H](C)O1	917926900	RACGVSBLMHUEHB-GASCZTMLSA-N	367.515	2.071	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H]3CCN(C)C[C@@H]3C)C2)cc1	854300731	YZEBUQAKZJRTEF-TXPKVOOTSA-N	360.502	2.256	10	10	FECE	
C[C@H]1CC2(CO1)CC(NCc1ccc(N3CCC(C(N)=O)CC3)cc1)C2	926874525	UVHANXYKDZKVBB-SBGRQLAYSA-N	357.498	2.436	10	10	FECE	
Cc1ccncc1CCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1	851990240	PVVAWHSJHKEMIN-UHFFFAOYSA-N	372.444	2.408	10	10	FECE	
CCOC(=O)C1(CC(=O)NCc2ccc3c(c2)CCCN3C)CCOCC1	865052756	FFFXKEGETOGONG-UHFFFAOYSA-N	374.481	2.435	10	10	FECE	
C[C@@H]1C[C@H](c2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)CCO1	762286892	FBFWWGABNUUDFC-NXEZZACHSA-N	353.400	2.096	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)Nc3ccc(F)cn3)CC2)cc1	775730145	HALVZNFNBTTZQK-UHFFFAOYSA-N	373.432	2.173	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3CCC4=C(CCC(=O)N4)C3)ccc21	1118591896	GSQCGNXHMWYMDJ-UHFFFAOYSA-N	354.454	2.148	10	10	FECE	
COc1ccc(C(=O)NCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1	773991477	YPVBBJCENTTZSI-CQSZACIVSA-N	355.438	2.368	10	10	FECE	
CO[C@H]1COCC[C@H]1N(C)c1nnc(-c2sccc2O)n1CC1CC1	1123422414	AAVVXCVHNLQXAH-OCCSQVGLSA-N	364.471	2.362	10	10	FECE	
COC[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@@H]1CCCOC1	899650834	HRDGPHBBXSHIPE-ZYHUDNBSSA-N	351.424	2.484	10	10	FECE	
C[C@@H](NC(=O)c1cc(S(C)(=O)=O)ccc1N)c1ccc(N(C)C)cc1	1154667970	ASPIPUKGJHCNFK-GFCCVEGCSA-N	361.467	2.229	10	10	FECE	
COc1cc(CCC(=O)NCc2c(O)cccc2O)cc(OC)c1OC	1156881073	OBEHJVCJGNTLLO-UHFFFAOYSA-N	361.394	2.373	10	10	FECE	
COc1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1OCCO	1162612628	NGWZXKGCWRCIFV-UHFFFAOYSA-N	368.389	2.250	10	10	FECE	
O=C(NC1C[C@@H]2C[C@H]2C1)C(=O)N(Cc1ccco1)Cc1ccccc1O	1332068638	SVASZMSURVUGPS-GJZGRUSLSA-N	354.406	2.429	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NCc1ccc2c(c1)CCN2C	2122554826	VHOMOGDFTBSKQH-SJLPKXTDSA-N	361.486	2.403	10	10	FECE	
CCOCc1nnc(N(C)Cc2ccccc2O)n1CCC1(O)CCC1	1616690092	SPMQYYMTVZHFIS-UHFFFAOYSA-N	360.458	2.462	10	10	FECE	
COc1ccc(CNC(=O)c2cc3nccc(C(F)(F)F)n3n2)c(O)c1	1639458776	HCAWSPFVJWKKHW-UHFFFAOYSA-N	366.299	2.392	10	10	FECE	
C[C@@H](NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccc[nH]1	1564496473	UUKZCTCYIUVCAT-CQSZACIVSA-N	369.469	2.277	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)OCC12CC2	2127542639	JIZSWCAWHIEVCH-QWHCGFSZSA-N	365.434	2.314	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CC(=O)N(CC2CC2)C1	1684841050	LAQUNPLZHKPOBD-SFHVURJKSA-N	370.497	2.439	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1CC(=O)N1CCC(CN=[N+]=[N-])CC1	2131404007	KXOABQUZQRWHKX-UONOGXRCSA-N	367.450	2.465	10	10	FECE	
CN1CCc2cc([C@@H](CN)N3CC(N(C)Cc4ccccc4)C3)ccc21	1914218215	UKSCVPIJQMXNMG-JOCHJYFZSA-N	350.510	2.495	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(CNC(=O)c2cccc(O)c2O)C1	2136066504	PXWXBQNNJHAFKK-HXPMCKFVSA-N	362.426	2.475	10	10	FECE	
COc1ccc([C@@H](C)N[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c(O)c1	1918712965	AVFRJEZVFFAELQ-OLZOCXBDSA-N	366.458	2.422	10	10	FECE	
C[C@H](N[C@H]1[C@H]2OCC[C@@H]2[C@H]1NC(=O)OC(C)(C)C)c1cc(O)ccc1O	311299046	IAHURSOBSUXLDD-VYLBPMEXSA-N	364.442	2.429	10	10	FECE	
CN[C@H](c1ccc(N(C)C)cc1)[C@@H](CN(C)C)NC(=O)OC(C)(C)C	2044748159	NMCNAELIOGJLEG-IAGOWNOFSA-N	350.507	2.468	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2060622219	XJZBELWFZVBGDC-OLZOCXBDSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](C)(CNC(=O)COc2ccc(N)cc2)C1	2106267670	CNRANPBKBUWNLS-LJQANCHMSA-N	363.458	2.411	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)CCOc1ccc(N)cc1	2106232152	ISGQEIDDXFPIQR-XJKSGUPXSA-N	363.458	2.409	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](CNCc2ccc(O)cc2O)C[C@@H]2COC[C@H]21	2097568709	XGMOIGYVGVFWHN-IJEWVQPXSA-N	364.442	2.212	10	10	FECE	
CC(C)(C)OC(=O)NCCn1cnc(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])c1	2225791345	CQFXRZFBBAARIY-RYUDHWBXSA-N	363.422	2.369	10	10	FECE	
CC(C)(C)OC(=O)NC12COC(C(=O)N[C@@H]3CCC[C@@H]3N=[N+]=[N-])(C1)C2	2254811955	TZJLHVHCNYMGLN-LKWWYQRQSA-N	351.407	2.160	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1	2288269267	ZXWIWGNLPCUSJR-LAPQFRIASA-N	374.485	2.442	10	10	FECE	
Cc1cc(C=CC(=O)N[C@@H]2CCC(=O)NC2=O)c(C)n1-c1ccccc1	2302473360	OOSDZUSIAQINQM-QGZVFWFLSA-N	351.406	2.029	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c1	55136550	OOBHLYCMIHXVJY-SECBINFHSA-N	366.361	2.178	10	10	FECE	
CC[C@H](CO)N1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1	179393490	YTIKPPZHLKKKHE-QGZVFWFLSA-N	356.470	2.018	10	10	FECE	
CN1C(=O)C[C@@H](C(=O)NCc2ccc(O)c(O)c2)[C@@H]1c1ccc(F)cc1	182516477	MZYFBDGCKHIITF-KDOFPFPSSA-N	358.369	2.073	10	10	FECE	
COc1cccc(CNC(=O)NC/C=C/CNC(=O)OC(C)(C)C)c1O	812470775	VSXRLLSMOQZKIZ-AATRIKPKSA-N	365.430	2.281	10	10	FECE	
CCCC[C@H](NC(=O)/C=C\c1ccc(N2CCOCC2)cc1)C(=O)OC	588457734	ZOUQSSOCVLJILE-YFWYWMRJSA-N	360.454	2.384	10	10	FECE	
C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3COC(=O)N3)cc2Cl)C1	831804924	PTPBKINGANRNDV-FZMZJTMJSA-N	351.834	2.301	10	10	FECE	
Cc1cc(C(=O)CN(C)Cc2nc[nH]n2)c(C)n1-c1ccc2c(c1)OCO2	746478098	NMONNFJGQYSABJ-UHFFFAOYSA-N	367.409	2.256	10	10	FECE	
CN1CC[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	742804726	AZUWBTKYEYFCAW-ZIAGYGMSSA-N	353.413	2.325	10	10	FECE	
C[C@@H]1CCCN(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)C1	917912260	OHERYMYNNXKRAI-OAHLLOKOSA-N	369.556	2.306	10	10	FECE	
C[C@@H]1CCN(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1	847591219	SCIJPPUUJXUEKD-PBHICJAKSA-N	365.905	2.468	10	10	FECE	
COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NCc1cc(F)c(N2CCOCC2)c(F)c1	850322800	IJSZVFLYBBXYJI-MRVWCRGKSA-N	354.397	2.089	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2C=C[C@H](CO)C2)C1	683496231	XHTIFQFVYWKALO-DLBZAZTESA-N	367.493	2.461	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCC3=C(CCC(=O)N3)C2)c([N+](=O)[O-])c1	853744959	GLJIFSDLLAGNIK-CLTKARDFSA-N	357.366	2.155	10	10	FECE	
CN1CC[C@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1(C)C	858104347	HIDQSLVMHPRYJZ-ROUUACIJSA-N	358.530	2.351	10	10	FECE	
CC1(C)C[C@H](S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)CO1	858907897	IBORZEMIPGMAFI-INIZCTEOSA-N	370.540	2.227	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H]4[C@@H](CCCN4C)C3)C2)cc1	854300499	URXSOAKKIWATIL-ZWOKBUDYSA-N	372.513	2.400	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNc3ncc(F)cc3[N+](=O)[O-])cc2)CC1	865715165	KRVDTWSIZMTYFM-UHFFFAOYSA-N	373.388	2.410	10	10	FECE	
O=S(=O)(c1cccnc1OCC(F)F)N1Cc2cccc(O)c2C1	867690776	MRCZPFBBKPZAMB-UHFFFAOYSA-N	356.350	2.136	10	10	FECE	
Cc1cc(C(=O)CN2C[C@@H](O)C[C@H]2C)c(C)n1-c1ccc2c(c1)OCO2	788275901	QBBFYIVLIIRHQS-WBMJQRKESA-N	356.422	2.461	10	10	FECE	
Cc1noc(C)c1S(=O)(=O)NCc1cc(Br)ccc1O	796191602	MTFVFRCQWKHEKY-UHFFFAOYSA-N	361.217	2.238	10	10	FECE	
CCC[C@@H](CNC(=O)N1CCN(c2ccc(OC)cc2OC)CC1)OC	1228975268	WGJGBKSWAULUTC-INIZCTEOSA-N	365.474	2.351	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)N3CCC[C@H]3C3CC3)C2)cc1	1325973442	HMKATYSMLYNJKU-BEFAXECRSA-N	371.481	2.039	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CC[C@@H](c3cc(O)nc(O)n3)C2)c1O	1171665173	ACGLQBXOKIEEOU-SNVBAGLBSA-N	363.801	2.439	10	10	FECE	
C[C@@H](NC(=O)Cn1ncc(=O)c2ccccc21)c1ccc(N(C)C)cc1	1269588432	RCWYOWXEKVODQK-CQSZACIVSA-N	350.422	2.340	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3CC[C@@H]4CCCCN43)CC2)cc1F	1445838629	BOKHMGCSPQOMDW-MAUKXSAKSA-N	361.461	2.500	10	10	FECE	
CCC[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CCN1CCOC	1295227546	OREATSHYWUCYLH-MRXNPFEDSA-N	361.446	2.422	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)Cc2ccc(O)c(O)c2)C1	1467428537	WJDNKRSTUSCGFG-LJQANCHMSA-N	364.442	2.404	10	10	FECE	
Cc1cc(CCNC(=O)C2CN([C@@H]3CCOC3)C2)c(C)n1-c1ccccc1	1470850557	ZMIIBUXWGHSPEF-OAQYLSRUSA-N	367.493	2.474	10	10	FECE	
CCOCCN(CC)c1nnc(C)n1Cc1ccc(N2CCOCC2)cc1	1710816293	SHCGTJJIJMLQBA-UHFFFAOYSA-N	373.501	2.334	10	10	FECE	
COC(=O)c1ccc(F)c2c1CN(C(=O)Cc1ccc(O)c(O)c1)CC2	1640550128	XMFUKXQZXRHFPY-UHFFFAOYSA-N	359.353	2.151	10	10	FECE	
COc1ccc(N2CCN(c3nnc(C)n3C[C@@H](C)OC)CC2)cc1F	1770258839	RBDQERDZSCTDLQ-CYBMUJFWSA-N	363.437	2.096	10	10	FECE	
CN(C)c1ccc([C@@H](NC(=O)/C=C/c2cncnc2)c2nccn2C)cc1	1866147756	LIZLATPOPZMOIU-ROSSNEFBSA-N	362.437	2.195	10	10	FECE	
C[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1CNC(=O)OC(C)(C)C	2132402791	FIYWHISEISYIAG-ZYHUDNBSSA-N	366.414	2.036	10	10	FECE	
Cc1cc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)ccc1N(C)C	1139670331	KOMVOIHKWGVUIE-QGZVFWFLSA-N	363.502	2.475	10	10	FECE	
Nc1ccc(OC[C@@H](O)CN(Cc2ccccc2)[C@@H](CO)C2CC2)cc1	1915199358	WSNVSJRLAYDUOH-FPOVZHCZSA-N	356.466	2.282	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H](CC(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1	2135932822	AUCYDBBLZFGIAK-ZIAGYGMSSA-N	367.450	2.419	10	10	FECE	
CN[C@@H](c1ccccc1O)C1(O)CC(COC)(NC(=O)OC(C)(C)C)C1	1920785204	NUFHBJQHIFLARW-MNNVXMFVSA-N	366.458	2.088	10	10	FECE	
COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NCc2ccc(C)cc2O)C1	1967839303	JPCQKHIJXLDBII-QUWSVYMGSA-N	364.442	2.389	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@H](O)C(F)(F)F	1951424490	LDGIDCCRCGMRKB-CABZTGNLSA-N	351.321	2.457	10	10	FECE	
CCN[C@@H](c1ccccc1O)[C@@H]1Cn2cnnc2CN1C(=O)OC(C)(C)C	2146242783	WPAHBHVSACFTLL-YOEHRIQHSA-N	373.457	2.454	10	10	FECE	
Nc1ccc(CCC(=O)NCCN2CCN(Cc3ccccc3)CC2)cc1	390540086	GXPXGWQUTPTZGO-UHFFFAOYSA-N	366.509	2.135	10	10	FECE	
CCN(CCNC(=O)OC(C)(C)C)CCC(=O)Nc1ccc(N)cc1	2044602259	NOZJLZFOTQMENY-UHFFFAOYSA-N	350.463	2.444	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)NCC2(CN=[N+]=[N-])CC2)CCCOC1	2060617350	MIHGPLYHKKERAN-INIZCTEOSA-N	353.423	2.267	10	10	FECE	
CN(c1ccc(N)cc1)S(=O)(=O)c1c(N)cccc1Br	2191763541	JZULHVADWXTXMW-UHFFFAOYSA-N	356.245	2.439	10	10	FECE	
Cc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c(O)c1	2084072354	SQYWEOJGACJBDN-HZPDHXFCSA-N	350.459	2.408	10	10	FECE	
CC(C)(C)OC(=O)NC1[C@H]2CN(C(=O)CCOc3ccc(N)cc3)C[C@H]12	2107818408	YOVGRSYHWVSWJM-GJZGRUSLSA-N	361.442	2.019	10	10	FECE	
C[C@@H](NCCn1cnc(I)c1)c1cc(O)ccc1O	2228829699	FJIKILAVCJBLHH-SECBINFHSA-N	373.194	2.250	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N[C@H]3CCC[C@@H](C(N)=O)C3)CC2)cc1	172578422	IGHWCNGDWHLASU-ZBFHGGJFSA-N	374.485	2.007	10	10	FECE	
CN(c1ccc(CN)c(Br)c1)[C@@H]1CC[C@H](S(C)(=O)=O)C1	2361593113	LZGAXYADZXSPBC-YPMHNXCESA-N	361.305	2.310	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCN(c3cc(C4CC4)n[nH]3)CC2)cc1	186879533	WJASGVCREHHRBP-UHFFFAOYSA-N	368.485	2.385	10	10	FECE	
O=C1NC(=O)[C@@H]2ON(Cc3ccccc3)[C@H](c3cc(Cl)ccc3O)[C@H]12	253616035	WXHIDBWCCWACDE-ARFHVFGLSA-N	358.781	2.175	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H](Cc4ccncc4)C3)cc2N1	374676027	GOPVYHOBSRZZAY-ZDUSSCGKSA-N	354.366	2.390	10	10	FECE	
COc1cccc(O)c1CN1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21	809770511	ZIVTZBBQDCDGDR-HUUCEWRRSA-N	368.433	2.410	10	10	FECE	
O=S(=O)(Nc1ccccc1Cn1cncn1)c1cc(F)cc(F)c1O	821163644	YVJGANKLFMKTCS-UHFFFAOYSA-N	366.349	2.111	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)N[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cc1	825795153	HNSFAXAXGTWVMK-KZNAEPCWSA-N	372.513	2.305	10	10	FECE	
Cc1nccn1CC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	837508716	WKBJVNNKDJOVPM-UHFFFAOYSA-N	367.497	2.040	10	10	FECE	
CCOCCCN1CC[C@@H](NC(=O)NCc2c(O)cccc2F)[C@@H](C)C1	919049852	FSXBLUFQOZBVPA-WMLDXEAASA-N	367.465	2.468	10	10	FECE	
O=C(O)/C=C/c1ccc(N2CCC[C@@H](Cn3ccnn3)C2)c([N+](=O)[O-])c1	844214505	GKBKGTBYAOPBFP-YVARQFDVSA-N	357.370	2.201	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(N(C)C)ccn3)C2)cc1	923182995	JVGRVQIDFNRKAQ-HNNXBMFYSA-N	369.469	2.234	10	10	FECE	
O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@H]1CN(C2CC2)C(=O)O1	847463965	FLTHOGHKQOPVHQ-NSHDSACASA-N	374.224	2.481	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3C[C@@H](C)n4ncnc43)C2)cc1	852386408	FHGIUXGYDZYVCW-CKEIUWERSA-N	370.457	2.118	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCO[C@@H](CC(F)(F)F)C2)cc1	852739776	GFLAUMRGMOUHGB-HNNXBMFYSA-N	359.392	2.022	10	10	FECE	
C[C@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1nccn1C	852012258	HLXGZGXWPAWTJH-CABCVRRESA-N	357.458	2.378	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@H](CO)c3ccccc3)C2)cc1	852454984	RPWBVIHCNHFSLB-VQIMIIECSA-N	355.438	2.307	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccccc3)C2)cc1	852453262	JQORJRWDIAWWFF-LPHOPBHVSA-N	355.438	2.307	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc3oc(=O)n(C)c3c2)c1	858900545	TZENJGACHVXSBW-LLVKDONJSA-N	371.393	2.406	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)Cc3ccnc(OC)c3)C2)cc1	854980772	GOLYZFYTHJNNPF-MRXNPFEDSA-N	355.438	2.284	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1	850556877	KJXJXTAQIMLHFK-GDIGMMSISA-N	374.481	2.473	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1CC12CC(OCC)C2	868966036	JAHAWVQSJZCNCS-LFDOHDQPSA-N	361.438	2.489	10	10	FECE	
CCc1nnc(O)c(C(=O)NCc2ccc3cccnc3c2O)c1CC	862027456	SQMGIGKPSIRAPT-UHFFFAOYSA-N	352.394	2.491	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)c1cnn(-c2cccc(Cl)c2)n1	777417713	WFHCIHADUOEYRX-UHFFFAOYSA-N	358.785	2.304	10	10	FECE	
C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1	1119019064	IZSVGZQYZULBLP-GXFFZTMASA-N	356.344	2.424	10	10	FECE	
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1	775286016	JRBRJQNTXCOBRN-UHFFFAOYSA-N	351.340	2.060	10	10	FECE	
CC[C@]1(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CCNC1=O	1125089632	GJXVDAOLLAWWHC-NRFANRHFSA-N	362.385	2.317	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)c2cc3c(=O)[nH]c(C)cn3n2)cc1	1123582666	MDYJIVJVCVANRA-UHFFFAOYSA-N	367.453	2.449	10	10	FECE	
COc1ccc(O)c(CNC(=O)C(=O)Nc2cc(C)n([C@@H](C)C3CC3)n2)c1	784708118	VGDYHAJVPIGQCO-LBPRGKRZSA-N	372.425	2.132	10	10	FECE	
CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1[C@@H]1C[C@H]1CF	1303333967	HGBRQKCGFFXAQR-UONOGXRCSA-N	361.421	2.289	10	10	FECE	
Cc1cccc(O)c1CNCCn1cc(I)cn1	1963064645	YIPZXZFWGLWXLV-UHFFFAOYSA-N	357.195	2.292	10	10	FECE	
COc1cccc(F)c1CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C	1335759122	MJBVBMCBVXCLTI-UHFFFAOYSA-N	373.428	2.141	10	10	FECE	
Cc1nc[nH]c1CC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	1446240296	KBSOQDVASRMPPL-UHFFFAOYSA-N	367.497	2.109	10	10	FECE	
COc1cccc(O)c1CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO	2116272329	CBYABMRRYDLIAK-UKRRQHHQSA-N	366.458	2.108	10	10	FECE	
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCc2c(O)cccc2O)cc1	1456235768	NXQPZMXJPROZIN-MRXNPFEDSA-N	354.406	2.214	10	10	FECE	
CN1C[C@H](C(=O)NCc2ccc3cccnc3c2O)c2ccccc2C1=O	1627073208	MGEBKBIJABEIPA-KRWDZBQOSA-N	361.401	2.426	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2	1627026253	AAZLNRCTXRVPLP-UHFFFAOYSA-N	365.338	2.445	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1ccc2c(c1)NC(=O)CO2	1638348266	QBGRZXZMYCOFNI-RPTYSRGTSA-N	368.389	2.189	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)NCc1ccccc1O	2124102723	FMMMAUHJMABIDI-CABCVRRESA-N	364.442	2.280	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc(C)cc(C=O)c3O)CC2)cc1	1630082026	SCVZWDMZEJXDTE-UHFFFAOYSA-N	354.406	2.484	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)/C=C\[C@H]3COC(C)(C)O3)C2)cc1	1630618696	DXULSXLKEBDAEJ-VFGATPKVSA-N	360.454	2.345	10	10	FECE	
CCOc1cc(C(=O)N(C)C)ccc1NC(=O)Cc1ccc(O)c(O)c1	1630842862	QBPYKAODEAFJLE-UHFFFAOYSA-N	358.394	2.380	10	10	FECE	
Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)NCCc2ccc(O)c(O)c2)c1	1631510344	NEUSJUXWXPMPDA-QGZVFWFLSA-N	368.433	2.370	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2124531013	AKDAGBLEDUTHNZ-UONOGXRCSA-N	367.450	2.465	10	10	FECE	
Cn1cc(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)c(CNC(=O)OC(C)(C)C)n1	2124538356	IWFRMCADWLPYTM-LLVKDONJSA-N	363.422	2.217	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2124505203	IZNJGALMCIEIMI-HZSPNIEDSA-N	367.450	2.417	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CCCC2)n1Cc1ncn(C)n1	1768682074	RWFIOPFFSOXNQW-UHFFFAOYSA-N	367.457	2.455	10	10	FECE	
CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccc(N3CC=CC3)cc1)CC2	155177013	IEEZNVKJLXFXFE-MRXNPFEDSA-N	366.469	2.031	10	10	FECE	
CN(C)c1ccc([C@H](NC(=O)c2cc(O)cc(O)c2)c2nccn2C)cc1	1866088334	XAVLCQJDOCJQGL-SFHVURJKSA-N	366.421	2.417	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(CC(=O)NCc2ccc(N)cc2)CC1	2136204975	HITQEBRDERAXSD-UHFFFAOYSA-N	363.458	2.037	10	10	FECE	
C[C@@H](c1c(O)cccc1O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O	2136356947	FUMITZQZMXUWLV-RYUDHWBXSA-N	366.414	2.165	10	10	FECE	
C[C@H](NCc1ccc(F)c(F)c1O)C1(O)CN(C(=O)OC(C)(C)C)C1	1918697963	VHLSZQCFMOXTMI-JTQLQIEISA-N	358.385	2.130	10	10	FECE	
CN1C(=O)[C@H](N)c2ccc(N(C)[C@@H]3CCN(Cc4ccccc4)C3)cc21	381865216	MTVVWVQNJMPJOJ-YLJYHZDGSA-N	350.466	2.374	10	10	FECE	
C[C@H](N[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)OC(C)(C)C)c1c(O)cccc1O	387779953	ZXIQIZNNRHWMGP-UIOLVJJGSA-N	364.442	2.429	10	10	FECE	
C[S@](=O)CC1CN(c2ccc(C=CC(=O)O)c(Br)c2)C1	2166650243	JSMJLGCFXPSPCS-FQEVSTJZSA-N	358.257	2.362	10	10	FECE	
CC[C@H](CNC(=O)CCOc1ccc(N)cc1)NC(=O)OC(C)(C)C	2044203770	COJJWSUEWOYVNW-CQSZACIVSA-N	351.447	2.457	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COC[C@@]1(C)C(=O)N1CCC(N=[N+]=[N-])CC1	2060634171	WNAJXYJQZUJSLX-BLLLJJGKSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1CC(OCC(=O)N2CCC(CN=[N+]=[N-])CC2)C1	2060612323	FGUBVJAPPIDJAG-UHFFFAOYSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(C)C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2060634433	ZQDBOQSFLFSHOE-HWWQOWPSSA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])O1	2060633534	OTHLUGVSIDBBAL-RWMBFGLXSA-N	353.423	2.360	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C	2073136644	WQPLXAVXGYYIPQ-GXTWGEPZSA-N	352.431	2.187	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1ccc(I)cn1	2087724846	LZBUTAIXXDHYLB-UHFFFAOYSA-N	370.146	2.279	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@]2(NC(=O)Nc3ccc(N)cc3)CO[C@H]1C2	2266550025	HTTJUNBVYCNWES-DEYYWGMASA-N	362.430	2.215	10	10	FECE	
CN1CCc2cc(N3C[C@@H]4CN(C(=O)OC(C)(C)C)[C@H](CO)[C@H]4C3)ccc21	2235549148	IQBWZQBLYXYKSO-HHXXYDBFSA-N	373.497	2.343	10	10	FECE	
CN(C)c1ccc(OC[C@@]2(O)COCCN(C(=O)OC(C)(C)C)C2)cc1	2229382806	FYBXUDKDUZKBAR-IBGZPJMESA-N	366.458	2.130	10	10	FECE	
COC(=O)[C@H](C)N1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S	2297465446	GEDDPWJDANKOLE-QMMMGPOBSA-N	352.393	2.358	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)NCC(=O)Nc1ccc(F)c(F)c1F	2307981991	IRXLOFILEBDTMF-UHFFFAOYSA-N	366.295	2.283	10	10	FECE	
COc1cc(/C=C2\C(=O)NN(c3cccc(F)c3)C2=O)ccc1OC(C)=O	111849359	ZTUNISNPRVHHQC-OVCLIPMQSA-N	370.336	2.221	10	10	FECE	
Cn1nccc1CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	277560023	INTXFLDXMWOJAY-ZDUSSCGKSA-N	364.396	2.349	10	10	FECE	
CCOc1cnc(C(=O)NCc2cc(Br)ccc2O)cn1	804735645	CFBTXBYPIDWCDT-UHFFFAOYSA-N	352.188	2.273	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCC[C@H](CO)C1	298366955	UHKJOKFYXPGWLC-HOTGVXAUSA-N	365.449	2.013	10	10	FECE	
C[C@@H](Cn1cc(Br)ccc1=O)NCCc1ccc(N)cc1	817956779	CRRBAAZTVIXHHC-LBPRGKRZSA-N	350.260	2.414	10	10	FECE	
COc1ccc(O)c([C@H](C)NC[C@H](O)CN(C)C(=O)OC(C)(C)C)c1	822818089	JOKWQXPHKOHXIK-STQMWFEESA-N	354.447	2.279	10	10	FECE	
COC(=O)C[C@H]1CN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)CCO1	829720156	RVFTUWVYBPFUOG-IBGZPJMESA-N	370.449	2.427	10	10	FECE	
COc1cc(Br)cc([C@H](C)NC[C@@H](CO)[C@H]2CCOC2)c1O	848549797	UNTMFTRLSUZTOS-SRVKXCTJSA-N	374.275	2.459	10	10	FECE	
CCOC(=O)c1cc(NS(=O)(=O)c2cnccc2OCC)ccc1O	840913701	HXVBWOUCNTVHPB-UHFFFAOYSA-N	366.395	2.163	10	10	FECE	
CN1CCN(Cc2ccc(C(=O)NCc3c(O)cccc3F)cc2)CC1	928705809	NIJSMGWGDVABKU-UHFFFAOYSA-N	357.429	2.209	10	10	FECE	
CCCN(CCC)c1ccc(CN[C@@H]2CCN(S(C)(=O)=O)C2)cc1	846037432	OUTRVXJTUNZBNE-QGZVFWFLSA-N	353.532	2.437	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)c3cncc(Cl)c3)C2)cc1	849416636	UKVXIJCJPIXMTM-CYBMUJFWSA-N	367.858	2.301	10	10	FECE	
Cc1cc(C(=O)CN2CCN[C@@H](C)C2)c(C)n1-c1ccc2c(c1)OCO2	842473597	NVKGQQPHURFIPR-ZDUSSCGKSA-N	355.438	2.299	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccnc(-n4ccnc4)c3)C2)cc1	855229055	HEAAYJTVPUYRFL-MRXNPFEDSA-N	363.421	2.285	10	10	FECE	
Cc1cn2c(n1)C[C@@H](C(=O)N[C@H](C)c1ccc(N3CCOCC3)cc1)CC2	858786041	MJJBECGPTXGLJT-AEFFLSMTSA-N	368.481	2.468	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)c2cnc3c(c2)NC(=O)CN3C)cc1	858604210	DHDACIJJNLWDSR-UHFFFAOYSA-N	367.453	2.246	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2cc(=O)n(C)cc2Br)cc1	929402181	BJROJHOIKBLQHL-UHFFFAOYSA-N	364.243	2.144	10	10	FECE	
COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1	751319080	SBXNOEKIEVVDAN-NSHDSACASA-N	365.407	2.227	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc2c(c1)B(O)OC2	863869346	KRYMCDFDCHNTDJ-UHFFFAOYSA-N	364.254	2.167	10	10	FECE	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)N1CC[C@H](O)[C@@H](F)C1	931783823	PCMVZZZRVGDUAX-JSGCOSHPSA-N	355.373	2.333	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)c2ccc3c(c2)COB3O)cc1	864636740	URHQTHRVQFYWPV-UHFFFAOYSA-N	352.243	2.023	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cc(Br)no3)C2)cc1	866017977	DAMIQTKXKRUFCU-JTQLQIEISA-N	366.215	2.454	10	10	FECE	
COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1	775285794	CFRCUNYFCBOMFY-UHFFFAOYSA-N	370.314	2.027	10	10	FECE	
COc1ccc(CNC(=O)c2nnn(-c3ccc(F)c(F)c3)c2C)c(O)c1	1139032203	JPRORKBHQTUOFR-UHFFFAOYSA-N	374.347	2.498	10	10	FECE	
O=C(c1c(F)ccc(O)c1O)N1CCN(c2ncnc3sccc23)CC1	1160521862	JMSOBLMQDINWEN-UHFFFAOYSA-N	374.397	2.204	10	10	FECE	
CCCCN1C(=O)c2ccc(C(=O)NCc3cc(O)ccc3O)cc2C1=O	1176748540	WAMDYCLQENEYTM-UHFFFAOYSA-N	368.389	2.424	10	10	FECE	
CC[C@@H]1[C@@H](C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)CCN1C	1295590713	OYXBASNNNVLJOZ-LSDHHAIUSA-N	368.861	2.278	10	10	FECE	
Cc1nn(-c2ccccn2)c(C)c1CC(=O)NCc1ccc(O)cc1O	1626837686	DCSWFLWTSRKNDA-UHFFFAOYSA-N	352.394	2.154	10	10	FECE	
CCN(CC)c1ccc(Cn2c(C)nnc2N2CCO[C@@H](COC)C2)cc1	1710025179	QWUKGOWWJHZUMY-LJQANCHMSA-N	373.501	2.333	10	10	FECE	
CC1(C)OC[C@H](NCc2cc(Cl)cc(Br)c2O)[C@@H]1O	1910985252	JPRPVONNBZWNOR-JQWIXIFHSA-N	350.640	2.436	10	10	FECE	
COc1cccc(CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)c1O	1630366819	XDCONNSBXTYMQS-UHFFFAOYSA-N	374.349	2.400	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H](CC(=O)NCC2(CN=[N+]=[N-])CC2)C1	2135931678	LTRWZGMXCXTDJA-CYBMUJFWSA-N	367.450	2.467	10	10	FECE	
C[C@@H]1C[C@@]1(C)NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136257506	ZUCYRYKZQRTNKQ-RGIROJJOSA-N	364.442	2.448	10	10	FECE	
COc1cc(Cl)cc(CNC[C@@H](O)CNC(=O)OC(C)(C)C)c1O	2011422293	IBEMJFZXTFQWLT-GFCCVEGCSA-N	360.838	2.029	10	10	FECE	
COC[C@H](O)CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21	363490542	RLDMONWBOPPCIJ-MRXNPFEDSA-N	350.459	2.471	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN(c1cc3c(cc1N)OCC(=O)N3)C2	2163117236	YSAFNPGUSONECM-RYUDHWBXSA-N	374.441	2.045	10	10	FECE	
C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cccc(O)c1O	790942559	IVPPHUOZOKUTEB-WCQYABFASA-N	350.415	2.473	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCO[C@](C)(C(=O)NCc2ccccc2O)C1	1294925866	SWTMLSMIJBRBCW-LIRRHRJNSA-N	364.442	2.471	10	10	FECE	
COc1ccc(N2C[C@@H](OC)C[C@H]2CNC(=O)OC(C)(C)C)c(N)c1	2044767994	BFJMDUURFUNZSZ-JSGCOSHPSA-N	351.447	2.396	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])O1	2060633536	OTHLUGVSIDBBAL-XQQFMLRXSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC[C@@H](N=[N+]=[N-])C2)COCC1(C)C	2060617629	PESFUNWTXMLGMW-NEPJUHHUSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)Nc1[nH]nnc1C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2060633189	KUIHFMFWSJRJMB-VIFPVBQESA-N	350.383	2.457	10	10	FECE	
Nc1ccc(CCC(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)cc1	2106232973	VWWHXJWQQSDWKI-AWEZNQCLSA-N	357.376	2.261	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])C1	2218735028	KYDHVFKUYDNTHH-MQIPJXDCSA-N	353.423	2.096	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCCC[C@]2(C(=O)N2CC[C@H](N=[N+]=[N-])C2)C1	2228748057	UNCNNLCTZNQNDU-DCGLDWPTSA-N	365.434	2.314	10	10	FECE	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(O)cc1O	2297455889	RFHBXOGHTUUZGW-UHFFFAOYSA-N	358.737	2.418	10	10	FECE	
COC(=O)C=Cc1ccc(N2CCC[C@H](Cn3cncn3)C2)c([N+](=O)[O-])c1	2297506516	UVCZEUDLUGCMMK-HNNXBMFYSA-N	371.397	2.289	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)NC[C@@H](O)c1ccsc1	2299920308	ASNWPGHWHNUCII-GOSISDBHSA-N	358.463	2.448	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCc1ccc2c(c1)CNC2	188706802	RQEGZBUYBMCZBB-XBXARRHUSA-N	363.461	2.456	10	10	FECE	
COc1ccc(N(Cc2ccco2)C[C@@H](O)CN2CCOCC2)cc1F	125444606	QZKKLBZVFBZLTJ-INIZCTEOSA-N	364.417	2.127	10	10	FECE	
C[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C[C@@H](C)O1	80048947	DTSQRIZBTIDGPH-ZIAGYGMSSA-N	365.449	2.106	10	10	FECE	
Cn1cc([C@H]2CCN(C(=O)/C=C\c3ccc(N4CCOCC4)cc3)C2)cn1	255019990	KCAKXXUAALMQOU-GINYUPMKSA-N	366.465	2.286	10	10	FECE	
COC[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1	817706776	QUNANHSEUVWYGN-GOSISDBHSA-N	373.497	2.178	10	10	FECE	
Cc1cc(O)nc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	815730645	MWYGFQFZEOSCIM-UHFFFAOYSA-N	359.401	2.126	10	10	FECE	
CO[C@@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCCC1	822938831	ZCJOAQXXSDJUIY-PKOBYXMFSA-N	373.497	2.210	10	10	FECE	
Cn1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(-c2ccco2)n1	823291365	GCJFHBLAYNEGAB-UHFFFAOYSA-N	366.421	2.447	10	10	FECE	
CCC(C)(C)C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	900899666	HUHFKYJPLUJGKH-UHFFFAOYSA-N	350.434	2.408	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)CC1(O)CCOCC1	906993567	IYFSJTJEQCMGOK-UHFFFAOYSA-N	372.259	2.435	10	10	FECE	
C[C@H]1[C@@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)C[C@H]2CC[C@H]1N2	925690697	GEJXNJJLXMAIOH-FOZNTRSISA-N	351.441	2.420	10	10	FECE	
CS(=O)(=O)C1CCC(CNC(=O)NCc2cc(Cl)ccc2O)CC1	924283657	HAFXCOZPCNITAU-UHFFFAOYSA-N	374.890	2.448	10	10	FECE	
CCN(CCS(C)(=O)=O)Cc1c(O)c(C(=O)OC)cc2ccccc12	753797874	YLYYPIFLRTUZAN-UHFFFAOYSA-N	365.451	2.199	10	10	FECE	
Cc1cnc(COC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)cn1	750103760	YTAIFBDABWYBKP-UHFFFAOYSA-N	373.368	2.500	10	10	FECE	
COC(=O)c1ccccc1CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	855234117	SLSUOHQGIUEZLQ-MRXNPFEDSA-N	368.433	2.419	10	10	FECE	
COc1ccc(CNC(=O)N[C@@H](CCN(C)C)c2cccnc2)c(O)c1	925910756	ASAZVAYFUJCNJD-KRWDZBQOSA-N	358.442	2.288	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc4nnc(C)n4c3)C2)cc1	855233712	LFGBHXXWFLAPPW-HNNXBMFYSA-N	351.410	2.055	10	10	FECE	
O=C1CCC2=C(CCN(C(=O)NCCCSc3nccs3)C2)N1	853855852	IJULWYZWWYQMSN-UHFFFAOYSA-N	352.485	2.205	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H](C)[C@H]3CCO)C2)cc1	854297794	XBZMVCWCFVTRRS-JTDSTZFVSA-N	361.486	2.466	10	10	FECE	
CNCCOCCN(C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	863646753	DQXMTPLXEAZTOU-UHFFFAOYSA-N	350.463	2.253	10	10	FECE	
CC(C)C[C@H](NCc1c(O)ccc(Cl)c1F)C(=O)NCCN(C)C	790980780	PYJFLVDVJPGAIL-AWEZNQCLSA-N	359.873	2.367	10	10	FECE	
Cc1cncc([C@H]2CCCN2C(=O)C(=O)N2Cc3cccc(O)c3C2)c1	1329488767	NKCRJXSGLWYHTG-QGZVFWFLSA-N	351.406	2.302	10	10	FECE	
CN(Cc1ccccc1O)C(=O)c1cn(C)[nH]c1=NC(=O)OC(C)(C)C	1964875116	ZNPFTKXQBYTGCQ-UHFFFAOYSA-N	360.414	2.167	10	10	FECE	
CC(C)(C)OC(=O)NCC1(NCc2ccc(O)c(O)c2)CCOCC1	705683985	HYOSXZXNXSFWHA-UHFFFAOYSA-N	352.431	2.261	10	10	FECE	
C[C@@H](NC(=O)C(=O)NC[C@@H]1CCC2(CCC2)O1)c1ccc(N(C)C)cc1	1334514665	MWZQZPPDTRGXBB-PBHICJAKSA-N	359.470	2.148	10	10	FECE	
C[C@@H](NC(=O)C(=O)N1C[C@@H]2CSC[C@]2(C)C1)c1ccc(N(C)C)cc1	1332947592	BIVBNLJCWSRWHO-MUKKUYKPSA-N	361.511	2.141	10	10	FECE	
O=C(c1cc(O)cs1)N1C[C@@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1	1351115232	BJIAHRKNODFZQL-UFBFGSQYSA-N	369.386	2.035	10	10	FECE	
CO[C@H]1C[C@@H](CNC(=O)Nc2ccc(N)cc2)N(C(=O)OC(C)(C)C)C1	2115816020	ANZBQJHMRCJOAT-GJZGRUSLSA-N	364.446	2.415	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1nc(Br)c2ccccn12	1451767343	YUGFIYYGCDMSGR-UHFFFAOYSA-N	362.183	2.438	10	10	FECE	
CCCN(C(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccc(CC)cc1	1526398672	OEVISRGBHDDLLB-UHFFFAOYSA-N	373.478	2.490	10	10	FECE	
CC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)NCc1cccs1	1627482752	CLOYPQRHILMAGE-QPBFKRLHSA-N	360.435	2.384	10	10	FECE	
C[C@@H](NC(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1nnc(O)n1C	1565377835	ZMLKFAQQZXGXGG-CYBMUJFWSA-N	358.446	2.024	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2124516379	FASXTAZSYKAVHR-KGLIPLIRSA-N	367.450	2.417	10	10	FECE	
CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NCc1cc(O)ccc1O	1593873658	VLCREMJBWWSGLO-GFCCVEGCSA-N	354.428	2.024	10	10	FECE	
CCc1nnc(N2CCS(=O)CC2)n1CCCSc1nccs1	1764963595	WUHHSALCNJUCGT-UHFFFAOYSA-N	371.557	2.048	10	10	FECE	
CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(O)c3)C2=O)cc1	6508409	CBQUANJKIXCOFE-WJDWOHSUSA-N	352.346	2.457	10	10	FECE	
C[C@H](COCCNC(=O)OC(C)(C)C)NCCc1ccc(O)c(O)c1	2031079861	ULQRWHDMQNAGLC-CYBMUJFWSA-N	354.447	2.160	10	10	FECE	
C[C@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)CCN1C(=O)OC(C)(C)C	2044653208	RRPDOTNXFJHOKP-ZDUSSCGKSA-N	369.487	2.040	10	10	FECE	
CC[C@@H](CN(C)C(=O)COc1ccc(N)cc1)NC(=O)OC(C)(C)C	2053098675	HHFKWYVXXYIZTI-AWEZNQCLSA-N	351.447	2.409	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)NCCCCN=[N+]=[N-])C[C@@H]2OCC[C@@H]21	2060622353	YXPKYONZKCACNP-AVGNSLFASA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2060613282	PNTIJCVIIDDPHJ-RWMBFGLXSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C1	2063391209	MWQHWNZNAIMWQT-WBMJQRKESA-N	353.423	2.050	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C2(CC2)CO1	2064049559	FAJRDNOZCVBZMG-LBPRGKRZSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(CNCc3ccc(O)cc3O)(CO1)C2	2103308386	YIQHSVVFMROZPC-UHFFFAOYSA-N	364.442	2.261	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])CC1	2225794979	JXTIENPLJPKQOU-QWHCGFSZSA-N	367.450	2.486	10	10	FECE	
CN[C@@H](c1ccc2c(c1)CCN2C)[C@](O)(CF)CNC(=O)OC(C)(C)C	2265168318	OCIRWJRIHQXVEU-LPHOPBHVSA-N	367.465	2.165	10	10	FECE	
CNC[C@]1(O)CCCN(Cc2cc(Cl)cc(Br)c2O)C1	2286318047	FKVFPWYDTBHWPS-CQSZACIVSA-N	363.683	2.354	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1CN(C(=O)c1ccc(O)c(O)c1)C2	2333674928	XFWVFFJLKFLNEC-FPMFFAJLSA-N	362.426	2.473	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCCN(Cc3cnn(C)c3)CC2)c1O	175650430	HPSKIPYPXSWUIN-UHFFFAOYSA-N	360.433	2.175	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1	132561053	RMVVDMFJFPVSNK-ROUUACIJSA-N	373.453	2.380	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)N3CCc4cc(O)c(O)cc4C3)C[C@@H]12	2366905558	DDTCRNGSIDJWEM-LRDNONRASA-N	374.437	2.286	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N1CCc2cc(O)c(O)cc2C1	2366907552	HDSPREJMEHLLLB-GRDNDAEWSA-N	374.437	2.238	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCc3ccncc3)CC2)cc1OC	244276144	WRHRBKOOXKNWOJ-UHFFFAOYSA-N	356.426	2.131	10	10	FECE	
O=C1[C@H]2COC[C@H]1CC(C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C2	369604850	AFURTEWMOTZGJL-KURKYZTESA-N	373.449	2.142	10	10	FECE	
Cc1ccc(CN2CC[C@H]3CS(=O)(=O)C[C@@H]32)c(O)c1Br	2380714389	VKFTVSILIBTXEO-RYUDHWBXSA-N	360.273	2.082	10	10	FECE	
COC[C@@H]1CCN1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	293260640	XCLYLUYDRMUZBI-DZKIICNBSA-N	365.449	2.370	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1	2163041166	DQSHFHHVLCDUPN-ILXRZTDVSA-N	374.485	2.395	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]12[C@@H]3[C@H]4C(=O)[C@H]1[C@@H]1[C@@H]4C[C@@H]3[C@H]12	800467065	KOSFMJWKXFMSLK-KGPBHAMUSA-N	350.462	2.428	10	10	FECE	
COC(=O)CCCCNC(=O)NCc1cc(Br)ccc1O	805001620	LDAWNNLOKVXDAN-UHFFFAOYSA-N	359.220	2.297	10	10	FECE	
O=C([C@H]1CCCN(Cc2cc(Cl)c(F)cc2O)C1)N1CCOCC1	816483273	MLQPGMLXVIOPDF-LBPRGKRZSA-N	356.825	2.256	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(CN(C)C)nc1	819698984	VLONQXVECHVYHM-UHFFFAOYSA-N	371.437	2.054	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(S(=O)(=O)CC)CC1	823224729	XGVOKKRAJMVCOA-UHFFFAOYSA-N	367.515	2.251	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3nnc(-c4cscn4)o3)C2)cc1	902696403	JEUWQHVXEFTVER-NSHDSACASA-N	371.422	2.210	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NCCc2cnccc2C)cc1	827164688	KPZAMAGFKKUVOK-UHFFFAOYSA-N	368.481	2.211	10	10	FECE	
COCCCN(C/C=C\c1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1	835024644	ACJMIOFTBNNWGR-GJEJWFRCSA-N	366.527	2.291	10	10	FECE	
Cn1c(C(=O)NCc2cc(Cl)cc(Cl)c2O)c2n(c1=O)CCCC2	832060085	YFYRIBXGGUBERC-UHFFFAOYSA-N	370.236	2.466	10	10	FECE	
C[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CCS1	929524984	YVZSXVMEBOHZRK-GOEBONIOSA-N	361.511	2.303	10	10	FECE	
Cc1ccc([C@@H]2CCN(C(=O)C(=O)NCCc3ccc(N)cc3)C2)cc1	842238376	PEGKDXIQFZZIKG-GOSISDBHSA-N	351.450	2.252	10	10	FECE	
COC(=O)C[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1	852138895	VOJWULWSMLBDSV-QGZVFWFLSA-N	357.454	2.451	10	10	FECE	
O=S1(=O)CCN(c2ccc(CN[C@H]3CCCSCC3)cc2)CC1	850435996	QONPNILFBRFXSG-INIZCTEOSA-N	354.541	2.297	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)Cc3ccnc(OC)c3)C2)cc1	854980770	GOLYZFYTHJNNPF-INIZCTEOSA-N	355.438	2.284	10	10	FECE	
O=[N+]([O-])c1ccc(O)c(CNCc2ccc(CN3CC[C@H](O)C3)cc2)c1	850357536	MURWJJCOIAQANM-SFHVURJKSA-N	357.410	2.157	10	10	FECE	
Cc1cc(CNC(=S)NCCN2CCOCC2)c(C)n1-c1ccccc1	863232674	DITMEVJIFMGRCM-UHFFFAOYSA-N	372.538	2.390	10	10	FECE	
COc1ccc(N2CC[C@@H](CNS(=O)(=O)CC3(OC)CCC3)C2)cc1	867429102	VNLJDYDVFFHZBS-HNNXBMFYSA-N	368.499	2.010	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3cc(C)cnc3F)CC2)cc1	865034714	YTYBHXVKLPSJHG-UHFFFAOYSA-N	372.444	2.090	10	10	FECE	
O=C(O)c1cnn2c(O)cc(CN3C[C@@H]4[C@@H](C[C@H]4c4ccccc4)C3)nc12	863476202	XAZSIMQPQDAEBH-JLJPHGGASA-N	364.405	2.369	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@@H]2CSC[C@@H]2C1	868130666	QJOLBZMOWGAZEE-SJORKVTESA-N	361.511	2.418	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)NCC(C)(C)CC(F)(F)F)cc1	1118581307	JRJJOFPYWPDGFX-UHFFFAOYSA-N	359.392	2.464	10	10	FECE	
CNC(=O)C1CCC(NCc2ccc(OC)c(Cn3cccn3)c2)CC1	873025250	APJBKAWHXXDOFF-UHFFFAOYSA-N	356.470	2.334	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCS(=O)(=O)[C@@H](C)[C@H]2C)c1	781914074	YAHCRAGRDCGTEG-MNOVXSKESA-N	362.289	2.471	10	10	FECE	
Cc1cc(COC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)ncn1	795233311	MHCZCOBKBMOQPY-UHFFFAOYSA-N	373.368	2.500	10	10	FECE	
CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)nn1	793032812	JLGJJQLRXSXZDP-CYBMUJFWSA-N	371.441	2.146	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCCc3ccccc3C2)c1	1304318534	RLRPMIAQOSBIPE-OAHLLOKOSA-N	374.462	2.441	10	10	FECE	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCC[C@H](F)C1	1328356084	DOPUNMZUNCBVJR-HOTGVXAUSA-N	368.474	2.066	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N[C@H]1C[C@]2(CCOC2)Oc2ccccc21	1181749019	XTGKTSLMNGIKFR-YWZLYKJASA-N	355.390	2.439	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)NC1C[C@@H]2CC[C@H](C1)S2	1354473184	WGIRKFVLQKRQTK-YOGCLGLASA-N	371.553	2.284	10	10	FECE	
COc1nccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n1	1516809129	ADQQEVOIHAFTEB-STQMWFEESA-N	374.416	2.168	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@H]2CCCO2)n1Cc1ccn(C)n1	1298364435	ATEOAYSPLBTQGA-QGZVFWFLSA-N	368.441	2.253	10	10	FECE	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1n[nH]cc1F	1545632435	LUBNFMBKVFYOKV-LBPRGKRZSA-N	352.797	2.302	10	10	FECE	
CCCCN1C(=O)c2ccc(C(=O)NCc3cccc(O)c3O)cc2C1=O	1558160574	YNUBTEAIDGXLLC-UHFFFAOYSA-N	368.389	2.424	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)[C@H]2CC[C@H]3CCCCN32)N(C)C)cc1	1637004929	WEJPPPPAJGWRTG-AQNXPRMDSA-N	358.530	2.488	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCCC[C@H]2C(=O)NCC(F)F)cc1	1569197967	LERMOAGBFTURIQ-LBPRGKRZSA-N	367.356	2.225	10	10	FECE	
Cn1c(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)cnc1CNC(=O)OC(C)(C)C	2124539289	TYACZTGMZGOIHY-LLVKDONJSA-N	363.422	2.360	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1cccn(Cc2ccccc2)c1=O	1647269688	JJMRIAMENUNWIP-UHFFFAOYSA-N	350.374	2.238	10	10	FECE	
CCON(C)C(=O)CNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C	1683617153	OPCJCBZEGYDWJA-UHFFFAOYSA-N	372.469	2.346	10	10	FECE	
CC[C@@H](CS(C)(=O)=O)NCc1c(Br)ccc(OC)c1O	1966014506	XGOQWISMSNAZDI-VIFPVBQESA-N	366.277	2.076	10	10	FECE	
Nc1ccc(CCNC(=O)CCn2c(S)nc3ccccc3c2=O)cc1	152511684	XAYWLAJQCCFTHW-UHFFFAOYSA-N	368.462	2.016	10	10	FECE	
COc1ccc(F)c(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)c1	155531640	STMRLPLPRVWDLV-UHFFFAOYSA-N	359.401	2.464	10	10	FECE	
O=C(CCn1c2c(c3ccccc31)CCCC2)N1CCN=C1C[N+](=O)[O-]	1851774337	KHQHLJZTHNPVRE-UHFFFAOYSA-N	354.410	2.428	10	10	FECE	
COc1ccc(OC)c(/C=C2/SC(=S)N(CCNC(C)=O)C2=O)c1	1858586875	JRSHBJVFDSLQOW-NTEUORMPSA-N	366.464	2.041	10	10	FECE	
C[C@@H](O)[C@@H](C(=O)O)N1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S	1858596011	MBLOVSPLEFDDTJ-XGQUYORUSA-N	362.432	2.203	10	10	FECE	
O=C(NCc1ccccc1O)c1cc(I)sn1	2007646149	YXUQZBBEKDOWQS-UHFFFAOYSA-N	360.176	2.383	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1ccc(O)cc1O	2030121584	BNTVFIWEONOVAT-HOCLYGCPSA-N	352.431	2.212	10	10	FECE	
CC(C)(C)OC(=O)N1CC(F)(F)C[C@@]1(C)C(=O)C(=O)C[C@H]1C[C@H](N)C1	2049781469	VHIXOUIUKISSTC-MMPTUQATSA-N	360.401	2.287	10	10	FECE	
C[C@@H]1CN([C@@H](CN)c2ccc(N(C)C)cc2)CC[C@@H]1NC(=O)C(F)(F)F	2194810903	QWNUZAYNKSGERJ-KCXAZCMYSA-N	372.435	2.141	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](C)(CNC(=O)c2cccc(O)c2O)C1	2054415477	CYQVWJFRAJATFN-GOSISDBHSA-N	350.415	2.475	10	10	FECE	
CO[C@H]1C[C@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060612111	CJNUYXQGQQIJLF-FRRDWIJNSA-N	353.423	2.170	10	10	FECE	
C[C@H](NC(=O)CC[C@@H](O)CNC(=O)OC(C)(C)C)c1ccccc1O	2072479539	KFNGUCSTGBVWHH-QWHCGFSZSA-N	352.431	2.235	10	10	FECE	
COC(=O)[C@@H](CNC(=O)OC(C)(C)C)N(C)[C@@H](C)c1ccccc1O	2072449803	CUWXGCIMSMRBHR-GXTWGEPZSA-N	352.431	2.451	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])CC1	2225794980	JXTIENPLJPKQOU-STQMWFEESA-N	367.450	2.486	10	10	FECE	
CN(C)c1ccc([C@H](CN)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)cc1	2286109219	IMYFUKXEWSLEPC-HOCLYGCPSA-N	372.435	2.285	10	10	FECE	
CN(C)C(=O)c1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1	102854807	OTFIVFLZMYGYHP-UHFFFAOYSA-N	353.422	2.477	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCCNC(=O)c1ccccc1	45638046	HUTWVUBBEPQKOT-UHFFFAOYSA-N	354.454	2.324	10	10	FECE	
CCOc1ccc(/C=C2/SC(=S)N(N3C(=O)[C@H]4C[C@H]4C3=O)C2=O)cc1	83303026	IHVWRDOPZQJCKF-MZJYZEPISA-N	374.443	2.206	10	10	FECE	
CC(C)N(C)CC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92126027	IDJLVIVCEKXZPW-UHFFFAOYSA-N	358.530	2.175	10	10	FECE	
COc1ccc(N2CCN(CCN[C@@H]3C[C@H](C)N(C)C[C@H]3C)CC2)cc1	268789597	BLDSBADOHBEUDO-LVCYWYKZSA-N	360.546	2.136	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3CCO[C@@]4(CCCOC4)C3)ccc21	287420016	FYZKFHHODFAVSA-FQEVSTJZSA-N	359.470	2.160	10	10	FECE	
CC1(C)OCC[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	297943176	WJZIZYGWMRHUTI-QGZVFWFLSA-N	365.449	2.154	10	10	FECE	
COc1nc(Cl)nc(=NCc2ccc(C)c(Br)c2O)[nH]1	2381131353	MJTHXMKEXWGDBI-UHFFFAOYSA-N	359.611	2.344	10	10	FECE	
CO[C@@H]1COCC[C@H]1CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	822786009	KHCGXBFNRANNTP-HHXXYDBFSA-N	362.470	2.142	10	10	FECE	
COc1ccc(N2CCCN(C(=O)c3cc4c([nH]3)CCOC4)CC2)cc1	837357303	CGMUJOHKQZSHDI-UHFFFAOYSA-N	355.438	2.449	10	10	FECE	
CCn1nc(C(=O)NCc2cccc(OC)c2O)c(=O)c2ccccc21	735686198	MMAOXHQLCGJNLS-UHFFFAOYSA-N	353.378	2.061	10	10	FECE	
COc1cc(Br)cc([C@@H](C)N[C@H](CO)c2cnn(C)c2)c1O	848536717	UMDFBHXFKACTCS-NOZJJQNGSA-N	370.247	2.281	10	10	FECE	
COCC1(CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)CC1	848630597	XKIZTCXZOIJWLU-UHFFFAOYSA-N	372.421	2.057	10	10	FECE	
CC1(C)COc2c(S(=O)(=O)NCc3cc(Cl)ccc3O)cnn2C1	916704036	BNCJEKMNXLIBHM-UHFFFAOYSA-N	371.846	2.139	10	10	FECE	
O=C(O)/C=C/c1ccc(N2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c([N+](=O)[O-])c1	844215068	CRNCRVJYDIGSEO-YZGZKEJJSA-N	362.382	2.059	10	10	FECE	
C[C@@H]1CN(c2ccc(C(=O)NCc3c(O)cccc3F)cn2)C[C@@H](C)O1	928712360	SDFZYUQTIKICPO-CHWSQXEVSA-N	359.401	2.470	10	10	FECE	
CCO[C@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)CN(C)C	926966626	XOWAREJOVVUUPC-NVXWUHKLSA-N	353.482	2.280	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)[C@@]23C[C@H]4C[C@H](C(=O)N2)[C@H]3C4)cc1	844304598	LLPSAKFJPYCCDD-JWVYWZTKSA-N	355.482	2.406	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC(c2cnc[nH]2)CC1	751788847	WBVTZACLTMTJBV-UHFFFAOYSA-N	369.469	2.336	10	10	FECE	
Cc1cc(C(=O)N2CCC3=C(CCC(=O)N3)C2)c(C)n1-c1ccccn1	855157423	VSMKPXCODJILET-UHFFFAOYSA-N	350.422	2.499	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N[C@H]3C[C@@H](C)n4ncnc43)CC2)cc1	852475166	GCBUCOSTUNSWRH-DYVFJYSZSA-N	370.457	2.261	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCn4cc(C)nc4C3)C2)cc1	854300410	ZFGOASBSVOGTPD-HNNXBMFYSA-N	355.442	2.004	10	10	FECE	
CCN1CCN(c2ccc(CN[C@H](C)[C@H]3C[C@@H]3C(=O)OC)cc2F)CC1	850127477	WTOYEJXTKBOIOM-OIISXLGYSA-N	363.477	2.255	10	10	FECE	
C[C@@H](NC[C@H]1COCCN1C)c1ccc(N2CCOCC2)cc1Cl	858520096	CZHBFHFOPMBHAH-ZBFHGGJFSA-N	353.894	2.158	10	10	FECE	
COc1ccccc1[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O	765421227	SNLZWXVERMHLRB-NSHDSACASA-N	364.423	2.263	10	10	FECE	
C[C@H](NC(=O)NCc1cccnc1N1CCOCC1)c1ccccc1O	868029213	GZUAZGOBUYLFJZ-AWEZNQCLSA-N	356.426	2.184	10	10	FECE	
COC[C@@](C)(O)CCNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1	861857763	FAZVOYPJFAPSMS-FQEVSTJZSA-N	358.438	2.424	10	10	FECE	
CCOC(=O)C[C@H](O)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C	863162118	UFATUJODWBVXNL-SFHVURJKSA-N	358.438	2.333	10	10	FECE	
COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1cc(Cl)cc(C)c1O	775739140	LUKDRWNCBJRVSK-TUVASFSCSA-N	367.829	2.279	10	10	FECE	
Cc1cc(CNC[C@H](O)CC2(O)CCOCC2)c(C)n1-c1ccccc1	872215548	BIOFZQZMZYOVTJ-HXUWFJFHSA-N	358.482	2.476	10	10	FECE	
CCc1nc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)no1	775390139	FAPZDLFNRJGJOK-CYBMUJFWSA-N	364.833	2.385	10	10	FECE	
O=C(O)c1ccc(NS(=O)(=O)c2cccc3nonc23)c(Cl)c1	776536584	JWSNUNAAAXLMKP-UHFFFAOYSA-N	353.743	2.375	10	10	FECE	
CN(c1ccc(CNC(=O)[C@@H](O)Cc2cnn(C)c2)cc1)C1CCCCC1	786839996	CBROLKVFZPWUBS-FQEVSTJZSA-N	370.497	2.409	10	10	FECE	
COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)c(C)c1	797819584	NKSAHIDMDCWBAJ-UHFFFAOYSA-N	351.380	2.297	10	10	FECE	
C[C@H](C(=O)NCc1c(O)cccc1F)S(=O)(=O)c1ccc(F)cc1	1303879367	ZTJGPJMDTVPSLO-SNVBAGLBSA-N	355.362	2.149	10	10	FECE	
CN[C@@H](c1ccc2c(c1)CCN2C)[C@]1(O)CN(C(=O)OC(C)(C)C)[C@@H]1C	1887682684	BAYWSODIWYUXPS-VOWSPCBNSA-N	361.486	2.310	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](C2CN(C(=O)c3cccc(O)c3O)C2)C1	1965109293	LSLGJGKOWPTNKY-LBPRGKRZSA-N	362.426	2.427	10	10	FECE	
CN(C)c1ccc(CNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1	1540417759	ZYXICBRVHUAXKF-UHFFFAOYSA-N	371.397	2.099	10	10	FECE	
CCOC(=O)c1cnn2c(C(=O)NCc3cc(Cl)ccc3O)ccnc12	1557386654	KCNQNFPAOLNMOT-UHFFFAOYSA-N	374.784	2.195	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CCC[C@@H](N=[N+]=[N-])C3)[C@@H]2C1	2124534640	IXMUZEPKDDXUHU-RFGFWPKPSA-N	365.434	2.170	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\c1ccc2c(c1)NC(=O)CO2	1638348264	QBGRZXZMYCOFNI-KMSCOEIWSA-N	368.389	2.189	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)[C@@]3(OC)CCSC3)CC2)cc1	1566562999	SDPSHMOVDARPNX-GOSISDBHSA-N	350.484	2.256	10	10	FECE	
CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@]1(O)CCN(C)C1	1752614931	AHYQJDJQDKSVQF-FOIQADDNSA-N	373.501	2.200	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@](F)(CNCc2ccc(O)cc2O)C1	2126039613	KJMANHQRWZAITQ-GOSISDBHSA-N	370.421	2.163	10	10	FECE	
CCC[C@@H](CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1)OCC	1674776916	AYWVYXYAEIOHLZ-IBGZPJMESA-N	362.518	2.443	10	10	FECE	
COc1ccc(NC(=O)CCN2C(=O)[C@H](C)SC2=S)c(OC)c1	11636007	YJNXAGPAQIISQE-VIFPVBQESA-N	354.453	2.281	10	10	FECE	
C[C@@H](O)c1ccc(N2CC[C@H]3CS(=O)(=O)C[C@H]32)c(Br)c1	2151274889	UZIVHEMSEDDNKV-OLUVUFQESA-N	360.273	2.126	10	10	FECE	
CN[C@H](C)c1ccc(N2CC(CS(C)(=O)=O)C2)c(Br)c1	2159436257	YDCHDQVEYLOFOH-SNVBAGLBSA-N	361.305	2.210	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](NC(=O)c2cccc(O)c2O)C1	2054418771	VTHYLOYOOUCGOA-RKQQLJTISA-N	354.378	2.223	10	10	FECE	
CCON(C(=O)c1cccc(O)c1O)C1CN(C(=O)OC(C)(C)C)C1	2054539407	ASWUMPDOPHOBAR-UHFFFAOYSA-N	352.387	2.111	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCO[C@@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2060622221	XJZBELWFZVBGDC-STQMWFEESA-N	353.423	2.218	10	10	FECE	
CN1CCc2cc([C@@H](O)CN3CC[C@H](NC(=O)OC(C)(C)C)C3)ccc21	2112978771	AHHTVQYYCHBMEK-WMZOPIPTSA-N	361.486	2.311	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])O1	2218742476	CTEHUBHYIQHUHT-QNWHQSFQSA-N	353.423	2.406	10	10	FECE	
CCOC(=O)CN1C(=O)C(=Cc2ccc(O)c(OC)c2)SC1=S	2293308683	WTWPZBSVPHVVBO-UHFFFAOYSA-N	353.421	2.165	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N[C@H]1CCN(c2ccccc2F)C1=O	2307987155	HUIYJCPZCONDJI-AWEZNQCLSA-N	356.353	2.172	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CCO[C@H]2C[C@@H]1C(=O)N1CC[C@H](N=[N+]=[N-])C1	2310283761	SEEQSDPFCASNBA-RVMXOQNASA-N	351.407	2.065	10	10	FECE	
COC[C@@]1(C(=O)NCC2(CN=[N+]=[N-])CC2)C=CCN1C(=O)OC(C)(C)C	2336338911	TVASMJCKYIPQFV-QGZVFWFLSA-N	365.434	2.385	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CCc3cc(O)c(O)cc3C2)C1	2341195107	DEOZWPLEBBZIFC-UHFFFAOYSA-N	362.426	2.240	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)N2CCc3cc(O)c(O)cc3C2)C1	2341198497	XWIIFGONFDPZTB-XBXGTLAGSA-N	362.426	2.286	10	10	FECE	
O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1cc(O)c(O)c(O)c1	1148589551	BLICYWUEHXQOJH-HNNXBMFYSA-N	356.422	2.445	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1	74614601	IAMFDWACFUKANL-KRWDZBQOSA-N	370.501	2.297	10	10	FECE	
COc1ccc(CN2CC[C@H]2CNC(=O)c2ccc(C)c(O)c2O)cc1	529833411	RMLRGCVZFXZNIA-HNNXBMFYSA-N	356.422	2.419	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)NCc2ccc(O)c(O)c2)C1	272265618	CIXUHCHHVJWLOH-SFHVURJKSA-N	350.415	2.361	10	10	FECE	
COC[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1	285722340	NKMNCGWTMCGJCV-QGZVFWFLSA-N	373.428	2.012	10	10	FECE	
O=C(CCCCN1C(=O)c2ccccc2C1=O)NCc1ccc(O)c(O)c1	802785175	XDZSGHXMWJOMBF-UHFFFAOYSA-N	368.389	2.181	10	10	FECE	
NC(=O)[C@H]1CCC[C@H](C(=O)NCc2cc(Br)ccc2O)C1	804735540	CVYOMJCBPGERMK-UWVGGRQHSA-N	355.232	2.063	10	10	FECE	
CC1(C)CCCN1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	728396277	CATKYYQBZWOUCN-INIZCTEOSA-N	358.486	2.472	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3CCOCC4(CC4)C3)C2)cc1	824685941	JKTVVLXSSWRSFH-INIZCTEOSA-N	359.470	2.344	10	10	FECE	
COc1ccc(N2CCN(C(=O)/C=C\c3cncc(O)c3)CC2)cc1F	588409520	KDZMPUMKIASWDL-DJWKRKHSSA-N	357.385	2.297	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)[C@@]2(C)CCCS2(=O)=O)cc1F	906626836	AZWHDVRSQVNXPL-QGZVFWFLSA-N	356.463	2.255	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2cnn(-c3ncccn3)c2)c1	746032871	HMPQPBDMVUJOGO-LLVKDONJSA-N	354.370	2.259	10	10	FECE	
COc1ccc(N2CC[C@H](N[C@@H]3CCCC[C@H]3S(C)(=O)=O)C2)cc1	850489466	UTSGJDGFYISUQZ-BMGDILEWSA-N	352.500	2.219	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3C[C@H]4COC[C@@]4(C)C3)C2)cc1	852387629	SVNWTWKJOKRZHZ-GQIGUUNPSA-N	359.470	2.199	10	10	FECE	
CN1CC(CN(C)C(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)C1	850595958	JLXMKZGMBYKYSX-UHFFFAOYSA-N	373.497	2.074	10	10	FECE	
C[C@H](NC(=O)N1CCC(N2CC[C@H](O)C2)CC1)c1ccc(N(C)C)cc1	854003201	GBONQFFEECRQBE-KXBFYZLASA-N	360.502	2.054	10	10	FECE	
CC[S@@](C)(=O)=NS(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1	866430793	ZWINTTWHFPJMLY-HSZRJFAPSA-N	373.544	2.471	10	10	FECE	
O=C(c1cc(O)cs1)N1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)C(F)(F)F)[C@H]2C1	863591825	KNPVEJBQJQFHSD-GMNPVEAJSA-N	374.384	2.325	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC[C@@H]1CN(Cc2ccncc2)CCO1	862535990	BWYFUAAZCNJHTE-OAQYLSRUSA-N	354.498	2.447	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CC[C@H](C)S(=O)(=O)CC2)c1	763626295	LFMAHTLWWVTDDI-NSHDSACASA-N	362.289	2.472	10	10	FECE	
O=C(NCCOCC1CCC1)NCc1ccc(N2CCOCC2)c(F)c1	765231860	YSQFPUVYIVCLCQ-UHFFFAOYSA-N	365.449	2.278	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCOC[C@@H]1C	1117464511	JEMQKASVLXTOTI-MAUKXSAKSA-N	361.486	2.031	10	10	FECE	
COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)NCc2ccc(N(C)C)cc2)C1	773561657	CAVAOQYSDJQKRX-GOEBONIOSA-N	362.474	2.419	10	10	FECE	
CCOC(=O)C[C@@H](O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	773884393	NFKDGELOHGIOGD-GOSISDBHSA-N	362.470	2.386	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cnn4c(OC)cccc34)C2)cc1	898581199	UZXDXAIRXUWSPZ-CQSZACIVSA-N	366.421	2.360	10	10	FECE	
Cc1c(CN(C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cnn1C	790499984	AFNSUEHEAPLVJI-OAHLLOKOSA-N	371.485	2.468	10	10	FECE	
CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NCc1c(O)ccc2ccccc12	1157041343	FBYNBOUKXHBUEE-INIZCTEOSA-N	364.467	2.126	10	10	FECE	
CNC(=O)C12CC(CN=[N+]=[N-])(C1)OC21CCN(C(=O)OC(C)(C)C)CC1	1887434986	ZGLOBDRYEBQSGF-UHFFFAOYSA-N	365.434	2.362	10	10	FECE	
CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1	1293692228	UWVNSBPIMRWJIJ-QWRGUYRKSA-N	369.464	2.398	10	10	FECE	
COC(=O)[C@H](NC(=O)c1cccc(O)c1O)c1ccc(OC)c(Cl)c1	1467228081	MJXITQXLLXESGI-CQSZACIVSA-N	365.769	2.404	10	10	FECE	
COc1ccc(N2CCCN(C(=O)Cc3ccc(O)c(O)c3)CC2)cc1	1464351697	SJWGVXUVXFUNHV-UHFFFAOYSA-N	356.422	2.388	10	10	FECE	
CNC(=O)c1nn[nH]c1NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl	1460787755	PZPSZMSMHXQATE-UHFFFAOYSA-N	372.816	2.478	10	10	FECE	
CCC[C@](C)(CO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1471543449	IVPRROXHRZAJQK-IEBWSBKVSA-N	350.507	2.206	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CC[C@@H]1CO	2122344323	GBHKHPBYSBRKAG-IUODEOHRSA-N	364.446	2.008	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1Cc1ccc(N(C)C)nc1	1612538513	ZRNGSYHQHBTHPO-UHFFFAOYSA-N	352.442	2.438	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2124509548	WRNRPCKIQRPJOT-ZIAGYGMSSA-N	366.466	2.086	10	10	FECE	
CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1C[C@H]1C	1741640886	AJBWYXQFPAPDLW-UKRRQHHQSA-N	357.458	2.414	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@H](CNCc2ccc(O)cc2O)CO1	2041186283	BSJGDCXTIVASKW-IUODEOHRSA-N	352.431	2.117	10	10	FECE	
CC1(C)C[C@H](S(C)(=O)=O)CN1c1ccc(CO)cc1Br	2179921283	ZFAGIZSFFLLAQL-NSHDSACASA-N	362.289	2.343	10	10	FECE	
C[C@@H]1C[C@H](NS(=O)(=O)Cc2ccc(N)cc2)CN1C(=O)OC(C)(C)C	2044236965	KIUUXYGBASSLFE-DOMZBBRYSA-N	369.487	2.086	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1	2054411377	XTXVEUYCZXRBKA-AAEUAGOBSA-N	350.415	2.473	10	10	FECE	
C[C@H](COCC(=O)N(C)Cc1ccccc1O)NC(=O)OC(C)(C)C	2060418450	MCTYLTQCZMSKTA-CYBMUJFWSA-N	352.431	2.280	10	10	FECE	
CO[C@H]1C[C@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060614442	CJNUYXQGQQIJLF-FRRDWIJNSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1CC(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2067687541	ZIQCPCBBPAJLPR-YNEHKIRRSA-N	353.423	2.218	10	10	FECE	
CC[C@H](C)NC=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	2297315642	SNOHFXDQKPFPAI-VIFPVBQESA-N	366.215	2.304	10	10	FECE	
Cc1noc([C@@H](NCC(=O)N(C)Cc2ccc(N(C)C)cc2)C(C)C)n1	179894900	SMIQHMMVAUEEKS-SFHVURJKSA-N	359.474	2.389	10	10	FECE	
O=C1NC(=S)NC(=O)C1=CNc1ccc(-c2nc3ccccc3[nH]2)cc1	29008708	SCKPSLLRQXIFCV-UHFFFAOYSA-N	363.402	2.057	10	10	FECE	
Cc1c(Br)cc([C@@H]2CNCCN2)c(O)c1Br	309384707	LSYVGVVOPXLHGT-VIFPVBQESA-N	350.054	2.460	10	10	FECE	
Nc1ccc(OCCNS(=O)(=O)c2ccc(Br)cc2)cc1	38079611	IOSHFBPUNJDCEF-UHFFFAOYSA-N	371.256	2.389	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)N1CC[C@H](N=[N+]=[N-])C1)C[C@@H]1CCCO1	2259729972	PJWPSDZDWKXOPC-STQMWFEESA-N	353.423	2.314	10	10	FECE	
COC[C@@H]1CCN(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)C1	800920577	PORUDQXSHIHQEN-CQSZACIVSA-N	351.422	2.045	10	10	FECE	
CCOC(=O)[C@@H]1C[C@H](N=[N+]=[N-])[C@@H](O)C[C@H]1NC(=O)OCc1ccccc1	714445005	XEIPEUFVSGQVHR-KBXIAJHMSA-N	362.386	2.294	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC(c3ccccc3F)C2)c1	812745796	HOXWUPBNOPLACJ-UHFFFAOYSA-N	364.398	2.142	10	10	FECE	
COC(=O)[C@H]1COCCN1C(=O)Cc1cc(C)n(-c2ccccc2)c1C	829498709	DQVMVYHNAUQUOG-GOSISDBHSA-N	356.422	2.037	10	10	FECE	
COc1cc(O)c(CN2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)cc1OC	905700050	DGJWBUMCHZIRJR-FZKQIMNGSA-N	350.415	2.120	10	10	FECE	
CCn1ccc(=O)n(CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1=O	913545635	RDSHAJXIFSGUJQ-UHFFFAOYSA-N	369.396	2.459	10	10	FECE	
C[C@@H]1CCNC[C@@H]1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	842266725	LUDPBZKNMCKGRD-QAPCUYQASA-N	373.497	2.168	10	10	FECE	
CC[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCO1	852385022	JHPMOYIQWHATBL-VQIMIIECSA-N	361.486	2.405	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCCN3CCC[C@H](C)C3)C2)cc1	851979590	ZDENSMVFTDGFFQ-DLBZAZTESA-N	360.502	2.305	10	10	FECE	
Cc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)nc(C)n1	755429520	GQWJMVWIYOOXOO-UHFFFAOYSA-N	358.417	2.124	10	10	FECE	
Cc1ccc([C@@H](C)N[C@H]2CCN(c3ccc4nncn4n3)C2)c(O)c1C	858489550	GMNACMFHXMYLKF-CABCVRRESA-N	352.442	2.376	10	10	FECE	
C[C@H](NC(=O)N[C@@H](C)c1nccn1C)c1ccc(N2CCOCC2)cc1	852012259	HLXGZGXWPAWTJH-GJZGRUSLSA-N	357.458	2.378	10	10	FECE	
COc1ccc2ncc(C(=O)N[C@@H](C)Cc3ccc(N(C)C)cc3C)n2n1	854947568	AXIRQSXVDRSOJC-AWEZNQCLSA-N	367.453	2.473	10	10	FECE	
C[C@H]1CCCN(S(=O)(=O)NCc2cccc(Br)c2O)C1	766200471	LQUKHGUVZGRLLY-JTQLQIEISA-N	363.277	2.221	10	10	FECE	
Cc1ccc(C(=O)NCC[C@]2(O)CCOC2)cc1-n1c(C)cc(C=O)c1C	862129955	YCMOAEWCABBJEP-NRFANRHFSA-N	370.449	2.486	10	10	FECE	
O=C(CN1CCC[C@H]1C(F)F)NCc1ccc(N2CCOCC2)c(F)c1	761118777	OYBPBSIGFFXDDF-INIZCTEOSA-N	371.403	2.008	10	10	FECE	
CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)N1Cc2cccc(O)c2C1	871204535	FVAJTHKSRBAGHQ-FQEVSTJZSA-N	368.433	2.454	10	10	FECE	
Cc1cc(CC(=O)N[C@H](C)[C@@H]2CN(C)CCN2C)c(C)n1-c1ccccc1	896530149	IRJLNNWRPODPCB-UTKZUKDTSA-N	368.525	2.387	10	10	FECE	
Cc1ccc2ncc(C(=O)NCc3ccc4cccnc4c3O)c(=O)n2c1	1142728497	VTAAOYWECFEWOU-UHFFFAOYSA-N	360.373	2.187	10	10	FECE	
COc1ccc(CCNC(=O)Cc2ccc(O)c(O)c2)c(OC)c1OC	1143491124	CQPQAVSHAJRHNG-UHFFFAOYSA-N	361.394	2.025	10	10	FECE	
O=C1/C(=C/C=C/c2ccco2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1	1088740819	VCWCOOAAYGLONC-CTLXZIMASA-N	355.462	2.224	10	10	FECE	
CN1C[C@]23CCCC[C@@]2(C1)CN(CC(=O)NCc1ccc(N(C)C)cc1)C3	1308172004	XPCWDKYUJKRCNZ-SZPZYZBQSA-N	370.541	2.177	10	10	FECE	
C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)/C=C\c1ccc(O)c(O)c1	1163731800	SPBPHORYVKWQFZ-KWZYSKORSA-N	372.343	2.169	10	10	FECE	
O=S(=O)(Nc1ccc(Br)c(O)c1)c1cccc2nonc12	1321366347	KGXHNIBKTQAPGB-UHFFFAOYSA-N	370.184	2.492	10	10	FECE	
Cc1ccccc1[C@]1(F)CCN(C(=O)C(=O)NCCc2ccc(N)cc2)C1	1261383106	DGLPLRAVDJCIJJ-NRFANRHFSA-N	369.440	2.333	10	10	FECE	
COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCc2cccc(O)c2O)cc1	1347542069	IHEZCGSTVSCOIL-MRXNPFEDSA-N	370.405	2.027	10	10	FECE	
Cc1cc(CC(=O)NCc2ccc(C(N)=O)nc2)c(C)n1-c1ccccc1	1518500395	YWLCATACOOOPIR-UHFFFAOYSA-N	362.433	2.447	10	10	FECE	
COc1cccc(CNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c1O	1465993726	VYYYHSQWIHKDOG-UHFFFAOYSA-N	363.345	2.444	10	10	FECE	
COCCOCCc1ncc(C(=O)NCc2ccc(N3CCCC3)cc2)[nH]1	1464076373	IDHSVTBHXVDWEA-UHFFFAOYSA-N	372.469	2.145	10	10	FECE	
Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)c2cnn(C)c2n1	1543809509	LRYCCCGBGIUAPM-UHFFFAOYSA-N	365.437	2.043	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1CC[C@H](Nc2ncccn2)CC1	1545669250	RDLFODLRCGUMNL-SHTZXODSSA-N	356.426	2.217	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2Cc3ccccc3O2)N(C)C)cc1	1627464822	RZENVZUVPAFNCQ-ICSRJNTNSA-N	353.466	2.475	10	10	FECE	
O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)NCc1c(O)cccc1F	1635366952	SUXGRBOCWDULGD-UHFFFAOYSA-N	372.183	2.279	10	10	FECE	
O=C(Nn1cnc2sc3c(c2c1=O)CCCC3)c1cccc(O)c1O	1587376637	AOPAMQOGHMHKBO-UHFFFAOYSA-N	357.391	2.132	10	10	FECE	
COc1ccc(O)c([C@H](C)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)c1	2126903046	RLYAQXNMMRQSOG-MJEQTWJJSA-N	366.458	2.422	10	10	FECE	
CO[C@@H]1COCC[C@@H]1CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1	1682547617	FVCPGCZSJXMRSH-IEBWSBKVSA-N	361.486	2.480	10	10	FECE	
COc1ccsc1/C=C1/SC(=S)N(CCN2CCOCC2)C1=O	1772897589	AHKMWSZLMDRAFN-JLHYYAGUSA-N	370.521	2.290	10	10	FECE	
CCOc1ccnc(N2CCN(Cc3cc4c(cc3O)CCC4)CC2)n1	152678918	CDVVQMRLOBUSLF-UHFFFAOYSA-N	354.454	2.392	10	10	FECE	
NC(=O)CN(Cc1ccccc1)c1ccc(C=CC(=O)O)c([N+](=O)[O-])c1	2132057863	JLWHWIBOMCQGHS-UHFFFAOYSA-N	355.350	2.185	10	10	FECE	
COc1ccc(O)c(CNC23COC(CNC(=O)OC(C)(C)C)(C2)C3)c1	1922600820	IVUXBKHNWXXMIG-UHFFFAOYSA-N	364.442	2.317	10	10	FECE	
Cc1cc(Br)cc(CN2CC[C@@H]3CS(=O)(=O)C[C@@H]32)c1O	2151232708	LOJAOKZKGMKXLN-MFKMUULPSA-N	360.273	2.082	10	10	FECE	
CC(C)(C)OC(=O)N1CC2CC1(CCC(=O)C(=O)C[C@H]1C[C@H](N)C1)C2	2058076505	OJXOMVQGCGXBNR-ZKFUKYGUSA-N	350.459	2.432	10	10	FECE	
CO[C@H]1C[C@H](C(=O)NCC2(CN=[N+]=[N-])CC2)N(C(=O)OC(C)(C)C)C1	2060613465	RLKPXLLQHOIUGM-NWDGAFQWSA-N	353.423	2.218	10	10	FECE	
CO[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N(C)CCCN=[N+]=[N-]	2063955376	ZVTDAVHPQYRBRZ-STQMWFEESA-N	355.439	2.417	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(F)cc2O)[C@H](CO)C1	2084177673	YWFMZZLGNDKOSV-DZGCQCFKSA-N	354.422	2.239	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]([C@H](N)c2ccccc2O)[C@H]1OC	2084658869	BYFJWRDQVDSBSJ-FPCVCCKLSA-N	352.431	2.041	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@]2(CN(Cc3cc(N)ccc3O)CCO2)C1	2106688586	VGAAATDSTMTRQJ-LJQANCHMSA-N	363.458	2.186	10	10	FECE	
CN[C@@H](c1ccc2c(c1)CCN2C)[C@H](O)C1(NC(=O)OC(C)(C)C)CC1	2106860734	UXIUKMGGLWJFTG-IRXDYDNUSA-N	361.486	2.358	10	10	FECE	
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1c(O)cccc1Br	2114228341	OSOABGSOANNOTC-NXEZZACHSA-N	350.278	2.408	10	10	FECE	
CNC(=O)c1cncc(C=CC(=O)N2C[C@@H](C)Oc3c(F)cccc32)c1	2309903641	UGAAQYCXAXSDEH-GFCCVEGCSA-N	355.369	2.408	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCC[C@@H]3CN=[N+]=[N-])CO[C@@H]1C2	2334184385	WJPHOVMYJRVIAD-ZFRZLUBXSA-N	365.434	2.360	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN[C@H](C)c3nccs3)CC2)cc1	184415612	VTLGUDAXJRCQRQ-CQSZACIVSA-N	360.483	2.151	10	10	FECE	
COC(=O)[C@H](NCCN=[N+]=[N-])c1cccc(I)c1	381000647	MCBAKXLQGRPNGJ-SNVBAGLBSA-N	360.155	2.405	10	10	FECE	
Cc1c(CNC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cnn1C	89883092	OUVLDPBBPKBPMK-UHFFFAOYSA-N	359.385	2.434	10	10	FECE	
CC(C)[C@H](O)CNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92435998	BEYANHPWEKWGGH-HXUWFJFHSA-N	374.529	2.035	10	10	FECE	
COc1ccc(CNC[C@@H]2COCCN2C(=O)OC(C)(C)C)c(O)c1	385479556	NOKTYCVKYOQOIJ-CQSZACIVSA-N	352.431	2.126	10	10	FECE	
CC[C@H]1CN(Cc2cc(Br)ccc2O)CCN1C[C@H](C)O	245804727	YIJXORRZPWBCGR-WFASDCNBSA-N	357.292	2.432	10	10	FECE	
CC(C)n1[nH]ccc1=NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	255544424	WGXQSPWGYLGHPQ-UHFFFAOYSA-N	361.421	2.183	10	10	FECE	
CC(C)(C)C(=O)N1CCO[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1	377174343	XOLDAXJOGHAXDF-SFHVURJKSA-N	373.497	2.177	10	10	FECE	
O=C(COCc1cccnc1)NCc1cc(Br)ccc1O	807737045	LFFQUHUQXFGRGI-UHFFFAOYSA-N	351.200	2.383	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CN(CC(=O)Nc3ccc(N)cc3)CC[C@H]2C1	2163047566	ISRXIPJSGXFSLV-GJZGRUSLSA-N	374.485	2.396	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1	808528448	BWOZOUHKDHUDNV-HNNXBMFYSA-N	374.220	2.068	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3CCN(C4CC4)CC3)C2)cc1	824693584	LIAXAEPLPAVWPB-MRXNPFEDSA-N	358.486	2.011	10	10	FECE	
CN(C)c1ccc([C@H](N)CNC(=O)CCc2nc(C(C)(C)C)no2)cc1	832300382	UTQBBLLJUHYJEI-OAHLLOKOSA-N	359.474	2.182	10	10	FECE	
C[C@H](C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)C1CCOCC1	837709320	RTQVTJYEXOPDQY-ZDUSSCGKSA-N	368.424	2.480	10	10	FECE	
COC(=O)C[C@@]1(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)CCOC1	832258647	FDOZFGXMFABIBB-NRFANRHFSA-N	370.449	2.475	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCN(c3ncccc3C(N)=O)CC2)cc1	835024999	FKHAHWVLJQCRNY-SNAWJCMRSA-N	365.481	2.082	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCC(c3nnc4n3CCNC4)CC2)cc1	843118169	AONNWAPRGQWZRH-ONEGZZNKSA-N	366.513	2.340	10	10	FECE	
O=C(NCc1c(O)cccc1F)c1nn2c(c1Br)CCC2	928711046	ZIWQXAQZBFYKEC-UHFFFAOYSA-N	354.179	2.367	10	10	FECE	
C[C@@H](C[C@@H]1CCC(=O)N1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	925675861	GOWPPEQMRDZHCX-PXNSSMCTSA-N	370.541	2.365	10	10	FECE	
C[C@H](C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCOCC1	756430317	SVLWEWFXHMJVSU-HNNXBMFYSA-N	362.470	2.317	10	10	FECE	
O=C(O)c1cc(NS(=O)(=O)c2c(Cl)nc3ccccn23)ccc1O	757657125	RUIKGBPFRRJADD-UHFFFAOYSA-N	367.770	2.192	10	10	FECE	
CCCC[C@@H](NC(=O)NCC)C(=O)N[C@H](C)c1cc(OC)ccc1O	761972191	GZHLKKGGYRAJKD-IUODEOHRSA-N	351.447	2.456	10	10	FECE	
O=C(CN1CC[C@@H](c2ccccc2)NC1=O)N1Cc2cccc(O)c2C1	871207248	LGODUEPJIIKTQT-KRWDZBQOSA-N	351.406	2.391	10	10	FECE	
CS(=O)(=O)[C@H]1CCCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1	897582766	BKPFKNVRTUNFBD-NSHDSACASA-N	369.464	2.352	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H]1C[C@@H]1c1ccccc1	1324913591	HCFJTTCYPIWPNJ-WOJBJXKFSA-N	361.445	2.351	10	10	FECE	
Cc1ccc(O)c(CNC(=O)NCc2ncc(Br)cn2)c1	1256133199	FACBHUOGHSWUEN-UHFFFAOYSA-N	351.204	2.253	10	10	FECE	
CCCN(C(=O)C(=O)N1Cc2cccc(O)c2C1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	1330430146	DQEUMUXHRBNNON-QGTPRVQTSA-N	372.465	2.287	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@@](F)(CNC(=O)c2cccc(O)c2O)C1	2118176285	QCORCPJTGDJEIK-CKSWESSHSA-N	368.405	2.471	10	10	FECE	
C[C@@H]1CC[C@@H](C(N)=O)CN1c1nnc(-c2sccc2O)n1CC1CC1	1527163495	FTEZMDWKAGYBNZ-ZYHUDNBSSA-N	361.471	2.212	10	10	FECE	
CCn1c(O)nc2cc(C(=O)N[C@H](C)c3ccccc3O)ccc2c1=O	1471193302	BAFFOPREJGYIOM-LLVKDONJSA-N	353.378	2.319	10	10	FECE	
C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Cc1ccc(O)c(O)c1	1628985221	PQPPRIDCECNRTN-LBPRGKRZSA-N	356.426	2.493	10	10	FECE	
C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1noc(Cc2ccccc2)n1	1630775893	QOZACNMZXYMYFQ-LBPRGKRZSA-N	353.378	2.492	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3c(OC)ccnc3OC)C2)cc1	1632617578	VYPPBLDHWONDNG-CYBMUJFWSA-N	357.410	2.116	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2124540704	KPEPYTUSMBPXKQ-CXAGYDPISA-N	367.450	2.440	10	10	FECE	
O=C(Cn1cn[nH]c1=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12	156429475	RXIDVTSLDCYAMK-HXUWFJFHSA-N	374.400	2.336	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)c1nc(NC(=O)Cc2ccc(N)cc2)n[nH]1	2130117822	AIILGSRTLSASSC-JTQLQIEISA-N	360.418	2.154	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2CN(CC(=O)Nc3ccc(N)cc3)C[C@H]21	2132375150	NKMRWHYOCGZRMH-CZUORRHYSA-N	360.458	2.149	10	10	FECE	
OC[C@H]1C[C@H]1NCc1cc(Br)cc(Br)c1O	309517135	AHEMOTTXHXZGKA-GMSGAONNSA-N	351.038	2.388	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](C2CN(CC(=O)Nc3ccc(N)cc3)C2)C1	2196638616	KEWFTLAJUDKBKG-CQSZACIVSA-N	374.485	2.396	10	10	FECE	
C[C@]1(CNCc2cccc(Br)c2O)CCCS(=O)(=O)C1	2194277322	WUESDYDRVZDEIE-CQSZACIVSA-N	362.289	2.459	10	10	FECE	
CN1CCc2cc([C@](C)(O)COCCNC(=O)OC(C)(C)C)ccc21	2044715846	WXPQNRSGDYJLKB-LJQANCHMSA-N	350.459	2.428	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]2(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1	2049785601	CJLQBGXEEQRGGS-QGDIXAPHSA-N	350.459	2.289	10	10	FECE	
CN1CCc2cc([C@@H](O)[C@](C)(NC(=O)OC(C)(C)C)C(=O)O)ccc21	2058196933	GXYFVMAIWCURLH-KDOFPFPSSA-N	350.415	2.080	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@]1(C(=O)NCc2ccccc2O)CCOC1	2060478181	BVMUUEHFVNOYBB-GOSISDBHSA-N	350.415	2.034	10	10	FECE	
CN(C(=O)OC(C)(C)C)C1(C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)COC1	2060634009	UQOZOKNWRCPNKA-GFCCVEGCSA-N	353.423	2.314	10	10	FECE	
CN(C)c1ccc(OC[C@H](O)CCN2C(=O)c3ccccc3C2=O)cc1	2211924795	DJHZARNIQXUWMC-OAHLLOKOSA-N	354.406	2.179	10	10	FECE	
CCCS(=O)(=O)CCN(C)Cc1ccc(Br)cc1O	2114146709	BFALNHODLOCWEY-UHFFFAOYSA-N	350.278	2.411	10	10	FECE	
CN1C(=O)C(=C2SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21	2296664709	YZJYXMCITKSSOT-SNVBAGLBSA-N	360.460	2.413	10	10	FECE	
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)C=Cc3ccc(O)c(O)c3)C2)n1	2308001600	WQEOLVRBKMHJGB-MRXNPFEDSA-N	356.426	2.258	10	10	FECE	
COC(=O)C=Cc1ccc(N2CCNC(=O)[C@H]2CC(C)C)c([N+](=O)[O-])c1	2310631746	LHDXYKJKOXQYJR-MRXNPFEDSA-N	361.398	2.132	10	10	FECE	
Cc1ccc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)o1	103594218	NQONCEHOMBYPHI-LRVNMVSOSA-N	371.422	2.220	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)CN2C[C@@H](C(N)=O)O[C@H](C)C2)c1C	122263020	FEWCDEAOFGOGHD-QRWLVFNGSA-N	369.465	2.160	10	10	FECE	
CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CCN(c2ccccc2)C1=O	180769225	LAEFQKOOOWOJSJ-XAVKZTDYSA-N	352.390	2.375	10	10	FECE	
Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cnn1	276068019	LLZCXIFQCXQKST-KBPBESRZSA-N	358.417	2.468	10	10	FECE	
COc1ccc(CNC(=O)c2cnc(C(=O)OC(C)(C)C)cn2)c(O)c1	801976724	HCHQKQXLXUSZMW-UHFFFAOYSA-N	359.382	2.076	10	10	FECE	
COc1ccc(N2C[C@H](C(F)F)[C@@H](N)C2)c(OC)c1Br	2162637891	XZMIVLFGQLZZLV-YUMQZZPRSA-N	351.191	2.495	10	10	FECE	
CN(C)c1ccc([C@@H](N)[C@H]2Cn3cnnc3CN2C(=O)OC(C)(C)C)cc1	2163130143	FEPCBUWMQKWJJO-NVXWUHKLSA-N	372.473	2.163	10	10	FECE	
CN(C[C@@H]1CC=CCC1)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C	803688272	WPFGKFPPYQACBI-MRXNPFEDSA-N	355.482	2.500	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CCCc2n[nH]cc21	819696850	FYGPNJJKRWJGDG-CQSZACIVSA-N	357.410	2.127	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)/C=C/[C@@H]3CCCO3)cc2F)CC1	819250882	JEAQHNUUAUULHB-JKNJVXJCSA-N	361.461	2.319	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)CNC(=O)c3ccsc3)C2)cc1	819588486	MZXSHKRECNABNN-AWEZNQCLSA-N	373.478	2.129	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(C(=O)OC(C)(C)C)CCCO2)c1	901128001	SNYWVFDMOCEJQY-HXPMCKFVSA-N	365.426	2.469	10	10	FECE	
COc1ccc(N2CC[C@@H](N3C(=O)N[C@H](Cc4ccccc4)C3=O)C2)cc1	849357112	JQNFNEDBOHVIDR-IEBWSBKVSA-N	365.433	2.437	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)C[C@H]2CCOC[C@@H]2OC)cc1	844857492	YOQUPOPCBDOOKK-QAPCUYQASA-N	350.459	2.031	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC[C@@H]1CS(=O)(=O)c2ccccc2O1	843417324	AYKSSJQSDDPXTC-QGZVFWFLSA-N	360.479	2.386	10	10	FECE	
C[C@H](C(=O)N1Cc2cccc(O)c2C1)[C@@H](O)CN(C)C(=O)OC(C)(C)C	913726018	GCFPFHJCYSWYGB-LRDDRELGSA-N	364.442	2.098	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cccc4c3OCCO4)C2)cc1	855230124	NIADMAXOEDAWEU-CQSZACIVSA-N	354.406	2.475	10	10	FECE	
COc1ccc(N2CCC(N[C@@H]3CCO[C@@H]3c3nc(C)no3)CC2)cc1	858328286	JXCIYUCXORZVNW-MSOLQXFVSA-N	358.442	2.475	10	10	FECE	
COC(=O)c1cc(CN[C@@H]2CCN(c3ccc(OC)cc3)C2)n(C)c1C	850346080	BYNNMDCOKVEWNK-OAHLLOKOSA-N	357.454	2.497	10	10	FECE	
COc1ccc(N2CCN(CCCN[C@@H]3CCNC34CCC4)CC2)cc1	925516500	DFNCBILNHDVZHI-HXUWFJFHSA-N	358.530	2.082	10	10	FECE	
O=C(NCCCSc1nccs1)N1CCC(OCCCO)CC1	759602481	VOVKSKJQSMJWOV-UHFFFAOYSA-N	359.517	2.198	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3cn4ccsc4n3)C2)cc1	853250318	VZSYEKCJANMQSY-CYBMUJFWSA-N	371.466	2.483	10	10	FECE	
Cc1cc(C(=O)NCc2coc(CN(C)C)n2)c(C)n1-c1ccccn1	1123972347	XUIFHGMQSBNWOL-UHFFFAOYSA-N	353.426	2.469	10	10	FECE	
COc1ccc(N2CCC(NC(=O)Nc3cn(C)nc3OC)CC2)cc1	789323649	YLARRELNFQBUSY-UHFFFAOYSA-N	359.430	2.228	10	10	FECE	
COCCOCCOCCN(C)C(=O)c1cc2cc(O)c(O)cc2s1	897524660	AOQSMHHZUYIGDD-UHFFFAOYSA-N	369.439	2.064	10	10	FECE	
COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c(O)c1	794380997	HKYTWBCILUGOLW-OAHLLOKOSA-N	354.406	2.379	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCc2ccc(Cn3cncn3)cc2)cc1	1141606547	DSOOZZLJMLTTJX-UHFFFAOYSA-N	363.381	2.419	10	10	FECE	
COC(=O)/C=C/c1ccc(N2C[C@H](C)S(=O)[C@@H](C)C2)c([N+](=O)[O-])c1	790800434	ROPAZWWFRZNDNL-YILIYONBSA-N	352.412	2.127	10	10	FECE	
O=C(NCc1c(O)cccc1F)c1cccnc1I	1306898570	JFWRCOSQHVXUNY-UHFFFAOYSA-N	372.137	2.461	10	10	FECE	
COc1cccc(CC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1	1464531652	VYNZZVJMHXJYFG-HNNXBMFYSA-N	355.438	2.347	10	10	FECE	
COCCCN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CCN(C)CC1	1468720262	ITDILWUUJBUKDD-UHFFFAOYSA-N	361.446	2.422	10	10	FECE	
CCN1CC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	1465532407	BTCTYNJTMKBUDT-BBRMVZONSA-N	353.413	2.467	10	10	FECE	
CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cccc(O)c2O)c1	1558160195	SNCIACKQFZXMPS-UHFFFAOYSA-N	369.826	2.475	10	10	FECE	
COc1c(F)cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(N)c1F	1556158021	PPBPZESVIYSFLX-MRVPVSSYSA-N	352.337	2.328	10	10	FECE	
Cc1cc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(N)cc1F	1558125198	XXQFJSHYCRXSSU-UHFFFAOYSA-N	356.445	2.398	10	10	FECE	
Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CCC(C)(C)O	1726354261	HIRNGJXTNJZEQM-UHFFFAOYSA-N	373.501	2.221	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2cccc(C(=O)N3CCCC3)n2)cc1F	151712851	BXKHEXXNPHEGEQ-UHFFFAOYSA-N	370.428	2.453	10	10	FECE	
CSc1ccc(/C=C2/SC(=S)N([C@@H](CO)C(=O)O)C2=O)cc1	1858595766	HVTZMNHJBRXRJD-OTXQMUPVSA-N	355.462	2.055	10	10	FECE	
COC(=O)CCCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C	1865978020	WEMIMIKGHTYCAE-GOSISDBHSA-N	358.442	2.035	10	10	FECE	
CN1CCC(CNC(=O)OC(C)(C)C)(NCc2ccc(O)cc2O)CC1	2130839791	WKVFWBGPASQUAU-UHFFFAOYSA-N	365.474	2.177	10	10	FECE	
COc1ccc(N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1	2131050443	VTHZOZYPWWDNSB-NWDGAFQWSA-N	367.402	2.068	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)CN(C(=O)OC(C)(C)C)C1	2132409617	HAZBNZDIDLNTBE-CMPLNLGQSA-N	366.414	2.179	10	10	FECE	
O=C(OCc1ccccc1)N1C[C@H](O)[C@@H](NCc2ccc3c(c2)CCO3)C1	1997819443	DQQKTTQXAKMMLB-OALUTQOASA-N	368.433	2.093	10	10	FECE	
C[C@H](N)c1ccc(N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)cc1Br	400886805	JQQDDRNAPMLJNT-DCAQKATOSA-N	361.305	2.481	10	10	FECE	
CN(C(=O)CN1CCCN(Cc2ccccc2)CC1)c1ccc(N)cc1	323914938	KSZUAUHRRSOFCB-UHFFFAOYSA-N	352.482	2.440	10	10	FECE	
CN1CCc2cc([C@@H](N)c3cn(CCNC(=O)OC(C)(C)C)cn3)ccc21	2163138625	OVAZBCWGPCYZQT-GOSISDBHSA-N	371.485	2.448	10	10	FECE	
CN(C(=O)c1ccc(O)c(O)c1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1	2054397751	LQCJWWYERKNORX-ZDUSSCGKSA-N	350.415	2.473	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)NCCCCN=[N+]=[N-])[C@@H]2C1	2060634599	BSKYRPKSEJQAEA-AVGNSLFASA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COCC[C@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2060634135	VYIGGKMBOJGDGP-JHJVBQTASA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H](CCNCc2ccc(O)cc2O)C1	2060833239	JXSGRQJABULQPJ-OAHLLOKOSA-N	352.431	2.213	10	10	FECE	
CC(C)[C@@H](CNC(=O)c1cc(O)c(O)c(O)c1)NC(=O)OC(C)(C)C	2068618164	OADDXWHOOGNRKH-LLVKDONJSA-N	354.403	2.083	10	10	FECE	
CN(C(=O)Nc1ccc(N)cc1)[C@]1(CNC(=O)OC(C)(C)C)CCOC1	2106699759	PXUKVCZPUJOESX-SFHVURJKSA-N	364.446	2.416	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(c2ccc3c(c2)OCCCO3)C1	2226800946	XGFJFAGOYOCDGP-DZGCQCFKSA-N	364.442	2.312	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1CNC(=O)CCOc1ccc(N)cc1	2271980400	MJJHJJBICUNBJG-XJKSGUPXSA-N	363.458	2.457	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)C=Cc2ccc(O)c(O)c2)C(=O)N1c1ccccc1	2307987992	WGRZEGJZYWBDMS-CZUORRHYSA-N	352.390	2.421	10	10	FECE	
CN1C(=O)COc2cc(N=NN3CCN(C(=O)c4ccco4)CC3)ccc21	2330246218	RRSANKAWJQZYTI-UHFFFAOYSA-N	369.381	2.092	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3[C@H]4CC[C@H]3CC(O)C4)CC2)cc1	111851209	QUHOFAPPDUVQJD-IRXDYDNUSA-N	359.470	2.361	10	10	FECE	
Cc1ccc([C@@](C)(O)CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)o1	81834236	CZPSEIMDXMHNIF-ISPXXFMDSA-N	370.449	2.462	10	10	FECE	
Cc1nc(/C=C/c2ccc(N3CCOCC3)cc2)[nH]c(=O)c1CCC(=O)O	195503612	AXWLSGZDGDBFAZ-XBXARRHUSA-N	369.421	2.103	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN(C(C)=O)C3CCCC3)CC2)cc1	242894357	GNWDGKVUNFQSCN-UHFFFAOYSA-N	359.470	2.135	10	10	FECE	
CO[C@@H](C)CCS(=O)(=O)NCc1ccc(C)c(Br)c1O	2380722111	OGCRWXUBQBURIS-JTQLQIEISA-N	366.277	2.308	10	10	FECE	
O=C(OCc1ccccc1)N1C[C@@H]([N+](=O)[O-])[C@H](c2ccc(O)c(O)c2)C1	382711764	HNXWEOWDMFTKNS-LSDHHAIUSA-N	358.350	2.479	10	10	FECE	
Cc1cc(C(=O)N(C)[C@@H]2CCN3CCO[C@H]2C3)c(C)n1-c1ccccn1	295267389	DTOOTUCSHARGSL-MSOLQXFVSA-N	354.454	2.034	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CC(OC(=O)NC(C)C)C2)c([N+](=O)[O-])c1	808079469	GXFZEPIZKAKHHU-ALCCZGGFSA-N	363.370	2.104	10	10	FECE	
COC[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1	817833716	OKEXBGGVRUUADR-JKSUJKDBSA-N	361.486	2.205	10	10	FECE	
CC[C@H]1C[C@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCO1	817877863	FYWHJBCMNVBVQM-APWZRJJASA-N	373.497	2.317	10	10	FECE	
C[C@H]1CN(c2ccc(CNC[C@@H](O)C(F)(F)F)cc2F)C[C@@H](C)O1	818967641	XPPOXUVPWKPYOU-JRPNMDOOSA-N	350.356	2.452	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cn([C@@H]2CC[C@H]2O)nn1	900293175	XONTXUREMLLDCZ-QZTJIDSGSA-N	357.458	2.091	10	10	FECE	
COc1ccc(N2CCC(NC(=O)CC3CCN(OC)CC3)CC2)cc1	825425494	AEOYJRMGXHGKDS-UHFFFAOYSA-N	361.486	2.444	10	10	FECE	
CC[C@@H]1[C@@H](CO)CCN1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	837882832	RJMMBXYPWCORQQ-KVSKMBFKSA-N	361.486	2.387	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3ccccc3CCN)C2)cc1	846682069	DIOGOJDALIWKOC-MRXNPFEDSA-N	353.466	2.453	10	10	FECE	
CN1CCN(c2cccc(C(=O)NCc3cc(Cl)ccc3O)n2)CC1	846472858	GGHOBXFCAOSAGG-UHFFFAOYSA-N	360.845	2.122	10	10	FECE	
COC(=O)c1sccc1NC(=O)CN1CCCc2cc(CN)ccc21	843349824	FEVROFXIICPOCV-UHFFFAOYSA-N	359.451	2.385	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)COCC(=O)OC(C)(C)C	843606428	BXGKNJVLXYBEAD-HNNXBMFYSA-N	364.486	2.467	10	10	FECE	
O=C(NCc1c(O)cccc1F)[C@H]1CCCN1C(=O)Cc1ccccc1	928710291	AKIWXTKOOZKENJ-QGZVFWFLSA-N	356.397	2.381	10	10	FECE	
Cc1ccc([C@H](C)NCC(=O)NCC(=O)NCc2ccccc2)c(O)c1C	926964659	LOLZTTHNMJEGDI-INIZCTEOSA-N	369.465	2.092	10	10	FECE	
Cc1cc(CN2C[C@H](C(=O)O)C[C@H](c3cnn(C)c3)C2)ccc1N(C)C	923263337	DCKWTWRJGYIMQR-DLBZAZTESA-N	356.470	2.485	10	10	FECE	
C[C@@H](N[C@@H]1CCc2nnn(C)c2C1)c1cc(Br)ccc1O	927147979	VNAUJDXMJDSLMW-MWLCHTKSSA-N	351.248	2.491	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@@H]3[C@H]4C[C@@H]5CO[C@H]3[C@H]5C4)CC2)cc1	868901717	AFVVEOGHVNRYJR-DJLVLGKWSA-N	371.481	2.340	10	10	FECE	
O=C(c1c(Br)nc2n1CCOC2)N1Cc2cccc(O)c2C1	871207710	RFPSCBDOSQSXLN-UHFFFAOYSA-N	364.199	2.037	10	10	FECE	
CCOC(=O)c1nn(C)cc1CNCc1cccc(Br)c1O	775150868	CAGQXQNPJKLLKT-UHFFFAOYSA-N	368.231	2.355	10	10	FECE	
OC[C@@]1(CNCc2cc(Cl)cc(Br)c2O)CCCO1	1879592027	OJNDDOYNNVEOKR-ZDUSSCGKSA-N	350.640	2.439	10	10	FECE	
COc1ccc(Cn2nnc(C(=O)NCc3ccccc3O)c2C)cc1	1137471338	HEVXQGOEYYZJJX-UHFFFAOYSA-N	352.394	2.279	10	10	FECE	
Oc1c(Br)cc(Br)cc1CN1C[C@@H]2C[C@@]2(O)C1	895651939	DSWLAINMHGPUDK-QPUJVOFHSA-N	363.049	2.484	10	10	FECE	
CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1CCCn1cnnn1	1305381997	HKLBFGJTSNBSIK-CQSZACIVSA-N	370.461	2.210	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[C@@H]1C=CS(=O)(=O)C1	1162113818	JXHNJYPMZYGXSO-CABCVRRESA-N	350.484	2.057	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1cccc(NC(=O)[C@H]2CCCO2)c1	1162271803	RTAYRJNJSWFUHP-QGZVFWFLSA-N	356.378	2.145	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Cc3ccccc3)cc2)C1	1318222458	OTPXPMIDNFGURB-SFHVURJKSA-N	351.450	2.247	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@H]1CCN(c2cccc(Cl)c2)C1=O	1178911600	NUFCDEDJCAXAOL-CYBMUJFWSA-N	360.797	2.421	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)c3cn(C4CCC4)nn3)CC2)cc1	1327168162	NXRAEKRUULECKK-UHFFFAOYSA-N	355.442	2.364	10	10	FECE	
CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(N=NC(N)=O)cc1	1440742754	APBTVXICZMXJHI-MFKMUULPSA-N	363.443	2.279	10	10	FECE	
C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO)c1cc(O)ccc1O	2116266657	PWJBBMYLSIPEGC-HEHGZKQESA-N	366.458	2.366	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNc3cc(Cl)nc(O)n3)cc2)CC1	1652239592	OWVOEUSZZCAMPV-UHFFFAOYSA-N	361.833	2.149	10	10	FECE	
COC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)/C=C\c1ccc(C)nc1	1595591299	USSVEDVCSAZGAD-YVMONPNESA-N	351.362	2.175	10	10	FECE	
Cc1ccc(O)c(CNC(=O)NCc2ccccc2Cn2cncn2)c1	1681827469	HRQXQPGFPYCHQQ-UHFFFAOYSA-N	351.410	2.340	10	10	FECE	
COc1ccc(-n2nnnc2CNC(=O)CCCc2ccccc2)cc1	16955094	UNSOVBOYYZUFSY-UHFFFAOYSA-N	351.410	2.310	10	10	FECE	
CC[C@]1(NC(=O)c2cc(O)c(O)c(O)c2)CCN(C(=O)OC(C)(C)C)C1	2132391784	BXJCOWDXYLLFQR-SFHVURJKSA-N	366.414	2.323	10	10	FECE	
C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cc(O)c(O)c(O)c1	2132402047	WXEXOMBYTSHGOY-ZYHUDNBSSA-N	366.414	2.321	10	10	FECE	
CCc1c(OCCOc2ccc(N)cc2)c(=O)ccn1[C@@H](CC)C(=O)O	1857913615	QKBWEDYGFCFVEN-INIZCTEOSA-N	360.410	2.486	10	10	FECE	
O=C(N[C@@]1(c2c(O)cc(O)cc2O)C[C@@H]1C(=O)O)OCc1ccccc1	1952773984	CBDQHXVYVBLSEF-XIKOKIGWSA-N	359.334	2.030	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)O1	2060632907	HHSCIYUIDJWCTK-FRRDWIJNSA-N	353.423	2.218	10	10	FECE	
CO[C@H](C(=O)NCC1(CN=[N+]=[N-])CC1)C1CN(C(=O)OC(C)(C)C)C1	2060634190	WQKGWEUXKODPNR-LBPRGKRZSA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](CO)(NCc2cccc(F)c2O)C1	2070038355	XPURXGZNQUMSTL-SFHVURJKSA-N	354.422	2.383	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)CCOc2ccc(N)cc2)[C@H]2C[C@H]21	2106703479	QACPXIDNXCWDSB-JKSUJKDBSA-N	361.442	2.258	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(CC(=O)Nc2ccc(N)cc2)C1	2106750224	IUCBQUQNRUIDQD-UONOGXRCSA-N	362.474	2.442	10	10	FECE	
CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2218744677	ZRMIZPCVYGMWNA-AGIUHOORSA-N	354.455	2.179	10	10	FECE	
O=C(CCN1C(=O)C(=Cc2ccccc2)SC1=S)N1CCOCC1	2297297327	GDZMSQCGVAUGTB-UHFFFAOYSA-N	362.476	2.137	10	10	FECE	
Cc1nc(C2(NC(=O)/C=C/c3ccc(N4CCOCC4)cc3)CCC2)no1	108692725	CSZBENUHGPPMJB-VMPITWQZSA-N	368.437	2.423	10	10	FECE	
Nc1cc2c(cc1N1C[C@H]3C[C@H]1CN3Cc1ccccc1)NC(=O)CO2	311374174	VJPDXQZOWWRTBU-CABCVRRESA-N	350.422	2.063	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H](OCc4ccncc4)C3)cc2N1	375667467	YFCSRBXSBRYUCN-CYBMUJFWSA-N	370.365	2.116	10	10	FECE	
CN1CCN(c2ccc(CNC[C@H]3CCC4(CCOCC4)[C@@H]3O)cc2)CC1	801735219	NQYNMZSQXDWKOC-TZIWHRDSSA-N	373.541	2.096	10	10	FECE	
CC[C@H](NC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)[C@H](O)C(F)F	824682381	ZHHPIEZCWAJJFJ-KCXAZCMYSA-N	371.428	2.225	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3CCn4cc(C)nc4C3)C2)cc1	824687752	UWOJTMVZKVSPKS-MRXNPFEDSA-N	369.469	2.252	10	10	FECE	
CC(=O)C(=O)COC(=O)c1cc(Br)ccc1OC(F)F	830789450	XJHAVYQGYCFOIQ-UHFFFAOYSA-N	351.099	2.365	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=S)NCC3CCN(C)CC3)C2)cc1	849270514	HDLLUGMGWUPWBG-MRXNPFEDSA-N	362.543	2.080	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3cc(Cl)c[nH]3)CC2)cc1	742926890	DYABDOSHJTTYGG-UHFFFAOYSA-N	362.861	2.229	10	10	FECE	
CN1C(=O)/C(=C\c2cnc(N3CCOCC3)s2)c2cc([N+](=O)[O-])ccc21	840722022	DWCOGRFAXVXWFP-ZROIWOOFSA-N	372.406	2.405	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3CCn4cc(C)nc4C3)CC2)cc1F	859965720	DXGXXHKYCMSWNC-HNNXBMFYSA-N	372.444	2.250	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NC2CC3(CO[C@@H](C)C3)C2)cc1	929526541	SCSZSYIQALLQNM-NNDYNSRJSA-N	373.497	2.223	10	10	FECE	
COc1cc(C(=O)Nc2cccc(N3CCOCC3)c2)cc(OC)c1O	763964666	QFEITUKHQPTSOI-UHFFFAOYSA-N	358.394	2.498	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)NCC1(OCCO)CCC(F)(F)CC1	862743495	SHJFPONCJHEDGM-DUXPYHPUSA-N	371.380	2.184	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)NCC[C@@H]1CCc2ccccc2N1	1118332333	FSQYBMRLZLGSJD-KRWDZBQOSA-N	367.449	2.284	10	10	FECE	
O=C(O)c1cc(NS(=O)(=O)c2ccc(Br)cn2)ccc1O	776434945	RZYWSHKKWPEHNM-UHFFFAOYSA-N	373.184	2.049	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnc(O)c1Br	772541802	SQHULXFTCBZRRC-QMMMGPOBSA-N	367.199	2.322	10	10	FECE	
C[C@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCN1CCO	779215277	WUOAVSYPRDSMAP-INIZCTEOSA-N	362.474	2.084	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(O)(COCCO)CC2)cc1	899584171	FHGMJKBDRUVJFV-UHFFFAOYSA-N	372.465	2.070	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)C1CCC(O)CC1	792292192	XBMWCBITTNSCDV-UHFFFAOYSA-N	371.525	2.386	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(C)(C)CN1CCOCC1	1142419645	TUGJOXCUVCHOJS-KRWDZBQOSA-N	361.530	2.467	10	10	FECE	
COc1cc(N)c(N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1OC	711793870	HDMAVVIWKHILIY-NRFANRHFSA-N	371.481	2.359	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C(C)(C)C)n1CCOCCCO	1503486983	IXIZPNPUVHXZNK-UHFFFAOYSA-N	362.474	2.317	10	10	FECE	
O=C(CNC(=O)c1ccncc1)Nc1c(-c2ccccn2)nc2ccccn12	1450716186	RWHLAMTWNQKUJW-UHFFFAOYSA-N	372.388	2.160	10	10	FECE	
CN(C)c1ccc(CNC(=O)[C@@]2(N(C)C)COc3ccccc3C2)cc1F	1292281384	DVWDEDLDBWUTEM-NRFANRHFSA-N	371.456	2.443	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2c(F)ccc(O)c2O)C1	1611624501	LPAGRCRHVJVXGD-MGCOHNPYSA-N	354.378	2.270	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2C2CC2)cc1	1491718284	XYOFWWJNFFCHRM-LSDHHAIUSA-N	357.414	2.131	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC[C@H](O)C(F)(F)C(F)(F)F)cc1	1636669832	HPXDJEOEVXPDJU-QMMMGPOBSA-N	354.235	2.137	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CC(=O)N2CCC(CN=[N+]=[N-])CC2)C1	2124533769	FVWFOYXMPKVPJY-ZIAGYGMSSA-N	367.450	2.153	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1cccc(S(=O)(=O)C(F)F)c1	1643882116	NQQRFLWIGGRIOD-UHFFFAOYSA-N	357.334	2.024	10	10	FECE	
O=C1CC[C@@]2(C(=O)NCc3c(O)cccc3O)Sc3ccccc3N12	1652623028	NGBMHOSKCCZMEI-SFHVURJKSA-N	356.403	2.343	10	10	FECE	
CC(C)(C)OC(=O)NCc1ncc(NC(=O)c2cccc(O)c2O)cn1	2134934090	VIINJCONFWVNFI-UHFFFAOYSA-N	360.370	2.165	10	10	FECE	
C[C@@H]1C[C@@H]1CNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136258434	IVSGFZUULHEKHD-BNOWGMLFSA-N	364.442	2.306	10	10	FECE	
C[C@@H](c1ccc(O)cc1O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1	2136339869	VPSPIPVAPQVIPY-VOJFVSQTSA-N	366.414	2.213	10	10	FECE	
Cc1cccc(CNC(=O)[C@H]2C[C@@H](O)CCN2C(=O)OC(C)(C)C)c1O	2139761497	HWDLFKXBADQTST-LSDHHAIUSA-N	364.442	2.077	10	10	FECE	
O=[N+]([O-])c1cc(CO)ccc1N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1	2153997938	QHKLLZXSNCSBBH-UXHICEINSA-N	369.421	2.177	10	10	FECE	
C[C@@H](CCS(C)(=O)=O)N(C)c1ccc(CN)c(Br)c1F	2160736459	PKBMOESUNUPFGW-VIFPVBQESA-N	367.284	2.306	10	10	FECE	
N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCCCOCc1ccccc1	390699509	CBXUEFONOWSYTD-KRWDZBQOSA-N	358.438	2.081	10	10	FECE	
CN1CCc2cc([C@H](N)c3cnc(CNC(=O)OC(C)(C)C)n3C)ccc21	2179600942	HPLBIDIMVUXMIN-SFHVURJKSA-N	371.485	2.485	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C1	2060638369	WEHBEAUBASDZBD-OLZOCXBDSA-N	353.423	2.314	10	10	FECE	
CO[C@@H](C(=O)NCC1(CN=[N+]=[N-])CC1)C1CN(C(=O)OC(C)(C)C)C1	2060634189	WQKGWEUXKODPNR-GFCCVEGCSA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1	2060633841	RXARDOGNZKSPSA-STQMWFEESA-N	353.423	2.171	10	10	FECE	
CN(C(=O)C1=C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1	2080948257	SHCQNRQPOLDFJT-GJZGRUSLSA-N	350.390	2.373	10	10	FECE	
N[C@H](c1ccccc1O)[C@@]1(O)CN(Cc2ccccc2)[C@]2(CCOC2)C1	2100082822	GQLHAFHCZTWAPV-NJYVYQBISA-N	354.450	2.188	10	10	FECE	
CN(CCOC(F)F)c1cc2c(cc1Br)[C@@H](N)C(=O)N2	2202947662	TZRZOJFBZUFXIN-SNVBAGLBSA-N	350.163	2.076	10	10	FECE	
Nc1cc2c(cc1N1CCC[C@H](NC(=O)C(F)(F)F)CC1)OCCO2	2270603178	SBGFRZKNZRDQPX-JTQLQIEISA-N	359.348	2.077	10	10	FECE	
CCN1CCc2cc([C@@H](N)[C@](O)(CF)CNC(=O)OC(C)(C)C)ccc21	2265165477	IWJIHPZSXYCMDS-APWZRJJASA-N	367.465	2.294	10	10	FECE	
Cc1ccccc1N1C(=O)C(=Cc2ccc(O)c(O)c2)C(=O)NC1=S	2296932787	MINMIVUNVNNWIP-UHFFFAOYSA-N	354.387	2.238	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C)CN(C(=O)c2ccc(O)c(O)c2)CC1(F)F	2336646621	SZIFMGIMEQDVHQ-INIZCTEOSA-N	372.368	2.472	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@](CF)(NCc1ccc2c(c1)CCO2)C(=O)O	2349079520	FNQVHPVUUDBOAM-GOSISDBHSA-N	368.405	2.029	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN(C)CCc3ccc(F)cc3)nc12	55025020	BCYZAYWNVCNFTA-UHFFFAOYSA-N	372.400	2.425	10	10	FECE	
COc1cccc(CNC(=O)NC2CCN(c3ccccn3)CC2)c1O	73715473	UEJVAHNOTIOKRN-UHFFFAOYSA-N	356.426	2.264	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N2C[C@@H](C)Oc3c(F)cccc32)c1	185587383	UGAAQYCXAXSDEH-NNNHXZLVSA-N	355.369	2.408	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnc(N4CCCC4)cn3)CC2)cc1	243544922	OGWVDOBZMYHCSE-UHFFFAOYSA-N	367.453	2.048	10	10	FECE	
NC(=O)c1cnc(CNCc2cc(Br)cc(F)c2O)s1	2168501330	XOBSTNKVIDCLMX-UHFFFAOYSA-N	360.208	2.139	10	10	FECE	
COc1cc(Br)cc(CN2CC[C@@](O)(C(F)F)C2)c1O	824726967	XWMWHXSUNPQONS-ZDUSSCGKSA-N	352.175	2.365	10	10	FECE	
CC[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCCCO1	848939181	FQNQZQPSHLWLFT-QZTJIDSGSA-N	361.486	2.175	10	10	FECE	
CCOCCCN1CC[C@H](NC(=O)NCc2c(O)cccc2F)[C@H](C)C1	919049850	FSXBLUFQOZBVPA-PBHICJAKSA-N	367.465	2.468	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)NCC[C@@]3(O)CCOC3)cc2)CC1	844966356	XDEDMLVMCJRLKN-HXUWFJFHSA-N	361.486	2.264	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)c2nnc(O)n2C)cc1	926131689	APHVZHPIZKKZER-CYBMUJFWSA-N	360.462	2.270	10	10	FECE	
COc1ccc(N2CC[C@H](N=c3nn[nH]n3-c3ccc(C)cc3)C2)cc1	853758884	MDDLAZLPDHGMSF-HNNXBMFYSA-N	350.426	2.092	10	10	FECE	
C[C@]1(Br)C[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1	858724133	KFSYWEJQSDOIJJ-HOCLYGCPSA-N	353.260	2.313	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc(-n4cccn4)nc3)C2)cc1	855230912	GOEDQYXEAOMDOC-MRXNPFEDSA-N	363.421	2.285	10	10	FECE	
C[C@H](N[C@@H](CO)c1ccnn1C)c1cc(Br)cc(F)c1O	858434414	GKDWCTWRNGGTQE-UFBFGSQYSA-N	358.211	2.412	10	10	FECE	
O=C(O)[C@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1	852951235	PHXMDPOUAFCQCD-WFASDCNBSA-N	368.380	2.484	10	10	FECE	
CNC(=O)[C@@H]1CCN(C(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)C1	862017149	ZXCMRLFLWFKGLE-QGZVFWFLSA-N	367.449	2.044	10	10	FECE	
CNC(=O)COc1cccc(CNC(=O)N[C@@H](C)c2ccccc2O)c1	868073945	VINYZJYUTWPKOY-ZDUSSCGKSA-N	357.410	2.077	10	10	FECE	
O=C([C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1)N1CCCC1	769405965	ZMJYBPMJQJPWPG-LJQANCHMSA-N	357.498	2.358	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CCOC[C@@H]1C	768179447	GOBUIFHCESIJIV-FZMZJTMJSA-N	355.818	2.220	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(Cn2cccnc2=O)c1	779501833	SWPGLWNVPJXENC-SOFGYWHQSA-N	363.373	2.355	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NCCCc2ccccn2)cc1	788952058	UGYCKTGYZRGVOR-UHFFFAOYSA-N	368.481	2.293	10	10	FECE	
COC(=O)c1c(CN2CCC[C@@H](OCCO)C2)c2cc(F)ccc2n1C	894016298	ABWAAALQGYYNCR-CQSZACIVSA-N	364.417	2.077	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C)cc1	790670113	AETLRCMDKWKWFN-AEFFLSMTSA-N	365.518	2.490	10	10	FECE	
COc1ccc(CNCCCN2C(=O)COc3ccccc32)c(O)c1OC	893092006	IBQCDGUIXZAJKN-UHFFFAOYSA-N	372.421	2.315	10	10	FECE	
Cc1ccc(O)c(CNC(=O)c2ccc(F)c(NS(C)(=O)=O)c2)c1	1167293728	PSMIWRCXNFQRHH-UHFFFAOYSA-N	352.387	2.141	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C(=O)NCc2ccccc2O)C1	1964888512	FSWDTQWXACWLER-HIFRSBDPSA-N	350.415	2.081	10	10	FECE	
C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NCc1c(O)ccc2ccccc12	1635965223	RFCZLHNJNFTGBW-YJYMSZOUSA-N	370.449	2.217	10	10	FECE	
CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCCC[C@@H](CN=[N+]=[N-])C2)C1	2124512094	JPYSLXMLSZHLDJ-ZDUSSCGKSA-N	367.450	2.297	10	10	FECE	
Cn1nc(C(F)(F)F)c2cc(C(=O)NCc3cccc(O)c3O)cnc21	1651175622	GTIUGMRHJZQYFT-UHFFFAOYSA-N	366.299	2.328	10	10	FECE	
COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCc2cc(O)ccc2O)cc1	1651225348	GJEFNJZOZGTVGF-QGZVFWFLSA-N	370.405	2.027	10	10	FECE	
CN(c1ccc(CNC(=O)NCc2nc(N)n[nH]2)cc1)C1CCCCC1	1675310749	ZTUFHIFHFWRPEB-UHFFFAOYSA-N	357.462	2.155	10	10	FECE	
Cc1cccc(CNC(=O)[C@H]2[C@H](C)OCCN2C(=O)OC(C)(C)C)c1O	2139740691	BVQALGOPFLXYGV-DZGCQCFKSA-N	364.442	2.341	10	10	FECE	
O=C(O)C[C@H](CNC(=O)OCc1ccccc1)c1ccc(O)c(O)c1O	1951478454	RAWAROQBRYTREW-GFCCVEGCSA-N	361.350	2.288	10	10	FECE	
CN(C)Cc1cc([C@@]2(NC(=O)OC(C)(C)C)C[C@H]2C(=O)O)ccc1O	1952950547	LBXJGSNKYAUXIM-UGSOOPFHSA-N	350.415	2.278	10	10	FECE	
C[C@@H](NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C)c1c(O)cccc1O	394391216	HLGWCJWBMHRUCB-KGLIPLIRSA-N	365.474	2.300	10	10	FECE	
CN1CCc2cc([C@@H](N)[C@@]3(O)CCC34CN(C(=O)OC(C)(C)C)C4)ccc21	2179699119	BCSOUISDITYHLO-UTKZUKDTSA-N	373.497	2.441	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN([C@@H](CN)c2ccc(N(C)C)cc2)C1	2194911366	XCOUSXBLKSNZIR-XPKDYRNWSA-N	372.435	2.141	10	10	FECE	
C[C@@H](NC(=O)COc1ccc(N)cc1)C(C)(C)NC(=O)OC(C)(C)C	2076542865	KDXCRQMFPMIOLT-GFCCVEGCSA-N	351.447	2.456	10	10	FECE	
COc1ccc(CNC[C@H]2COCCN(C(=O)OC(C)(C)C)C2)c(O)c1	2102326113	XKKNWGSBEXQQGT-CQSZACIVSA-N	366.458	2.374	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])CO1	2218739896	HITGUMZWTYGBAO-LOWDOPEQSA-N	353.423	2.358	10	10	FECE	
CCc1ccc(C=C2SC(=S)N(CCS(=O)(=O)O)C2=O)cc1	2296539275	KSZWNNFXNYQMBS-UHFFFAOYSA-N	357.478	2.338	10	10	FECE	
CCN(C(=O)C=Cc1cn(C)c(=O)n(C)c1=O)c1ccc2ccccc2c1	2297420632	RIZNMTIPPUUNDT-UHFFFAOYSA-N	363.417	2.304	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N1CCCN(C(=O)c2ccccc2)CC1	2307982088	NCBVMMDNOJMYNX-UHFFFAOYSA-N	366.417	2.486	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CCCn2ncnc21	177344211	GSVBFVHPHAAOOG-MRXNPFEDSA-N	372.498	2.166	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCC(CN4CCCC4)CC3)cc2N1	129956578	DQQOAFSZESCHLN-UHFFFAOYSA-N	360.414	2.238	10	10	FECE	
CN(C)C[C@@H]1CCN(C(=O)c2cccc3c2C(=O)c2ccccc2C3=O)C1	180863500	YUIUDTMQOWKREH-AWEZNQCLSA-N	362.429	2.486	10	10	FECE	
COC(=O)COc1ccc(N(C)CCn2cnc3ccsc3c2=O)cc1	183800893	QXYMDJKZGXINKV-UHFFFAOYSA-N	373.434	2.146	10	10	FECE	
O=C(Nc1cccc(CNC(=O)C(F)(F)F)c1)c1cc(O)c(O)c(O)c1	216832235	WEMRXRAQWLOMKO-UHFFFAOYSA-N	370.283	2.234	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)c3cccnc3)cc2)CC1	188119303	JSXDAZMHWUXXFS-INIZCTEOSA-N	366.465	2.170	10	10	FECE	
COc1ccc(O)c(CNC(=O)N[C@H]2CCCn3nc(C(C)C)nc32)c1	128507959	YSVXAHLTXNCMSW-AWEZNQCLSA-N	359.430	2.450	10	10	FECE	
CC(=O)N(C(=O)Nc1ccc(NS(C)(=O)=O)cc1)c1ccc(N)cc1	217282467	RMSIAJVZPSARML-UHFFFAOYSA-N	362.411	2.225	10	10	FECE	
C[C@H](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCO1	822687883	HKNVSAXCBAYECT-KDOFPFPSSA-N	350.434	2.484	10	10	FECE	
O=C1OCCN1C[C@@H]1CCN(Cc2ccc(Br)cc2O)C1	826023822	HXOHSIVJRRJDFC-LLVKDONJSA-N	355.232	2.429	10	10	FECE	
Cc1cc(CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c(C)n1-c1ccccc1	820452732	WJSWXHZBIJQTGP-IBGZPJMESA-N	360.479	2.330	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N[C@@H](C)c1cscn1	829678574	MZUQAODLTDYTTE-KGLIPLIRSA-N	374.510	2.442	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H]3C3CC3)cc2)C1	728746612	DUULDKKIVFDPIO-IEBWSBKVSA-N	370.497	2.472	10	10	FECE	
CN1CCCc2cc(CNC(=O)c3nnn(C)c3C(F)(F)F)ccc21	906455106	MDCICLXKVFXZMB-UHFFFAOYSA-N	353.348	2.146	10	10	FECE	
Nc1ccc(OCCCON2C(=O)COc3ccc(C(=O)O)cc32)cc1	821299686	MKBOYPIBRIXRIG-UHFFFAOYSA-N	358.350	2.093	10	10	FECE	
COc1ccc(O)c(CNC(=O)c2ccc(-c3ccccn3)nc2O)c1	734014984	QIIXUONIFSTVEY-UHFFFAOYSA-N	351.362	2.493	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)NCC1(CF)CCOCC1	836249301	NCLNLECJONYIEP-UHFFFAOYSA-N	365.449	2.089	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N[C@@H]3CC[C@H](C(=O)O)C3)CC2)cc1	831012064	KYXJBXRUEWEAFP-DZGCQCFKSA-N	361.442	2.217	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CNC[C@@H]3CCC[C@@H]4C[C@@H]34)CC2)cc1	849330228	MDHFUEOGLJXEKC-BAYUQKDNSA-N	373.541	2.204	10	10	FECE	
CCN(CC)c1ccc(CN2C(=O)N[C@@H]([C@@H](O)c3ccncc3)C2=O)cc1	924486217	DSHDXWVTOFJSRH-ROUUACIJSA-N	368.437	2.082	10	10	FECE	
CC(C)(C)OC[C@@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O	928243265	MSYIEIAENPSTGZ-ZDUSSCGKSA-N	370.471	2.183	10	10	FECE	
CC(C)c1ncc2c(n1)CCN(c1cc3c(cc1[N+](=O)[O-])OCC(=O)N3)C2	857874520	SHDVKXYKPPUGDM-UHFFFAOYSA-N	369.381	2.402	10	10	FECE	
CCOC(=O)C1CCC(O)(C[C@H](O)CN(C)Cc2ccccc2O)CC1	929975446	HKTJAAGKYWEOMD-CMVHYPBASA-N	365.470	2.059	10	10	FECE	
C[C@@H]1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCO1	922821700	CZMNTBVUKBFPPZ-CYBMUJFWSA-N	369.412	2.122	10	10	FECE	
COc1ccc(N2CCC(NCCC3(CS(C)(=O)=O)CC3)CC2)cc1	850345068	IHZJOGGELMLVCZ-UHFFFAOYSA-N	366.527	2.469	10	10	FECE	
CCOC(=O)[C@H]1c2ccoc2CCN1C(=O)/C=C\c1ccc(O)c(O)c1	862683407	BLDRUSZTUCBDFY-WLPBJKJWSA-N	357.362	2.393	10	10	FECE	
CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2O)cc1	867833912	HKYQDIDVNQITJA-ZDUSSCGKSA-N	362.451	2.110	10	10	FECE	
COC(=O)c1ccc(O)c([C@@H](C)NCC2C[C@@H]3CC[C@H](C2)S3(=O)=O)c1	872118866	KMTITEQWTROMSP-IKKMQULASA-N	367.467	2.185	10	10	FECE	
Cc1ccc(-n2nnc(CC(=O)NCc3ccc(O)c(O)c3)c2C)cc1	778916273	AIWASPUSIORHPS-UHFFFAOYSA-N	352.394	2.154	10	10	FECE	
CCn1cc(Br)c(=O)c(NC(=O)c2cccc(O)c2O)c1	790919369	NFAMNECQEJSRME-UHFFFAOYSA-N	353.172	2.294	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[C@H]1F	1301100357	LTKDUXATFCJDOD-CHWSQXEVSA-N	368.405	2.104	10	10	FECE	
C[C@H](NC(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@H]1CN(C)CCN1C	1313427180	XMSPCPJFZHWJEO-FXAWDEMLSA-N	373.545	2.063	10	10	FECE	
Cc1ccc(N2C[C@H](C(=O)NCc3cc(O)ccc3O)CC2=O)cc1F	1176739927	XQTBICWKINWVGL-CYBMUJFWSA-N	358.369	2.215	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)c3ccc4nnn(C)c4c3)CC2)cc1	1320114489	ZGPPJPGDTOTPEK-UHFFFAOYSA-N	365.437	2.329	10	10	FECE	
O=C(NC[C@H](CO)CC1CCOCC1)c1cc2cc(O)c(O)cc2s1	1331664506	GMELRIHSFCFGJD-GFCCVEGCSA-N	365.451	2.468	10	10	FECE	
C[C@@H]1COCC[C@H]1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	1261118808	BILMXEUXNOWBDZ-RHSMWYFYSA-N	372.421	2.055	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC(O)(c3nccn3C)C2)cc1	1347502829	JBYUUQJNVTWQPI-UHFFFAOYSA-N	350.422	2.171	10	10	FECE	
CCOc1cccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1O	2116269134	LVUOWKGSCQDQJS-CABCVRRESA-N	366.458	2.251	10	10	FECE	
CCC[C@H](O)[C@H](CO)NC(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2	1299167002	QMBKRZQFFDMWOB-PXNSSMCTSA-N	374.481	2.167	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C(=O)N2CCC(CN=[N+]=[N-])CC2)CO1	2124505089	HJOMQMBYVRFLTP-ZIAGYGMSSA-N	367.450	2.465	10	10	FECE	
CS(=O)(=O)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1Cl	1585075471	SJSOJUHTRFEFFI-UHFFFAOYSA-N	355.799	2.336	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCC2(CN=[N+]=[N-])CC2)OCC12CC2	2127541972	GTNQVKMHRVXKOZ-LBPRGKRZSA-N	365.434	2.362	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCC[C@H](N=[N+]=[N-])C2)OCC12CC2	2127546104	WWHISYQNIUJRNH-STQMWFEESA-N	365.434	2.456	10	10	FECE	
CC(C)[C@@H]1CN(C)CCN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1	153714904	OVBIUSPSURUWQC-ZGBFETHSSA-N	357.498	2.335	10	10	FECE	
Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCCSc1nccs1	154378851	FNBSJXIOMRYABP-LLVKDONJSA-N	352.489	2.360	10	10	FECE	
Cc1cnc(C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)cn1	1866000996	UKPIIIGXBMGHFO-QGZVFWFLSA-N	350.426	2.104	10	10	FECE	
C[C@@H](NC(=O)[C@@H]1COCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O	827955568	BBGBHUCZMGIKPZ-KGLIPLIRSA-N	364.442	2.453	10	10	FECE	
COc1ccc(CNC[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)c(O)c1	2136618203	UMZOVJNVELWOGN-LJQANCHMSA-N	366.458	2.252	10	10	FECE	
CN(CCc1nc(=NCc2ccc(F)cc2O)[nH][nH]1)C(=O)OC(C)(C)C	2139881883	MQTZYDRLJVZWID-UHFFFAOYSA-N	365.409	2.093	10	10	FECE	
COc1ccc(O)c([C@@H](C)NCC2(CO)CN(C(=O)OC(C)(C)C)C2)c1	2137077973	OEFRPRDZLOBEDS-CYBMUJFWSA-N	366.458	2.281	10	10	FECE	
CC(C)(C)OC(=O)NCc1nc(C(=O)C(=O)C[C@H]2C[C@H](N)C2)cs1	2003170285	PNMSOFGIXHGHLS-MGCOHNPYSA-N	353.444	2.047	10	10	FECE	
O=C1NC[C@H]2CN(Cc3cc(Cl)cc(Br)c3O)CC[C@H]12	2157178816	NHBLRIQMYZJLFZ-ONGXEEELSA-N	359.651	2.376	10	10	FECE	
CNCc1ccc(N(C)CC2(S(C)(=O)=O)CC2)cc1Br	2167831022	OEFRCGLNXBGFBD-UHFFFAOYSA-N	361.305	2.182	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CC[S@@](=O)(=NCc2cc(N)ccc2O)C1	2044674042	CEPXLXFHYIQGKI-YDBLSZJJSA-N	369.487	2.487	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1ccc(O)c(O)c1	2054397758	LTQVKGRPLNZWKS-DGCLKSJQSA-N	350.415	2.473	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)CCOC1	2060640523	WHEMQZULOQZPQY-LRDDRELGSA-N	353.423	2.219	10	10	FECE	
COCC[C@]1(C(=O)N2CC(N=[N+]=[N-])C2)CCN(C(=O)OC(C)(C)C)C1	2082285603	PJXFDENFZQFUQU-MRXNPFEDSA-N	353.423	2.171	10	10	FECE	
COC(=O)[C@H](CCNCc1ccc(C)cc1O)NC(=O)OC(C)(C)C	2084073532	KSWSDCRMZNSLGO-AWEZNQCLSA-N	352.431	2.247	10	10	FECE	
COCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(C)c1O	2084063153	KWNULFHTCXDLDV-AWEZNQCLSA-N	352.431	2.247	10	10	FECE	
CCOC(=O)[C@@](N)(CSc1nccs1)C1(Br)CC1	2085659471	LFLMAULTQOZXHG-NSHDSACASA-N	351.291	2.423	10	10	FECE	
CN1CCCc2cc([C@H](N)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)ccc21	2106948400	PXJJFXJJFNXPSA-PXNSSMCTSA-N	361.486	2.441	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)[C@@H]1C1CC1	2253728051	IQFRHPNLMHGJMY-MEWXFMAXSA-N	350.459	2.288	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCN([C@@H]4C[C@H]5CC[C@H]4C5)CC3)cc2N1	301675899	HKFZOKFVHBMFHW-KCQAQPDRSA-N	372.425	2.236	10	10	FECE	
C[C@H](C(=O)O)N(Cc1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	2367677721	MALOPJMMZJSKQG-LLVKDONJSA-N	371.349	2.405	10	10	FECE	
CCCNC(=O)CN1CCC(NCc2cc(Cl)c(F)cc2O)CC1	293799844	BWKUCRMJVLPFCY-UHFFFAOYSA-N	357.857	2.265	10	10	FECE	
CN(CCC(=O)Nc1ccc(N)cc1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21	2163030704	WPQOTTJAYGLULR-VQFNDLOPSA-N	374.485	2.395	10	10	FECE	
Cc1csc([C@H](C)NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)n1	804502337	PVOAZDAARHAQGJ-ZDUSSCGKSA-N	360.483	2.320	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)[C@@H]3CC[C@H]4C[C@@H]4C3)CC2)cc1	817524073	NMOQLPXCVUJUTR-RCCFBDPRSA-N	357.498	2.370	10	10	FECE	
COC(=O)c1cnc(SCC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)s1	829684080	GXBZLXOCBJRCOG-SECBINFHSA-N	366.468	2.250	10	10	FECE	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H](O)C1CCC1	827311286	XYJOOEGVKZQGKJ-NVXWUHKLSA-N	352.862	2.287	10	10	FECE	
C[C@H](NC(=O)Cc1cn2c(n1)CCCC2)c1ccc(N2CCOCC2)cc1	845297609	BYQFYIPQNAYVAL-INIZCTEOSA-N	368.481	2.476	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=S)Nc3ccc(C(N)=O)cc3)C2)cc1	849270542	IBVMIHZGNLAMST-HNNXBMFYSA-N	370.478	2.359	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2nc3c(s2)COCC3)c1	927690021	SZETUOKVSUBQDM-SNVBAGLBSA-N	363.439	2.490	10	10	FECE	
CCOC(=O)[C@@]1(F)CN(C(=O)/C=C\c2ccc(O)c(O)c2)C[C@@H]1CC	924486444	BKBIZTGMUVROHR-YVOPTCOOSA-N	351.374	2.251	10	10	FECE	
CC[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1C)[C@@H]1CCCCO1	848933690	FMCHQKIZKFSQCB-ROUUACIJSA-N	361.486	2.141	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@H](C4CCC4)C3)C2)cc1	852449453	TYBHNHXMZYYMOY-LPHOPBHVSA-N	359.470	2.484	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCO[C@@](C)(C4CC4)C3)C2)cc1	852449658	VNOFDDPCUAWOAR-OXQOHEQNSA-N	359.470	2.484	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc([S@@](C)=O)cc3)C2)cc1	855229831	RLQKMFGCNACYHC-ODCWNRFASA-N	358.463	2.441	10	10	FECE	
COc1cc(C)cc(CN2C[C@@H]3COC[C@]3(C(=O)OC(C)(C)C)C2)c1O	853552164	XMRARHCYAUWQSD-FOIQADDNSA-N	363.454	2.499	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3cccc(Cl)n3)C2)cc1	850537606	SIBATGHEXUJSIM-LBPRGKRZSA-N	374.828	2.077	10	10	FECE	
COC1(CS(=O)(=O)NCc2cc(Br)ccc2O)CCC1	867265383	GVAZSMCYOXDATE-UHFFFAOYSA-N	364.261	2.143	10	10	FECE	
CO[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(O)cc1	765983954	WZHSQMPDSQVPIF-IBGZPJMESA-N	374.412	2.372	10	10	FECE	
COC(=O)c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1F	768563045	WOOZGLZCJNDZIA-UHFFFAOYSA-N	372.396	2.379	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[C@H](C(C)(C)C)[C@H](O)C1	779206545	LTYOZYGISWFRID-RBUKOAKNSA-N	361.530	2.440	10	10	FECE	
COCc1ccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)cc1	774613681	GGEIVWFBXDZHLU-UHFFFAOYSA-N	362.451	2.470	10	10	FECE	
COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1O	778914488	OLWAQLQONXXISG-QGZVFWFLSA-N	372.421	2.340	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CC[C@H]3CN(C)C[C@@H]32)cc1	1123801188	BRNWHSBWRLOZJU-ZYSHUDEJSA-N	360.502	2.113	10	10	FECE	
Cc1cc(Br)c(O)c(CN(CCO)C2CCN(C)CC2)c1	781899152	HTSQKHBIECGMJL-UHFFFAOYSA-N	357.292	2.352	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN(C)[C@H](C)CN2CCOCC2)c1O	788378280	PUPWDMNWOGSDTE-OAHLLOKOSA-N	372.465	2.485	10	10	FECE	
COC(=O)[C@@H]1[C@H](CNCc2ccc(N3CCSCC3)cc2)C1(F)F	894191961	SYKIMPYQHOJNCO-GJZGRUSLSA-N	356.438	2.384	10	10	FECE	
COC(=O)c1c(CN2CC[C@](O)(C(F)F)C2)c2cc(F)ccc2n1C	894888965	LQWIOTUYHJOBFN-QGZVFWFLSA-N	356.344	2.306	10	10	FECE	
Cc1cc(C(=O)CN(C)CCCO)c(C)n1-c1ccc2c(c1)OCCO2	799364466	HPDSLXRLRNFESS-UHFFFAOYSA-N	358.438	2.362	10	10	FECE	
C[C@@H](NC(=O)C(=O)NCCC1CC=CC1)c1ccc(N2CCOCC2)cc1	1335548025	WAQOHPBQDSVRGV-MRXNPFEDSA-N	371.481	2.173	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1	1297323324	STTKQEWQYTWXKQ-HDICACEKSA-N	352.434	2.231	10	10	FECE	
COc1cccc(CNC(=O)NCCc2c(F)cc(O)cc2F)c1O	1471433514	MKVHCKPWIBTTRU-UHFFFAOYSA-N	352.337	2.427	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)c3cnc(O)c([N+](=O)[O-])c3)CC2)cc1	1545931402	HTEOBUKZDUODFW-UHFFFAOYSA-N	372.381	2.057	10	10	FECE	
CCOC(=O)[C@H](c1cccnc1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1	1471821011	SOLKUBIYCGPAMQ-KOEDOTQGSA-N	356.378	2.269	10	10	FECE	
CCOc1cc(C(=O)NCc2cc(O)ccc2O)c([N+](=O)[O-])cc1OC	1637122274	CRVVPMBZHAMULZ-UHFFFAOYSA-N	362.338	2.343	10	10	FECE	
CC[C@H](CS(C)(=O)=O)NCc1cc(Br)cc(F)c1O	1966013411	GWCPUBXIWOBFDH-SNVBAGLBSA-N	354.241	2.207	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1	2132413825	QPBZTINJNYZICM-PWSUYJOCSA-N	366.414	2.179	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2cc(O)c(O)c(O)c2)C1	2132393025	OZBKRWYYXCMRQG-NSHDSACASA-N	366.414	2.180	10	10	FECE	
COC(=O)C1(N(C)c2ccc(OC)cc2)CN(C(=O)OC(C)(C)C)C1	1848351356	WZGSPCBXEKFDOH-UHFFFAOYSA-N	350.415	2.294	10	10	FECE	
C[C@H](N=c1[nH]nc(CCNC(=O)OC(C)(C)C)o1)c1cc(O)ccc1O	2138818952	RXSYAADKVRSWMI-JTQLQIEISA-N	364.402	2.143	10	10	FECE	
CC(C)(C)ONC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136241397	YOBYXOHYRVYDCD-LBPRGKRZSA-N	368.430	2.380	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H]2CCCO2)c1O	2139762316	QNJUZTZUKYXLCH-CABCVRRESA-N	364.442	2.389	10	10	FECE	
COc1cc([C@@]2(NC(=O)OCc3ccccc3)C[C@@H]2C(=O)O)cc(O)c1O	1952888369	SDQBJRGXQFFRFN-YJYMSZOUSA-N	373.361	2.333	10	10	FECE	
CN(c1cc(Br)c(CN)cc1F)[C@@H]1CS(=O)(=O)C1(C)C	2153846071	QQMDJBOTNAPMBB-GFCCVEGCSA-N	365.268	2.059	10	10	FECE	
COc1cccc(CNCCN2CCN(C(=O)OC(C)(C)C)CC2)c1O	378883423	JNNFIWWCVOXKNP-UHFFFAOYSA-N	365.474	2.043	10	10	FECE	
C[C@H](N)c1ccc(N2CCC[C@@H](S(C)(=O)=O)C2)cc1Br	380669051	VTUCMKFTTYTGSF-CMPLNLGQSA-N	361.305	2.482	10	10	FECE	
[N-]=[N+]=NC[C@H]1CCCN(S(=O)(=O)N2CC(OCc3ccccc3)C2)C1	2043673084	NBZULKWLJAUSCL-OAHLLOKOSA-N	365.459	2.155	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)(C(=O)N2CC[C@H](N=[N+]=[N-])C2)C1	2060618015	UQUMULGHQQCYOF-BFQNTYOBSA-N	353.423	2.360	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)NCC2(CN=[N+]=[N-])CC2)CO1	2060608214	DYLNRBSRGDLUPI-RYUDHWBXSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)N2CCC[C@H](N=[N+]=[N-])C2)O1	2060633497	OKUILJNPXHNGOT-AVGNSLFASA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H](CC(=O)NCCCCN=[N+]=[N-])C1	2080209156	BLOYDPOWVYTJJT-CYBMUJFWSA-N	355.439	2.467	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@]12CCN(CC(=O)Nc1ccc(N)cc1)C2	2106758689	ZSIQONFLOANHHD-IBGZPJMESA-N	360.458	2.293	10	10	FECE	
CCOC[C@](O)(CNC(=O)OC(C)(C)C)[C@@H](N)c1ccc(N(C)C)cc1	2106858858	BPCRDISFUIHGIJ-QFBILLFUSA-N	367.490	2.045	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](NC(=O)Cc2ccc(N)cc2)C1	2219136912	ODVFLNYWZHBOJK-UKRRQHHQSA-N	351.422	2.275	10	10	FECE	
COc1ccc(N(CCO)CCCNC(=O)OC(C)(C)C)cc1OC	2255088339	BCBAXDKCOFEBPZ-UHFFFAOYSA-N	354.447	2.417	10	10	FECE	
CC(C)OC(=O)[C@@H]1CCCN1C(=O)C=Cc1ccc(N2CCOCC2)cc1	2297612089	JBRFWWQAYKDUEI-IBGZPJMESA-N	372.465	2.479	10	10	FECE	
CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)C=Cc1ccc(O)c(O)c1	2308000673	JGFMXPHVGBFSJX-UHFFFAOYSA-N	362.332	2.486	10	10	FECE	
CCc1ccc(C=C2SC(=S)N([C@H](C(=O)O)[C@H](C)O)C2=O)cc1	2323823925	YDCVDAVVJARLBD-ZANVPECISA-N	351.449	2.284	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@H]1COC2(CNC(=O)OC(C)(C)C)CC1C2	2319902746	ZRVPCKBHJOACIP-BGMSHATGSA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)NCc1c[nH]nc1NC(=O)COc1ccc(N)cc1	2352403560	YLJNOKXSTOPYHT-UHFFFAOYSA-N	361.402	2.034	10	10	FECE	
Cc1cc2n(n1)CCC(=O)N2CCCC(=O)NCc1ccc(N(C)C)cc1	20944212	LPKCHRJMYXTPJZ-UHFFFAOYSA-N	369.469	2.091	10	10	FECE	
C[C@H](OCC(F)(F)F)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	55524253	XKMJUXBSCDBWHD-NSHDSACASA-N	364.339	2.246	10	10	FECE	
CN1C(=O)C[C@@H](C(=O)NCc2ccc(O)c(O)c2)[C@H]1c1ccc(F)cc1	182516460	MZYFBDGCKHIITF-RDTXWAMCSA-N	358.369	2.073	10	10	FECE	
CS(=O)(=O)[C@@H]1CCC[C@@H]1NCc1ccc(N2CCSCC2)cc1	182494984	FCKUUDATZXUXCR-DLBZAZTESA-N	354.541	2.295	10	10	FECE	
CN1CCN(c2ccc(NC(=O)Nc3cc(O)c(O)c(O)c3)cc2)CC1	217278851	RWLFAWDDGBLFJI-UHFFFAOYSA-N	358.398	2.199	10	10	FECE	
COc1ccc(N2CCCN(C(=O)Cc3cccc(OC)n3)CC2)cc1	186990342	OVDNNORZEPHDGJ-UHFFFAOYSA-N	355.438	2.380	10	10	FECE	
Cc1ccc([C@@H](CNC(=O)c2cccc(O)c2O)N2CCOCC2)s1	193126962	UUBKHVASDLHJGV-CQSZACIVSA-N	362.451	2.271	10	10	FECE	
O=C(NS(=O)(=O)c1ccc(N=NN2CCOCC2)cc1)c1ccccc1	254602140	ZWEMMLZKFKDXCL-UHFFFAOYSA-N	374.422	2.136	10	10	FECE	
OCC1([C@@H](NCc2ccc(N3CCOCC3)cc2)[C@@H]2CCCO2)CCC1	367960150	XIIOTMICVUNNHV-PMACEKPBSA-N	360.498	2.323	10	10	FECE	
C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)CCOc1ccc(N)cc1	2162990525	XJXSABAKIQPYKO-WCQYABFASA-N	373.375	2.096	10	10	FECE	
O=C(NCCOCC(F)F)NCc1cc(Br)ccc1O	805329910	FEQPYCJUGJSMKJ-UHFFFAOYSA-N	353.163	2.236	10	10	FECE	
COc1cc(CC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccn1	823834651	LRTUQVJOLZKGDO-HNNXBMFYSA-N	355.438	2.347	10	10	FECE	
CCS(=O)(=O)c1ccccc1CC(=O)NCc1cc(OC)ccc1O	907059558	DTIWFUUOBPDTKP-UHFFFAOYSA-N	363.435	2.053	10	10	FECE	
CN(C[C@H]1CCCO1)C(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	839213106	SXURKPPUXDBOCE-MRXNPFEDSA-N	372.421	2.151	10	10	FECE	
COc1cc2c(c(OC)c1)N(CC(=O)NC1CCN(C3CC3)CC1)CCC2	839656489	NLAYPDSDDLFZDP-UHFFFAOYSA-N	373.497	2.199	10	10	FECE	
O=C(N[C@@H]1CC[C@@H]2C[C@H]2C1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	842519198	XVJBLMWCLBCTSU-BZZMCLGOSA-N	372.465	2.205	10	10	FECE	
CCO[C@@H]1C[C@@H](N2C(=O)CN(Cc3ccccc3O)C2=O)[C@@H]1SC	843315314	XCDHMFKLGPSVDQ-XPKDYRNWSA-N	350.440	2.065	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)NCc2cccc(OC)n2)cc1	844934902	BLRBANPHUAINTO-UHFFFAOYSA-N	358.442	2.377	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNc3cc(CO)c(F)cn3)cc2)C1	853220493	ZSZHIXKAYSITFY-AWEZNQCLSA-N	358.417	2.027	10	10	FECE	
COC(=O)CCNC(=O)CCN[C@@H](C)c1ccc(Cl)c(Cl)c1O	858542892	ZHEXMUOSJYVJRG-VIFPVBQESA-N	363.241	2.419	10	10	FECE	
Cc1c(C(=O)NCc2c(O)cccc2F)sc2nc3n(c(=O)c12)CCC3	928709592	JVPIXNXHNXTTDI-UHFFFAOYSA-N	373.409	2.487	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC3CCN(CC4CC4)CC3)C2)cc1	851964408	AKCBEYXPOLKUKO-GOSISDBHSA-N	372.513	2.448	10	10	FECE	
COc1cncc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1C	866213736	XCFSPEYTEZMBLF-UHFFFAOYSA-N	373.428	2.429	10	10	FECE	
C[C@@H](O)CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	769033757	MOOOQAQRAAVCDO-MGPQQGTHSA-N	353.438	2.009	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)[C@]3(CC(C)C)CCNC3=O)C2)cc1	868955570	BZYLMRGMGYJPQX-IERDGZPVSA-N	373.497	2.190	10	10	FECE	
CCCC[C@@H](NC(=O)NCC)C(=O)NCc1ccc2cccnc2c1O	862027406	RAGBPSXYVWWQLH-OAHLLOKOSA-N	358.442	2.435	10	10	FECE	
CN1CCN(c2ccc(CNC[C@H]3CC4(CCOCC4)CO3)cc2)CC1	865779722	LYUVZWZCJKPODQ-HXUWFJFHSA-N	359.514	2.114	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@@H]1C[C@@]12CCOC2	763550662	PHQMHBUICBDUSY-RBBKRZOGSA-N	369.509	2.261	10	10	FECE	
CC(=O)OC(C)(C)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	779829548	RTMLWIWFAKUAOU-UHFFFAOYSA-N	373.497	2.177	10	10	FECE	
COCc1ccc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)o1	899471873	CDUGJEPVCLZNHI-UHFFFAOYSA-N	371.437	2.058	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(C)(C)c1cnn(C)c1	785084690	DXAQZSNSJWPCPX-UHFFFAOYSA-N	356.470	2.193	10	10	FECE	
Cc1nc[nH]c1CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	1136310999	CMIPVSAKEQBJGV-STQMWFEESA-N	360.433	2.330	10	10	FECE	
COc1cccc(O)c1C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1	1136881548	UFMQCKFIXWWTPR-UHFFFAOYSA-N	369.421	2.355	10	10	FECE	
CO[C@H]1C[C@@H](C(=O)O)N(Cc2cc(Cl)cc(Br)c2O)C1	1964719622	XQQVVBGYUXAFIN-ONGXEEELSA-N	364.623	2.482	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)NC[C@@]3(O)CCCC3(C)C)cc2)CC1	1313211213	CLVGVTNTUFBSOK-NRFANRHFSA-N	374.529	2.179	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H]3CCOCC34CCCC4)nc12	1198752276	JFZHCQHMLFYTOF-OAHLLOKOSA-N	374.441	2.051	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CC(O)(c2nccn2C)C1	1350268187	ZVRARQBLOBEFHE-UHFFFAOYSA-N	356.451	2.233	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC[C@H]2c2ccc(F)cc2)c1	1453034616	XNSFCXDGPQLMLV-HNNXBMFYSA-N	364.398	2.490	10	10	FECE	
COc1ccc(N2CCCN(c3nnc(C)n3CC(C)(C)O)CC2)cc1	1554958752	FPGYEOLGAAJJLP-UHFFFAOYSA-N	359.474	2.083	10	10	FECE	
O=C(C[C@@H]1Oc2ccccc2NC1=O)NCc1ccc2cccnc2c1O	1627069595	QBQOHPZYRAMDPW-INIZCTEOSA-N	363.373	2.346	10	10	FECE	
COc1ccc2c(c1)N(C)/C(=C1\SC(=S)N(NC(C)=O)C1=O)S2	3208393	WWXPNMMWQNFNST-ACCUITESSA-N	367.477	2.318	10	10	FECE	
Cc1nnc(N2CCOC[C@H]2C)n1Cc1ccc(N2CCSCC2)cc1	1492958461	TYFKOPTYVXPZAK-OAHLLOKOSA-N	373.526	2.413	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(-n2ccnc2O)c1	1567467564	MCBPIPNIDUVJIU-LBPRGKRZSA-N	353.378	2.350	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)c1cc(S(C)(=O)=O)ccc1N	1588183236	BNUANFPDBCECID-UHFFFAOYSA-N	362.451	2.430	10	10	FECE	
COc1ccc([C@@H](C)N=c2nc(CNC(=O)OC(C)(C)C)[nH][nH]2)c(O)c1	2126785548	MQAPKQFFGTUMTD-SNVBAGLBSA-N	363.418	2.139	10	10	FECE	
COCCO[C@H]1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1	1772923940	GBBZYMODEBWGMT-SDQPKGBYSA-N	350.371	2.023	10	10	FECE	
C[C@@H](C(=O)N1CCC[C@H](CN=[N+]=[N-])C1)N1CC(NC(=O)OC(C)(C)C)C1	2131756719	KVMSWMJIEYPHCQ-QWHCGFSZSA-N	366.466	2.133	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)c1nc(=N[C@H](C)c2ccc(O)cc2O)[nH][nH]1	2130118658	GTQJZKLCVWUIQD-ZJUUUORDSA-N	363.418	2.397	10	10	FECE	
CN(C)c1ccc(CNC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)cc1	394444959	GJOLFTUSBOJCRP-GOSISDBHSA-N	362.518	2.393	10	10	FECE	
CN(C)c1ccc([C@H](N)c2nn(C)cc2I)cc1	2057526790	BFXRZXUJPCLQPV-LBPRGKRZSA-N	356.211	2.139	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2060634716	CSGHUANXEOFWAB-CHWSQXEVSA-N	355.439	2.201	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2060640649	XEEGEKBYEYMQIT-QWHCGFSZSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CC(=O)O)(NCc2ccc3c(c2)CCO3)C1	2104274485	YDLOQHJBSKASQE-UHFFFAOYSA-N	362.426	2.175	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](CO)(NCc2ccc(F)cc2O)C1	2084167986	HSGDMULMCNNFAT-GOSISDBHSA-N	354.422	2.383	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)COc1ccc(N)cc1	2106233534	PIRCRZQWVYENPX-CZUORRHYSA-N	363.458	2.409	10	10	FECE	
C[C@H](NC(=O)COc1ccc(N)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1	2106268635	OIELINKYRMIPMA-KBPBESRZSA-N	363.458	2.409	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]12CC[C@@H]1CN(C(=O)COc1ccc(N)cc1)C2	2106696902	MKEJVVBMYHZGKU-BFUOFWGJSA-N	361.442	2.163	10	10	FECE	
C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)CCc1ccc(N)cc1	2106703771	UCYPWTYXDKXNJK-BXUZGUMPSA-N	357.376	2.259	10	10	FECE	
COc1ccc(N2CCN(C3CN(C(=O)OC(C)(C)C)C3)CC2)c(N)c1	2106810467	SJTARQCDPZIEAB-UHFFFAOYSA-N	362.474	2.019	10	10	FECE	
O=C(O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccccc2)SC1=S	2293175952	DTPSNZKCDHPUJR-JTQLQIEISA-N	351.405	2.206	10	10	FECE	
O=C(CCCN1C(=O)C(=Cc2ccco2)SC1=S)N1CCOCC1	2296885409	SZMGNSIESQMZNZ-UHFFFAOYSA-N	366.464	2.120	10	10	FECE	
Cc1cc(C=CC(=O)N2CCN3C(=O)NC[C@@H]3C2)c(C)n1-c1ccccc1	2297812397	OCKZBRTUEQEXEQ-LJQANCHMSA-N	364.449	2.343	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)NCc1ccc(Cn2cncn2)cc1	2307987577	UWGQFXBOTCVBGR-UHFFFAOYSA-N	350.378	2.067	10	10	FECE	
CC(=O)Oc1ccccc1C=C1SC(=S)N([C@H](C)C(=O)O)C1=O	2314842295	MPQRQLJWHHTGDK-MRVPVSSYSA-N	351.405	2.286	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CCF)C(=O)N1CCc2cc(O)c(O)cc2C1	2341195727	IVASQWSKJBNLHS-CYBMUJFWSA-N	368.405	2.235	10	10	FECE	
Cc1cc(C(=O)N2C[C@@H](N3CCOCC3)[C@H](C)C2)c(C)n1-c1ccccn1	173806528	PBJJFDWGMKNUJP-DNVCBOLYSA-N	368.481	2.282	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCO[C@@H](c3cccc(O)c3)C2)cc1	121627356	NMXSDKBFHWCSSR-HXUWFJFHSA-N	369.465	2.148	10	10	FECE	
CN(CC(C)(C)S(C)(=O)=O)C(=O)NCc1ccc(N2CC=CC2)cc1	129622169	PDFJSYHARHGOPA-UHFFFAOYSA-N	365.499	2.027	10	10	FECE	
CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)c1cccc(O)c1O	193126927	VNPZEXZJVCVUCS-AWEZNQCLSA-N	362.451	2.305	10	10	FECE	
CCn1ncc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)n1	529591228	NFLNYLQPYYFPRM-UHFFFAOYSA-N	355.442	2.446	10	10	FECE	
CC[C@H](C)NC(=O)c1cnc(N2CCN(c3ccc(OC)cc3)CC2)cn1	242928877	GYELYOWTNOJURH-HNNXBMFYSA-N	369.469	2.340	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(S(C)(=O)=O)c(C)o2)c1	528858317	CCDDCMGLAGIMJQ-SECBINFHSA-N	353.396	2.197	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)Nc1cccc2c1C(=O)NC2	255308606	JYLINLGDCMJXBV-TWGQIWQCSA-N	363.417	2.419	10	10	FECE	
COc1ccc(N2CCN(CCCNc3cc(CO)c(F)cn3)CC2)cc1	809343510	HPEHYSQJWRQSFO-UHFFFAOYSA-N	374.460	2.346	10	10	FECE	
O=S(=O)(c1ccccc1)N1CC[C@H](NCc2ccc3c(c2)CCO3)C1	808433974	UDFLSTALPUDSAW-KRWDZBQOSA-N	358.463	2.174	10	10	FECE	
CCOc1ccc(CN2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c(O)c1	826894540	QRZSZGZZUSERBD-JSGCOSHPSA-N	367.389	2.198	10	10	FECE	
CCN1CCN([C@@H](C)CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1	900686687	ODFINKHTCZIKEA-LBPRGKRZSA-N	363.483	2.068	10	10	FECE	
C[C@H]1CCCN(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)C1	917912257	OHERYMYNNXKRAI-HNNXBMFYSA-N	369.556	2.306	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3oc(C(=O)O)cc3C)CC2)c(OC)c1	911166860	VDLUZIOETNYHFQ-UHFFFAOYSA-N	374.393	2.266	10	10	FECE	
CN(C)CCOc1ccccc1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	844162723	NHRNJKLXBPSKLO-LJQANCHMSA-N	370.497	2.123	10	10	FECE	
C[C@H](C(=O)N1Cc2cccc(O)c2C1)[C@H](O)CN(C)C(=O)OC(C)(C)C	913726017	GCFPFHJCYSWYGB-BLLLJJGKSA-N	364.442	2.098	10	10	FECE	
COc1ccc(N(CC(=O)O)CC(=O)Nc2ccc3c(c2)CCC3=O)cc1	853008337	OFBUXFPIFALRFF-UHFFFAOYSA-N	368.389	2.354	10	10	FECE	
COC(=O)[C@@H]1CCN(S(=O)(=O)c2cccc3nonc23)c2ccccc21	758419051	VXEMLVSCQPVSAJ-GFCCVEGCSA-N	373.390	2.078	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C4CCC4)CC3)C2)cc1	854300902	CVRNPVQTVQYFDU-INIZCTEOSA-N	358.486	2.154	10	10	FECE	
CS(=O)(=O)N1CCc2c(NC(=O)N3Cc4cccc(O)c4C3)cccc21	930823626	QKXLWCJEYBQWCU-UHFFFAOYSA-N	373.434	2.262	10	10	FECE	
COc1ccc(N2CCN(c3ccc(N4CCCC4)nn3)CC2)c(OC)c1	866139061	SZNUCIXZTVNDBB-UHFFFAOYSA-N	369.469	2.421	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@H]4CC[C@@]4(N)C3)ccc(N)c2C1	1876189796	WHJMKBGRLXFALL-ZUOKHONESA-N	358.486	2.490	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@]3(C2)CC3(F)F)cc1F	1118349580	KFGULAMBBZRPTC-QGZVFWFLSA-N	369.387	2.156	10	10	FECE	
C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc2cc(O)c(O)cc2s1	897494931	UGILDFPUNLBRSF-NSHDSACASA-N	364.467	2.230	10	10	FECE	
CC(C)(C)OC(=O)NC1(C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)CC(CO)C1	1879575910	LZECJFWRBRZFKS-POZPTJLLSA-N	367.450	2.201	10	10	FECE	
CCn1nc(C(=O)NCc2ccc(OC)cc2O)c(=O)c2ccccc21	794377083	MBJGTWNXLPNYND-UHFFFAOYSA-N	353.378	2.061	10	10	FECE	
Cc1cn2nnc(C(=O)NCc3ccc(N4CCCCC4)cc3)c2c(O)n1	1142844707	WXRVJPHSEDWEKG-UHFFFAOYSA-N	366.425	2.059	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3C[C@@H]4CC[C@H]3N4)cc2F)C[C@@H](C)O1	1341658178	FXAVAQAIATVEGC-DZGGMBSHSA-N	361.461	2.196	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1cc(F)c(N2CCOCC2)cc1F	1157108292	VLQZUCRGTCAZOY-UHFFFAOYSA-N	364.348	2.394	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@@H]1CCCN1C(=O)Nc1ccccc1	1304053114	CSEWJPZKIPHPEE-HNNXBMFYSA-N	355.394	2.411	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1	1304053673	QOPAIUUYBPOORZ-UHFFFAOYSA-N	354.322	2.122	10	10	FECE	
Cc1cncc([C@@H]2CCCN2C(=O)C(=O)N(C)Cc2ccccc2O)c1	1329931010	CFDXAKXMARRUTO-KRWDZBQOSA-N	353.422	2.418	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)N3CC(F)(F)C(F)(F)C3)cc2)CC1	1254715890	BVZWOQCJJHXZGI-UHFFFAOYSA-N	374.382	2.234	10	10	FECE	
Nc1ccc(CCNC(=O)C(=O)N2C[C@@H]3[C@@H](C[C@H]3c3ccccc3)C2)cc1	1348333500	NRNLDCKLBGBHDN-YSIASYRMSA-N	363.461	2.190	10	10	FECE	
COC[C@H](Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1O)OC	1504589540	PUZQQFHFKHPFAM-INIZCTEOSA-N	360.458	2.234	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc(CN(C)C)o3)CC2)c(OC)c1	1470857828	DNTBVBLCDHCMBY-UHFFFAOYSA-N	373.453	2.321	10	10	FECE	
CCN(C(=O)NCCc1c(C)n2c3c(cccc13)CCC2)[C@@H]1COC[C@H]1O	1616106331	SHCYARMVZIPIQP-RTBURBONSA-N	371.481	2.230	10	10	FECE	
C=CCNC(=O)Cn1c(C2CCC2)nnc1N(C)Cc1ccccc1O	1705901105	AKKRYTAGGJJNGQ-UHFFFAOYSA-N	355.442	2.190	10	10	FECE	
COCc1nc(NC(=O)/C=C\c2ccc(O)c(O)c2)sc1C(=O)OC	1627332963	LNEFMAUXNUOPBT-XQRVVYSFSA-N	364.379	2.139	10	10	FECE	
COC(=O)[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)Cc1ccncc1	1565634005	FMCPFLLIGZCLHN-AWEZNQCLSA-N	369.381	2.006	10	10	FECE	
Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)Cc1ccc(O)c(O)c1	1584443216	LTUSCTDXAWHSML-HNNXBMFYSA-N	372.446	2.489	10	10	FECE	
CCc1cc(NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n2ncnc2n1	1652310225	RYCCJRJNVYSWMX-QGZVFWFLSA-N	353.474	2.468	10	10	FECE	
O=C([C@@H]1CCCn2ncnc21)N(Cc1ccccc1O)C[C@H]1CCCO1	1597090323	WFONLJKXBTYLJB-HZPDHXFCSA-N	356.426	2.069	10	10	FECE	
CS(=O)(=O)C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1	154936782	YUPQHENNODYXFF-HXUWFJFHSA-N	374.506	2.399	10	10	FECE	
CCN[C@@H]1C(=O)Nc2cc(N(CC(=O)N(C)C)Cc3ccccc3)ccc21	2152240377	MEFGUHWIRBNVDV-FQEVSTJZSA-N	366.465	2.384	10	10	FECE	
O=S(=O)(Nc1ccc(O)cc1)c1cc(CO)ccc1Br	2157796332	VOTRXAAKKRZWSX-UHFFFAOYSA-N	358.213	2.448	10	10	FECE	
CN(C(=O)CN1CC2(CC(NC(=O)OC(C)(C)C)C2)C1)c1ccc(N)cc1	2163030220	SBQCJLHCCWQOGS-UHFFFAOYSA-N	374.485	2.221	10	10	FECE	
CC1(C)C[C@H](S(C)(=O)=O)CN1c1ccc(CN)c(Br)c1	2179920153	ONKSLTVMEHAERS-LBPRGKRZSA-N	361.305	2.310	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1	2044243944	OJRFSUJWFYKKPO-CABCVRRESA-N	369.487	2.134	10	10	FECE	
CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)N1CCC(CN=[N+]=[N-])CC1	2060639655	KMQVCNFHQRIZAW-GFCCVEGCSA-N	355.439	2.200	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CO1	2060610053	CSEKHLMVFLYJAR-AGIUHOORSA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)NCC1(CNC(=O)COc2ccc(N)cc2)CCC1	2106257520	LEPASBQLMWXQGP-UHFFFAOYSA-N	363.458	2.459	10	10	FECE	
COCC1(NC(=O)OC(C)(C)C)CC(NC(=O)Nc2ccc(N)cc2)C1	2106281469	ACPMTUVSLDURMU-UHFFFAOYSA-N	364.446	2.463	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@]12CCN(C(=O)COc1ccc(N)cc1)C2	2106726699	BNHHJGTZIRHMOQ-LJQANCHMSA-N	361.442	2.260	10	10	FECE	
CCN1CCc2cc([C@@H](N)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)ccc21	2106849536	XFLWFEBILYSOSK-XLIONFOSSA-N	361.486	2.441	10	10	FECE	
COc1ccc(N(C)CC2(O)CN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1	2271711414	ASDIVSSZBRWZPN-UHFFFAOYSA-N	367.402	2.021	10	10	FECE	
Cc1cccc(CNC(=O)[C@H]2CC[C@H](O)CN2C(=O)OC(C)(C)C)c1O	2264612673	RJKGKYGRYJMRNO-LSDHHAIUSA-N	364.442	2.077	10	10	FECE	
COc1ccc(Br)c(CN2CCNCC(F)(F)C2)c1O	1211341799	MRSDERKYIKCAMH-UHFFFAOYSA-N	351.191	2.204	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)[C@@](C)(NCc1ccc2c(c1)CCO2)C(=O)O	2351448308	DHLKSFUFTCPJLD-CWTRNNRKSA-N	364.442	2.468	10	10	FECE	
CCC[C@@H](C(=O)O)N1C(=O)/C(=C2\C(=O)Nc3ccccc32)SC1=S	103039785	MTRYWBAIIMGWGI-IUZMTQGWSA-N	362.432	2.463	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](C(=O)N2CCc3cc(O)c(O)cc3C2)C1	2366906527	RNQMIKVRNACOLI-HIFRSBDPSA-N	374.437	2.452	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H](C)[C@H]3CCCO3)CC2)cc1F	84852749	XBNZCLJUFGOCKE-XJKSGUPXSA-N	351.422	2.233	10	10	FECE	
CCOC(=O)CC1=NNC(=O)/C1=C\Nc1ccc(Br)cc1	40177416	PGWLIJMWDLRUCE-FLIBITNWSA-N	352.188	2.184	10	10	FECE	
C[S@](=O)c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1	192723033	VVFBLBZJDIKJML-NRFANRHFSA-N	353.450	2.230	10	10	FECE	
CCN(CC)CC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92126128	WSAJYKOMUSMJMR-UHFFFAOYSA-N	358.530	2.177	10	10	FECE	
CCN(CC)C(=O)c1ccc(N2CCN(c3ccc(OC)cc3)CC2)nn1	244218617	VYMRLYAHAUPJSG-UHFFFAOYSA-N	369.469	2.294	10	10	FECE	
CCCCNC(=O)c1cnc(N2CCN(c3ccc(OC)cc3)CC2)nc1	243105325	JDJFSSAURDZYAO-UHFFFAOYSA-N	369.469	2.342	10	10	FECE	
Cc1ccc(CNC(=O)[C@H](CN)C(F)(F)F)c(O)c1Br	2381142495	LCIUJFKRWUGMNO-QMMMGPOBSA-N	355.154	2.217	10	10	FECE	
CN(CC(=O)NCc1cc(Br)ccc1O)[C@@H]1CCSC1	804737427	QUVYJZZQSQYRSV-GFCCVEGCSA-N	359.289	2.208	10	10	FECE	
O=[N+]([O-])c1cc(Br)cc([C@H](C(F)F)N2CCNCC2)c1O	575267893	TYOJHOSWBDHUFY-SNVBAGLBSA-N	366.162	2.274	10	10	FECE	
Cc1cc(C(=O)CN2CCO[C@@]3(CCOC3)C2)c(C)n1-c1ccc(F)cn1	828911444	PLNFXNNFPFUAEK-FQEVSTJZSA-N	373.428	2.302	10	10	FECE	
C[C@@H]1N(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CCC12CCOCC2	839354288	WRNKNLRQEQYCFN-INIZCTEOSA-N	373.497	2.129	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCN(C(=O)CN3CCCC3)CC2)cc1	835027443	MHOVOOJFOYLJEQ-WAYWQWQTSA-N	356.514	2.006	10	10	FECE	
CCO[C@@H]1CN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C[C@H]1CN	846144099	HYSLMZADLHEOTN-UYAOXDASSA-N	374.529	2.428	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H]3C[C@@H]3C3CCCC3)nc12	845347867	XWSAQOZFZCKLHS-KGLIPLIRSA-N	373.409	2.481	10	10	FECE	
COc1cccc(N(CC(=O)OCC(=O)C(C)=O)C(=O)OC(C)(C)C)c1	845268598	LILPPZJFMHORTP-UHFFFAOYSA-N	365.382	2.138	10	10	FECE	
O=C(NCc1c(O)cccc1F)[C@H](C[C@H]1COCCO1)C(F)(F)F	928713066	ZRYFXBWBSJSRLR-ONGXEEELSA-N	351.296	2.132	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CCc3c(C)nc(C)nc3O)C2)cc1	857302275	LMMUJZJUGOTMCM-OAHLLOKOSA-N	370.453	2.135	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CCCc4c3cnn4C)C2)cc1	851988434	NDGVRGHSZPIGCN-RDTXWAMCSA-N	369.469	2.384	10	10	FECE	
CCOC(=O)C[C@H](C)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	852232075	MMCIDCTXOZWYMH-LSDHHAIUSA-N	363.458	2.162	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCC3(C)CCN(C)CC3)C2)cc1	854298630	HFRCYUDONOZQTH-MRXNPFEDSA-N	360.502	2.305	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)NCc2cc(=O)c(O)cn2C)cc1	750010099	DLJVNBFFYPIRLC-UHFFFAOYSA-N	351.406	2.428	10	10	FECE	
Cc1cc(CC(=O)NCC(=O)N=S(C)(C)=O)c(C)n1-c1ccccc1	868948408	PHKMXPXXPQVWHE-UHFFFAOYSA-N	361.467	2.007	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCc3ccnc(F)c3)CC2)cc1F	868955367	KAQNXAKTVMZBSB-UHFFFAOYSA-N	362.380	2.400	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2C[C@H](CN)Cc3ccccc32)cc1	866719973	FVCUPBJSIZVGSP-KRWDZBQOSA-N	352.482	2.006	10	10	FECE	
CCCOc1cncc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1	862858090	OHXQARJGFMHFQM-UHFFFAOYSA-N	365.411	2.200	10	10	FECE	
COCCOc1ccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1	775289157	SSMWTYHEMSBKBW-UHFFFAOYSA-N	368.367	2.126	10	10	FECE	
CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(O)c2C1	871206304	ZEGKASHLZZCKGV-HNNXBMFYSA-N	363.458	2.079	10	10	FECE	
COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)N[C@@H](C)c3cc(OC)ccc3O)[C@@H]2C1	897719734	TWONOPNFLPCHEY-TVJKQAJBSA-N	362.426	2.349	10	10	FECE	
COc1cnccc1N1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1	792792142	JTSXKDGEWPMGFG-UHFFFAOYSA-N	369.469	2.188	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)NC1CN(C(=O)OCc2ccccc2)C1	1142062329	HGQDFECITHQHRU-VQHVLOKHSA-N	368.389	2.248	10	10	FECE	
C[C@@H](NC(=O)CCNC(=O)c1n[nH]c2ccccc12)c1ccccc1O	1171723706	YAXCTWVLQBAESR-GFCCVEGCSA-N	352.394	2.266	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@H](C)c1cncs1	1351482228	LLVIFDAZLSLUPH-UONOGXRCSA-N	374.510	2.442	10	10	FECE	
CC(=O)Nc1cnccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1472281549	ZHECQEGWBCIRQP-LJQANCHMSA-N	369.469	2.139	10	10	FECE	
CNC(=O)N[C@H]1CCN(C(=O)c2ccccc2-n2c(C)cc(C=O)c2C)C1	1556133081	ALJAUEGEPODGDN-INIZCTEOSA-N	368.437	2.050	10	10	FECE	
CC(=O)N1CCC(Cn2c(C)nnc2N(C)Cc2ccccc2O)CC1	1722759540	UOLSPGOXAGBORV-UHFFFAOYSA-N	357.458	2.187	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	1639288919	BILLEFLGQZKQLH-UHFFFAOYSA-N	354.322	2.122	10	10	FECE	
CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)NCc2c(O)cccc2F)C1	1635366662	GPVLWGPLSKVOKA-AWEZNQCLSA-N	356.369	2.353	10	10	FECE	
CN1CCCc2cc(CNC[C@](C)(CO)NC(=O)OC(C)(C)C)ccc21	2124716436	ZGPAXVSFAVPSMM-HXUWFJFHSA-N	363.502	2.434	10	10	FECE	
COc1ccc(C2(C(=O)NCc3cc(O)ccc3O)CCOCC2)cc1	1643879454	QCVYYNXZKMZDSL-UHFFFAOYSA-N	357.406	2.471	10	10	FECE	
C[C@H](NCCN1CCC(N(C)C)CC1)c1ccc(N2CCC(O)CC2)cc1	160158850	UYXIFLHUEJRORR-SFHVURJKSA-N	374.573	2.324	10	10	FECE	
COc1ccc(N2CCCN(C(=O)NCC[C@H](C)[S@](C)=O)CC2)cc1	166039748	HYMKBKFDXAFHMJ-ODCWNRFASA-N	367.515	2.074	10	10	FECE	
COC(=O)[C@H]1CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C[C@@H](C)O1	157634171	WSQHYOUVCVZFEN-CRAIPNDOSA-N	356.422	2.497	10	10	FECE	
Cn1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccc1=O	1861855895	VVIMSHNNSPOBQE-UHFFFAOYSA-N	358.353	2.413	10	10	FECE	
C[C@]12CCC(=O)N1[C@H](C(=O)NCc1ccc(N3CCCC3)cc1)CS2	28333236	HVRFVDXNJWCUES-LPHOPBHVSA-N	359.495	2.357	10	10	FECE	
COCc1nnc(NC(=O)CCNCc2cc(Cl)ccc2O)s1	1857876216	OLXHHOSVFAFQFP-UHFFFAOYSA-N	356.835	2.162	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](O)(CNC(=O)Nc2ccc(N)cc2)C1	2136619661	JSTATIGBWYCUHX-GOSISDBHSA-N	364.446	2.152	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@H]1CC(=O)CCO1	1951991742	BUCIRXCZGBNQQM-XJKSGUPXSA-N	351.399	2.282	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)C(=O)C[C@H]1C[C@H](N)C1)CC(F)(F)F	2003168723	WUXHDJTXEGTHLZ-MGCOHNPYSA-N	352.353	2.051	10	10	FECE	
Nc1ccc(OC[C@H](O)CN2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1	687241643	AOUSPQXJZZTIBV-QHAWAJNXSA-N	367.493	2.357	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@@H]1NCc1ccc(O)cc1O	387929676	LSGZQAGRCPSDOK-RKTXRCNFSA-N	364.442	2.258	10	10	FECE	
O=C(N[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)c1cc(O)c(O)c(O)c1	2188867607	DDRLJHVGVUPNHW-USXIJHARSA-N	368.433	2.444	10	10	FECE	
Cc1ccc(O)c(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2CO)c1	2052718034	VIGQHRHBFWSFTE-GOEBONIOSA-N	350.459	2.408	10	10	FECE	
Cc1cccc(O)c1CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO	2052724065	YODXCOUMOVEWAZ-GOEBONIOSA-N	350.459	2.408	10	10	FECE	
CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2060639371	HHZXOOUVGXHYMD-NEPJUHHUSA-N	355.439	2.200	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1	2060620145	WWJHSIVILIYSNI-OLZOCXBDSA-N	353.423	2.029	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CC[C@H](N=[N+]=[N-])C2)OC(C)(C)C1	2060639319	GQTIDPYTESMFDY-RYUDHWBXSA-N	353.423	2.312	10	10	FECE	
CN1CCc2cc([C@H](N)[C@@]3(O)CC[C@H](NC(=O)OC(C)(C)C)C3)ccc21	2106851488	UOLZPUAYDLFLRH-RIFZZMRRSA-N	361.486	2.487	10	10	FECE	
C[C@H](NCCc1ccc(O)c(O)c1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	2091761605	ZMHZBELHIVAVFG-GUYCJALGSA-N	366.458	2.254	10	10	FECE	
Cc1ccc(O)c(CNC2(C(N)=O)CCN(Cc3ccccc3)CC2)c1	2098248458	USBALXDMQNIZCW-UHFFFAOYSA-N	353.466	2.310	10	10	FECE	
C[C@H]1O[C@]2(C(=O)N(C)CCCN=[N+]=[N-])C[C@@]1(NC(=O)OC(C)(C)C)C2	2254797733	TVLHKOAQYKFPFJ-HFBAOOFYSA-N	353.423	2.360	10	10	FECE	
O=C1N=C(NS(=O)(=O)Cc2ccccc2)SC1=Cc1cccnc1	2297451626	LFQPWPDYEAQENG-UHFFFAOYSA-N	359.432	2.172	10	10	FECE	
COC[C@@]1(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C=CCN1C(=O)OC(C)(C)C	2336343311	QYHANSQEWRVKPX-CXAGYDPISA-N	365.434	2.480	10	10	FECE	
C[C@@H]1N(C(=O)OC(C)(C)C)C[C@]1(NCc1ccc(N(C)C)cc1)C(=O)O	2349140875	RXBJBRSEMLQHKC-ORAYPTAESA-N	363.458	2.305	10	10	FECE	
O=C1/C(=C/c2ccc(F)c(F)c2)SC(=S)N1CCN1CCOCC1	24989222	WWFOHEDQWJWXFR-UVTDQMKNSA-N	370.446	2.498	10	10	FECE	
CC[C@@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CCN1C[C@@H](C)O	174593156	BZXLFWVLVRATAZ-SJLPKXTDSA-N	370.497	2.406	10	10	FECE	
COc1ccc(N2CCN(Cc3cnc(N4CCOCC4)s3)CC2)cc1	179530087	JZVNVCNKHIJPDM-UHFFFAOYSA-N	374.510	2.311	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN[C@@H](C)c3nc(C)cs3)CC2)cc1	184214179	CHHVHDLLDJIFAE-HNNXBMFYSA-N	374.510	2.460	10	10	FECE	
O=[N+]([O-])c1cc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)ccc1O	133746272	AJYGLSMUMOWFCV-UHFFFAOYSA-N	360.351	2.287	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCC(C)(N3CCOCC3)CC2)c1O	528729531	SSQFYOOYXWMKCX-UHFFFAOYSA-N	350.434	2.421	10	10	FECE	
Cn1cc(/C=C\C(=O)N2CC(C)(C)c3c(Cl)cccc32)c(=O)n(C)c1=O	255637392	LWVTZNYWLJNAHG-HJWRWDBZSA-N	373.840	2.075	10	10	FECE	
C[C@@H]1CC[C@@]2(CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C2)C1	376873064	XEZJNYKTUMIFRU-SJKOYZFVSA-N	352.456	2.416	10	10	FECE	
c1cc(N2CCOCC2)ccc1Cn1cc(CO[C@@H]2CCCCO2)nn1	900605679	VGLQRMDKIDBUPJ-LJQANCHMSA-N	358.442	2.206	10	10	FECE	
Cc1ccncc1S(=O)(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	830200672	RHWKJZVJLXFBQY-OAHLLOKOSA-N	361.467	2.266	10	10	FECE	
COc1ccc(O)c([C@H](C)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)c1	842883739	NOSNZGHEJTVILN-GXTWGEPZSA-N	363.435	2.286	10	10	FECE	
C[C@]1(c2ccccc2)CCN(C(=O)C(=O)NCCc2ccc(N)cc2)C1	842235897	KVDVWNVXXIHBFQ-NRFANRHFSA-N	351.450	2.118	10	10	FECE	
C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCCc2cc(CN)ccc21	844219989	PYXDLWFQYNJZNG-AWEZNQCLSA-N	353.470	2.126	10	10	FECE	
CN1CCN(c2ccc(CN[C@@H]3CCCc4c3ccc(=O)n4C)cc2)CC1	846112721	XBXIUKLFVWHRAQ-HXUWFJFHSA-N	366.509	2.304	10	10	FECE	
CCOC(=O)[C@@]1(F)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H]1CC	924486441	BKBIZTGMUVROHR-WIRRBCGGSA-N	351.374	2.251	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C(C)C)N3CCCC3=O)C2)cc1	855229621	KPGPGRSIZMGQAY-DNVCBOLYSA-N	359.470	2.037	10	10	FECE	
COc1ccc(N2CC[C@H](NC3CCN(c4cnccn4)CC3)C2)cc1	850488889	PAOLDRIWSRQCML-KRWDZBQOSA-N	353.470	2.323	10	10	FECE	
COc1ccc(N2CCN(CCCN[C@@H]3C[C@H]4CC[C@@H](N4)[C@H]3C)CC2)cc1	925518849	KZNJJPJBTJKYGV-MCEIDBOGSA-N	372.557	2.326	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)NCc2nc(CN(C)C)cs2)c1	924769992	NGNKRSPSIFYQPA-NSHDSACASA-N	364.471	2.479	10	10	FECE	
CN(C)c1cc(F)c(CNC(c2ccnn2C)c2ccnn2C)cc1F	858323009	BUIXDWBZDKATTE-UHFFFAOYSA-N	360.412	2.377	10	10	FECE	
CCO[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(C)C	859734081	JPXNEDIQJGQMAF-GOSISDBHSA-N	352.450	2.464	10	10	FECE	
C[C@H](NC(=O)NC[C@@]1(O)C[C@H]2C=C[C@H]1C2)c1ccc(N2CCOCC2)cc1	853487576	RCLAUHGRWOLEFO-STHPQGGCSA-N	371.481	2.211	10	10	FECE	
COC(=O)[C@H](CF)NC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1	861728804	OQSUCMXMXUBITG-INIZCTEOSA-N	360.385	2.456	10	10	FECE	
CC(C)(C)OCCS(=O)(=O)NCc1cccc(Br)c1O	867195789	YHZZUEPMHSSRCX-UHFFFAOYSA-N	366.277	2.389	10	10	FECE	
COC(=O)[C@@H](NCc1cccc(OC)c1O)c1ccc(OC)cc1OC	779182136	SXCBNSXQECYSJQ-KRWDZBQOSA-N	361.394	2.422	10	10	FECE	
COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCCC3(C)C)CC2)cc1	778258930	XHSZBUMCMWZZCT-KTKRTIGZSA-N	371.481	2.301	10	10	FECE	
COC(=O)c1c(CN[C@H]2CCc3c[nH]nc3C2)c2cc(F)ccc2n1C	894330958	ZONRLDQEYWYYHD-ZDUSSCGKSA-N	356.401	2.474	10	10	FECE	
O=C(C1CN([C@@H]2CCOC2)C1)N(Cc1ccco1)Cc1ccccc1O	896421657	LDVFKASREIKKRY-QGZVFWFLSA-N	356.422	2.235	10	10	FECE	
CCN(CC)CC[C@@H](CO)NC(=O)c1cc(C)n(-c2ccccn2)c1C	798267778	LUHXVXIFYMYQNZ-KRWDZBQOSA-N	358.486	2.312	10	10	FECE	
Cc1nc(CN2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC2)oc1C	1143832164	QDZRXLORYHXPGJ-UHFFFAOYSA-N	370.413	2.412	10	10	FECE	
COc1cccc(CNC(=O)/C=C\c2ccc3c(c2)NC(=O)CO3)c1O	1150543321	LJKQIBHOIINYIV-VURMDHGXSA-N	354.362	2.061	10	10	FECE	
CCN(OC)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	1155992112	OKEIQIQNQKCXQI-UHFFFAOYSA-N	356.425	2.278	10	10	FECE	
O=C(NCCc1ccc(O)c(CO)c1)c1cc2cc(O)c(O)cc2s1	1153801581	CPJZLAUVEYQXCL-UHFFFAOYSA-N	359.403	2.483	10	10	FECE	
O=C(CCCNC(=O)c1ccc(F)cc1F)NCc1cc(O)ccc1O	1303223283	ISWHVGBVWKMYBW-UHFFFAOYSA-N	364.348	2.202	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)c3cnn4ccc(C)nc34)CC2)cc1	1319624601	RBCYXSZOSHXBFX-UHFFFAOYSA-N	365.437	2.399	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)NC[C@@]3(C)CC3(C)C)C2)cc1	1333881231	MQKMYCHZLXUUOA-YCRPNKLZSA-N	373.497	2.190	10	10	FECE	
C[C@H](NC(=O)c1cc(S(N)(=O)=O)oc1Cl)c1ccc(N(C)C)cc1	1296648471	LKCTYFPESUXMJU-VIFPVBQESA-N	371.846	2.137	10	10	FECE	
C[C@@H]1C[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1O	1612698137	CZISDNRBOBIOEM-YUELXQCFSA-N	355.442	2.227	10	10	FECE	
Cc1noc2ncnc(NCc3ccc(N4CCC(C(N)=O)CC4)cc3)c12	1612920551	YFBKMRWCFWRMKF-UHFFFAOYSA-N	366.425	2.240	10	10	FECE	
COc1cc(N2CCN(Cc3cscn3)CC2)c([N+](=O)[O-])cc1OC	1559081199	MXENZOCQKRMSLA-UHFFFAOYSA-N	364.427	2.391	10	10	FECE	
C[C@]1(C2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC2)COC(=O)N1	1644861347	ZRMDVNOYFYECMZ-QGZVFWFLSA-N	359.386	2.200	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCO[C@@H]1CCOC1	1597229223	WJAJQVMDUCQXLK-QGZVFWFLSA-N	356.422	2.442	10	10	FECE	
CN1C(=O)[C@@H](NC(=O)NCc2cccc(Cl)c2O)Cc2ccccc21	1683781503	BRMOCVFVIBNLNS-AWEZNQCLSA-N	359.813	2.433	10	10	FECE	
C[C@@H](CO)N(C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	152322006	JSCSJYXTACQUFT-QWHCGFSZSA-N	357.401	2.279	10	10	FECE	
COC(=O)[C@H](CC(C)C)NC(=O)/C=C\c1ccc(N2CCOCC2)cc1	209939093	IBXHNCCWGNEGAC-KKMIYCERSA-N	360.454	2.240	10	10	FECE	
C[C@@H](Oc1ccc(N)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1	1860079390	ZWILGQUTMOZJOG-OAHLLOKOSA-N	354.454	2.427	10	10	FECE	
Nc1ccc(OCCCN2CCC(NC(=O)c3ccnc(O)c3)CC2)cc1	586052357	LGYFWKSIFOYCAZ-UHFFFAOYSA-N	370.453	2.033	10	10	FECE	
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1	2132348087	DPWKUPOSTOLKBQ-CJNGLKHVSA-N	356.422	2.301	10	10	FECE	
C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1	2132399569	GRNBIPXWKXSQCG-ZYHUDNBSSA-N	366.414	2.179	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1CC(=O)N1CCC(CN=[N+]=[N-])CC1	2131404005	KXOABQUZQRWHKX-KBPBESRZSA-N	367.450	2.465	10	10	FECE	
CC[C@@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	2141292062	HODFKUHCJLSETH-YJYMSZOUSA-N	364.442	2.450	10	10	FECE	
COc1cc([C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O)cc(O)c1O	1951855867	NXANECWJGFAKTF-GHMZBOCLSA-N	353.371	2.142	10	10	FECE	
CCCN(Cc1ccccc1O)C[C@H](O)CN1C(=O)c2ccccc2C1=O	170779237	SSARAMXNEIAOAF-INIZCTEOSA-N	368.433	2.261	10	10	FECE	
CN(C[C@@H]1CCCCS1(=O)=O)c1ccc(CO)c(Br)c1	694072866	VLPPPPBKEQGQAI-ZDUSSCGKSA-N	362.289	2.345	10	10	FECE	
CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)[C@@H]2CC[C@H]21)c1ccc(N)cc1	2168384216	IOKKZJGCJUWTLH-IAGOWNOFSA-N	374.485	2.315	10	10	FECE	
CN1C(=O)O[C@@H]2CN(Cc3cc(Cl)cc(Br)c3O)C[C@@H]21	2176932312	FGBYKQHSBCQXAE-WDEREUQCSA-N	361.623	2.443	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)NCC1(CN=[N+]=[N-])CC1)[C@@H]1CCCO1	2060637934	QABGJRKWFXSDFU-RYUDHWBXSA-N	353.423	2.265	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)NCC2(CN=[N+]=[N-])CC2)CO1	2060610316	GJPWWWGXMKQKFH-RYUDHWBXSA-N	353.423	2.123	10	10	FECE	
CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060611087	OYIIGXXFXGGZKT-OLZOCXBDSA-N	354.455	2.133	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2073949849	KRKGLQMMDBWFKU-YNEHKIRRSA-N	353.423	2.360	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@]12C[C@](CNC(=O)OC(C)(C)C)(CO1)C2	2086119444	YBGDDZBNEGFMED-IYBDPMFKSA-N	353.423	2.219	10	10	FECE	
CN1CCc2cc([C@H](N)[C@@H]3[C@H]4OCCN(C(=O)OC(C)(C)C)[C@H]34)ccc21	2106854657	GHOQOFLUSFFVMN-WNRNVDISSA-N	359.470	2.313	10	10	FECE	
CCN(c1ccc(CO)c(Br)c1)[C@@H](C)CS(C)(=O)=O	2114019967	HGQWYHIFLLBQDB-JTQLQIEISA-N	350.278	2.201	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])CO1	2218739897	HITGUMZWTYGBAO-LPWJVIDDSA-N	353.423	2.358	10	10	FECE	
C[C@@H](CN(C(=O)C=Cc1ccc(N2CCOCC2)cc1)C1CC1)C(=O)O	2311977665	OJGDDQFXKOGBGO-HNNXBMFYSA-N	358.438	2.248	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CCC[C@@H]2C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1	2317361174	NTZXVUOYSZUBOY-MGPQQGTHSA-N	350.459	2.289	10	10	FECE	
COc1ccc(CN2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c(O)c1	182305764	IXSSYBBRKFHEKG-KRWDZBQOSA-N	368.499	2.227	10	10	FECE	
CCN1CCN(c2ccc(CNc3ncccc3C(=O)NC)cc2F)CC1	301401727	QQYZCSCHMLMZLC-UHFFFAOYSA-N	371.460	2.334	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCO[C@H](C(F)F)C1	194162339	JWYWJJUOIBCSQK-GIZXNFQBSA-N	352.381	2.029	10	10	FECE	
Cc1noc(CNC(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)n1	514906615	NUFQLACSMCDFOB-UHFFFAOYSA-N	367.453	2.416	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1cnns1	92126017	URZAPUPZJKHEMR-UHFFFAOYSA-N	357.483	2.000	10	10	FECE	
COc1ccc(CN2CCN(CCCOCC(F)(F)F)CC2)c(O)c1	92505494	OUPIIIJCINLTRP-UHFFFAOYSA-N	362.392	2.487	10	10	FECE	
COc1ccc(N2CCN(c3cnnc(N4CCC(C)CC4)n3)CC2)cc1	244534661	ZVCRIEXGXMRNJU-UHFFFAOYSA-N	368.485	2.443	10	10	FECE	
N[C@@H]1C(=O)Nc2cc(N3CCO[C@H]4CCC[C@H]43)c(Br)cc21	252593386	FUFDHPSLUWTEJB-XBFCOCLRSA-N	352.232	2.159	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CN1CC[C@]2(CNCCO2)C1	719955581	DRNGLBSNIGSYBX-AWEZNQCLSA-N	361.667	2.372	10	10	FECE	
NC[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cccc3nsnc23)C1	392969000	TXIJKBPLVOEJBJ-NSHDSACASA-N	360.464	2.018	10	10	FECE	
COc1ccc(O)c(CNC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)c1	734016117	LAMHLGMDDGGENO-INIZCTEOSA-N	372.446	2.232	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)N[C@H]1CC12CCNCC2	831193411	KFGLEZMKQXZTHL-ZDUSSCGKSA-N	354.248	2.096	10	10	FECE	
COc1cc(Br)cc([C@@H](C)NCCCn2cncn2)c1O	848540639	IVJQYIJCNCDASB-SNVBAGLBSA-N	355.236	2.496	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)c1cn(C2CCC2)nn1	843769311	XGLFYUIWGHUBDV-UHFFFAOYSA-N	357.483	2.486	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](c4noc(C)n4)C3)C2)cc1	923185838	QDKAFMNZKGHOAN-CABCVRRESA-N	371.441	2.164	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Cc3ccc([S@@](C)=O)cc3)C2)cc1	855223039	BHXNRVFVBCPRSL-AKJBCIBTSA-N	372.490	2.370	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCC(C4(O)CC4)CC3)C2)cc1	854297778	WSMUOWSWBSAPSZ-MRXNPFEDSA-N	359.470	2.220	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@H](N4CCCC4)C3)C2)cc1	854301004	GBTDYXCTMOMDAR-AEFFLSMTSA-N	358.486	2.154	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](c3nncn3C)C(C)C)C2)cc1	852324420	STLCTFLBOYAYOU-WMLDXEAASA-N	372.473	2.099	10	10	FECE	
Cc1cc(CC(=O)OCCN2C(=O)N[C@H](C)C2=O)c(C)n1-c1ccccc1	853932962	VFHIODKQCMPRHW-CQSZACIVSA-N	369.421	2.120	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H](NC(C)=O)C3CCCC3)C2)cc1	855230392	VXKSZMRLWYTMEL-VQIMIIECSA-N	359.470	2.085	10	10	FECE	
CN(CCC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccncc1	856212770	RNMSQQGELYXXAG-UHFFFAOYSA-N	368.481	2.185	10	10	FECE	
C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2N)cc1)c1ccc(N(C)C)cc1	868234445	RCMJEYWKJBHAAP-ZNZDAUKMSA-N	366.465	2.383	10	10	FECE	
CO[C@@H](C)CS(=O)(=O)NC(=O)c1cc(C)n(-c2ccccc2C)c1C	764194935	PCVPQBIPYFWGMP-AWEZNQCLSA-N	364.467	2.497	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CCNC12CCC2	861560051	YFRKLWXRRUFRGK-KRWDZBQOSA-N	360.527	2.324	10	10	FECE	
O=C(NCc1cccc(Br)c1O)N[C@@H]1[C@H]2C[C@@H]3CO[C@@H]1[C@H]3C2	868908187	UNWJXTHXFYWGSF-WCPYMQEGSA-N	367.243	2.377	10	10	FECE	
Cc1cc(CNC[C@@H](O)CC2(O)CCOCC2)c(C)n1-c1ccccc1	872215547	BIOFZQZMZYOVTJ-FQEVSTJZSA-N	358.482	2.476	10	10	FECE	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)o2)cc1C	773232375	PUWTYABCERYEQE-UHFFFAOYSA-N	358.441	2.459	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)Nc3ccc(C)nc3)CC2)cc1	770262472	HRSVOQQCJBVVEP-UHFFFAOYSA-N	369.469	2.342	10	10	FECE	
COC(=O)c1c(CNCC2(OC)CCOCC2)c2cc(F)ccc2n1C	894357862	CIKLEIAMFXOWFF-UHFFFAOYSA-N	364.417	2.389	10	10	FECE	
COC(=O)[C@@]1(O)CCN(Cc2ccc(OCc3ccccc3)cc2O)C1	895703375	MEGZOLWDLZYVRS-HXUWFJFHSA-N	357.406	2.081	10	10	FECE	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc[nH]c1C1CC1	785898148	VDXYPRWKFKHLAW-UHFFFAOYSA-N	373.478	2.057	10	10	FECE	
COC(=O)c1c(CNCC(=O)NCc2ccco2)c2cc(F)ccc2n1C	894166248	RNOPWDDAPOKTAO-UHFFFAOYSA-N	373.384	2.103	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)NC(C)(C)CNC(N)=O)CCCC1	1134542174	LAFUMTOOVYZIBC-UHFFFAOYSA-N	372.469	2.092	10	10	FECE	
CCN(CC)[C@H](C)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1227721530	ORLFLHQHTOAOMW-APWZRJJASA-N	363.550	2.385	10	10	FECE	
Cc1ccc(N2C[C@@H](C(=O)NCc3cc(O)ccc3O)CC2=O)cc1F	1176739928	XQTBICWKINWVGL-ZDUSSCGKSA-N	358.369	2.215	10	10	FECE	
COC(=O)c1c(CN[C@H](CCO)CSC)c2cc(F)ccc2n1C	1331566967	RQMJRWMSIPCZSM-GFCCVEGCSA-N	354.447	2.308	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)NC3CCC=CCC3)C2)cc1	1333977811	GUBIPSKRXPAMLP-INIZCTEOSA-N	357.454	2.005	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@H]21	2118179470	WCEBHCSHRHGHNP-MGPQQGTHSA-N	362.426	2.473	10	10	FECE	
Cc1cc(=O)c(C(=O)NCc2c(O)cccc2F)nn1-c1ccccc1	1456109398	YDEJZICARJHJTO-UHFFFAOYSA-N	353.353	2.316	10	10	FECE	
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCc1cc(Cl)ccc1O	1469874716	OSTCUBQKVQBKLT-UHFFFAOYSA-N	363.757	2.000	10	10	FECE	
CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NCc1cccc(O)c1O	1471643846	KVWPGUXWANVQKR-KRWDZBQOSA-N	371.437	2.238	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@H](N(C)C)C1	1627013559	FPEQUAMFCLZDMD-WBVHZDCISA-N	362.470	2.404	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2124531771	GLNGJSYUWFUYCE-MGPQQGTHSA-N	367.450	2.417	10	10	FECE	
COCCNC(=O)c1ccc(NC(=O)Cc2ccc(N)cc2)cc1Cl	152287322	SGLMEWAXJQKHMK-UHFFFAOYSA-N	361.829	2.480	10	10	FECE	
Cc1sc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)nc1O	1123666361	DGYRYXWZQXPHJY-UHFFFAOYSA-N	361.467	2.296	10	10	FECE	
O=S1(=O)CCC[C@@]12CCN(Cc1c(O)cccc1Br)C2	708638693	AGIKXYVJMAKPKS-AWEZNQCLSA-N	360.273	2.308	10	10	FECE	
COc1cccc(CNC[C@H]2CN(C(=O)OC(C)(C)C)CCN2C)c1O	394391921	NBQNACPJQFZKNL-HNNXBMFYSA-N	365.474	2.042	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C12CCC2	2072029150	KJZARBVBIXDQDY-ABHRYQDASA-N	350.459	2.336	10	10	FECE	
Cc1cccc(O)c1CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O	2081047442	PDEUUJXREVLOHG-CQSZACIVSA-N	350.415	2.207	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@]1(C)C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2081167477	FDIGIYGBUSKUGY-WBMJQRKESA-N	353.423	2.171	10	10	FECE	
CN[C@@H](c1ccc2c(c1)CCN2C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1	2106853101	MWCPDFAILJMMBY-PXNSSMCTSA-N	361.486	2.311	10	10	FECE	
CCC[C@@H](C(=O)O)N1C(=O)C(=C2C(=O)Nc3ccccc32)SC1=S	2296883081	MTRYWBAIIMGWGI-JTQLQIEISA-N	362.432	2.463	10	10	FECE	
Cc1cccc(N2C(=O)NC(=O)C(=CNNc3ccccc3C)C2=O)c1	2297511496	PVPLOUFOTUYGTE-UHFFFAOYSA-N	350.378	2.387	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N[C@@H](CCO)c1ccco1	2309444393	NXKPGJGXJBDZAJ-SFHVURJKSA-N	356.422	2.369	10	10	FECE	
C[C@H](CN(C(=O)C=Cc1ccc(N2CCOCC2)cc1)C1CC1)C(=O)O	2311977666	OJGDDQFXKOGBGO-OAHLLOKOSA-N	358.438	2.248	10	10	FECE	
C[C@H](CC(=O)NCCc1ccc(N)cc1)S(=O)(=O)c1ccc(F)cc1	237638843	XYSYRWPJPMVOPM-CYBMUJFWSA-N	364.442	2.319	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)[C@@H]3[C@H]4CCC[C@H]43)CC2)cc1	248333031	FOIRULODXOHSNI-PMOLBWCYSA-N	357.498	2.370	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)cc1	248666686	WUJKIFMFDKJYQV-SJORKVTESA-N	362.518	2.129	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2CC(=O)N1CCO[C@H]2CCCC[C@H]21	245441733	VRJDSHXLPGHLMP-MSOLQXFVSA-N	359.470	2.121	10	10	FECE	
O=C(N[C@@H]1CCc2nc[nH]c2C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	367861140	YBIHYYIUFMWPTB-CVEARBPZSA-N	370.453	2.363	10	10	FECE	
COc1cc(O)c(CNCCCN2C(=O)COc3ccccc32)cc1OC	271788244	GCYDTJXEDINKKC-UHFFFAOYSA-N	372.421	2.315	10	10	FECE	
CNc1nc(C)cc(C(=O)NCc2cc(Br)ccc2O)n1	804734357	BMLGBJCGQPPIBQ-UHFFFAOYSA-N	351.204	2.225	10	10	FECE	
CO[C@H]1COCC[C@@H]1CC(=O)NCc1cccc(Br)c1O	296965169	YKRKVWGXDKLSRJ-MFKMUULPSA-N	358.232	2.213	10	10	FECE	
O=C(CSc1nncs1)NCc1cc(Br)ccc1O	804739494	HMSTYQSFISUZKP-UHFFFAOYSA-N	360.258	2.415	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CCc2nc[nH]c2C1	811864511	BXESPGJHPFFNIO-HNNXBMFYSA-N	371.510	2.320	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C[C@@H]3CCOC[C@@H]3OC)CC2)cc1	823004788	XURQDCOWVIPUQF-KXBFYZLASA-N	362.470	2.222	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)/C=C/c3cnccn3)cc2F)CC1	730195056	ZKSHPGHPMHQKPB-GQCTYLIASA-N	369.444	2.087	10	10	FECE	
C[C@H](Cc1cnn(C)c1)C(=O)NCc1cc(Br)ccc1O	837642782	CTHXGGLXIYICNP-SNVBAGLBSA-N	352.232	2.383	10	10	FECE	
C[C@@H](N)[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	841710375	SLJDSXWJCRAYJI-VXGBXAGGSA-N	374.407	2.077	10	10	FECE	
C[C@H](NCC(C)(C)CS(C)(=O)=O)c1ccc(N2CCOCC2)c(F)c1	926953209	JSUAKUGIBKRJKP-AWEZNQCLSA-N	372.506	2.384	10	10	FECE	
COc1cc(N2C[C@@H](O)[C@H](Oc3ccccc3)C2)c([N+](=O)[O-])cc1OC	865999622	VXFXJTXRWSARHQ-CRAIPNDOSA-N	360.366	2.241	10	10	FECE	
CCOC(=O)C1(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCOCC1	864633486	HXIIEGAIQGAEPN-UHFFFAOYSA-N	362.470	2.461	10	10	FECE	
Cc1noc([C@H]2OCC[C@H]2NC(=O)c2cc(C)n(-c3ccccn3)c2C)n1	863749765	AWCNMKYXBVOGHK-WBVHZDCISA-N	367.409	2.441	10	10	FECE	
O=C(NCc1cccc(Br)c1O)N[C@@H]1[C@H]2C[C@@H]3CO[C@H]1[C@H]3C2	868908186	UNWJXTHXFYWGSF-RDEBFJIRSA-N	367.243	2.377	10	10	FECE	
COCCN(C(=O)/C=C/c1cncc(O)c1)c1ccc(OC)c(OC)c1	770498796	GJFNDSRKBLPTJV-QPJJXVBHSA-N	358.394	2.497	10	10	FECE	
Cc1nc(I)c(N)c(=N[C@@H](C)c2ccccc2O)[nH]1	1877579202	UUSGMTHNDANIDX-ZETCQYMHSA-N	370.194	2.272	10	10	FECE	
c1nc2c([nH]1)C1(CCOCC1)N(Cc1ccc(N3CCOCC3)cc1)CC2	895071475	OVUIXKZGKWHEAZ-UHFFFAOYSA-N	368.481	2.310	10	10	FECE	
NC(=O)C1CCN(c2cccc(NC(=O)c3cccc(O)c3F)c2)CC1	1136881308	KPGBWUFXWSLEDU-UHFFFAOYSA-N	357.385	2.485	10	10	FECE	
O=C(O)C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)C1CCOCC1	1322233541	LQFFBWMLZUKONH-QGZVFWFLSA-N	366.433	2.022	10	10	FECE	
Cc1cc(N(C)C)ccc1CNCc1cccc([C@@]2(C)NC(=O)NC2=O)c1	1325241886	LKTBHDBFZBKKEZ-OAQYLSRUSA-N	366.465	2.405	10	10	FECE	
CC(C)(C)C(=O)Nc1nc(CC(=O)NCc2cc(O)ccc2O)cs1	1455357531	SJKAXBUXUAKVOJ-UHFFFAOYSA-N	363.439	2.398	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCN(CC(F)(F)F)CC1	1296246079	KHCGVQCXMNYKDW-LLVKDONJSA-N	360.376	2.419	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCc2cc(=O)cc[nH]2)cc1	1468776846	BPSRFZXSLHBGSK-UHFFFAOYSA-N	363.417	2.454	10	10	FECE	
CS(=O)(=O)Nc1cc(C(=O)NCc2ccc(O)cc2O)ccc1Cl	1469159475	KDPZJOZGEWFRRX-UHFFFAOYSA-N	370.814	2.053	10	10	FECE	
CC(C)OCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1O	1611080516	QFWCLMJEFLZHDW-UHFFFAOYSA-N	370.457	2.446	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCOC[C@@H]1C[C@H](O)c1cccs1	1631589636	NSAGRDAVULSKOM-BBRMVZONSA-N	363.435	2.053	10	10	FECE	
COC(=O)c1ccn(CCCC(=O)N[C@H](C)c2cc(OC)ccc2O)n1	1630372130	FISCAZAOYXFGEZ-GFCCVEGCSA-N	361.398	2.042	10	10	FECE	
Cc1cc(N2C[C@@H](C(=O)NCc3c(O)cccc3O)CC2=O)ccc1F	1635847613	QHLBSQAXFCSSQJ-LBPRGKRZSA-N	358.369	2.215	10	10	FECE	
CCCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)c(F)c1	1695283803	WPLADSSQMLWNHJ-OAHLLOKOSA-N	374.464	2.329	10	10	FECE	
C[C@@H](NC(=O)/C=C/c1ccc(N2CCOCC2)cc1)C(=O)OC(C)(C)C	152644013	RGUFUQKHTUZCQZ-JOZWUWCOSA-N	360.454	2.383	10	10	FECE	
COC(=O)c1c(NC(=O)[C@@H]2C[C@@H](O)CN2)sc(C)c1-c1ccccc1	1866042405	YWWHRXGQTIWPBK-OLZOCXBDSA-N	360.435	2.171	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)CCN1C(=O)OC(C)(C)C	2132411209	SYRVAOCQSXJUHY-JQWIXIFHSA-N	366.414	2.321	10	10	FECE	
C[C@@H]1C[C@H]1CNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136258436	IVSGFZUULHEKHD-XBFCOCLRSA-N	364.442	2.306	10	10	FECE	
CN[C@H](c1ccccc1O)[C@@H](O)[C@@]1(C)COCCN1C(=O)OC(C)(C)C	2136532918	CKAXJAJRCIQHEJ-GPMSIDNRSA-N	366.458	2.040	10	10	FECE	
COC[C@@H](O)CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21	369220126	RLDMONWBOPPCIJ-INIZCTEOSA-N	350.459	2.471	10	10	FECE	
C[C@H](CN(C)[C@H](C)C(=O)Nc1ccc(N)cc1)NC(=O)OC(C)(C)C	2044598446	RZSOXIGTLZCBLL-CHWSQXEVSA-N	350.463	2.441	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](NC(=O)c2ccc(O)c(O)c2)C1	2054418134	REVZVYBMWBJIHK-QQVUYCAZSA-N	354.378	2.223	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2060616488	BCGQTVLWCQEBEU-OLZOCXBDSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NCc2cc(F)cc(F)c2O)C1	2063344116	COLOHQWYZNETGY-UONOGXRCSA-N	358.385	2.130	10	10	FECE	
C[C@H](COCC(=O)N[C@H](C)c1ccccc1O)NC(=O)OC(C)(C)C	2072470854	JEBDSINBRIJJNO-CHWSQXEVSA-N	352.431	2.499	10	10	FECE	
CN(Cc1ccccc1)[C@@H]1CCN(C[C@H](O)COc2ccc(N)cc2)C1	2095871089	YLYAKUKFDSTFKO-UXHICEINSA-N	355.482	2.215	10	10	FECE	
C[C@H](c1ccccc1O)N(C)CC(=O)CN1C(=O)c2ccccc2C1=O	2210628821	AMEDSEGJKQRLHI-CYBMUJFWSA-N	352.390	2.250	10	10	FECE	
Cc1cc(Br)nc(NS(=O)(=O)Cc2ccc(N)cc2)n1	2287605008	SBOQGNDRWSSWTP-UHFFFAOYSA-N	357.233	2.072	10	10	FECE	
O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=CNCc1ccc(F)cc1	2297317919	JHYORHOKVUVVHM-UHFFFAOYSA-N	373.384	2.386	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)c1c(Br)c(Br)nn1C	2301127330	CXKNFMMFIRWQJQ-UHFFFAOYSA-N	366.017	2.327	10	10	FECE	
O=C1N=C(N2CCCCC2)SC1=Cc1cn(Cc2cccnc2)nn1	2308291224	RVTRSYMAGIVKOB-UHFFFAOYSA-N	354.439	2.178	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@]2(NC(=O)Nc3ccc(N)cc3)CO[C@H]1C2	2334246177	HTTJUNBVYCNWES-SUNYJGFJSA-N	362.430	2.215	10	10	FECE	
Cc1ccc(OCC(=O)NC2=NN(c3ccccc3)C(=O)C2)c([N+](=O)[O-])c1	8906600	ZJNGUHIMCUAMLW-UHFFFAOYSA-N	368.349	2.149	10	10	FECE	
Cn1cc(NC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)ccc1=O	175314781	KOJUNKKNUGNERR-UHFFFAOYSA-N	358.353	2.413	10	10	FECE	
CN(C)CCCC1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1	301911910	GSNYTMRHWUDVSZ-UHFFFAOYSA-N	362.430	2.484	10	10	FECE	
COc1ccc(CC(=O)NC2=NN(c3ccccc3)C(=O)C2)cc1OC	21024240	WGIUFZLDACJSGD-UHFFFAOYSA-N	353.378	2.113	10	10	FECE	
COCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(N2CCOCC2)cc1	125111253	BAFQJYUHAOYEMA-QAPCUYQASA-N	371.485	2.447	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN(CCC(C)C)C(C)=O)CC2)cc1	242912580	GUCORVOHBANMAJ-UHFFFAOYSA-N	361.486	2.238	10	10	FECE	
COc1nnc(NC(=O)NCc2cccc(Br)c2O)s1	801746740	BVNNBFTVNNBWRY-UHFFFAOYSA-N	359.205	2.337	10	10	FECE	
CC(=O)C(=O)COC(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	808528309	XBOAAXQVHDOXTO-TZMCWYRMSA-N	355.431	2.361	10	10	FECE	
CN(C)c1ccc(CN2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)cc1F	826894826	XFXZHOHGDCRBGR-FZMZJTMJSA-N	368.396	2.299	10	10	FECE	
C[C@H](NC(=O)N1CCS(=O)(=O)[C@H]2CCC[C@H]21)c1ccc(N(C)C)cc1	836405578	IBBCWTVYEIMHPA-XKQJLSEDSA-N	365.499	2.175	10	10	FECE	
CCN1C[C@H](N[C@H](C)c2cc(Br)cc(OC)c2O)CC1=O	848553375	KXCKJSLKNSSPKC-MWLCHTKSSA-N	357.248	2.435	10	10	FECE	
C/C(=C/c1cccnc1)C(=O)N1CCCc2c(OCC(N)=O)cccc21	847073606	FXKQKWNPXHGBKY-KAMYIIQDSA-N	351.406	2.328	10	10	FECE	
Oc1cc2c(cc1CN1CCC[C@@H]3CC4(CC[C@@H]31)OCCO4)[C@@H](O)CO2	840137453	WBXDPLLYHBNDOP-SKDZVZGDSA-N	361.438	2.326	10	10	FECE	
O=C(O)/C=C\c1ccc(N2CCC([C@H](O)c3ncc[nH]3)CC2)c([N+](=O)[O-])c1	844213773	LXJIUNRUWDNBIN-MMTGSJLXSA-N	372.381	2.366	10	10	FECE	
Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(O)c(O)c3)CC2=O)cc1	916590588	ANCSSGQJHDDIFG-AWEZNQCLSA-N	369.373	2.185	10	10	FECE	
CCN(CC)CCS(=O)(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	841569636	MWCMKZBTCQUCDR-INIZCTEOSA-N	355.548	2.253	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1coc(S(C)(=O)=O)c1	845309512	HVPDUUDMLLYBRD-UHFFFAOYSA-N	350.440	2.411	10	10	FECE	
COc1ccc2c(c1)CCCN2[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O	851722887	SCYKZDAKCHUATE-QGZVFWFLSA-N	360.454	2.390	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)Cn2nc(CO)ccc2=O)c1C	863479893	CMEUZVSAXUZJNK-UHFFFAOYSA-N	351.406	2.334	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@H]4CC[C@]4(N)C3)ccc(N)c2C1	1876189795	WHJMKBGRLXFALL-XCLFUZPHSA-N	358.486	2.490	10	10	FECE	
COC(=O)c1c(CN2CCCC[C@@H]2CC(N)=O)c2cc(F)ccc2n1C	893978442	SIBIIMFFMWHLGU-CYBMUJFWSA-N	361.417	2.334	10	10	FECE	
CN1CCN(c2ccc(CN3CC(C)(C)O[C@@]4(CCOC4)C3)cc2)CC1	793364238	AQIJXOGSLQMRBQ-NRFANRHFSA-N	359.514	2.208	10	10	FECE	
COCCN(Cc1ccc2c(c1)OCO2)C(=O)Cc1ccc(O)c(O)c1	1146878167	YOBZGTDBRDMZBP-UHFFFAOYSA-N	359.378	2.044	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1Cc2cc(F)ccc2NC1=O	1147888277	MRWNMCCJMAKNII-HNNXBMFYSA-N	369.396	2.428	10	10	FECE	
CCNCc1ccc(N2CCS(=O)(=O)[C@H](C)C2)cc1Br	707153226	VTSUHHJMBZQHHH-LLVKDONJSA-N	361.305	2.182	10	10	FECE	
CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1cccc(C(N)=O)c1	1339079940	SFUUCGDKFLVFAF-UHFFFAOYSA-N	350.396	2.079	10	10	FECE	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2C[C@H](CO)[C@@H](CCO)C2)c1	1351005347	KPMJMFMRSPADJB-ZWKOTPCHSA-N	356.466	2.465	10	10	FECE	
CCOc1cccc(CNCC2(CNC(=O)OC(C)(C)C)COC2)c1O	2120310630	OQQUDBJWIUOHPH-UHFFFAOYSA-N	366.458	2.422	10	10	FECE	
C[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1nnc(O)n1C	1479374344	BPKXSMQVKOCPNA-GFCCVEGCSA-N	371.397	2.292	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(Cn2cncn2)c1	1611431290	MKRQSIIIAOWVAN-ZDUSSCGKSA-N	352.394	2.099	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2COCC[C@]2(C(=O)NCCCCN=[N+]=[N-])C1	2124518556	ZKXBJQGWKVAMSO-GUYCJALGSA-N	367.450	2.467	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2124537485	YQZKIBSTUMCPMY-HZSPNIEDSA-N	367.450	2.417	10	10	FECE	
CCOC(OCC)[C@H](C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	1636853848	LNXYHGXCFPVOET-GJZGRUSLSA-N	365.474	2.361	10	10	FECE	
COc1cc(C)c([S@](C)=O)cc1OC(=O)Cc1ccc(O)c(O)c1	1630461643	FJPIERYXPILQAR-DEOSSOPVSA-N	350.392	2.300	10	10	FECE	
COC(=O)[C@](C)(Cc1ccc(F)cc1)NC(=O)c1ccc(C)c(O)c1O	1636771780	TXDMCBFMDXKLBH-IBGZPJMESA-N	361.369	2.450	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N[C@H]2C(=O)NCC2(C)C)CCCC1	1640899844	JPWCNPHPYIZULN-IBGZPJMESA-N	369.465	2.170	10	10	FECE	
Cc1c(C(=O)NCc2cccc(O)c2O)nnn1Cc1ccc(F)cc1F	1643812453	JTMHFRYVVGIVPC-UHFFFAOYSA-N	374.347	2.254	10	10	FECE	
CCN(CC)C[C@@H](C(N)=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	5848454	NZCXJJBEJUBDAN-GOSISDBHSA-N	350.418	2.373	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CCN(c3cc4c(cc3N)OCCO4)[C@H]2C1	2132363765	FITRCXNMVAFQEC-DOMZBBRYSA-N	361.442	2.486	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2cccc(O)c2O)[C@H](CO)CC1	1921716524	SWWOTBMRUTZHKA-GJZGRUSLSA-N	366.458	2.195	10	10	FECE	
O=C1Nc2cc(N3C[C@@H]4CSC[C@H]4C3)c(Br)cc2[C@@H]1O	711641145	VQCFVPMAPDTJFX-RBDZCENOSA-N	355.257	2.234	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1[C@@H](CN)c1ccc(N(C)C)cc1	2194859386	JEEBUDAYZSKADO-INWMFGNUSA-N	372.435	2.284	10	10	FECE	
Cc1cccc(CNC[C@H]2C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C2)c1O	2052661526	WTFZOQAANHJBKT-CWRNSKLLSA-N	350.459	2.454	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NCc3cc(F)ccc3O)CO[C@H]2C1	2057955602	ZNRFCPYEUNUENF-DZKIICNBSA-N	352.406	2.255	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC1	2059512521	HANBQQFPUKWVLP-ZDUSSCGKSA-N	350.415	2.156	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]2CN(c3cc4c(cc3N)OCC(=O)N4)C[C@H]21	2188886679	AFZKIHNPWURBSQ-XHDPSFHLSA-N	374.441	2.045	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@]2(COc3nnc(=N)[nH]n3)CCCC[C@@H]12	2226141046	HGXKGCJNEUVISH-PXAZEXFGSA-N	364.450	2.018	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@]2(C(=O)NCc3ccccc3O)CO[C@H]1C2	2334204929	KDGDBAFFOLDUMI-ZUEVXXBESA-N	362.426	2.081	10	10	FECE	
O=C(Cn1nnc2ccccc21)N(Cc1ccccc1O)C[C@H]1CCCO1	172229563	ZUMSQRRQEZPHOB-MRXNPFEDSA-N	366.421	2.345	10	10	FECE	
Cc1ccc(-n2c(C)cc(C(=O)CN[C@@H]3CCS(=O)(=O)C3)c2C)cc1	62658935	VDASTXMEVDGECN-MRXNPFEDSA-N	360.479	2.362	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C/c1ccc(C(N)=O)cc1	176489109	BRAWYDHOBQJAOU-BJMVGYQFSA-N	351.406	2.290	10	10	FECE	
O=C(OCc1ccccc1)N1CCO[C@@H](CNCc2cccc(O)c2O)C1	302119518	TWWUNNIFHQPEAG-KRWDZBQOSA-N	372.421	2.225	10	10	FECE	
Cc1cc(C(=O)NC[C@@H]2CN(C3CC3)CCO2)c(C)n1-c1ccccn1	127599073	QXKFKVTWBVPLQZ-QGZVFWFLSA-N	354.454	2.082	10	10	FECE	
CCN1C(=O)C(=CNc2ccnn2[C@@H](C)C2CC2)C(=O)N(CC)C1=S	72680458	GQWOJMSTHOYOFQ-NSHDSACASA-N	361.471	2.145	10	10	FECE	
CN1CC[C@@H]2[C@@H](CCCN2C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1	247324000	SYFRBVSCXOUCRD-NTPJFSOPSA-N	369.509	2.479	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(C(=O)NC2CCCCC2)CC1	272500778	SRIRPFGKMHVTKM-VQHVLOKHSA-N	373.453	2.298	10	10	FECE	
O=C(Nc1ccc(NC(=O)c2cccc3ncnn23)cc1)C1=S=CC=C1	542009384	CODRZLHCAQHUQZ-UHFFFAOYSA-N	363.402	2.198	10	10	FECE	
Cc1ccc(CN2CC[C@@H]3CS(=O)(=O)C[C@@H]32)c(O)c1Br	2380723425	VKFTVSILIBTXEO-NEPJUHHUSA-N	360.273	2.082	10	10	FECE	
Cc1cc(C(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)c(C)n1-c1ccccn1	804540894	IMSBMUQBCTZUFN-AWEZNQCLSA-N	361.467	2.185	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](c1cccnc1)C1CC1	808293786	DHJCCRQITPPMMZ-IBGZPJMESA-N	366.465	2.374	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H](CN)c3ccc(F)cc3)CC2)cc1	825727973	LTXOFUFNNGEIMR-LJQANCHMSA-N	357.429	2.225	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)NCc3noc(C4CC4)n3)C2)cc1	823442415	GMTIXACESDRSFN-CYBMUJFWSA-N	371.441	2.281	10	10	FECE	
Cn1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc1O	829026363	IISXUTPQKRHERP-LLVKDONJSA-N	366.368	2.126	10	10	FECE	
C[C@]12CCC(=O)N1[C@@H](C(=O)NCCCSc1nccs1)CS2	733878790	HIGFGCZVJQDGPA-YGRLFVJLSA-N	357.526	2.196	10	10	FECE	
O=C(NCCCSc1nccs1)N1CC[C@H](CN2CCOC2=O)C1	838516374	OOLVXIRWEGBFDX-LBPRGKRZSA-N	370.500	2.109	10	10	FECE	
Cc1cc(N2CC[C@@H](NC/C=C/c3ccc(N(C)C)cc3)C2=O)n(C)n1	835042501	JECADXGOIYQJRH-DUMMIQTOSA-N	353.470	2.203	10	10	FECE	
C[C@@H](N[C@H]1CCN(c2ccc3nncn3n2)C1)c1cc(F)cc(F)c1O	858488625	IXVBZXYDFNUMBH-PWSUYJOCSA-N	360.368	2.038	10	10	FECE	
CCC[C@H](C)N1C[C@H](C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1=O	855229394	JPJMFRMJQOWWSG-GVDBMIGSSA-N	373.497	2.427	10	10	FECE	
O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCCN2CCSC[C@H]12	925167332	PPAWBXOXVATQRR-UONOGXRCSA-N	355.891	2.425	10	10	FECE	
CCCN(C[C@H]1CCCCO1)C(=O)c1cc(NS(C)(=O)=O)ccc1O	769774446	DQETVSMXGUWZFI-CQSZACIVSA-N	370.471	2.185	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H]1CCC2(CCCC2)O1	1118326047	OUDKJZMGSDBRLG-SFHVURJKSA-N	373.497	2.319	10	10	FECE	
Cc1ccc(S(=O)(=O)N(C)CC(=O)N2Cc3cccc(O)c3C2)cc1C	871199293	VKVNPTOIXYZPQJ-UHFFFAOYSA-N	374.462	2.172	10	10	FECE	
CNC(=O)c1cccc(CN2CCN(c3ccc(OC)cc3OC)CC2)c1	879463427	HGSWKLOXMFLXIF-UHFFFAOYSA-N	369.465	2.386	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)NCCCCN=[N+]=[N-]	1963733078	URBIGAQDAGBDQR-STQMWFEESA-N	355.439	2.465	10	10	FECE	
Cc1cc(CC(=O)N2CC3(CCNC(=O)O3)C2)c(C)n1-c1ccccc1	1179570059	NNRCEHNGMFATDV-UHFFFAOYSA-N	353.422	2.348	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@@H]1CCN1C1CCCC1	1331276980	DFQCQVWOHQWBKI-FQEVSTJZSA-N	372.513	2.339	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CC2(C1)CC2(F)F	1334373841	SWWWZCIVSGRWSZ-JKGQDXBKSA-N	369.364	2.124	10	10	FECE	
O=C(NCc1cccc(O)c1O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1	1521852240	STYVCSRKZJRNFT-CQSZACIVSA-N	374.824	2.416	10	10	FECE	
COC(=O)c1ccc(CCNC(=O)c2c(F)ccc(O)c2O)c(OC)c1	1611383962	UYRXEGMYFXCVIQ-UHFFFAOYSA-N	363.341	2.005	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)COc2ccc(N)cc2)[C@H]2C[C@H]21	2121246362	UTCUFDDTFAAHDB-OWCLPIDISA-N	361.442	2.162	10	10	FECE	
Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CC[C@H](CN=[N+]=[N-])C2)cn1	2124536573	RTXQRNKWUPBIBB-YPMHNXCESA-N	363.422	2.145	10	10	FECE	
COc1ccc(CNC(=O)[C@H]2[C@H]3C[C@H]3CN2C(=O)OC(C)(C)C)c(O)c1	1568097407	JKRQWPCIAIOPJJ-DUVNUKRYSA-N	362.426	2.272	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCOC[C@H]1C[C@H](O)c1cccs1	1631589638	NSAGRDAVULSKOM-CJNGLKHVSA-N	363.435	2.053	10	10	FECE	
Cn1c(CCNC(=O)/C=C\c2ccc(O)c(O)c2)nnc1-c1ccccc1	1633759349	MQPBESFBZARIMA-NTMALXAHSA-N	364.405	2.265	10	10	FECE	
Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)NCc1ccc(O)c(O)c1	1595595310	BJBKDWKKZGDYJL-UHFFFAOYSA-N	362.386	2.108	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C(C)(C)C)n1CC1(O)CCOCC1	1696699458	BWIALABNHFZFKL-UHFFFAOYSA-N	374.485	2.459	10	10	FECE	
COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1	5841509	UULCJRGIRBBPAN-VGVSSDJJSA-N	372.377	2.446	10	10	FECE	
C[C@@H](C(=O)N1CCC(CN=[N+]=[N-])CC1)N1CC(NC(=O)OC(C)(C)C)C1	2131755032	DXCQEDXIYJKAIW-LBPRGKRZSA-N	366.466	2.133	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COCC[C@@]1(Sc1nccs1)C(=O)O	1904757831	RZUOMJYSIDKKGZ-OTYXRUKQSA-N	360.457	2.372	10	10	FECE	
Nc1ccc(O)c(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)c1	404177331	IBYUOPSZOTWJAG-FPOVZHCZSA-N	353.466	2.450	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1CNC(=O)c1ccn(-c2ccc(N)cc2)n1	2163220749	YVSYRUUCPGLXQG-BLLLJJGKSA-N	371.441	2.098	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](NCc3c(O)cccc3F)[C@H]2C1	2057953739	OGEWZJNDLBBUQA-INWMFGNUSA-N	352.406	2.255	10	10	FECE	
CO[C@H]1C[C@@H](C(=O)NCC2(CN=[N+]=[N-])CC2)N(C(=O)OC(C)(C)C)C1	2060611295	RLKPXLLQHOIUGM-RYUDHWBXSA-N	353.423	2.218	10	10	FECE	
CN(C[C@H]1CN(CCOc2ccc(N)cc2)CCO1)C(=O)OC(C)(C)C	2106673790	FOXJIDFFRAFGQX-KRWDZBQOSA-N	365.474	2.215	10	10	FECE	
CN1CCc2cc([C@H](N)[C@](C)(O)[C@@H]3CCN3C(=O)OC(C)(C)C)ccc21	2107325150	RXYQLSLGHCTTPE-ABSDTBQOSA-N	361.486	2.439	10	10	FECE	
CN1CCc2cc(N3CC[C@H](CO)[C@@H](NC(=O)OC(C)(C)C)C3)ccc21	2226801291	BIHXCMNXXAWHJK-WBVHZDCISA-N	361.486	2.391	10	10	FECE	
O=S(=O)(CCCNCc1ccc(Br)cc1O)C(F)F	2229331909	ZIEAWPDRBXDQPS-UHFFFAOYSA-N	358.204	2.272	10	10	FECE	
COC(=O)[C@@H](C)N1C(=O)C(=Cc2ccc(OC)c(O)c2)SC1=S	2293308674	UJISQKAPJLWANG-MRVPVSSYSA-N	353.421	2.164	10	10	FECE	
COc1ccc(N2C(=O)C(=Cc3ccco3)C(=O)NC2=S)c(OC)c1	2313541685	UJWMGSAINWNYFH-UHFFFAOYSA-N	358.375	2.128	10	10	FECE	
Cc1cc(Cl)cc(CN2CCN(c3ncccc3C(N)=O)CC2)c1O	179683680	AFQVSELOJSZZBV-UHFFFAOYSA-N	360.845	2.170	10	10	FECE	
COc1cccc(CS(=O)(=O)N2CCOc3cc(N(C)C)ccc32)c1	174062662	MXXKZFAAURGXPI-UHFFFAOYSA-N	362.451	2.490	10	10	FECE	
CCN1C(=O)/C(=C2/SC(=S)N([C@H](C)C(=O)O)C2=O)c2ccccc21	33562595	YOUAUWODSIYXAY-MDBUJETNSA-N	362.432	2.098	10	10	FECE	
Cc1cc(C(=O)CN(C[C@H](C)O)[C@@H](C)CO)c(C)n1-c1ccc(F)cc1	190890403	XFIMZRSGIPZIHS-GJZGRUSLSA-N	362.445	2.480	10	10	FECE	
CCCN(CCC)c1ccc(CN2CC[C@@H](NS(C)(=O)=O)C2)cc1	93531369	FTSZUPSKPOOKMM-QGZVFWFLSA-N	353.532	2.437	10	10	FECE	
Cc1cc(Cl)cc(CN2CCC[C@H](N3CCCS3(=O)=O)C2)c1O	279507597	WXLMZBASLGFHFO-HNNXBMFYSA-N	358.891	2.354	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3CCOC[C@@H]3C)CC2)cc1F	277454776	LAEUSEGYGYMCSP-XJKSGUPXSA-N	351.422	2.091	10	10	FECE	
C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCN1C	823548585	REYCDAVGJNYJMX-APWZRJJASA-N	374.529	2.272	10	10	FECE	
O=C(NCc1ccccc1)C1CCN(C(=O)c2c(F)ccc(O)c2O)CC1	823748163	SIAQOXSLAVXYMU-UHFFFAOYSA-N	372.396	2.406	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CCO[C@@]3(CCSC3)C2)cc1F	826020095	QADIOWAGFMTCAZ-KRWDZBQOSA-N	353.463	2.309	10	10	FECE	
CC(=O)NC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1	828582783	JZIGIVHYQQATKT-HNNXBMFYSA-N	359.451	2.484	10	10	FECE	
CCOC(=O)CN1C(=O)/C(=C\c2cn(C3CCC3)nn2)c2ccccc21	849246354	HNEGWJLCBKNHCC-YBEGLDIGSA-N	352.394	2.453	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@@H](C1CCOCC1)C1CC1)c1ccc(N(C)C)cc1	846735333	QDUTYBXDMTUFSE-IFXJQAMLSA-N	373.497	2.251	10	10	FECE	
COc1ccc(N2CC[C@H](N3C(=O)N[C@@H](c4ccc(O)cc4)C3=O)C2)cc1	849356337	DOXGDQXNQSHYLF-YJBOKZPZSA-N	367.405	2.273	10	10	FECE	
c1nnc(-c2ccc(CNCc3ccc(N4CCOCC4)cc3)cc2)nn1	846100404	LAVZZXBRRPAFJR-UHFFFAOYSA-N	362.437	2.060	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Cn3ccc(C(F)(F)F)n3)C2)cc1	855230161	UGSSBTKOQXEAAS-GFCCVEGCSA-N	368.359	2.306	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCCc3ccc(CO)cc3)C2)cc1	852241572	JGAFOQNWJCARDU-GOSISDBHSA-N	369.465	2.308	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)NCc1ccc(Cl)o1	775234815	SPOGWENHQCSHAH-UHFFFAOYSA-N	359.860	2.304	10	10	FECE	
C[C@H](NC(=O)N1CCN(c2cccnn2)CC1)c1ccc(N(C)C)cc1	773624253	KKNMJPOJDJWZFD-HNNXBMFYSA-N	354.458	2.135	10	10	FECE	
O=C(NCc1cccc(O)c1O)[C@@H](c1ccccc1)N1CCCCC1=O	1123887952	GKQTXXTVPWRVAZ-GOSISDBHSA-N	354.406	2.468	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1ncnn1CC(F)F	785630950	OTZURGWGYAFLNP-UHFFFAOYSA-N	351.401	2.012	10	10	FECE	
C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCN1CC(C)(C)O	897499473	MNECKVITQXBABZ-NSHDSACASA-N	364.467	2.230	10	10	FECE	
CCN1C[C@@H](CNCc2c(C(=O)OC)n(C)c3ccc(F)cc23)CC1=O	895148542	KKGHSWRUBMSBGM-GFCCVEGCSA-N	361.417	2.062	10	10	FECE	
COc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)c(O)c1	794389750	CUHCFJSKXDWSLK-SJORKVTESA-N	360.454	2.446	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1cnc(OC)nc1C	799136335	LFULDYROYNWELH-UHFFFAOYSA-N	365.817	2.328	10	10	FECE	
C[C@H]1CN(c2ccc3c(c2)N(C)C(=O)[C@@H]3N)CCN1Cc1ccccc1	396657750	WYJRRHXWNDWRBA-MGPUTAFESA-N	350.466	2.374	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCC(c3ncccn3)CC2)cc1	1176295606	POXJQWXDILVITQ-UHFFFAOYSA-N	353.470	2.038	10	10	FECE	
C[C@H](NC(=O)c1cc(F)ccc1NS(C)(=O)=O)c1ccccc1O	1171729784	HUNKPGKFAWCSKJ-JTQLQIEISA-N	352.387	2.394	10	10	FECE	
O=C(NCCCSc1nccs1)[C@@H]1COCCN1CC(F)(F)F	1443489531	LOEXNVYQDIOMRQ-JTQLQIEISA-N	369.434	2.005	10	10	FECE	
COc1ccc(CNC(=O)N[C@@H](c2nccn2C)C(F)(F)F)c(O)c1	1528427211	WNAQKADENCZGDL-LBPRGKRZSA-N	358.320	2.237	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)Nc3ccc(N)cc3)CO[C@H]2C1	2121653976	OFVOWDZKEQDSOQ-ZNMIVQPWSA-N	362.430	2.025	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)N(C)C)cc1	1637004511	DIKSXAPRJAOFTP-SFHVURJKSA-N	371.441	2.276	10	10	FECE	
COC(=O)C[C@]1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCCOC1	1639042736	TWXGRFXEFVLKSK-QGZVFWFLSA-N	365.407	2.155	10	10	FECE	
C[C@H](N)c1ccc(N2C[C@H]3CCS(=O)(=O)[C@H]3C2)c(Br)c1	2145072519	KJXCNOGDGYVDJW-PXWWUCIGSA-N	359.289	2.092	10	10	FECE	
O=S1(=O)CCC[C@@]12CCN(Cc1ccc(Br)cc1O)C2	708638824	CIVZTXLBTOAYHH-AWEZNQCLSA-N	360.273	2.308	10	10	FECE	
COc1cccc(O)c1CNC[C@@]1(NC(=O)OC(C)(C)C)CCOC1	2042568771	IBDPGOGCPQBQAW-SFHVURJKSA-N	352.431	2.174	10	10	FECE	
C[C@H]1COC[C@@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])N1C(=O)OC(C)(C)C	2060620443	AKSVWDDBPABUFE-AVGNSLFASA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NCc2ccc(F)c(F)c2O)C1	2063342881	YVXASYYINJHDRS-QWHCGFSZSA-N	358.385	2.130	10	10	FECE	
CN[C@](CSc1nccs1)(C(=O)OC)C1(Br)CC1	2085659389	FJTZDLFOJBLUTI-LLVKDONJSA-N	351.291	2.294	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)COc2ccc(N)cc2)C1	2106775480	YHVBEEMUDIGYDS-CQSZACIVSA-N	363.458	2.411	10	10	FECE	
COc1cc(N)c(N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)cc1OC	2106876988	HNAIFAQNUDCFTL-UWVGGRQHSA-N	359.348	2.028	10	10	FECE	
COC(=O)c1cccc(N)c1N[C@H]1COC[C@H]1CNC(=O)OC(C)(C)C	2108838405	RERXLPJPIOTBAP-RISCZKNCSA-N	365.430	2.007	10	10	FECE	
CCN[C@H]1C(=O)Nc2cc(N(CCC(N)=O)Cc3ccccc3)ccc21	2095890830	VTEAJGGAHIERNL-LJQANCHMSA-N	352.438	2.171	10	10	FECE	
CCOC1(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])CN(C(=O)OC(C)(C)C)C1	2218746254	WBUCNXFBKWRUOE-VXGBXAGGSA-N	353.423	2.360	10	10	FECE	
CO[C@H]1C[C@H](C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])N(C(=O)OC(C)(C)C)C1	2218738509	PQYZCAAHIOQGKY-ZDEQEGDKSA-N	353.423	2.358	10	10	FECE	
Cn1cc(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])c(CNC(=O)OC(C)(C)C)n1	2225791807	HOQGVDAGVLBKSV-NWDGAFQWSA-N	363.422	2.406	10	10	FECE	
C[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(O)[C@H](N)c1ccc2c(c1)CCN2C	2227162087	YMKYITZZSBZGLT-YXKFXFPPSA-N	361.486	2.439	10	10	FECE	
O=c1cc[nH]c(CNCc2cc(Cl)cc(Br)c2O)c1O	2239428926	DOIHNTQQBMSRDF-UHFFFAOYSA-N	359.607	2.492	10	10	FECE	
CCOc1ccc(C=C2SC(=S)N(CC(=O)O)C2=O)cc1OC	2294732713	FMZCKMVNZDGWKM-UHFFFAOYSA-N	353.421	2.380	10	10	FECE	
Cc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc3c(c2)OCO3)C1=O	2297318010	YUHMSVOPTQQETN-UHFFFAOYSA-N	365.345	2.303	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1CC(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2312334276	QTBIDUZEQOCAIR-FVCCEPFGSA-N	353.423	2.264	10	10	FECE	
C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C[C@@H]1N1CCOCC1	180227769	ZUZWZCFKMIGOEE-ABAIWWIYSA-N	355.822	2.106	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)CCc2ccco2)N2CCOCC2)cc1	36197080	IIYFATHGUFMUAC-FQEVSTJZSA-N	371.481	2.468	10	10	FECE	
CN(C)c1ccc(CNC(=O)NCc2ccnc(O[C@@H]3CCOC3)c2)cc1	132504754	ZZGJZUCOKHBKLE-GOSISDBHSA-N	370.453	2.315	10	10	FECE	
CO[C@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	191258509	FOVILHVSILDTOI-CABCVRRESA-N	351.422	2.029	10	10	FECE	
Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCCc2c(C(N)=O)cccc21	49734911	ITQQUHPBQBMDCP-CMDGGOBGSA-N	358.829	2.473	10	10	FECE	
CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)/C=C\c1cncc(C)c1)CC2	255326317	XOCWZUQQOIDEOR-DAXSKMNVSA-N	371.462	2.291	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1	378508466	PEGVAKQAVZYHMI-NSHDSACASA-N	362.332	2.045	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)COc1ccsc1	800304057	KIBVIWNSWKTLKT-UHFFFAOYSA-N	362.451	2.395	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)Nc3cn(C)nc3OC)C2)cc1	824303094	KTRDTUBKSVAZGZ-CYBMUJFWSA-N	359.430	2.085	10	10	FECE	
C[C@H](c1nccs1)N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	588479487	WXJQXYUTTDKKSC-HSBHDXMMSA-N	359.451	2.473	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1	900564714	ANKOMLAMCAIIKA-LLVKDONJSA-N	367.448	2.104	10	10	FECE	
NC/C=C\CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	841843383	GIUHBCJBUDJIHS-FYDYADQUSA-N	354.401	2.071	10	10	FECE	
COCc1cc(O)ccc1NS(=O)(=O)c1c(C)oc(C)c1C(=O)OC	840915981	VECKZGYOLHJSRM-UHFFFAOYSA-N	369.395	2.336	10	10	FECE	
COCc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)OCCO2	840915974	UYUHVVPCUNRKML-UHFFFAOYSA-N	351.380	2.111	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)C3Cc4ccccc4C3)C2)cc1	849416077	KGDPDXXWYMLZKV-QGZVFWFLSA-N	372.490	2.361	10	10	FECE	
CCc1nn(C)c(CC)c1CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	855224959	MEIVZTJXMRDYJG-HNNXBMFYSA-N	370.497	2.491	10	10	FECE	
COc1ccc(C(=O)N2CCC[C@H]2C(=O)NCc2c(O)cccc2F)cc1	928707803	IRFAKKWEUBLUNU-KRWDZBQOSA-N	372.396	2.461	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](c4nccn4C)C3)C2)cc1	852455233	SXUYVUSCSZBWCM-HOTGVXAUSA-N	369.469	2.207	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]3[C@H]3C[C@@H]34)cc2)CC1	867680975	LBUIUJZYARQVMG-BVJIBDCISA-N	367.493	2.263	10	10	FECE	
OC[C@H]1CCC2(CCOCC2)CN1Cc1ccc(N2CCOCC2)cc1	931168638	NCAJVWQBFGAASC-HXUWFJFHSA-N	360.498	2.277	10	10	FECE	
CO[C@@H]1CN2C(=O)N([C@@H](C)c3ccc(N4CCOCC4)cc3)C(=O)[C@]2(C)C1	865301817	PNDMUGVEGFNZAT-VHFSOBRXSA-N	373.453	2.026	10	10	FECE	
C[C@@H](NC(=O)NCc1nn(C)cc1Br)c1ccccc1O	868671367	YUGYWUMEZIHUOV-SECBINFHSA-N	353.220	2.449	10	10	FECE	
COC(=O)c1cc(O[C@@H]2CCN(CC(F)(F)F)C2=O)ccc1N(C)C	865396125	LDHWXUXUNIUWJY-CYBMUJFWSA-N	360.332	2.081	10	10	FECE	
Cc1ccc(N(CCC(=O)O)S(=O)(=O)c2cccc3nonc23)cc1	776651890	IVLXKGLNKXJRIX-UHFFFAOYSA-N	361.379	2.201	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)NCCC2CS(=O)(=O)C2)cc1	786839098	URFPDWSNVUWYGC-UHFFFAOYSA-N	367.515	2.109	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)N3[C@H](C)C[C@H]3C)CC2)cc1	792007609	OKGCDWFSAGCPGO-IAGOWNOFSA-N	360.502	2.400	10	10	FECE	
Cn1cc(N2CCC[C@@H](NC(=O)c3cc4cc(O)c(O)cc4s3)C2)cn1	896672029	XFXNNHJJLIZOFH-GFCCVEGCSA-N	372.450	2.445	10	10	FECE	
C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)N[C@H](C)c1ccccc1O	1302530175	DBCJLDOBPMZJAX-VXGBXAGGSA-N	352.394	2.264	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](C2CN(C(=O)c3ccc(O)c(O)c3)C2)C1	1886884508	PEOMOAOKCKCGAU-ZDUSSCGKSA-N	362.426	2.427	10	10	FECE	
COc1cc(N2CCN(CC3CCC(O)CC3)CC2)cc(OC)c1OC	1327884870	SEDHUZFJWRFSNX-UHFFFAOYSA-N	364.486	2.386	10	10	FECE	
CN1C[C@H]2[C@@H](NC(=O)NCc3cc(Br)ccc3O)CC[C@H]2C1	1519932082	UPTMLTMDPUQQGM-GDLCADMTSA-N	368.275	2.294	10	10	FECE	
Cn1c(C=O)ccc1C(=O)Nc1c(C2=S=CC=C2)nc2ccccn12	1298821943	QJWHVUZAPKVHFC-UHFFFAOYSA-N	350.403	2.363	10	10	FECE	
CCc1ccc(N2C[C@H](C(=O)NCc3cc(O)ccc3O)CC2=O)cc1	1455349239	PRLOMIGNZXMSAT-OAHLLOKOSA-N	354.406	2.330	10	10	FECE	
CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1Cc1nncn1C	1613171096	VWJDJRBLJGKMRD-ZDUSSCGKSA-N	355.446	2.310	10	10	FECE	
CCOC(=O)[C@@H](c1cccnc1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1	1471821012	SOLKUBIYCGPAMQ-PDFOZTTASA-N	356.378	2.269	10	10	FECE	
Cc1cc(C(F)F)n2ncc(C(=O)NCCc3ccc(O)c(O)c3)c2n1	1636022324	IVLSBMIAUCQXLO-UHFFFAOYSA-N	362.336	2.359	10	10	FECE	
COC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)c1cccc(O)c1O	1645091026	IAWYJKCEAJDQQH-AWEZNQCLSA-N	355.346	2.358	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(C)cc(C=O)c1O	1570515051	YULIPGOTDXYBNY-UHFFFAOYSA-N	371.389	2.424	10	10	FECE	
COc1cc(N2CCN[C@@H](c3ccc(O)cc3)C2)c([N+](=O)[O-])cc1OC	1652185990	BLPXLFNYJLDJSD-CQSZACIVSA-N	359.382	2.469	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)c1	161485572	GOYUOJFBJQGYBK-OLZOCXBDSA-N	373.457	2.491	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@]1(C)CNC(=O)c1cc(O)c(O)c(O)c1	2132410058	KCWJPKKURLXTRP-GOSISDBHSA-N	366.414	2.323	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(Cc2c(O)cccc2F)C1	2136385337	AINUFCBNUBZKEW-FZMZJTMJSA-N	368.405	2.474	10	10	FECE	
Cc1cccc(CNC(=O)[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)c1O	2139742639	WLRRJHZLCYODIR-IBGZPJMESA-N	364.442	2.343	10	10	FECE	
O=C(O)[C@H]1CCN(C(=O)OCc2ccccc2)[C@H]1c1cc(O)nc(O)c1	1952993101	IZAZDBNKPBJQEB-BBRMVZONSA-N	358.350	2.277	10	10	FECE	
O=C(N[C@H]1C[C@@H](NC(=O)c2cccc(O)c2O)C1)OCc1ccccc1	1973027465	ULFBPHXMJVBWQA-OKILXGFUSA-N	356.378	2.285	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](F)CN1C(=O)c1cccc(O)c1O	2054409540	DKVGHMUQNXCAKD-MNOVXSKESA-N	354.378	2.175	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H](CCNCc2cccc(O)c2O)C1	2060834049	QEEMEAJWUAKXNH-CQSZACIVSA-N	352.431	2.213	10	10	FECE	
COc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)cc1C	2063348885	RRHHBPZUDSQGKF-CVEARBPZSA-N	350.459	2.464	10	10	FECE	
CC(C)(C)OC(=O)NC1(CNC(=O)Nc2ccc(N)cc2)CCOCC1	2106290599	QPFMFMSBECURBU-UHFFFAOYSA-N	364.446	2.464	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CO)C2)c(OC)c1	2226805629	PBFCSDIXBFVXJN-HIFRSBDPSA-N	366.458	2.416	10	10	FECE	
CCOc1ccc(C=C2SC(=S)N([C@@H](C(=O)O)[C@@H](C)O)C2=O)cc1	2318683886	KNLLQGNCXQHKRS-NOZJJQNGSA-N	367.448	2.121	10	10	FECE	
CC(C)(C)OC(=O)N1CC(OCCNCc2cc(F)cc(F)c2O)C1	2315575784	YCUONWTYDBWAJM-UHFFFAOYSA-N	358.385	2.396	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2CNCc1cc2c(cc1O)OCO2	2333090920	ITQITXIZOFSCAI-IHRRRGAJSA-N	362.426	2.466	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CC[C@@H](N2CCCC2)C1	108795000	ILTWSWXWRUWDGB-MUPIXQSSSA-N	355.482	2.233	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCc4ccc([N+](=O)[O-])cc4C3)cc2N1	301687829	WCNATEOFKIJEPX-UHFFFAOYSA-N	370.321	2.397	10	10	FECE	
O=C(NCc1csc(=O)[nH]1)c1cccc2c1C(=O)c1ccccc1C2=O	122842828	CVIBTEDSUJMNPX-UHFFFAOYSA-N	364.382	2.142	10	10	FECE	
C[C@H](C(F)(F)F)S(=O)(=O)N(C)Cc1ccc(N2CCOCC2)cc1	182349936	WHCOOOMJOFASMX-GFCCVEGCSA-N	366.405	2.236	10	10	FECE	
N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1cccc(Br)c1	40458412	SXCCEQGEKQKMAG-LBPRGKRZSA-N	351.200	2.369	10	10	FECE	
CCO[C@@H]1C[C@@H](NC(=O)NCc2cc(Br)ccc2O)[C@H]1OC	805311835	ZUTYHOIYGIYTPR-MRVWCRGKSA-N	373.247	2.146	10	10	FECE	
CC(C)CN1C[C@H](C(=O)NCc2cc(Br)ccc2O)CC1=O	804738957	KMATUSRJGZFJSS-GFCCVEGCSA-N	369.259	2.275	10	10	FECE	
COc1nn(C)cc1NC(=O)NCc1cc(Br)ccc1O	806451499	NUAQXTAQNHGSPN-UHFFFAOYSA-N	355.192	2.219	10	10	FECE	
CO[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC[C@@H]1C	823538223	UTYLAUHKUCMORK-HNAYVOBHSA-N	361.486	2.214	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)Cc1ccc(O)c(O)c1	1446996836	USJPXZWTOKDMIA-CHWSQXEVSA-N	364.442	2.497	10	10	FECE	
CN(C)c1ccc(CN(C(=O)[C@]23C[C@H]4C[C@@H](C(=O)N2)[C@H]3C4)C2CC2)cc1	844318483	OKRORFHQVOXCKH-QMLHBMHXSA-N	353.466	2.158	10	10	FECE	
O=C(NCc1c(O)cccc1F)N[C@@H]1CCN(Cc2ccccc2)C1=O	915170921	GZESBSBRNBUXCS-MRXNPFEDSA-N	357.385	2.132	10	10	FECE	
O=C(c1ccc2c(n1)OCCO2)N(Cc1ccccc1O)C[C@H]1CCCO1	847604074	IYRRZGPABKWUIN-OAHLLOKOSA-N	370.405	2.380	10	10	FECE	
COC1CCN(c2ccc(CN3C[C@H](C)N(CCO)C[C@H]3C)cc2)CC1	842164055	UGSHOUVORWSLRN-ZWKOTPCHSA-N	361.530	2.189	10	10	FECE	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cnc(C)[nH]2)cc1	740813043	OYFABOZLPLJJQO-UHFFFAOYSA-N	372.472	2.061	10	10	FECE	
CO[C@@H](CS(=O)(=O)Nc1cc(Cl)c(O)cc1F)C1CCOCC1	842586276	OXSQAHMWESIZEF-AWEZNQCLSA-N	367.826	2.368	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](CCO)c3ccco3)C2)cc1	854298377	BVLJUQNPZTUIBL-PBHICJAKSA-N	359.426	2.290	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@]3(c4ccccc4)CCNC3)C2)cc1	851639361	DNXMYXBJNNKFHD-PGRDOPGGSA-N	365.477	2.321	10	10	FECE	
O=[N+]([O-])c1cc(CN2CCN3CCOC[C@H]3C2)ccc1N1CCCCC1	757930159	JFEOVMWGEKBDDW-QGZVFWFLSA-N	360.458	2.102	10	10	FECE	
COC[C@@]1(C(=O)OC)CCCN1C(=O)c1cc(C)n(-c2ccccn2)c1C	855374027	CKWCKXALIKGZJF-HXUWFJFHSA-N	371.437	2.283	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCC[C@H]3CCCN(C)C3)C2)cc1	852377838	FEHAOCOLNVSWDY-IAGOWNOFSA-N	360.502	2.305	10	10	FECE	
CO[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(O)cc1	765984002	XVDVNHAMUVLYSL-IBGZPJMESA-N	356.422	2.233	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNc3nc4cnccc4n3C)cc2)CC1	865714666	BCCMTKWEEPAGJD-UHFFFAOYSA-N	364.453	2.249	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C[C@@H]3C[C@H]3C3CC3)cc2)C1	878350335	KLZQTZADUWQOBF-AOIWGVFYSA-N	355.482	2.441	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@]2(C1)C(=O)NCCN2CCCCN=[N+]=[N-]	1879803222	CLXBHFWWYDWDQA-QGZVFWFLSA-N	366.466	2.278	10	10	FECE	
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1	1312318836	ZINNIFYUNJIQCF-MSOLQXFVSA-N	358.486	2.343	10	10	FECE	
CCC(CC)[C@@H](O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1256237146	SACZWMWQPHRWJY-OALUTQOASA-N	364.534	2.452	10	10	FECE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	1262110618	IZCINODOFSEGDH-WEZQJLTASA-N	355.482	2.297	10	10	FECE	
Cc1ccc(N2CCC[C@H](NC(=O)Cc3ccc(O)c(O)c3)C2=O)cc1	1444894474	ILEAWZWIAFYMIJ-INIZCTEOSA-N	354.406	2.261	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2nc(S(C)(=O)=O)ccc2Cl)cc1	1524854876	ZDNJJKBDJUVWAV-UHFFFAOYSA-N	367.858	2.135	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1cccc(CN2CCC(O)CC2)c1	1294101274	YSNVTMCXUAOUCN-UHFFFAOYSA-N	356.422	2.236	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)[C@H]3CCc4ccccc4O3)cc2)CC1	1536934482	VLLQKNNKLZUUTH-OAQYLSRUSA-N	365.477	2.448	10	10	FECE	
C[C@@H]1CN=C(N2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC2)S1	1565742091	XQYYCNVNPVMMBA-LLVKDONJSA-N	360.443	2.098	10	10	FECE	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3ccc(O)cc3O)c12	1638352464	PBWFYXYCLLTIIY-UHFFFAOYSA-N	352.394	2.495	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(CC2CC2)n1CC(=O)NCC1CC1	1767112775	DKDYHRBJRDIMGU-UHFFFAOYSA-N	369.469	2.099	10	10	FECE	
CCCN1CCC[C@H]1CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1	1672505075	FMFOQCJLLOAEHM-FQEVSTJZSA-N	373.545	2.112	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)NC[C@@H]2CCCCN2C)N(C)C)cc1	1685545029	AEBXTOLZLHZYQG-OALUTQOASA-N	361.534	2.139	10	10	FECE	
CCOc1cccc(/C=C2\SC(=S)N(C)C2=O)c1OCC(=O)O	15415742	UIMBCUHFSRHPJZ-XFFZJAGNSA-N	353.421	2.380	10	10	FECE	
O=C(NC1CCN(C(=O)Oc2ccccc2)CC1)c1cc(O)c(O)c(O)c1	169881947	QTGFUYKQJVNFSB-UHFFFAOYSA-N	372.377	2.197	10	10	FECE	
CCC[C@@H](C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)N(C)C	153348026	YQMSTZUWILWDCI-IBGZPJMESA-N	364.509	2.314	10	10	FECE	
O=C(OCc1ccccc1)N1CC(CNCCc2ccc(O)c(O)c2)C1	1914314772	HRMCETPFGLIYQZ-UHFFFAOYSA-N	356.422	2.499	10	10	FECE	
Cc1ccc(CN=c2nc(C3CN(C(=O)OC(C)(C)C)C3)[nH][nH]2)c(O)c1	2139770579	KVLAEILFPYMSRQ-UHFFFAOYSA-N	359.430	2.187	10	10	FECE	
C[C@H](NCCN(C[C@@H](C)O)C(=O)OC(C)(C)C)c1c(O)cccc1O	310604258	BOQGIMPIHPBCSH-OLZOCXBDSA-N	354.447	2.366	10	10	FECE	
CN(C[C@H](O)COc1ccc(N)cc1)[C@@H]1CCN(Cc2ccccc2)C1	311495402	VOWMAGOOFHJBJG-UXHICEINSA-N	355.482	2.215	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NCc1ccc2c(c1)CCO2	387866691	SBOCCSQOHOTKLH-RANZSIQMSA-N	360.454	2.392	10	10	FECE	
CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2064341147	DLSFSJFEGGORCN-STQMWFEESA-N	355.439	2.201	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN2C(=O)CCOc1ccc(N)cc1	2106700335	YSUQWGYCEBGEIK-CABCVRRESA-N	361.442	2.258	10	10	FECE	
C[C@H]1CN(Cc2cc(N)ccc2O)CC2(CN(C(=O)OC(C)(C)C)C2)O1	2272818892	VOTPMUXRYLPLSS-ZDUSSCGKSA-N	363.458	2.185	10	10	FECE	
CC(=O)Oc1ccccc1C=C1SC(=S)N(CCC(=O)O)C1=O	2314842372	SIKNKMPBUSOILB-UHFFFAOYSA-N	351.405	2.288	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)C2	2310347709	MPFZJIJANKXVFJ-SZQRGFMASA-N	350.459	2.430	10	10	FECE	
COC[C@@]1(C(=O)N2CC[C@H](N=[N+]=[N-])C2)C=CCN1C(=O)OC(C)(C)C	2314782193	VRIMHWGIVMVLHA-BLLLJJGKSA-N	351.407	2.090	10	10	FECE	
COc1ccc(O)c(CNC(=O)Cc2ccc(N3CCCC3=O)cc2)c1	114544184	DZPZQXKSBGJBPO-UHFFFAOYSA-N	354.406	2.387	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCc3c(F)cc(F)cc32)c1	179444017	LQHHPKZRBVSWNQ-UHFFFAOYSA-N	368.361	2.245	10	10	FECE	
Cc1ccc(O)c(CNCCNS(=O)(=O)c2ccc(Cl)s2)c1	127892784	RLLOBUDFZYEGNU-UHFFFAOYSA-N	360.888	2.484	10	10	FECE	
C[C@H]1OCCC[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	188494273	YWPCTXKSEKUEIB-CZUORRHYSA-N	350.434	2.218	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)NC[C@@H]1CCCC[C@@H]1O	77780364	JKQYZELDOBRCRD-YJBOKZPZSA-N	365.449	2.013	10	10	FECE	
C[C@H](N[C@H](C)[C@@H](C)N1CCOCC1)c1ccc(N2CCC(O)CC2)cc1	133975186	QQSUZBIEHORCJL-FGTMMUONSA-N	361.530	2.408	10	10	FECE	
CC(=O)N(C(C)=O)S(=O)(=O)c1ccc(N=NN2CCCCC2)cc1	254301502	PSBCBIWXUCBOJL-UHFFFAOYSA-N	352.416	2.255	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H](C)[C@@H](C)CO)cc2F)C[C@@H](C)O1	265891839	VKCJWZKZHMMORA-BYNSBNAKSA-N	367.465	2.255	10	10	FECE	
C[C@@H]1COCC[C@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	277373439	FVNHTJNAVDWDSZ-DNVCBOLYSA-N	361.486	2.120	10	10	FECE	
c1cc(N2CCOCC2)ccc1Cn1cc(CO[C@H]2CCCCO2)nn1	900605677	VGLQRMDKIDBUPJ-IBGZPJMESA-N	358.442	2.206	10	10	FECE	
COc1ccc(N2CCN(C(=O)Cn3ncc4ccccc43)CC2)cc1	730447744	HLBVZCCIDUOLRF-UHFFFAOYSA-N	350.422	2.394	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1C[C@H]2COC[C@@H](C1)C2=O	839917629	FYKRJKXVAONZIU-CCNLRDMRSA-N	358.482	2.350	10	10	FECE	
Nc1ccc(CC(=O)N2CCn3c(Cc4ccccc4F)nnc3C2)cc1	846688394	LEVMTWCWBGWSGC-UHFFFAOYSA-N	365.412	2.175	10	10	FECE	
CCOc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)nc1C	850360021	BIXAQJSWMVZKRS-UHFFFAOYSA-N	374.416	2.249	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3c4ccccc4C[C@H]3O)C2)cc1	854301457	POVPUSKZFDLUHV-YSGRDPCXSA-N	367.449	2.231	10	10	FECE	
O=C1N=C(N2CCOCC2)S/C1=C/c1ccnn1CCc1ccccc1	857201444	BNCIZDKFIAULLZ-SAPNQHFASA-N	368.462	2.428	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cncc(OC)c1C	868966614	TXDSCMYTJLHIDJ-UHFFFAOYSA-N	358.394	2.310	10	10	FECE	
O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1O	862526726	ZBNLUMPZSMTMGP-NEPJUHHUSA-N	360.819	2.105	10	10	FECE	
Cc1ccc(C(=O)NCC2(OCCO)CCC(F)(F)CC2)c(O)c1O	862743784	VSRISNHGJPRHRO-UHFFFAOYSA-N	359.369	2.093	10	10	FECE	
COC(=O)c1c(CN2CCC[C@H]2C(=O)NC2CC2)c2cc(F)ccc2n1C	893953299	BUSDCOOLSOQBSX-KRWDZBQOSA-N	373.428	2.347	10	10	FECE	
CN1CCCc2cc(CNC(=O)C(=O)NCC[C@@H]3CC(C)(C)CO3)ccc21	897582918	DDOMJWBLABNCCZ-QGZVFWFLSA-N	373.497	2.007	10	10	FECE	
COc1cc(O)c(CNC[C@@H]2CCC3(CCOCC3)CO2)cc1OC	895535947	FXVCEAIZOFCRAB-HNNXBMFYSA-N	351.443	2.475	10	10	FECE	
C[C@H](NC(=O)C(=O)NC1CC2(C1)CC2(F)F)c1ccc(N(C)C)cc1	1328034937	GQDVCBOLFMGXQV-BLQFLSLASA-N	351.397	2.234	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@]3([C@@H]4CCCCO4)CCCO3)CC2)cc1	1356446964	QTFHJVFRFFVKEA-FPOVZHCZSA-N	374.481	2.462	10	10	FECE	
O=C(NCc1cccc(O)c1O)[C@H]1CCC(=O)N(c2cccc(F)c2)C1	1350299564	DQQSAYBSKFWVOK-ZDUSSCGKSA-N	358.369	2.296	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)c3nn(CC)cc3[N+](=O)[O-])CC2)cc1	1466208741	PDAHFPFUZBJQIS-UHFFFAOYSA-N	373.413	2.172	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)CCCCCO)cc2F)CC1	1627360890	WKCNGXWFHYJSOC-UHFFFAOYSA-N	351.466	2.137	10	10	FECE	
CN(C(=O)Cc1ccc(O)c(O)c1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1	1556284685	KZYRQOTYPRRUOG-AWEZNQCLSA-N	364.442	2.402	10	10	FECE	
O=C(NCCOc1ccc(C(F)(F)F)cn1)c1c(F)ccc(O)c1O	1558951349	HWRHCQBTFJLJKT-UHFFFAOYSA-N	360.263	2.460	10	10	FECE	
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCN(c2ccc(OCC)cc2)CC1	1636706601	BZCPQXURXBEPKJ-ZWKOTPCHSA-N	360.454	2.323	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)NCc2cccc(O)c2O)[C@H]2C[C@H]21	1633515902	VUDODZBBJTYFFC-RFQIPJPRSA-N	362.426	2.263	10	10	FECE	
CS(=O)(=O)c1cc(C(=O)N2Cc3cccc(O)c3C2)c(Cl)cn1	1632709147	MGEMRCCIZVUZSZ-UHFFFAOYSA-N	352.799	2.000	10	10	FECE	
C[C@H](CNC(=O)[C@@]12CCC[C@@H]1C2)NC(=O)c1ccc(N=NC(N)=O)cc1	1720929656	OOHDGFPBFLFBPY-AEDCBLDQSA-N	357.414	2.274	10	10	FECE	
C[C@@H](C(=O)NCc1cc(O)ccc1O)N1CCN(c2ccc(F)cc2)CC1	1643882121	NVRJOLFRJIUJPR-AWEZNQCLSA-N	373.428	2.064	10	10	FECE	
CC(C)(C)OC(=O)NCC(F)(F)CC(=O)NCc1c(O)cccc1O	1647290782	SBROAKYPAMOYOT-UHFFFAOYSA-N	360.357	2.264	10	10	FECE	
COC(=O)c1coc(CN2CCN(c3ccc(OC)cc3OC)CC2)c1	1659857658	XJSGVMOIYWTRAE-UHFFFAOYSA-N	360.410	2.406	10	10	FECE	
COc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)cc1C	1651452864	PZNMKYKSARHOFX-JKSUJKDBSA-N	350.459	2.464	10	10	FECE	
CCOCCCNC(=O)C1CCN(Cc2ccc(OC)cc2O)CC1	153216507	UFKZFOGJOYBKJA-UHFFFAOYSA-N	350.459	2.156	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCCCF	2136260355	CCYBVYOEHWGFMJ-ZDUSSCGKSA-N	370.421	2.400	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCO1	1968856804	CPDDBIWTFKZTQN-CVEARBPZSA-N	364.442	2.423	10	10	FECE	
C[C@@H](N)c1ccc(N2CCC[C@H](S(C)(=O)=O)C2)c(Br)c1	312809561	LKDYRCKIXYKUKS-PWSUYJOCSA-N	361.305	2.482	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)c2ccc(O)c(O)c2)C1	2054418383	SMPBEMXGKPFJJF-GFCCVEGCSA-N	350.415	2.475	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC[C@](C)(CO)NC(=O)OC(C)(C)C)c1	2060805970	IWXLOGMPHUILLW-KZULUSFZSA-N	354.447	2.327	10	10	FECE	
COC[C@](C)(NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccccc1O	2072476235	KHVDFCHWISLHOK-SGTLLEGYSA-N	352.431	2.499	10	10	FECE	
Cc1cccc(N)c1N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1S(C)(=O)=O	2072517405	JTCWKUJMCVDRIF-KBPBESRZSA-N	369.487	2.022	10	10	FECE	
CN1CCc2cc([C@H](N)[C@]3(O)CC[C@H](NC(=O)OC(C)(C)C)C3)ccc21	2106851486	UOLZPUAYDLFLRH-KNBMTAEXSA-N	361.486	2.487	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Nc1c(N)cccc1C(N)=O	2108835857	YJBFBSQFXHGMQH-PKIAMQTDSA-N	360.458	2.471	10	10	FECE	
Cn1nc(CNC(=O)OC(C)(C)C)cc1C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-]	2225801475	VGQKALWGWXHGFQ-NWDGAFQWSA-N	363.422	2.406	10	10	FECE	
CC(C)[C@H](C(=O)O)N1C(=O)C(=C2C(=O)Nc3ccccc32)SC1=S	2293091930	IVAGRMBXBDRWGL-LLVKDONJSA-N	362.432	2.319	10	10	FECE	
COc1cccc(N2C(=O)NC(=O)C(=Cc3ccc([N+](=O)[O-])s3)C2=O)c1	2296400342	UMWKECNWLQGLGP-UHFFFAOYSA-N	373.346	2.331	10	10	FECE	
C[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]1(C(=O)O)N(C)Cc1ccccc1O	2323714746	MTBHCBUSJJLRIU-KPZWWZAWSA-N	350.415	2.287	10	10	FECE	
COc1cc(N=NN2CCN(c3ncccn3)CC2)cc(OC)c1OC	2330246165	JSZGWXPWWLKESU-UHFFFAOYSA-N	358.402	2.323	10	10	FECE	
COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)c1cc(C)n(-c2ccccc2)c1C	111144450	UUFKILRWHWAFOT-SJLPKXTDSA-N	356.422	2.497	10	10	FECE	
CCOCCN1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H]1C	117486828	ZSAXZJCZRRYDGO-OAHLLOKOSA-N	366.481	2.144	10	10	FECE	
O=C(N=c1nc(-c2ccsc2)[nH]s1)NCCc1ccc(O)c(O)c1	365559887	KVNNYEODCMVCDR-UHFFFAOYSA-N	362.436	2.464	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CC[C@H](C(=O)N3CCCC3)C2)c([N+](=O)[O-])c1	286829408	XZJMNVFTQCJSQK-ZKKXHLJNSA-N	373.409	2.230	10	10	FECE	
Cc1ccc(CN2CC[C@H](CS(C)(=O)=O)C2)c(O)c1Br	2380709617	YUOKAPGSTZWOFW-NSHDSACASA-N	362.289	2.330	10	10	FECE	
CN(CC1(CO)CC1)C(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	297866622	NKDQJTPIKNEOHZ-UHFFFAOYSA-N	374.481	2.284	10	10	FECE	
CC(=O)c1cc(F)cc(CN[C@H](c2cnn(C)c2)C2(CO)CCC2)c1O	821288382	QXQGCCGKKBWGJI-GOSISDBHSA-N	361.417	2.461	10	10	FECE	
O=C(NCC(F)F)[C@@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1	825067634	ACGMPSMZXWNAQA-KRWDZBQOSA-N	367.440	2.259	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)COCCOc3ccccc3)C2)cc1	855231230	ISQCTLHGNUCOKW-QGZVFWFLSA-N	370.449	2.486	10	10	FECE	
CCCN(CCC)c1ccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2OC)cc1	850359259	BTXMZGZIEMMIKI-MSOLQXFVSA-N	354.516	2.215	10	10	FECE	
COc1ccc(O)c(CNS(=O)(=O)C[C@H](OC)c2ccc(F)cc2)c1	859008971	WPXSSRUWLCZZJI-KRWDZBQOSA-N	369.414	2.347	10	10	FECE	
Cc1cc(N2CCC(NC(=O)NCc3c(O)cccc3F)CC2)nc(C)n1	921339355	CEIIOQAKUSUOSM-UHFFFAOYSA-N	373.432	2.406	10	10	FECE	
COc1ccc(N2CCCN(C(=O)N[C@H]3C[C@@H](C)n4ncnc43)CC2)cc1	852477639	VBGCLSFDQWUPJH-PBHICJAKSA-N	370.457	2.214	10	10	FECE	
Cc1nc(-c2cccc(NS(=O)(=O)c3cccc4nonc34)c2)no1	765059289	BJNFZCWMBOBJMW-UHFFFAOYSA-N	357.351	2.382	10	10	FECE	
COC(=O)c1ccoc1S(=O)(=O)NCc1ccc(N2CCCC2)cc1	866485839	YCWWHNNJDSFFEQ-UHFFFAOYSA-N	364.423	2.145	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H]2CSC[C@@H]2C1	867423592	JHVZKGRQOMNSAR-HOTGVXAUSA-N	362.495	2.342	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1C[C@H]1C1CCOCC1	1119003735	LCLUNXQSXYJXOZ-ROUUACIJSA-N	374.481	2.310	10	10	FECE	
C[C@H](NC(=O)C1=C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O	1877573991	QYAJSZKCUMPYOO-SGIREYDYSA-N	362.426	2.154	10	10	FECE	
Cn1cc(N2CCN(C(=O)c3cc4cc(O)c(O)cc4s3)CC2)cn1	896789469	DJUVZYXPZXILLV-UHFFFAOYSA-N	358.423	2.008	10	10	FECE	
Cc1ccc(C(=O)N[C@H](C(=O)NCc2cc(O)ccc2O)C(C)C)cc1	1303223119	AUFDKMKZFJFSHJ-SFHVURJKSA-N	356.422	2.477	10	10	FECE	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@H]2CNC(=O)C2)cc1	1312869192	XGSLOAVLMAPERJ-MRXNPFEDSA-N	370.453	2.194	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCCN3CCC(C)(C)C3)C2)cc1	1312995298	UYBYYJGGZMSUPY-MRXNPFEDSA-N	360.502	2.305	10	10	FECE	
C[C@H](N[C@H](C)c1ccc(O)cc1O)C1(O)CN(C(=O)OC(C)(C)C)C1	1918666899	BDMUTYKACHZDMQ-NEPJUHHUSA-N	352.431	2.119	10	10	FECE	
COC(=O)c1ccc2c(c1)N(C(=O)/C=C/c1cnc(OC)nc1)CCC2	1289078214	PYCSNAFETYJNFE-VMPITWQZSA-N	353.378	2.264	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)Nc2ccc(N)cc2)C[C@H]1O	2116204457	BSTVYTRYAYKGNN-NILFDRSVSA-N	364.446	2.055	10	10	FECE	
CCN(CC)c1ccc(Cn2c(C)nnc2N2CCN(C)C(=O)[C@@H]2C)cc1	1295410081	IEMXFVYRBJPZDA-HNNXBMFYSA-N	370.501	2.148	10	10	FECE	
CNC(=O)[C@H](C)CN(C)c1nnc(C)n1CCCSc1nccs1	1711295778	BCHKZAIFUBCTAZ-LLVKDONJSA-N	368.532	2.044	10	10	FECE	
COc1ccc(N2CCCN(c3nnc(C)n3C[C@@H](C)N(C)C)CC2)cc1	1554959871	RSEOGTHCFXPDDY-MRXNPFEDSA-N	372.517	2.262	10	10	FECE	
CCOC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)c1ccc(N=NC(N)=O)cc1	1645091889	OPOSVCGHLBLECP-UONOGXRCSA-N	362.386	2.080	10	10	FECE	
COC(=O)C1(NC(=O)OC(C)(C)C)CC(NCc2c(O)cccc2F)C1	1966017977	GGCVARLXIQBGNY-UHFFFAOYSA-N	368.405	2.220	10	10	FECE	
COc1ccc(CN[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C2CC2)cc1C	1690160394	GDZFIJHTRZQLTC-TYIKBYNUSA-N	370.493	2.411	10	10	FECE	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)NN1CCN(C)CC1	17074133	XJGRWCRZXHRMTR-NBVRZTHBSA-N	359.449	2.354	10	10	FECE	
CCOCCN1CCN(Cc2cc(OC)c(OC)cc2O)C[C@H]1CC	160257199	SUNMDYPLNJGHKJ-MRXNPFEDSA-N	352.475	2.342	10	10	FECE	
CN[C@@H](c1ccccc1O)[C@](O)(CCCNC(=O)OC(C)(C)C)COC	1920623949	JIIYVOUNIUESGZ-LPHOPBHVSA-N	368.474	2.335	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NCc2ccccc2O)CC1	1921700961	DFGQNROGNCMRJA-JKSUJKDBSA-N	350.459	2.490	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CNCc2ccc(O)c(O)c2O)C1	2031659912	IKSSWNBNEUWXEK-SGTLLEGYSA-N	350.415	2.150	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCN(Cc4ccccc4)CC3)cc2N1	301588251	BYVBUJUHBTZISD-UHFFFAOYSA-N	368.393	2.248	10	10	FECE	
CS(=O)(=O)C[C@@H]1CCCN(c2ccc(CN)c(Br)c2)C1	312852698	QPBWOPOIBLZUQL-LLVKDONJSA-N	361.305	2.169	10	10	FECE	
CC1(CCNC(=O)c2ccc(O)c(O)c2)CN(C(=O)OC(C)(C)C)C1	2059315071	UOKYRMOGGGACDS-UHFFFAOYSA-N	350.415	2.475	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COC[C@]1(C)C(=O)NCC1(CN=[N+]=[N-])CC1	2060632484	BMHXOMXIFMUFEA-NHYWBVRUSA-N	353.423	2.123	10	10	FECE	
C[C@@](NC(=O)C(F)(F)F)(C(=O)N1CC[C@@H](CN=[N+]=[N-])C1)C(F)(F)F	2060640737	YEUJCGIDRJEEAX-IMTBSYHQSA-N	361.246	2.145	10	10	FECE	
C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(CCCOc2ccc(N)cc2)C1	2106753612	JVMQNLOLNHWSSR-JSGCOSHPSA-N	359.392	2.427	10	10	FECE	
COc1ccc(N(C)CC(=O)CCN2C(=O)c3ccccc3C2=O)cc1	2210628732	XWQITQGNPSDBCC-UHFFFAOYSA-N	352.390	2.387	10	10	FECE	
CCn1nnc2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc21	60389847	IHAVUCHKKQQNRT-UHFFFAOYSA-N	365.437	2.422	10	10	FECE	
NS(=O)(=O)c1ccc(/N=N\c2c(CC(=O)O)nc3ccccn23)cc1	71581217	JEUAMHBUKXKGLO-HNENSFHCSA-N	359.367	2.024	10	10	FECE	
COc1ccc(CN(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c(O)c1	92585822	AUARQOMRSIUOEG-LBPRGKRZSA-N	350.440	2.241	10	10	FECE	
CC(C)OC(=O)c1c(NC(=O)[C@H]2CNC(=O)C2)sc2c1CCCC2	194802674	UMRIPCAXNMUHLW-SNVBAGLBSA-N	350.440	2.267	10	10	FECE	
COc1ccc(N2CCC(N[C@H](C)C3(S(C)(=O)=O)CC3)CC2)cc1	370738884	IPBYJIZXLBMOCP-CQSZACIVSA-N	352.500	2.219	10	10	FECE	
C[C@H]1C[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)CN1Cc1ccccc1	398222179	SUYXTBVNOJBEAH-HNAYVOBHSA-N	359.495	2.351	10	10	FECE	
COc1ccc(O)c(CNC(=O)NCCCNC(=O)OC(C)(C)C)c1	734071762	XNOWBGJQDHHSAM-UHFFFAOYSA-N	353.419	2.115	10	10	FECE	
COCc1cc(NC(=O)NCc2cccc(Br)c2O)ncn1	765316414	KZQOWDZBBCZJDK-UHFFFAOYSA-N	367.203	2.413	10	10	FECE	
COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCCC3CC3)CC2)cc1	778286320	XFNITFWDDQGJMC-ZHACJKMWSA-N	371.481	2.206	10	10	FECE	
Cc1cc(Br)c(O)c(CN(C)[C@H](C)CS(C)(=O)=O)c1	781913255	RJNCGGLVGFOIHJ-SNVBAGLBSA-N	350.278	2.328	10	10	FECE	
CN1CCC(NC(=S)NCc2cc(Br)ccc2O)CC1	795156523	VNULBXJXFHQKPI-UHFFFAOYSA-N	358.305	2.213	10	10	FECE	
C[C@H](NC(=O)C1CCCC1)C(=O)NCc1cc(Br)ccc1O	804735238	RJMKPPUMMHKOKU-JTQLQIEISA-N	369.259	2.466	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)N[C@H]1CCn2ccnc2C1	805309945	JPKBLSHUFJZFBB-LBPRGKRZSA-N	365.231	2.165	10	10	FECE	
C[C@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)c1cscn1	827580985	YFNZNNRRQUYKDP-LBPRGKRZSA-N	358.467	2.019	10	10	FECE	
CCS(=O)(=O)N1CCN(C/C=C/c2ccc(N(C)C)cc2)[C@H](C)C1	835054186	RZZMBTVHDLGHMS-FYCOFBDGSA-N	351.516	2.122	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)c3[nH]ccc3C3CC3)cc2)CC1	837570041	YDUOSIBWCYAOER-UHFFFAOYSA-N	366.465	2.491	10	10	FECE	
CN(C)c1ccc(CNC(=O)N2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1F	838029898	RYIKVJMCMZJYCM-FZMZJTMJSA-N	363.355	2.346	10	10	FECE	
C[C@H](NC(=O)N[C@@H]1CCC[C@@H](CO)C1)c1ccc(N2CCOCC2)cc1	840271859	PWIAWCMOACSCCJ-LZLYRXPVSA-N	361.486	2.435	10	10	FECE	
COc1ccccc1[C@H]1CNCCN1Cc1ccc([N+](=O)[O-])c(OC)c1O	843113256	QGTRGGLHFYLNFT-MRXNPFEDSA-N	373.409	2.464	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)Cc2cn(C)nc2Cl)cc1	844855844	BGJJRCAUVFIRQC-UHFFFAOYSA-N	350.850	2.219	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cncc2c1CCCC2	850432643	CQTDQJKXDNKREJ-LBPRGKRZSA-N	369.421	2.058	10	10	FECE	
COc1ccc(N2CC[C@@H](Nc3ncnc4c3NC(=O)CS4)C2)cc1	853758627	ITCOLYJHIQKQRT-LLVKDONJSA-N	357.439	2.220	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3nc(C(C)(C)C)n[nH]3)C2)cc1	854146261	HSMLCYIEFHKPEH-ZDUSSCGKSA-N	372.473	2.189	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CCn4cc(C)nc4C3)C2)cc1	854300411	ZFGOASBSVOGTPD-OAHLLOKOSA-N	355.442	2.004	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCCn1ccnn1	860759292	CKIPVAXLROCSGA-UHFFFAOYSA-N	351.410	2.318	10	10	FECE	
C[C@]1(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCCS1	862278401	CBUFPICTXYDRRL-QGZVFWFLSA-N	354.541	2.297	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)NCc2ccccc2O)C1	866755555	MMFKJSMKYZVZHX-GOSISDBHSA-N	350.415	2.034	10	10	FECE	
CCn1c(C(=O)NCc2ccc(OC)cc2O)cnc1Br	907925731	IHIPRXPFWFJULL-UHFFFAOYSA-N	354.204	2.310	10	10	FECE	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2CC[C@@H]2C(=O)O)cc1	911110177	HODZTMUXFUZJKI-KSZLIROESA-N	360.454	2.371	10	10	FECE	
Cc1nc([C@@H]2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)C2)no1	919909716	WVVMNSWOYUUXMA-MRXNPFEDSA-N	353.426	2.453	10	10	FECE	
C[C@H](c1ccccc1)[C@H](NCc1ccc(N2CCOCC2)cc1)C(N)=O	930537501	BNCPRBPVRYKQHO-UZLBHIALSA-N	353.466	2.270	10	10	FECE	
CCN1C(=O)NC(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O	1083921033	AJPBXLIUZDYFBU-LCYFTJDESA-N	355.306	2.337	10	10	FECE	
Cc1cc(C)cc(-n2c(C)cc(C(=O)Nn3ccc(O)nc3=O)c2C)c1	1149617907	VZGJZMKCGMOFCI-UHFFFAOYSA-N	352.394	2.357	10	10	FECE	
CCN1C[C@H](CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC1=O	1252724767	GZWPRYDZVSIIDM-KRWDZBQOSA-N	358.486	2.297	10	10	FECE	
Cc1cc(C(F)(F)F)n2nc(C(=O)NCc3c(O)cccc3O)cc2n1	1304053116	CVZZMSSRQZDXEM-UHFFFAOYSA-N	366.299	2.398	10	10	FECE	
CCOC(=O)c1csc(CCNC(=O)NCc2c(O)cccc2F)n1	1312514473	AEXOJKXUWSMWKM-UHFFFAOYSA-N	367.402	2.206	10	10	FECE	
O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)N1Cc2cccc(O)c2C1	1341266914	ZECJFLBKFHPPIP-UHFFFAOYSA-N	373.434	2.381	10	10	FECE	
CN(C)CCOc1ccc(CCC(=O)NCc2cccc(O)c2O)cc1	1349079862	URRHCRIZGUNLFH-UHFFFAOYSA-N	358.438	2.287	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1CCS(=O)(=O)CC1	1351671746	AENRYVICXZUXFO-UHFFFAOYSA-N	350.484	2.070	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(F)c(O)c3)cc2)C1	1464358256	APTPVRIYWAVUKO-HNNXBMFYSA-N	371.412	2.163	10	10	FECE	
COC[C@H](F)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1O	1518754708	YEIZZRAKOIQADX-OAHLLOKOSA-N	374.420	2.005	10	10	FECE	
O=C(CCC(=O)c1ccc2c(c1)CCC(=O)N2)NCc1cc(O)ccc1O	1593873287	NONQQASTBPVNQG-UHFFFAOYSA-N	368.389	2.262	10	10	FECE	
CO[C@H](CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@@H]1CCOC1	1674312153	PGAMGNCBOBXJAQ-IEBWSBKVSA-N	361.486	2.480	10	10	FECE	
CN(C)c1ccc([C@@H](CN)N2C[C@@H]3C[C@H](C2)N3C(=O)OC(C)(C)C)cc1	1880605785	NWVHAUZBEGPVBA-FGTMMUONSA-N	360.502	2.446	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@@](C)(O)C(C)(C)N	1952209055	PYJPROXFDNDQDG-KBXCAEBGSA-N	354.447	2.022	10	10	FECE	
CC(C)[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)Cc1ccc(N)cc1	2044253897	XVDMHMAVHDIGDV-OAHLLOKOSA-N	371.503	2.238	10	10	FECE	
CO[C@H]1C[C@@H](C(=O)N2CCC[C@H](N=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060611341	RWTPECYGXDWXKT-AVGNSLFASA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)N2CC[C@H](N=[N+]=[N-])C2)C1	2060618017	UQUMULGHQQCYOF-WQGACYEGSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@@H](N=[N+]=[N-])C1)C1(O)CCC1	2067740129	NPUYFGDQFXLEMA-NEPJUHHUSA-N	353.423	2.096	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](CNCc2ccc(O)c(O)c2O)COC1(C)C	2103044531	WIACNSXLMGYQAQ-GFCCVEGCSA-N	368.430	2.265	10	10	FECE	
C[C@@H]1CN(C(=O)CCc2ccc(N)cc2)CC[C@@H]1NC(=O)C(F)(F)F	2106705858	GKFUGWKURFWHBN-RISCZKNCSA-N	357.376	2.117	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)COc2ccc(N)cc2)[C@H]2CC[C@H]21	2112100962	IMMWGKBTDQWBLY-JKSUJKDBSA-N	361.442	2.258	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NCc3cc(F)cc(F)c3O)CO[C@H]2C1	2121657006	LMMBRIOIFGSIHL-QEJZJMRPSA-N	370.396	2.394	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1CC(=O)NCCc1ccc(O)c(O)c1	2126624078	WMBDCXJVFBITJD-ZIAGYGMSSA-N	364.442	2.450	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(Cc2ccc(O)cc2O)C1	2136391283	WZSDKUYTZDQAFJ-OCCSQVGLSA-N	366.414	2.040	10	10	FECE	
CCCS(=O)(=O)CCN(C)c1ccc(CN)c(Br)c1F	2170433617	FQZNJZSDAUXIJI-UHFFFAOYSA-N	367.284	2.308	10	10	FECE	
N[C@@H]1CC[C@H](C(=O)O)N(Cc2cc(Cl)cc(Br)c2O)C1	2188782683	SGLPPXXNWQCCOY-MWLCHTKSSA-N	363.639	2.184	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cnn(C)c2)c1O	2204606337	RUSRHMCKNVZGEO-HNNXBMFYSA-N	374.441	2.316	10	10	FECE	
CCC[C@H](CNC(=O)COc1ccc(N)cc1)NC(=O)OC(C)(C)C	2218569386	WZUQHHWHLVOAEE-CQSZACIVSA-N	351.447	2.457	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])O1	2218742478	CTEHUBHYIQHUHT-WUHRBBMRSA-N	353.423	2.406	10	10	FECE	
COc1cccc(C=C2SC(=S)N(N3CCOCC3)C2=O)c1OC	2296882941	FMUCKTKSQJMXCV-UHFFFAOYSA-N	366.464	2.152	10	10	FECE	
CCn1nccc1C=CC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	2303629630	NRBSUGUJIMZADS-UHFFFAOYSA-N	358.417	2.413	10	10	FECE	
C[C@@H](NC[C@@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1cc(O)ccc1O	2330273161	OVVGOXRQMLYESA-DJZPMSPPSA-N	366.458	2.413	10	10	FECE	
Cc1c(F)cc(C(N)=O)cc1NS(=O)(=O)c1cccc2nsnc12	55615058	NQKJCHKCGPQQGX-UHFFFAOYSA-N	366.399	2.039	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)c2cccc(-c3nc(=O)o[nH]3)c2)c1	1445963224	BDKFDXCDGKUKHD-JTQLQIEISA-N	355.350	2.235	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@H](O)CC(F)(F)F	189664361	MAPWICMAPDOXKF-LLVKDONJSA-N	355.740	2.334	10	10	FECE	
CCNS(=O)(=O)c1ccc(/C=C/C(=O)N(C)Cc2ccccc2O)cc1	136944749	AKXGDYJACZNRLG-JLHYYAGUSA-N	374.462	2.362	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCC(=O)Nc3ccccc3)CC2)cc1	193426909	HYVOALWJDHNTSM-UHFFFAOYSA-N	368.437	2.166	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1	276405927	ICGWNUAVHULULX-CYBMUJFWSA-N	363.414	2.020	10	10	FECE	
Cc1ccc(NC(=O)C(=O)NCc2cc(Br)ccc2O)cn1	807387681	RGGTXLSJXHVTSM-UHFFFAOYSA-N	364.199	2.113	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1	808528449	BWOZOUHKDHUDNV-OAHLLOKOSA-N	374.220	2.068	10	10	FECE	
O=C(NCCN1CCSCC1)NCc1cc(Br)ccc1O	805181934	RJDUWWCNERXQBO-UHFFFAOYSA-N	374.304	2.003	10	10	FECE	
O=C1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CCN1CC(F)(F)F	809711389	WGTKETSWIIKHNB-UHFFFAOYSA-N	367.711	2.160	10	10	FECE	
O=C(COc1ccccc1)N1CC[C@H](NCc2ccc3c(c2)CCO3)C1	800899709	UQFYZBYAOGNZDD-SFHVURJKSA-N	352.434	2.391	10	10	FECE	
CCN1CCC[C@@H]1CNC(=O)NCc1cc(Br)ccc1O	806855669	UZYAQVHQDFIAQO-CYBMUJFWSA-N	356.264	2.438	10	10	FECE	
Cc1c(C)n(C)c2ccc(OS(=O)(=O)C3CCS(=O)(=O)CC3)cc12	817152110	ODMXXVLIDQKEKC-UHFFFAOYSA-N	371.480	2.081	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc3c(c2)CCCO3)c1	725903531	JKSHAXJQGXULNC-UHFFFAOYSA-N	362.407	2.341	10	10	FECE	
O=C(Cn1cnc2ccccc2c1=O)NCCCSc1nccs1	733973088	UNFBDICYGJLINR-UHFFFAOYSA-N	360.464	2.152	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)N[C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1	738459411	GPOVRJRKYQATQU-ZWOKBUDYSA-N	372.513	2.305	10	10	FECE	
Cc1cc(C(=O)N2CCN(Cc3ccc(N(C)C)c(F)c3)[C@H](C)C2)n[nH]1	835072412	ADYOBFLHRZAESH-CQSZACIVSA-N	359.449	2.270	10	10	FECE	
CCO[C@@H]1C[C@H](NC(=O)N[C@@H](C)c2cc(OC)ccc2O)[C@H]1n1cccn1	836496419	QQIQKPZYXUCLQC-PWUKJLEFSA-N	374.441	2.376	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)NCCCNCc2cccnc2)c1	841935993	NKMILDLMELTACP-CQSZACIVSA-N	358.442	2.336	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)c3sc(C)nc3C)C2)cc1	849416502	RITWITNBFRMYHV-ZDUSSCGKSA-N	367.496	2.326	10	10	FECE	
C[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C(C)(C)C	846741710	DKZFUSNNYUSIJO-ZBFHGGJFSA-N	362.470	2.451	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1CNC	841012268	DIRDTLYTTIDDGO-UHFFFAOYSA-N	368.481	2.459	10	10	FECE	
C[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1nnc(O)n1C	926137040	RCVLFCFKAAIHDQ-LBPRGKRZSA-N	358.446	2.022	10	10	FECE	
CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2c(O)ccc3ccncc23)C1	842643794	OXWFNCYRCBSSDO-INIZCTEOSA-N	353.344	2.441	10	10	FECE	
COC[C@@H](C)S(=O)(=O)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C	853107422	SGEVQUPIEFXHMU-CQSZACIVSA-N	364.467	2.118	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(CC3CCOCC3)OC)C2)cc1	854297833	RXLDFUKJJNRZLH-INIZCTEOSA-N	363.458	2.274	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCCC[C@@H]3[C@@H](C)CO)C2)cc1	854297338	QGSVZCXMQXWAPC-TXPKVOOTSA-N	361.486	2.466	10	10	FECE	
Cn1cc(CNCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(Cl)n1	856767126	VCKVCCMUGQYYBI-CQSZACIVSA-N	361.877	2.065	10	10	FECE	
Cc1ccn([C@@H](C)CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)n1	856209537	RNQYTOSJROQDMR-INIZCTEOSA-N	356.470	2.420	10	10	FECE	
CCC1(N2CCOCC2)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	863492382	UTWDHVKGMQTCGQ-GQCTYLIASA-N	360.454	2.214	10	10	FECE	
CCOC(=O)C1CCC(O)(C[C@H](O)CN[C@@H](C)c2ccccc2O)CC1	931558621	VMNMTEOBKSKENG-DQLYFJKKSA-N	365.470	2.278	10	10	FECE	
CC(C)C[C@]1(C(=O)NCc2cccc(Br)c2O)CCNC1=O	867830901	LAAFAGBWYWFKAX-MRXNPFEDSA-N	369.259	2.323	10	10	FECE	
COC(=O)N1CCC[C@H]([C@H](C)NCc2cc(OC)c(OC)cc2O)C1	775998621	GZIGKLJQFNCUKG-STQMWFEESA-N	352.431	2.366	10	10	FECE	
COC(=O)CCSCCNC(=O)c1cc2cc(O)c(O)cc2s1	896355316	SNQCJEOSVDRQFG-UHFFFAOYSA-N	355.437	2.339	10	10	FECE	
NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(Br)cc(F)c1O	894537066	HETIKMXAJJKNLW-DYLAAIIWSA-N	357.223	2.380	10	10	FECE	
CCOC(=O)[C@@H]1CCCN(CC(=O)NCc2c(O)ccc3ccccc23)C1	1304090283	CWJZPGFKMIOKRE-MRXNPFEDSA-N	370.449	2.437	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CC=CCO1	1314753432	PIKGXHFPZNBBDV-SJORKVTESA-N	370.453	2.469	10	10	FECE	
C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCc3ccc(N4CCOCC4)cc3)CN2C1	1347384951	QSINNPQTVACZEA-KPFFTGBYSA-N	357.498	2.260	10	10	FECE	
Cc1ccc(O)c(CNC(=O)c2n[nH]c(C)c2I)c1	1453649986	AWDLRIDYJPSITC-UHFFFAOYSA-N	371.178	2.267	10	10	FECE	
COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1	1469816161	YOODNBPYUDXSET-SJLPKXTDSA-N	370.449	2.399	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)c3ccc([N+](=O)[O-])cc3N)C2)cc1	1469279985	IVOUWFMGGIYCGO-ZDUSSCGKSA-N	370.409	2.442	10	10	FECE	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H]2CC[C@@H](C(N)=O)C2)cc1	1542490178	FZVIHCSYHZTYNH-AOIWGVFYSA-N	373.497	2.162	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-n2ccnc2O)cc1	1556158036	QAEGCVVJGKQVTG-LBPRGKRZSA-N	353.378	2.350	10	10	FECE	
COC(=O)COc1cccc(C(=O)NCc2ccc3cccnc3c2O)c1	1638570106	STGHNKLWVHKOAP-UHFFFAOYSA-N	366.373	2.422	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F	1558112895	FLWKTMFWLSTQOM-GUYCJALGSA-N	369.339	2.291	10	10	FECE	
COc1cccc(CNC(=O)c2ccc3nc(C(C)(C)CO)[nH]c3c2)c1O	1636061635	UCKVAKPGVKJNHV-UHFFFAOYSA-N	369.421	2.477	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](c3ccncc3)C3CC3)nc12	1656418444	QRPFGJXAHNXQDC-QGZVFWFLSA-N	367.409	2.248	10	10	FECE	
CCN[C@H]1C(=O)Nc2cc(N(C)C[C@H](O)COCc3ccccc3)ccc21	1916382193	QCCIVNJKNAQUGE-FXAWDEMLSA-N	369.465	2.303	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCCO1	2136261491	LXXJGHPUVYSCBZ-ZDUSSCGKSA-N	366.414	2.088	10	10	FECE	
CN[C@H](c1ccccc1O)[C@]1(O)CC[C@H]1NC(=O)OCc1ccccc1	1977188754	RENQKXKWLKVQIU-GGPKGHCWSA-N	356.422	2.473	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@H](CNCc2ccc(O)c(O)c2)CO1	2041186665	IPXPMRXBTJEAAI-ZIAGYGMSSA-N	352.431	2.117	10	10	FECE	
Nc1ccc(CS(=O)(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1	390490339	AADXWBSGABLWTK-LJQANCHMSA-N	359.495	2.353	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(N=[N+]=[N-])CC1)C1(O)CCC1	2067739373	HFQBJVZCNYVVEG-GFCCVEGCSA-N	353.423	2.096	10	10	FECE	
C[C@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)Cc2ccc(N)cc2)C1	2106735361	YGLAPMGPGHENSY-FZMZJTMJSA-N	357.376	2.117	10	10	FECE	
C[C@H](NCCn1cc(CNC(=O)OC(C)(C)C)nn1)c1ccccc1O	2271502077	VHXARZZRSSBJKV-ZDUSSCGKSA-N	361.446	2.359	10	10	FECE	
COc1ccc(N2CC(O)(C3CCN(C(=O)C(F)(F)F)CC3)C2)c(C)c1	2235094589	QPWVEYHMSBWGRE-UHFFFAOYSA-N	372.387	2.356	10	10	FECE	
O=S(=O)(CCCNCc1c(O)cccc1Br)C(F)F	2229332178	DABZUXZNCAVIRC-UHFFFAOYSA-N	358.204	2.272	10	10	FECE	
O=C(O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2cccc(F)c2)SC1=S	2296881792	ASKWRHYDTBEHQR-SNVBAGLBSA-N	369.395	2.345	10	10	FECE	
CCOC(=O)c1ccc(N2NC(=O)C(=Cc3ccc(OC)cc3)C2=O)cc1	2297321449	VQEWEPUUTNIFAT-UHFFFAOYSA-N	366.373	2.333	10	10	FECE	
CNC(=O)c1ccc(C=CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1	2308464746	GZYMQVSZPZGVGW-CYBMUJFWSA-N	354.406	2.218	10	10	FECE	
COc1ccc(O)c(CN[C@]23CO[C@H](C2)[C@H](NC(=O)OC(C)(C)C)C3)c1	2334238493	CIAFSUOYTYNPRD-OGWOLHLISA-N	364.442	2.315	10	10	FECE	
CN(c1ccc(CO)c(Br)c1)[C@@H]1CC[C@@H](S(C)(=O)=O)C1	2361702556	RGTYDWWCPVIKEJ-DGCLKSJQSA-N	362.289	2.343	10	10	FECE	
CN1C(=O)C[C@H](C(=O)NCCc2ccc(O)c(O)c2)[C@@H]1c1ccc(F)cc1	122806851	SHEWRGZDMKCALZ-KXBFYZLASA-N	372.396	2.115	10	10	FECE	
O=C1C[C@@H]([C@H]2CCCCN2C(=O)NCCCSc2nccs2)CN1	123435918	QYHDLWXLVPYFQG-CHWSQXEVSA-N	368.528	2.326	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1OCCN(C)C	183467432	NGTJZDHPOYLFGI-CQSZACIVSA-N	358.438	2.399	10	10	FECE	
CC(C)OC(=O)[C@@H](C)CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1	255902700	VMUWECRKRPVRSA-HWYHOQROSA-N	360.454	2.240	10	10	FECE	
CCOC(=O)c1csc(CCNC(=O)c2ccc(C)c(O)c2O)n1	276154546	DNVGSWHMEYFTIK-UHFFFAOYSA-N	350.396	2.012	10	10	FECE	
COC(=O)[C@H]1CCN(Cc2cc(Cl)cc(C)c2O)[C@H](C(=O)OC)C1	272536323	OGAXXDNICMQTON-FZMZJTMJSA-N	355.818	2.281	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F	281037399	NPTYXPMGFXDOQG-XPTSAGLGSA-N	372.347	2.365	10	10	FECE	
C[C@H](NC(=O)C(=O)NC1CCC(CN(C)C)CC1)c1ccc(N(C)C)cc1	804242815	MYHYJLHRNWTZBO-HJOIGYKYSA-N	374.529	2.166	10	10	FECE	
Cc1cc(COCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)on1	801158420	IKKACGHYTIMQPC-UHFFFAOYSA-N	373.453	2.025	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)N3CC(C4CC4)C3)CC2)cc1	813031900	IKBOAWOXQRZLGF-UHFFFAOYSA-N	372.513	2.259	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c2ncnn21	820004925	KTPHBGSYBNXFHL-BMFZPTHFSA-N	371.441	2.380	10	10	FECE	
COc1cccc([C@@H](C)NC[C@H]2CS(=O)(=O)c3ccccc3O2)c1O	846171132	DGKGTOJAAJPNSJ-OLZOCXBDSA-N	363.435	2.286	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)[C@@H]2Cc3ccccc3CN2)cc1	846696247	DAQKRLWRRFVLGT-FQEVSTJZSA-N	353.466	2.304	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)Cc3ccc(C(N)=O)nc3)cc2)CC1	859283017	CMSOIJSREINQCD-UHFFFAOYSA-N	366.465	2.276	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccc(CNC(C)=O)cc3)C2)cc1	855230771	XTPCLWRSBYREHW-GOSISDBHSA-N	367.449	2.340	10	10	FECE	
Cc1cc(CN2C[C@@H](C(=O)O)C[C@@H](c3cnn(C)c3)C2)ccc1N(C)C	923263340	DCKWTWRJGYIMQR-SJORKVTESA-N	356.470	2.485	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)c1cn([C@@H]2CCCNCC2)nn1	852861004	XZRRAKLZCFSJPK-GOSISDBHSA-N	368.485	2.123	10	10	FECE	
C[C@@H]1CC[C@@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CN1	861805677	JBKXTHFDNQORSJ-NVXWUHKLSA-N	373.497	2.310	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@H](C)C(=O)N(C)C)C1	769664862	MXVLYQHYRZRMRK-OAHLLOKOSA-N	371.481	2.428	10	10	FECE	
COc1ccc(N2CCC(N3C(=O)N[C@@]4(CCSC4)C3=O)CC2)cc1	761224191	VBHXDWQSAYNNQA-GOSISDBHSA-N	361.467	2.092	10	10	FECE	
C[C@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)NC(=O)NCC(F)(F)F	774482605	GZYYBBQVBQAARZ-MNOVXSKESA-N	360.380	2.180	10	10	FECE	
CCN(C)c1ccc(CN2[C@H]3CC[C@H]2[C@@H](C(=O)OC)[C@@H]3C(=O)OC)cc1	773809542	SETJPAOHRZZFLF-WNRNVDISSA-N	360.454	2.068	10	10	FECE	
O=C(NCc1cccc(O)c1O)[C@H](c1ccccc1)N1CCCCC1=O	1123887953	GKQTXXTVPWRVAZ-SFHVURJKSA-N	354.406	2.468	10	10	FECE	
C[C@H]1CO[C@@H](C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1	889835316	CVSLLJBZXFQVOG-OXQOHEQNSA-N	357.498	2.260	10	10	FECE	
CC(C)(C)OC(=O)NC1(C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)CC(CO)C1	1879576829	OOTGSOYVXLQVBU-JZLYGMAVSA-N	367.450	2.344	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@H](COc2ccccc2)C1	791152361	IGZFHTBFUFLJLD-LKUPDRCFSA-N	355.390	2.417	10	10	FECE	
C[C@@H]1C[C@H](NC[C@H]2CCCCN2S(C)(=O)=O)c2c(O)ccc(F)c21	797095680	FMHDUNUZQQKKQY-BZPMIXESSA-N	356.463	2.483	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Nc2ccc(N)cc2)[C@@H](CO)C1	2116272668	DUXRPTXCNYBOQV-IUODEOHRSA-N	364.446	2.008	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1Cc1cccn(CC)c1=O	1292841109	NZKRJHUPRLXESI-UHFFFAOYSA-N	367.453	2.412	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C2=CS(=O)(=O)CCC2)cc1F	1465000989	BKNUFROSQFOVNX-UHFFFAOYSA-N	354.447	2.381	10	10	FECE	
COC(C)(C)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1479148152	DNDLXPUNAWSUBK-QGZVFWFLSA-N	350.507	2.470	10	10	FECE	
CCNC(=O)C1(Cn2c(C)nnc2N(C)Cc2ccccc2O)CCC1	1710317559	GRUPXWSOFDNZSF-UHFFFAOYSA-N	357.458	2.235	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)cc1	1624805058	ODJYUDSIVPGNIE-CQSZACIVSA-N	357.414	2.227	10	10	FECE	
COCCCn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1O	1712393241	DYWDZUZHIWXZLX-UHFFFAOYSA-N	354.414	2.114	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc4nc(CO)[nH]c4c3)CC2)cc1	1631277459	TWTRFRPMJLEGGR-UHFFFAOYSA-N	366.421	2.026	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3C[C@H]4CN(C)C[C@@]4(C)C3)C2)cc1	1636353563	DLVMZAHZZJXJBC-LZJOCLMNSA-N	372.513	2.115	10	10	FECE	
CCc1nc(C)ncc1C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	1635889809	FNMLGFFTOHHVOK-UHFFFAOYSA-N	358.417	2.458	10	10	FECE	
COC(=O)COc1c(C)cc(C(=O)NCc2c(O)cccc2O)cc1C	1645360585	DNAUVHGPEXBSDW-UHFFFAOYSA-N	359.378	2.196	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)NCCN=S(C)(C)=O)ccc21	1652326263	WIFKMABRIJVQRT-UHFFFAOYSA-N	365.499	2.362	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1CCCN1CCCO[C@@H](C)C1	1742754064	HTHTZVBYDCYJBH-INIZCTEOSA-N	373.501	2.429	10	10	FECE	
CCc1nnc(N(C)[C@H](C)CC(N)=O)n1CCCSc1nccs1	1764698974	SESPMUPQPAWBER-LLVKDONJSA-N	368.532	2.180	10	10	FECE	
CC(C)C[C@@H](CNC(=O)c1cc(O)c(O)c(O)c1)NC(=O)OC(C)(C)C	2132408281	VOXWINDLRZLVGI-LBPRGKRZSA-N	368.430	2.473	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1[C@H]2CC[C@H]12	2136244924	PQUZNBIQYCTPSY-AVGNSLFASA-N	362.426	2.058	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@@H](O)C(F)(F)F	1951424486	LDGIDCCRCGMRKB-BXKDBHETSA-N	351.321	2.457	10	10	FECE	
CN(C(=O)CN1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)c1ccc(N)cc1	2163041367	GKEWIQVPMRCUBX-HUUCEWRRSA-N	374.485	2.030	10	10	FECE	
COCCN(CCNCc1cc2c(cc1O)OCO2)C(=O)OC(C)(C)C	381209578	LVMCUPGKNULTKZ-UHFFFAOYSA-N	368.430	2.094	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H]1COCCN(C(=O)OC(C)(C)C)C1	830141746	XQBDYYQFMLVVSQ-HNNXBMFYSA-N	364.442	2.234	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)Nc2ccc(N)cc2)C1	2044621955	WNSSNUDVESXHSA-CQSZACIVSA-N	350.419	2.026	10	10	FECE	
CN(C)c1ccc([C@@](C)(O)[C@](C)(NC(=O)OC(C)(C)C)C(=O)O)cc1	2058201947	XPPQXLABEJEHJV-QZTJIDSGSA-N	352.431	2.328	10	10	FECE	
CO[C@@]1(C(=O)N2CCC[C@H]2CN=[N+]=[N-])CCN(C(=O)OC(C)(C)C)C1	2060617928	TWJNCINAGBBOBE-LRDDRELGSA-N	353.423	2.314	10	10	FECE	
CCN[C@H](c1cn(CCNC(=O)OC(C)(C)C)nn1)c1ccccc1O	2090042438	LVHLDRCABSNZJR-INIZCTEOSA-N	361.446	2.207	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])C1	2218742505	DAQMKMWLONGCNY-MKBNYLNASA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ccc4c(c3)CCO4)C[C@@H]2[C@@H]1CO	2227310282	LBHGLZOGRZPSNV-XIRDDKMYSA-N	360.454	2.286	10	10	FECE	
NCc1c(I)ccc(I)c1O	307653077	OYTIPDPYPNKKRG-UHFFFAOYSA-N	374.947	2.060	10	10	FECE	
CC1(C)CC[C@@H](CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)O1	186346853	LKAAOXAGVRNFST-HNNXBMFYSA-N	365.449	2.419	10	10	FECE	
CO[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1	187996128	CEEJKWSERYWCOP-PKOBYXMFSA-N	361.486	2.262	10	10	FECE	
CN(C)c1ccc(CNC(=O)C2CCN(Cc3nccn3C)CC2)cc1	43285599	MHSUJBHVQPQSBD-UHFFFAOYSA-N	355.486	2.015	10	10	FECE	
CCNC(=O)N1CC[C@@H](N[C@H](C)c2ccc(N3CCC(O)CC3)cc2)C1	90409899	KLLAVKBOQMJKDT-NVXWUHKLSA-N	360.502	2.102	10	10	FECE	
CC(=O)NCCN(C(=O)c1cc(C)n(-c2ccccc2)c1C)[C@H](C)C(=O)O	262160662	BZRACZLITVMLQF-OAHLLOKOSA-N	371.437	2.146	10	10	FECE	
COC(=O)c1cncc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1	271910502	ZBSSYSUDMQVWOO-UHFFFAOYSA-N	370.409	2.231	10	10	FECE	
Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1Cc1ccc(N(C)C)cc1	362375137	AVTNZWCQNXHYLR-FQEVSTJZSA-N	363.465	2.382	10	10	FECE	
CN[C@H]1C(=O)Nc2cc(N3C[C@@H]4CN(Cc5ccccc5)C[C@@H]4C3)ccc21	705958189	QMXDVRZIIRLDRV-LLGFUMIMSA-N	362.477	2.467	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1	808504716	KQKWSXQEFOQCEW-NSHDSACASA-N	358.316	2.018	10	10	FECE	
C[C@@H]1CCN(c2cc3c(cc2N)NC(=O)CC3)C[C@H]1NC(=O)C(F)(F)F	2163117801	FCWBMXKLVJHUQK-NOZJJQNGSA-N	370.375	2.047	10	10	FECE	
NC(=O)[C@@H]1CCC[C@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C1	817929275	LUSYQIPMHHSAFZ-OCCSQVGLSA-N	358.467	2.090	10	10	FECE	
CON(C)C(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2O)cc1	821172981	JUQPICZSUFDVAK-UHFFFAOYSA-N	372.349	2.105	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CNCc2cnc(C(F)(F)F)nc2)c1O	826840301	WVXYNCKFGNKLHF-UHFFFAOYSA-N	358.276	2.408	10	10	FECE	
O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CC(c2ccccn2)=NO1	907061480	WLYMUCXUDCGBFP-LJQANCHMSA-N	351.406	2.475	10	10	FECE	
C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CO1	826823238	YEYSRXPJVAEZFI-LPHOPBHVSA-N	372.513	2.195	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N[C@@H](CCO)c1ccco1	588488275	NXKPGJGXJBDZAJ-MTIYJEKLSA-N	356.422	2.369	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3C[C@H]3C3CCCC3)nc12	845347868	XWSAQOZFZCKLHS-UONOGXRCSA-N	373.409	2.481	10	10	FECE	
COc1cc(Br)cc([C@@H](C)N[C@H]2CCCN(C)C2=O)c1O	848531259	MWSRFCOYSYBMBV-SKDRFNHKSA-N	357.248	2.435	10	10	FECE	
COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H](C)C(C)(C)C)CC2)cc1	846593921	VDHMAEOAVHUENU-SIFUEBAJSA-N	373.497	2.451	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1C[C@@H]2[C@H](C1)C2(F)F	844896526	CCNFNEOFUPJTPI-OKILXGFUSA-N	369.387	2.193	10	10	FECE	
CC1(C)OCC[C@@H]1CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1	851990602	VENKJVWBOITRNC-OAHLLOKOSA-N	365.449	2.277	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3CCCc4n[nH]cc4C3)C2)cc1	852986186	BKTNBBUWDALBTD-HNNXBMFYSA-N	369.469	2.403	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnn(-c4cccnc4)c3)CC2)cc1	759276874	GDSRQEGBIINFNW-UHFFFAOYSA-N	363.421	2.238	10	10	FECE	
CCO[C@@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)CN(C)C	926966628	XOWAREJOVVUUPC-WBVHZDCISA-N	353.482	2.280	10	10	FECE	
C[C@@H](NC(=O)N1CCc2c[nH]nc2C1)c1ccc(N2CCOCC2)cc1	750809383	BADDTZPMBQSCHW-CQSZACIVSA-N	355.442	2.075	10	10	FECE	
Cc1ccc(-n2c(C)cc(C(=O)CN3C[C@@H](O)C[C@@H](O)C3)c2C)cc1F	752311122	QEEANYITMZNWGU-CALCHBBNSA-N	360.429	2.152	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3COc4ccccc4O3)C2)cc1	855229773	QGBDDHLEOKRSHE-KUHUBIRLSA-N	354.406	2.230	10	10	FECE	
CN1CCN(Cc2ccccc2)[C@H](CNCc2cc([N+](=O)[O-])ccc2O)C1	850414747	WRKMJPPCDIQJBH-LJQANCHMSA-N	370.453	2.206	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3nc([C@H]4C[C@@H]4C)no3)CC2)c(OC)c1	866128289	ZUQRFSGWLRHEOK-JSGCOSHPSA-N	372.425	2.173	10	10	FECE	
COC[C@@H](C)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	768272756	UJZBBJVJKIDZOY-MRXNPFEDSA-N	360.502	2.053	10	10	FECE	
COc1ccc(N2CCN(c3c4c(nc5ncnn35)CCC4)CC2)cc1F	865600660	BPHLHGFWRPHVAO-UHFFFAOYSA-N	368.416	2.087	10	10	FECE	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cnn(CC3CC3)c2)c1	777962695	WTNZCJMCRCRDBO-NSHDSACASA-N	351.428	2.047	10	10	FECE	
CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)ccc1F	775286507	VDBLIJFDGABLPT-UHFFFAOYSA-N	369.330	2.199	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H]3CCN(C)[C@@H](C)C3)CC2)c(OC)c1	870167620	MLLXCQMYGZQDHE-HOTGVXAUSA-N	361.486	2.083	10	10	FECE	
CN1CC[C@H]2CN(C(=O)c3csc(Cc4ccc(N)cc4)n3)CC[C@H]21	870982229	MABOKEGZLZYEIK-WMLDXEAASA-N	356.495	2.482	10	10	FECE	
COC(=O)c1c(CN2CC[C@H](C(=O)N(C)C)C2)c2cc(F)ccc2n1C	894991306	AGRGONFMAHMBFB-LBPRGKRZSA-N	361.417	2.014	10	10	FECE	
COc1ccc(CNC(=O)Nc2ccc3c(c2F)CCNC3=O)c(O)c1	794373667	HKKVYUDSAZRMGN-UHFFFAOYSA-N	359.357	2.148	10	10	FECE	
CCOC(=O)C1(C(=O)NCc2ccc(N3CCCC3)cc2)CCOCC1	795205901	YSAASEJWHYUXPX-UHFFFAOYSA-N	360.454	2.263	10	10	FECE	
CCN1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O	1084166976	QNUFLHVSXPBJCC-LCYFTJDESA-N	355.306	2.337	10	10	FECE	
CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1	1157065294	KGYGPUGNTWWKFX-CQSZACIVSA-N	350.415	2.156	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1	1176748117	KPPPKPNIPNVBGP-NSHDSACASA-N	362.332	2.045	10	10	FECE	
COc1ccc(N(C)CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)cc1	1195819307	XOWHQZKQSXFCSD-UHFFFAOYSA-N	357.366	2.208	10	10	FECE	
C[C@H](NC(=O)C(=O)NC1CCC=CCC1)c1ccc(N2CCOCC2)cc1	1353665069	VIQLQNKBGCOFCH-INIZCTEOSA-N	371.481	2.315	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C(F)(F)C(F)F	1446812800	ASTGJZFSHWDOJT-UHFFFAOYSA-N	357.687	2.448	10	10	FECE	
CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCC(=O)N1	1287365348	ONRLBSCSQOSQFL-OAHLLOKOSA-N	357.458	2.097	10	10	FECE	
O=C(Cc1nc(C2CCOCC2)n[nH]1)NCc1ccc(N2CCCC2)cc1	1527444111	ZDGSSNIYCNPRTC-UHFFFAOYSA-N	369.469	2.158	10	10	FECE	
CCc1nnc(S)n1CCNC(=O)c1cc2cc(O)c(O)cc2s1	1617927686	MFNJGLYSTMSFPW-UHFFFAOYSA-N	364.452	2.185	10	10	FECE	
O=C(NC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1)c1ccsc1	1626659641	ZZYDIGBAIGFTET-UHFFFAOYSA-N	360.435	2.123	10	10	FECE	
O=C(NCc1cccc(O)c1O)c1cncc2nc(C(F)(F)F)[nH]c12	1633515577	HADNVUYRAWHENW-UHFFFAOYSA-N	352.272	2.318	10	10	FECE	
CCc1ocnc1C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O	1566849053	HLDZJSRQYIXMGB-UHFFFAOYSA-N	352.774	2.411	10	10	FECE	
O=C(NC[C@@H](n1cncn1)C(F)(F)F)c1cc2cc(O)c(O)cc2s1	1642670220	VWKRMKWEHOXIKK-GFCCVEGCSA-N	372.328	2.437	10	10	FECE	
COC1CCN(c2ccc(CN(C)Cc3nnc4n3CCC4)cc2)CC1	1653660957	BOACQAHAGHHHNN-UHFFFAOYSA-N	355.486	2.472	10	10	FECE	
CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(O)c(O)c(O)c1	2132351343	WPFJTHSYZVRIDE-OAHLLOKOSA-N	356.422	2.398	10	10	FECE	
O=C(CN1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1)c1ccc(O)c(O)c1	2132367546	JIORXVUGYIAQQV-QZTJIDSGSA-N	352.434	2.487	10	10	FECE	
CCc1ccc(NC(C)=O)cc1NC(=O)c1nnn(-c2ccc(N)cc2)n1	1857878414	AVGPBGIVJQFCNG-UHFFFAOYSA-N	365.397	2.018	10	10	FECE	
CCc1c(OCCCOc2ccc(N)cc2)c(=O)ccn1[C@@H](C)C(=O)O	1857913307	CNENJWQFCNJLCL-ZDUSSCGKSA-N	360.410	2.486	10	10	FECE	
CNCCOCCN(C)Cc1cc(Cl)cc(Br)c1O	708140578	XBRIMFNABHNQKS-UHFFFAOYSA-N	351.672	2.476	10	10	FECE	
C[C@@H]1CN(C(=O)CCc2ccc(N)cc2)CC[C@H]1NC(=O)C(F)(F)F	2106705856	GKFUGWKURFWHBN-BXUZGUMPSA-N	357.376	2.117	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(C(=O)COc1ccc(N)cc1)C2	2272650322	KYXRBPGAMNPWFW-YJYMSZOUSA-N	361.442	2.021	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N1CCC(CN2CCCCC2=O)CC1	2307987082	BRBJNPMUJHINKO-UHFFFAOYSA-N	358.438	2.362	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H](CCNCCc2ccc(O)c(O)c2)C1	2344571604	GUVFFGQSRVRTTC-OAHLLOKOSA-N	366.458	2.256	10	10	FECE	
Cc1cc(O)cc(=O)n1[C@@H](C)C(=O)NCCCSc1nccs1	176235389	HWGJEBSWZBAZGI-NSHDSACASA-N	353.469	2.178	10	10	FECE	
CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1NCc1ccc(O)c(O)c1	302118996	SVZLOJCKUHDFLH-WQVCFCJDSA-N	352.431	2.258	10	10	FECE	
NC(=O)CN(Cc1ccc(N)cc1)C(=O)c1ccc(Br)s1	35366553	ITEJTNFEYAPEFC-UHFFFAOYSA-N	368.256	2.221	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)C(=O)NCC[C@H]3CCOC3)cc2)CC1	805024891	WYBIMHZTKDGSRT-SFHVURJKSA-N	373.497	2.082	10	10	FECE	
CCc1cc(CNC(=O)NCc2cc(Br)ccc2O)n[nH]1	805140292	SHYDSKPDXSDXGN-UHFFFAOYSA-N	353.220	2.440	10	10	FECE	
CCN1CCN(CCNC(=O)Cc2cc(C)n(-c3ccccc3)c2C)CC1	827506040	BONLMQCWKDUTRF-UHFFFAOYSA-N	368.525	2.390	10	10	FECE	
COC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)C2	822539461	JJDFSVNPUGGAOJ-DRZSPHRISA-N	365.386	2.018	10	10	FECE	
Cc1cc(C)c(O)c(CN2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c1	853530730	PWSOMJBFPRUEGL-STQMWFEESA-N	351.390	2.416	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1	922916490	VKQLJNPESGBFNF-OPNNQBFTSA-N	361.486	2.095	10	10	FECE	
CC(=O)c1cc(F)cc(CN[C@@]2(C(=O)OC(C)(C)C)CCOC2)c1O	852492352	PCOQUBSMYYYIEC-SFHVURJKSA-N	353.390	2.324	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3C[C@H](C)n4ncnc43)C2)cc1	852386410	FHGIUXGYDZYVCW-JJRVBVJISA-N	370.457	2.118	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@H](O)CC(C)(C)C3)C2)cc1	854298017	UQULKUOFULROOE-NVXWUHKLSA-N	361.486	2.466	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H](O)CCc3ccccc3)C2)cc1	855232969	CYRJYTLUWSIDOK-YLJYHZDGSA-N	354.450	2.384	10	10	FECE	
C[C@H]1C[C@@H]1c1noc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n1	865894439	MVBYFAWOINCOTK-BBRMVZONSA-N	356.426	2.302	10	10	FECE	
O=C(CC[S@](=O)c1ccc2c(c1)OCCO2)N1Cc2cccc(O)c2C1	871202266	BODGORMSNCSTOH-SANMLTNESA-N	373.430	2.204	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3nc(C)c(C)s3)CC2)cc1	770483657	DMPIRJVIDAMXKE-UHFFFAOYSA-N	374.510	2.321	10	10	FECE	
Cc1[nH]nc2cc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)ccc12	770257716	KAKVBGDDNZMINL-UHFFFAOYSA-N	360.395	2.201	10	10	FECE	
CCc1noc(C[C@@]2(O)CCCN(Cc3cc(F)cc(F)c3O)C2)n1	895375496	SNBVZGCCDYYOOF-KRWDZBQOSA-N	353.369	2.185	10	10	FECE	
COC(=O)c1c(CN2CCc3nccnc3C2)c2cc(F)ccc2n1C	895334744	TYTVDLPEPSMJQE-UHFFFAOYSA-N	354.385	2.452	10	10	FECE	
O=C(NCc1ccccc1O)c1ccc(-n2cc(Br)cn2)nn1	1137471577	RMQDLZCREPIQHM-UHFFFAOYSA-N	374.198	2.060	10	10	FECE	
COc1cc(N2CCN(Cc3ccnc(C)n3)CC2)cc(OC)c1OC	796451699	XGHZLTFYLOJQBW-UHFFFAOYSA-N	358.442	2.133	10	10	FECE	
CN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cc3c(cc2O)CCCC3)C1	795656285	ILDFTAUQWAYQBP-QGZVFWFLSA-N	352.500	2.127	10	10	FECE	
C[C@@H](NC(=O)CCNS(=O)(=O)c1ccccc1F)c1ccccc1O	1151879459	RCXRMJQBUSRUHY-GFCCVEGCSA-N	366.414	2.077	10	10	FECE	
CCS(=O)(=O)C[C@H](C)NCc1c(Br)ccc(OC)c1O	1964571817	DTKILAQGAPPHGX-VIFPVBQESA-N	366.277	2.076	10	10	FECE	
Cn1nccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCCN=[N+]=[N-]	1963732036	FSRNOQJKLCUDPF-GFCCVEGCSA-N	351.411	2.193	10	10	FECE	
CC(C)(C)C(=O)N1CCO[C@@H](C(=O)Nc2c(Cl)ccc3nonc23)C1	1520358380	ARXOGMOCMVVBSX-LLVKDONJSA-N	366.805	2.088	10	10	FECE	
CC1=NNC(=O)[C@H]1CCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C	1464893182	XPQDKHIMVPTWKO-SFHVURJKSA-N	352.438	2.265	10	10	FECE	
Cc1noc([C@@H]2OCC[C@@H]2NC(=O)NCc2cccc(Cl)c2O)n1	1470976938	ZYWPAHZOTFEIPZ-WCQYABFASA-N	352.778	2.066	10	10	FECE	
CC[C@H]1COCCN1CCNC(=O)c1cc(C)n(-c2ccccn2)c1C	1471721331	OLDPILYDMLJDNJ-KRWDZBQOSA-N	356.470	2.330	10	10	FECE	
CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2124540126	DEJZPTAFVOOFKF-NWDGAFQWSA-N	369.422	2.134	10	10	FECE	
Cc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1N1CCOCC1=O	1636427118	ZNHQRVBXKLLJKC-XVNBXDOJSA-N	368.389	2.421	10	10	FECE	
Cc1ccc(O)c(CNC(=O)c2cnc(CNC(=O)OC(C)(C)C)nc2)c1	1645805038	OYNBLRWJTFBVQA-UHFFFAOYSA-N	372.425	2.445	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCc1ccc(C(=O)N2CCCC2)cc1	1584134317	ATFBACCJNSJRHK-UHFFFAOYSA-N	354.406	2.193	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)NCc2ccccc2O)C1	1294925865	SWTMLSMIJBRBCW-KUHUBIRLSA-N	364.442	2.471	10	10	FECE	
Oc1c(CN=c2[nH]ccnc2I)ccc(F)c1F	2057935112	HPFBGKMMDQXDNL-UHFFFAOYSA-N	363.105	2.099	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2060634924	FPTITGXXNUPALY-CHWSQXEVSA-N	353.423	2.171	10	10	FECE	
CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2060633118	KBHGYGJCQNQJOS-QWHCGFSZSA-N	355.439	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)N2CC[C@@H](N=[N+]=[N-])C2)C1	2060640616	WVLOIYOTHBGOKC-CHWSQXEVSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1CC(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2067684070	FGHCYCXMRSDUIB-RWMBFGLXSA-N	353.423	2.075	10	10	FECE	
CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NCc1ccc(O)c(O)c1O	2084779335	MOZSBVFQDLZGJG-DGCLKSJQSA-N	370.471	2.244	10	10	FECE	
CC(C)(C)OC(=O)NCC1(NC(=O)Nc2ccc(N)cc2)CCOCC1	2106292131	KWGNWPJOCGWNRE-UHFFFAOYSA-N	364.446	2.464	10	10	FECE	
COc1ccc(N2CC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)C2)cc1OC	2226800448	SXNFMZLEBUIOBB-UKRRQHHQSA-N	366.458	2.416	10	10	FECE	
COc1ccc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c(CN)c1	2227680676	ADKIZHJJSPUGBP-RTWAWAEBSA-N	353.466	2.244	10	10	FECE	
CSc1ncc(CNC(=O)c2nnc(Br)s2)s1	2248727205	FPWLKRZASKWTNO-UHFFFAOYSA-N	351.276	2.409	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NCC3(CN=[N+]=[N-])CC3)CO[C@H]1C2	2266116229	XVXWTWJIYHAOND-PEBVRCNWSA-N	365.434	2.265	10	10	FECE	
CCOc1cc(C=C2SC(=S)N(CC(=O)OC)C2=O)ccc1O	2293080732	CXOMQKHHGMHAEV-UHFFFAOYSA-N	353.421	2.165	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1N(C(=O)COc1ccc(N)cc1)C2	2331525162	VAYZWNGWBPHEIX-SRCQZFHVSA-N	361.442	2.162	10	10	FECE	
Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3c(C)nn(C)c3C)C2=O)c(C)c1	59858272	KXSZBJQLJCWAIH-ZROIWOOFSA-N	367.409	2.233	10	10	FECE	
CN(C)[C@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)c1cnn(C)c1	173223546	GXTSTNHARKVNGH-GOSISDBHSA-N	371.485	2.107	10	10	FECE	
O=C(CN1CCN(Cc2cc3c(cc2O)CCC3)CC1)N1CCCCCC1	22787647	OUAZZYAUUQRQIU-UHFFFAOYSA-N	371.525	2.401	10	10	FECE	
CC(C)N1C[C@@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1=O	117975121	GBVAUKUDFPMSOF-DLBZAZTESA-N	360.454	2.157	10	10	FECE	
Nc1ccc(CC(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)CC2)cc1	125563263	QCTBBOMDKGZMFE-UHFFFAOYSA-N	371.868	2.378	10	10	FECE	
Cc1cc(C(=O)CN2CCN(CCO)[C@H](C)C2)c(C)n1-c1cccc(F)c1	187709451	HMFAPQPTLAARQL-MRXNPFEDSA-N	373.472	2.414	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3CC[C@](O)(C(F)(F)F)C3)ccc21	81489584	GITUAJOEZXDJOC-MRXNPFEDSA-N	357.376	2.278	10	10	FECE	
C[S@](=O)CCNCc1cc(Br)cc(Br)c1O	133246185	HLZDCGXJDWJJBR-MRXNPFEDSA-N	371.094	2.385	10	10	FECE	
O=C1COC[C@H](C[C@@H]2CN(C(=O)/C=C/c3cccnc3)c3ccccc32)N1	377467341	GGWCGXQIAWNFLS-PWHGLLLSSA-N	363.417	2.130	10	10	FECE	
Cc1cccc2c1N(C(=O)C1=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)CCN2	2381024199	URSWEEGUXUAIAR-JKSUJKDBSA-N	373.453	2.338	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)c1cc([N+](=O)[O-])cnc1O	807740382	USRBXYJSKUVAQV-UHFFFAOYSA-N	368.143	2.094	10	10	FECE	
COCC[C@H](COC)NC(=O)NC1CCN(c2ccc(OC)cc2)CC1	811955769	FUBJNQHNHKYZPK-MRXNPFEDSA-N	365.474	2.015	10	10	FECE	
O=C(C[C@H]1CCNC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	828357783	DPEDKUTXDKLQPZ-CYBMUJFWSA-N	353.413	2.373	10	10	FECE	
Cc1cc(C(=O)NCC(C)(C)[C@@]2(O)CCOC2)c(C)n1-c1ccccn1	844043595	CJZVIPDLJAKSSE-HXUWFJFHSA-N	357.454	2.397	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CS(=O)(=O)NC(C)(C)C	919849663	HLTZYSQZQFQGOL-UHFFFAOYSA-N	369.531	2.208	10	10	FECE	
CCN(C)c1ccc([C@H](C)NC[C@]2(CO)COCC3(CCC3)N2C)cc1	858465304	CHDSYVKGGJQFJU-UWJYYQICSA-N	361.530	2.409	10	10	FECE	
O=C(Nc1ccccc1C(=O)N1CCOCC1)N1Cc2cccc(O)c2C1	929499650	OYLPJTPMORWPGS-UHFFFAOYSA-N	367.405	2.412	10	10	FECE	
CCOC1(CS(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCOCC1	859115130	SKOZGZQBONLRHZ-HNNXBMFYSA-N	370.515	2.319	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CNC(=O)CC3CCCCC3)C2)cc1	855231604	WWKRMZASBQRVMA-QGZVFWFLSA-N	373.497	2.477	10	10	FECE	
COC(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)c1cc(C)n(-c2ccccn2)c1C	869986920	NDAOIWDIRHTKJU-FOIQADDNSA-N	371.437	2.282	10	10	FECE	
C[C@H](NC(=O)N1C[C@]2(C)CNC[C@]2(C)C1)c1ccc(N2CCOCC2)cc1	861566234	IQDWICMPWYLENV-ORYQWCPZSA-N	372.513	2.225	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@@H]2CCOC2=O)C1	769664530	GPCFKWFESSXWFU-GOSISDBHSA-N	356.422	2.267	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3CCC[C@@H]3O)cc2F)C[C@@H](C)O1	875118010	HUPDMTRIOXOPGI-GQGSAGHOSA-N	365.449	2.152	10	10	FECE	
COc1ccc(N2CCN(CCNCc3ccc(F)nc3C)CC2)cc1	785435769	GKHQTPBVJJHDRD-UHFFFAOYSA-N	358.461	2.450	10	10	FECE	
CC[C@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CCCOC1	898463608	KFRPTBJGROGBSA-AEFFLSMTSA-N	361.486	2.032	10	10	FECE	
O=C(CNC(=O)c1cc(-c2ccccc2)on1)NCc1c(O)cccc1F	1303877786	GZYMGGQWRSSVPD-UHFFFAOYSA-N	369.352	2.233	10	10	FECE	
O=C(O)[C@@]1(CNCc2cc(Br)cc(F)c2O)CCCOC1	1334053604	AXVCESZEVOZCES-CQSZACIVSA-N	362.195	2.265	10	10	FECE	
CC(C)[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C1CC1	1347704292	JPTJCARBIYMXED-LJQANCHMSA-N	373.497	2.032	10	10	FECE	
Cc1ccc2c(c1C)N(C(=O)C1=CC=CN3CCS(=O)(=O)N=C13)CCC2	1436818254	WQSPDDWWXVHUPI-UHFFFAOYSA-N	371.462	2.080	10	10	FECE	
COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H](C)C3(C)CC3)CC2)cc1	1602976101	XSEAQTZCVYRZGA-ROJDOSBLSA-N	371.481	2.205	10	10	FECE	
Cc1cc(CC(=O)NC[C@@H](O)[C@H](C)O)c(C)n1-c1ccc(Cl)cc1	1470645273	PZHDFASUGVLUJO-SUMWQHHRSA-N	350.846	2.148	10	10	FECE	
COc1cc(/C=C2/SC(=S)NC2=O)cc([N+](=O)[O-])c1OC(C)=O	3117807	KQHAMBYKDNOGSC-BJMVGYQFSA-N	354.365	2.018	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CCC2)n1Cc1ncn(C)n1	1711095407	LAGQAOMGCDNZFC-UHFFFAOYSA-N	353.430	2.064	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCCCc2nnc3n2CCCC3)cc1	1637738070	KJKPZDYVKVXFLC-UHFFFAOYSA-N	355.402	2.139	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)c3conc3C3CC3)cc2)CC1	1634974471	UUKSNNFULOIIJF-UHFFFAOYSA-N	368.437	2.184	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N3CC[C@@H](N=[N+]=[N-])C3)=NO2)C1	2124505786	PJIBTXNLVIBHIW-BDJLRTHQSA-N	364.406	2.054	10	10	FECE	
COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1	2124507986	MPAUNTSLPFUOAZ-STQMWFEESA-N	371.438	2.397	10	10	FECE	
O=C(NCc1ccccc1Cn1cncn1)NCc1c(O)cccc1F	1682023816	KKWPGFPHGCQGRR-UHFFFAOYSA-N	355.373	2.171	10	10	FECE	
C[C@H](O)c1ccc(N2CC[C@H]3CS(=O)(=O)C[C@@H]32)c(Br)c1	2151274885	UZIVHEMSEDDNKV-CHIMOYNISA-N	360.273	2.126	10	10	FECE	
C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)O)c1ccccc1O	2072481953	MWLYJAXGOXVCRO-RISCZKNCSA-N	352.431	2.234	10	10	FECE	
C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1COC1)c1ccccc1O	2072478752	ABZUBROPVOGXJZ-ABAIWWIYSA-N	350.415	2.109	10	10	FECE	
CC(C)(C)OC(=O)N1CCN([C@H]2CCN(Cc3ccc(N)cc3)C2)CC1	2106676079	WUCYJQVKBZYJIN-SFHVURJKSA-N	360.502	2.396	10	10	FECE	
COc1ccc(N2C[C@H](O)CC23CN(C(=O)OC(C)(C)C)C3)cc1F	2219614594	KXOBFWSMRGJFLR-CYBMUJFWSA-N	352.406	2.395	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC(C)(C)[C@H]1C(=O)N1CC[C@H](N=[N+]=[N-])C1	2253907689	VZFOYZJQCXRFBH-NWDGAFQWSA-N	353.423	2.312	10	10	FECE	
COc1ccc(N2CN=c3sc(=CC=Cc4ccco4)c(=O)n3C2)cc1	2296566878	WVGJMCHLLBGXKC-UHFFFAOYSA-N	367.430	2.060	10	10	FECE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(C)C3=O)c(Cl)nc12	2296697700	BJOUNNSNDNTADJ-UHFFFAOYSA-N	351.840	2.487	10	10	FECE	
COC[C@]1(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C=CCN1C(=O)OC(C)(C)C	2336343312	QYHANSQEWRVKPX-DYVFJYSZSA-N	365.434	2.480	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3cnc4ccccc4n3)cc2)CC1	4362558	LUOPADPMWTZHAA-UHFFFAOYSA-N	361.449	2.312	10	10	FECE	
O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)N1CCOCC1	35640703	SZMGNSIESQMZNZ-QBFSEMIESA-N	366.464	2.120	10	10	FECE	
O=S1(=O)CCN(C2CCN(Cc3c(O)ccc4ccccc34)CC2)CC1	190989766	PLZZAYMSGPRAIU-UHFFFAOYSA-N	374.506	2.240	10	10	FECE	
C[C@H]1CC(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@H](C)O1	94019609	BIMQFIDMEFUQDL-KBPBESRZSA-N	350.434	2.482	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccnc(N4CCCC4)n3)CC2)cc1	242827596	FOMRTZMLXUMRJD-UHFFFAOYSA-N	367.453	2.048	10	10	FECE	
Cc1nc([C@@H]2COCCN2C(=O)NCc2ccc(N3CC=CC3)cc2)no1	360988260	CMNPXVODHPHVCE-KRWDZBQOSA-N	369.425	2.037	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2cnc(O)[nH]2)C1	614997287	XKWDCTJTVAEWJC-UHFFFAOYSA-N	367.453	2.153	10	10	FECE	
COc1cc(N2CCN(C(=O)N[C@@H]3CC[C@@H]3C)CC2)cc(OC)c1OC	805866412	MCCYWSFYRSJWDY-DZGCQCFKSA-N	363.458	2.343	10	10	FECE	
Oc1ccc(Br)cc1CN1CCC(N2CC[C@H](O)C2)CC1	827699586	JIYVMUCXGYKIPN-HNNXBMFYSA-N	355.276	2.186	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N(C)Cc3cnn(C)c3C)C2)cc1	823733409	NDVZTZDWTNBFKK-INIZCTEOSA-N	371.485	2.405	10	10	FECE	
O=S1(=O)C[C@H](CNCc2ccc(N3CCOCC3)cc2)c2ccccc21	824517549	YPHAHYBQPPDELI-KRWDZBQOSA-N	372.490	2.184	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CC[C@H](C(=O)O)O1	901743228	IGXRXIXIULWDDF-QWHCGFSZSA-N	372.215	2.135	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)NCC1(C(=O)O)CCOCC1	831068613	ZUOLNVWKDIWDRB-UHFFFAOYSA-N	350.415	2.195	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCc2ccccc2[C@H]1CN	844225055	WUFFOBFHENFFBE-OAQYLSRUSA-N	366.509	2.269	10	10	FECE	
O=C(O)/C=C/c1ccc(N2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c([N+](=O)[O-])c1	844215066	CRNCRVJYDIGSEO-FUBBJUHLSA-N	362.382	2.059	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)c1	849564588	QACQFWYMDOITTK-QANKJYHBSA-N	372.469	2.047	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CCN(C(=O)OC)CC2)c1O	921051964	SGRFJQFYKJDFCM-UHFFFAOYSA-N	358.394	2.216	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H](C(C)C)N3CCCC3=O)C2)cc1	855229623	KPGPGRSIZMGQAY-KXBFYZLASA-N	359.470	2.037	10	10	FECE	
CCn1c(O)nnc1C1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1	853245178	VDJKNWILMNPNRU-UHFFFAOYSA-N	372.473	2.159	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CC(O)(c3ccc(Cl)cc3)C2)cc1	852020885	PVZJDOADSYIGCX-UHFFFAOYSA-N	373.884	2.226	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1C[C@H]1C1CCOCC1	869210475	JSYHMRTVUGGMEK-VQTJNVASSA-N	373.497	2.262	10	10	FECE	
COc1ccc(N2CC[C@H](Nc3c(F)cccc3S(N)(=O)=O)C2)cc1	865932072	NQEDVRXJGPUZTB-LBPRGKRZSA-N	365.430	2.173	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCC[C@@H]1CCSC1	867423145	CNLNFTQULYDILL-CQSZACIVSA-N	350.484	2.390	10	10	FECE	
CCOc1ccc(O)c(CNCc2cccc([C@]3(C)NC(=O)NC3=O)c2)c1	1116488646	SYSBAQUHCABNDB-FQEVSTJZSA-N	369.421	2.135	10	10	FECE	
COc1cc(C)cc(CNCc2ccc(CN3C(=O)CNC3=O)cc2)c1O	895453246	ACCSSZYSJIIWHQ-UHFFFAOYSA-N	369.421	2.051	10	10	FECE	
Cc1cc(CC(=O)NCCC[C@@H]2C=NNC2=O)c(C)n1-c1ccccc1	898741673	CBJWFGVQSPOUQD-MRXNPFEDSA-N	352.438	2.265	10	10	FECE	
COc1ccc(CNC(=O)c2cc(C3CC3)nc3c2c(O)nn3C)c(O)c1	794383358	LNHJIPUVWISLRA-UHFFFAOYSA-N	368.393	2.196	10	10	FECE	
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N(C)Cc1ccccc1O	1964874352	QXZLXPBBRRZDJP-XJKSGUPXSA-N	364.442	2.375	10	10	FECE	
C[C@H](NC(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1O	1171731067	XDEJPJKGASURSU-RYUDHWBXSA-N	363.414	2.239	10	10	FECE	
Nc1cc(CCCNC(=O)Cc2ccc(O)c(O)c2)nn1-c1ccccc1	1444431268	KZPQEUKPJLNBDJ-UHFFFAOYSA-N	366.421	2.157	10	10	FECE	
CCc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CCCOC	1292832591	FFGZWVIXVHNBHW-UHFFFAOYSA-N	373.501	2.350	10	10	FECE	
CN(C)c1ccc(CNC(=O)[C@H]2Cc3cc(F)ccc3NC2=O)cc1F	1544308362	JISSXCRTKHTLTR-CQSZACIVSA-N	359.376	2.458	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3ccc4ncn(C)c4n3)C2)cc1	1627162497	BYGUKDUALKHOFI-CQSZACIVSA-N	365.437	2.233	10	10	FECE	
COc1cc(C(=O)N[C@H](C)CNC(=O)[C@@H]2C[C@H]2CC(C)C)cc(OC)n1	1720941183	SCXGXBUGGZZYMZ-UMVBOHGHSA-N	363.458	2.016	10	10	FECE	
COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccccc1O	1632255636	SZHIQDDKQOTVNZ-AAEUAGOBSA-N	366.414	2.026	10	10	FECE	
CC(C)(C)OC(=O)NCC1(O)CC(C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)C1	2124541439	SPXFZFYJZBRYPM-POZPTJLLSA-N	367.450	2.201	10	10	FECE	
CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CCC(N=[N+]=[N-])CC2)CC1	2124533075	NYNDMDZFARFPOI-UHFFFAOYSA-N	366.466	2.277	10	10	FECE	
COC(=O)[C@H](C)N1C(=O)/C(=C\c2ccc(C(=O)O)cc2)SC1=S	6097221	IUIGRXPPGWDYGK-LBTPYSACSA-N	351.405	2.148	10	10	FECE	
CC[C@@H]1[C@@H](C(=O)NC/C=C/CNCc2ccc(OC)c(C)c2)CCN1C	1699258377	CIJIBTHFCBVKHA-HMTUNPETSA-N	359.514	2.496	10	10	FECE	
C[C@@H]1CCCCN1C(=O)CSc1nc(-c2ccco2)nc2cc(=O)[nH]n12	15732582	DTGOBCIEGDPSMI-LLVKDONJSA-N	373.438	2.171	10	10	FECE	
CCCCS(=O)(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C	169814150	KTBMHFHCCRIFSU-INIZCTEOSA-N	350.488	2.295	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@H](O)c3cccc(OC)c3)CC2)cc1	154420452	GDUXKDBWNFMNRE-LJQANCHMSA-N	356.422	2.086	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NCc2ccccc2O)CC1	1921700960	DFGQNROGNCMRJA-HZPDHXFCSA-N	350.459	2.490	10	10	FECE	
COc1cc(Cl)cc(CN[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1O	2032630095	MEOKWHBTYNXKID-QWHCGFSZSA-N	372.849	2.436	10	10	FECE	
COc1ccc([C@H](C(C)C)n2nc(C(F)F)c(C(N)=O)c2N)c(O)c1	2079856904	WKWRLXDGEYTNQO-ZDUSSCGKSA-N	354.357	2.461	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)NCCCCN=[N+]=[N-])C1	2060615784	SGTKUGSNUDTVML-BLLLJJGKSA-N	353.423	2.219	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CO1	2060618190	WMHVEZRGWQHEST-AVGNSLFASA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1cncs1)C(=O)N1CC[C@H](N=[N+]=[N-])C1	2060610730	KYPYWPDTVQUAHV-CMPLNLGQSA-N	366.447	2.490	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](CCF)(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1	2082287673	GSRXCAPWBSAKDK-SNUQEOBHSA-N	356.438	2.239	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NC(=O)CCOc2ccc(N)cc2)C1	2230683665	MZQZWMVEVBRBQR-DJJJIMSYSA-N	361.442	2.163	10	10	FECE	
COc1ccc(Br)c(CN[C@@]23COC[C@H]2C3(F)F)c1O	2236055716	RLRBPOYNWSZNEV-PWSUYJOCSA-N	350.159	2.287	10	10	FECE	
NC(=O)CC[C@@H]1CCCN(C(=O)C=Cc2ccc(N3CCOCC3)cc2)C1	2297505679	IHJROAPMVUWORN-SFHVURJKSA-N	371.481	2.041	10	10	FECE	
C[C@H]1N(C(=O)OC(C)(C)C)C[C@@]1(NCc1ccc2c(c1)CCO2)C(=O)O	2349083032	WHBPBTUWFKPIIC-BLVKFPJESA-N	362.426	2.174	10	10	FECE	
CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(N3CCCC3)cc1)CC2	172310228	GFDSRBWZSGURCC-INIZCTEOSA-N	368.485	2.255	10	10	FECE	
C[C@H](N)c1ccc(N2CC[C@H](N3CCOCC3)C2)c(Br)c1	62980905	GRXHXQMMIMLRSF-JSGCOSHPSA-N	354.292	2.380	10	10	FECE	
C[C@@H](CN[C@H](C)c1ccc(N2CCOCC2)cc1)CN1CCN(C)CC1	120780794	QZWJOGSIAOJWLR-RBUKOAKNSA-N	360.546	2.057	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cc1	185558202	WUJKIFMFDKJYQV-IAGOWNOFSA-N	362.518	2.129	10	10	FECE	
Cn1cnc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)c1Cl	130699785	KJTDUFZTAGSDJI-UHFFFAOYSA-N	355.832	2.393	10	10	FECE	
Cc1cc(/C=C\C(=O)N[C@@H]2CCC(=O)NC2=O)c(C)n1-c1ccccc1	255889454	OOSDZUSIAQINQM-SECOEOQKSA-N	351.406	2.029	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)C(=O)N(C)C)C1	444249520	XBWOFBMDDLUEAY-OAHLLOKOSA-N	370.497	2.001	10	10	FECE	
CN1CCCc2cc(CNC(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)ccc21	287655025	VDYILWPXHKIXFJ-SJLPKXTDSA-N	363.502	2.026	10	10	FECE	
CC(C)NC(=O)CCCC(=O)NCc1cc(Br)ccc1O	804737874	SCBHOJABDPKYSR-UHFFFAOYSA-N	357.248	2.466	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)CN(C)Cc1nnc(C)n1C	801548180	BFHGDWGTNYFWHU-UHFFFAOYSA-N	359.474	2.090	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)c1ccn(-c2ccc(N)cc2)n1	2162514736	BYQGHVFYDONICQ-OAHLLOKOSA-N	371.441	2.194	10	10	FECE	
C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1[C@H](C)C(=O)Nc1ccc(N)cc1	2162953301	VFGWPTKQFOXGPO-WDMOLILDSA-N	372.391	2.127	10	10	FECE	
CC(C)C(=O)N1CCC[C@@H]1C(=O)NCc1cc(Br)ccc1O	804735885	HMXSHRSXECFYCZ-CYBMUJFWSA-N	369.259	2.418	10	10	FECE	
CCO[C@@H]1C[C@H](N[C@H](C)c2cc(C(=O)OC)ccc2O)[C@H]1n1cccn1	815660005	PMLROSVOYLKUHT-UOAMXJAYSA-N	359.426	2.445	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1O	825124680	WAFBPIBWTWOIIQ-RNCFNFMXSA-N	350.293	2.054	10	10	FECE	
CN(C)C(=O)N(C)[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1	827544474	BSSYFEYBFSIPGT-GFCCVEGCSA-N	356.810	2.142	10	10	FECE	
CN(C)c1ccc(/C=C\CNCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1	835042164	HBCFSWYTRBWARH-OACYKYTESA-N	365.477	2.163	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3onc4c3CCCC4)cc2)CC1	918847351	ZPHISHMWCULQPS-UHFFFAOYSA-N	354.454	2.235	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@]3(Cl)C[C@H]4CC[C@H]3O4)C2)cc1	912292636	NQFOJVAGLNTMGQ-UOQGXUADSA-N	350.846	2.319	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](CO)[C@H](O)c1cccnc1	913568645	XOPPPBFYYVVROW-DOTOQJQBSA-N	371.462	2.375	10	10	FECE	
Cc1cc(CC(=O)NC[C@@H](CO)[C@H]2CCOC2)c(C)n1-c1ccccc1	846985913	FZYWWXDFEUYBRD-HKUYNNGSSA-N	356.466	2.398	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)N(CCO)C[C@@H]2C)cc1	842174911	OTNIQHCCJKCFCY-IRXDYDNUSA-N	362.518	2.129	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N3CCO[C@H]([C@@H](C)O)C3)cc2)CC1	840290970	BRQHKVHTIGKSQA-APWZRJJASA-N	361.486	2.214	10	10	FECE	
CCC(CC)NC(=O)[C@H]1CN(C(=O)C=C2CCNCC2)c2ccccc2O1	852827673	NAVKHHRLIAFFCV-LJQANCHMSA-N	371.481	2.395	10	10	FECE	
C[C@H](NC(=O)N1C[C@H]2COC[C@@]2(C)C1)c1ccc(N2CCOCC2)cc1	852012315	JBZJTFIBFWBIKI-RIFZZMRRSA-N	359.470	2.262	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3c(C)oc4ncnc(O)c34)C2)cc1	855228928	HTDADWKZXADGEG-LBPRGKRZSA-N	368.393	2.254	10	10	FECE	
CCOC(=O)[C@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCC1(F)F	870920531	XRMWYMJEMHLSQB-TXNVCOODSA-N	355.337	2.158	10	10	FECE	
COc1cc(OC)c(CNC(=O)/C=C/c2ccc(O)c(O)c2)c(OC)c1	779499478	HTZGTMDCDXOBDE-FNORWQNLSA-N	359.378	2.453	10	10	FECE	
O=C(CCN1CC[C@H](F)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	1137727394	ILRGGKUJVLHLDZ-IRXDYDNUSA-N	350.434	2.334	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cnc(CC2CC2)nc1	792984770	JUYRKOJGDFGKIU-UHFFFAOYSA-N	367.453	2.058	10	10	FECE	
CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(N=NC(N)=O)cc1	1136004939	BEOPMHMVDFVXGX-CYBMUJFWSA-N	363.443	2.231	10	10	FECE	
Cc1nc(O)ccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	1465423348	SIKQVNCXRZSZQJ-UHFFFAOYSA-N	359.401	2.126	10	10	FECE	
CCONC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S	1539914543	WLKLXGGYQCFZPT-FMIVXFBMSA-N	354.428	2.485	10	10	FECE	
CCc1ccccc1-n1cc(C(=O)NCc2ccc(OC)cc2O)nn1	1467472065	WOGYZLVEPXJCQP-UHFFFAOYSA-N	352.394	2.474	10	10	FECE	
Cc1ccc(C(=O)NCCNC(=O)c2ccc(N=NC(N)=O)cc2)cc1F	1540632884	UPWNCQIIDLMBOX-UHFFFAOYSA-N	371.372	2.456	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1cccc(CN2C(=O)CSC2=O)c1	1626838165	OVCGRXIBISBCFO-UHFFFAOYSA-N	372.402	2.223	10	10	FECE	
Cc1cc(CC(=O)NCc2nnc(O)n2C)c(C)n1-c1ccc(Cl)cc1	1639217378	RHUSJEWWWROPKH-UHFFFAOYSA-N	373.844	2.441	10	10	FECE	
Nc1ccc(F)cc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	1566025686	GMTSMBPVYVNGSP-UHFFFAOYSA-N	361.392	2.438	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(CC(F)F)C3)CC2)cc1	1566326596	RSTQXWOQTNLVGJ-OAHLLOKOSA-N	367.440	2.321	10	10	FECE	
CC(C)(C)OC(=O)[C@@H]1COCCN1C(=O)c1ccc(N=NC(N)=O)cc1	1632838920	FNWVVDNYSDUCAL-ZDUSSCGKSA-N	362.386	2.032	10	10	FECE	
CC(C)(C)OC(=O)N1CCCN(CC(=O)N2CCC[C@@H]2CN=[N+]=[N-])CC1	2124515616	MNRFHQLHIMXRLT-CQSZACIVSA-N	366.466	2.231	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1cn2c(Br)cnc2s1	1651225471	KUDVGFPHDWWZIO-UHFFFAOYSA-N	368.212	2.500	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@H]1CCCCN1C(=O)c1cccs1	1652622750	HRGXXFSRAMMFNK-CYBMUJFWSA-N	360.435	2.470	10	10	FECE	
CO[C@H]1CCN(c2nnc(C)n2Cc2ccc(N3CCSCC3)cc2)C1	1771330389	LZKWHDQKCIIKAH-SFHVURJKSA-N	373.526	2.413	10	10	FECE	
COc1ccc(-c2cc(C(=O)NCCc3ccc(O)c(O)c3)n(C)n2)cc1	1860199261	MAXDWJBZCCTFIA-UHFFFAOYSA-N	367.405	2.479	10	10	FECE	
CC[C@H](NC(=O)c1ccco1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862036548	HWXXZIMPPPXTCP-KRWDZBQOSA-N	371.437	2.145	10	10	FECE	
C[C@@H](N)c1ccc(N2C[C@@H]3[C@H](CCS3(=O)=O)C2)c(Br)c1	2145072515	KJXCNOGDGYVDJW-GLXFQSAKSA-N	359.289	2.092	10	10	FECE	
O=S1(=O)CCC[C@]12CCN(Cc1ccc(Br)cc1O)C2	708638826	CIVZTXLBTOAYHH-CQSZACIVSA-N	360.273	2.308	10	10	FECE	
O=C(NC[C@@]12CN(Cc3ccccc3)C[C@@H]1CCO2)c1cccc(O)c1O	2175196528	CVTONKBAVABUKH-HRAATJIYSA-N	368.433	2.119	10	10	FECE	
CCN(CCCNS(=O)(=O)Cc1ccc(N)cc1)C(=O)OC(C)(C)C	2044248818	AFTRZZYZFWJOLK-UHFFFAOYSA-N	371.503	2.335	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)[C@@H]2CCC[C@H]21	2053218365	FUFSSPXQNNYBEV-FOQYWMHZSA-N	350.459	2.191	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N[C@H](C)c1c(O)cccc1O	2058679590	JKVBAIBZKXNPMW-TYNCELHUSA-N	352.431	2.383	10	10	FECE	
C[C@@](NC(=O)C(F)(F)F)(C(=O)N1CCC[C@@H]1CN=[N+]=[N-])C(F)(F)F	2060639615	KADAXAADYQKABA-HZGVNTEJSA-N	361.246	2.287	10	10	FECE	
COc1cccc(CN=c2nc(CNC(=O)OC(C)(C)C)[nH]s2)c1O	2067324472	QISQJFIIUWACCE-UHFFFAOYSA-N	366.443	2.311	10	10	FECE	
CCN1CCc2cc([C@H](N)[C@H](O)C3CN(C(=O)OC(C)(C)C)C3)ccc21	2106859631	LKVUBOZFNIGZEN-ZWKOTPCHSA-N	361.486	2.297	10	10	FECE	
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1ccc(CO)cc1Br	2114228384	PBCSAXVKYDJOQA-UWVGGRQHSA-N	350.278	2.199	10	10	FECE	
CC(C)(C)OC(=O)NCC12COC(C(=O)N[C@@H]3CCC[C@@H]3N=[N+]=[N-])(C1)C2	2225791402	CYOOAGZTFNWUJO-YHSCQJQJSA-N	365.434	2.408	10	10	FECE	
O=C(NN1C(=O)C(=Cc2cccnc2)SC1=S)c1ccc(O)cc1	2296925663	ULQZQJYUIFOLEN-UHFFFAOYSA-N	357.416	2.333	10	10	FECE	
C[C@@H](NC(=O)[C@@H]1CCOC[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O	2332172807	KHUZZDGWNREHCN-YUELXQCFSA-N	364.442	2.499	10	10	FECE	
O=C(CCn1c2c(c3ccccc31)CCCC2)OCCN1CCOCC1=O	1848886285	XZGMGTSEVRIALQ-UHFFFAOYSA-N	370.449	2.312	10	10	FECE	
C[C@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1O)N1CCOCC1	101786475	DCWAGFUWMULSIY-MRXNPFEDSA-N	373.453	2.418	10	10	FECE	
O=C(c1ccc(F)cc1)N1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1	170908460	WQSNEACOFPGZBP-UHFFFAOYSA-N	359.357	2.398	10	10	FECE	
CCN1CCC[C@H](NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)C1	126819558	WLHSRRHLJJEVRY-HNNXBMFYSA-N	364.465	2.150	10	10	FECE	
C[C@@H](O)CCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	74841195	TXPMNMKPFIFTKA-OLZOCXBDSA-N	357.401	2.327	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cnccc1N(C)C	183483974	IWGNXZSLIOXGBZ-UHFFFAOYSA-N	354.454	2.256	10	10	FECE	
Cc1cccn(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1=O	181717377	IGTWBQXLQNHVCW-QGZVFWFLSA-N	356.422	2.070	10	10	FECE	
COc1cc(N(C)CC2CCN(C[C@H](C)O)CC2)c([N+](=O)[O-])cc1OC	121556842	YVVXMPSOURBHLQ-ZDUSSCGKSA-N	367.446	2.141	10	10	FECE	
CCCCOC(=O)[C@@H](C)NC(=O)/C=C/c1ccc(N2CCOCC2)cc1	81359254	BYYWCVKSLKHMLX-OJXHRBAXSA-N	360.454	2.384	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3CCO[C@@H](C4CC4)C3)CC2)cc1	130104262	ZAMNUNDRVDGGBZ-VQIMIIECSA-N	359.470	2.484	10	10	FECE	
Nc1ccc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1	193336866	YEABAAGYGNGSTI-UHFFFAOYSA-N	372.406	2.246	10	10	FECE	
C[C@@H](OCC(=O)NCc1ccc(N2CCSCC2)cc1)c1nccn1C	805166713	QCDSWEFGCVMEJS-OAHLLOKOSA-N	374.510	2.367	10	10	FECE	
O=C(COc1ccccc1)N1CC[C@@H](NCc2ccc3c(c2)CCO3)C1	800899708	UQFYZBYAOGNZDD-GOSISDBHSA-N	352.434	2.391	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C	808508800	DSLSORKEUDZZSZ-FQEVSTJZSA-N	369.417	2.224	10	10	FECE	
COc1ccc(N2CCN(CCCN=c3cc[nH]cc3[N+](=O)[O-])CC2)cc1	727431769	VPSURZSKCQTMJJ-UHFFFAOYSA-N	371.441	2.045	10	10	FECE	
CCC1(NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCC1	820986010	KBQOOWCABMOIGA-UHFFFAOYSA-N	365.499	2.053	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N3CC[C@@H](N4CC=CC4)C3)C2)cc1	824692982	ITIVERNHHXVWCB-PKOBYXMFSA-N	370.497	2.177	10	10	FECE	
CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1cc(O)cs1	732352814	HYSYFWNMHKDRET-UHFFFAOYSA-N	360.391	2.374	10	10	FECE	
Cc1[nH]nc(Cl)c1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	900268409	AUYSKKLNXZCZHV-UHFFFAOYSA-N	352.797	2.277	10	10	FECE	
Cc1cc(CC(=O)N2CCN3CCOC[C@H]3C2)c(C)n1-c1ccccc1	832131119	JIPHQFARMYBZKU-HXUWFJFHSA-N	353.466	2.180	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3CC[C@@H]3C(=O)O)cc2F)C[C@H](C)O1	911228987	WXYVZBOELSVJNR-VIRABCJISA-N	364.417	2.166	10	10	FECE	
CC(C)[C@@H](CNC(=O)NCc1cc(Br)ccc1O)C(=O)O	848590313	LMHGWEGBPDLCDJ-LLVKDONJSA-N	359.220	2.311	10	10	FECE	
COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1c(O)cc(C)cc1Cl	840921492	TZBWVDRQWXFZBG-VDERGJSUSA-N	367.829	2.279	10	10	FECE	
CS(=O)(=O)Cc1nc(CN2CCCc3cc(CN)ccc32)cs1	844219197	HSQSXHLXIGMVIS-UHFFFAOYSA-N	351.497	2.099	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@H](O)CC(F)(F)C1	840478874	CPTRZPBUVFOLHT-XJKSGUPXSA-N	355.429	2.404	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C3CCN(C(=O)C(C)C)CC3)C2)cc1	855230876	FWNISOFPNNBXTL-QGZVFWFLSA-N	373.497	2.285	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3ccc(F)cc3C)C2)cc1	850536412	KEEVQMCLBMCNHQ-HNNXBMFYSA-N	371.412	2.476	10	10	FECE	
CCC(CC)N1C[C@H](C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1=O	855231859	MXRWBZUZFICVEC-CVEARBPZSA-N	373.497	2.427	10	10	FECE	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCO[C@H](CC(N)=O)C3)c2C)cc1	860016503	MEFDPEGFACLODI-GOSISDBHSA-N	369.465	2.161	10	10	FECE	
COCCc1ccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)O)cc1	776435041	WVVFMEJPVWMMCE-UHFFFAOYSA-N	351.380	2.080	10	10	FECE	
CC(C)N1CCC(O)(CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1	896982704	XETJAGNMAGXENI-UHFFFAOYSA-N	364.467	2.278	10	10	FECE	
O=C1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCN1	784461759	MJOCIKQNFYTULM-UHFFFAOYSA-N	365.393	2.389	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CCC3(CC2)COC(=O)N3)c1O	784023564	OALHCBUFUJEYPM-UHFFFAOYSA-N	370.405	2.406	10	10	FECE	
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(CN=[N+]=[N-])CC2)CC(CO)C1	1879573621	FAACNSMMVIKKJX-UHFFFAOYSA-N	367.450	2.201	10	10	FECE	
COc1ccc(N2CCN(CCN[C@@H]3CCN(C)[C@H]4CCC[C@H]43)CC2)cc1	796728540	OAJCLMQDWIDBID-BDTNDASRSA-N	372.557	2.280	10	10	FECE	
O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(C(=O)O)cc1	1083995008	KUCMJQIAOCUVGR-XFXZXTDPSA-N	370.361	2.355	10	10	FECE	
COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccccc1O	881440647	JUFWAPPNVOGYMI-OCCSQVGLSA-N	352.431	2.499	10	10	FECE	
COCCNC(=O)[C@H](C)NCc1cc(Cl)cc(Br)c1O	708072824	JXIGFRCPQFJVEZ-QMMMGPOBSA-N	365.655	2.049	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N2CCSC[C@H]2CO)CCCC1	1566499451	RGPWMLTVZMKEGO-CQSZACIVSA-N	374.506	2.465	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@H](O)C(C)(C)CC)cc2F)CC1	1565645217	WDNSWGIRCFKGLG-SFHVURJKSA-N	365.493	2.381	10	10	FECE	
C[C@H](NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)c1ccccc1O	1635798920	IJVIITILXZTAJV-LBPRGKRZSA-N	350.378	2.168	10	10	FECE	
C[C@H](N=c1nc(CCNC(=O)OC(C)(C)C)[nH][nH]1)c1cc(F)ccc1O	2126783828	NGLOWSUIKGCWCQ-JTQLQIEISA-N	365.409	2.312	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)c2nnc3n2CCCC3)c1	153522766	QJTYGYVTAOZHGG-VXGBXAGGSA-N	359.430	2.450	10	10	FECE	
CN1CCc2cc([C@@H](CN)N3CCN(Cc4ccccc4)CC3)ccc21	386822305	MGSQJJHXZLDFCI-JOCHJYFZSA-N	350.510	2.497	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1	2044647134	XSFVUTBFKXPJSH-OAHLLOKOSA-N	369.487	2.040	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2cccc(O)c2O)C1	2054410944	SFNRUPUCCSHYPY-VXGBXAGGSA-N	350.415	2.473	10	10	FECE	
O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1	2188918500	FPJXNBDKNCVFCP-RDJZCZTQSA-N	368.433	2.398	10	10	FECE	
CN(CCOc1ccc(N)cc1)[C@@]1(CNC(=O)OC(C)(C)C)CCOC1	2106754522	QFLIQVSJNDCRIU-LJQANCHMSA-N	365.474	2.263	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](NCc2ccc(O)c(O)c2)C[C@]12CCOC2	2098975081	FTQGHCWLSMKIKI-KUHUBIRLSA-N	364.442	2.356	10	10	FECE	
CC(C)(C)OC(=O)NCc1ncc(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])cn1	2225793539	XWLAUOKIWFAFDN-RYUDHWBXSA-N	361.406	2.463	10	10	FECE	
CC(=O)NC1=NC(=O)C(=Cc2cn(C(C)=O)nc2-c2ccccc2)S1	2295157371	LAFKWDUNTHDDAB-UHFFFAOYSA-N	354.391	2.317	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N1CCC[C@H](C2OCCO2)C1	2297505736	XLFNNAZGTNZXGJ-SFHVURJKSA-N	372.465	2.148	10	10	FECE	
COC(=O)[C@H]1CCN(C(=O)C=Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C	2311498085	GKRLSJMSZLHZAW-LPHOPBHVSA-N	372.465	2.194	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@H]1COC[C@H]1N(CC)C(=O)OC(C)(C)C	2315992003	GCOLPVUAOHNWKS-QWHCGFSZSA-N	355.439	2.417	10	10	FECE	
COC[C@@]1(C)C[C@@H](NC(=O)OC(C)(C)C)CN1Cc1cc(N)ccc1O	2338819644	OINCTWCJDDZEIQ-DNVCBOLYSA-N	365.474	2.479	10	10	FECE	
COc1cccc2c1OCC(/C=C1/SC(=S)N(CC(=O)O)C1=O)=C2	8488193	OOLIFGQQKMJEPE-WUXMJOGZSA-N	363.416	2.300	10	10	FECE	
COc1cc(/C=C2/C(=O)NN(c3ccc(C)cc3)C2=O)cc([N+](=O)[O-])c1O	27501281	LSPXELCXNCFDKU-QPEQYQDCSA-N	369.333	2.079	10	10	FECE	
Cc1cc(C(=O)N2CCOC[C@H]2C(N)=O)c(C)n1-c1ccc(Cl)cc1	180268664	VQEOYARHWITNQY-INIZCTEOSA-N	361.829	2.074	10	10	FECE	
COc1ccc(CN2CC[C@H]2CNCc2cc3c(cc2O)OCO3)cc1	527775344	SQAVWWSIWJGBFG-INIZCTEOSA-N	356.422	2.494	10	10	FECE	
C[C@@H]1C[C@H](N(C)C(=O)/C=C\c2ccc(N3CCOCC3)cc2)CCN1C	255081292	LOZMJZCDJZSVCA-UPVPCIMBSA-N	357.498	2.478	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC3CCN(C(N)=O)CC3)cc2F)C[C@@H](C)O1	268850033	KADUCXKIWAZNGK-ZIAGYGMSSA-N	364.465	2.072	10	10	FECE	
CCCC(=O)NCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	363453915	FOZBRMZPKVRYOH-UHFFFAOYSA-N	369.412	2.289	10	10	FECE	
COc1cc(N2CCN(C(=O)NC[C@@H]3C[C@H]3C)CC2)cc(OC)c1OC	273920613	IPHRFTVMSCZZRL-KGLIPLIRSA-N	363.458	2.200	10	10	FECE	
Cc1cc(Cl)cc(CNC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1O	373189983	KEDJEOUEWVQKRB-SJKOYZFVSA-N	351.834	2.164	10	10	FECE	
O=C(COc1ccccc1)N1CC[C@H](NCc2cc([N+](=O)[O-])ccc2O)C1	282890207	DKNXJKHTPDRPOS-HNNXBMFYSA-N	371.393	2.070	10	10	FECE	
COC[C@@H](C)S(=O)(=O)N(C)Cc1ccc(C)c(Br)c1O	2381130337	XJBARGJSGYUERU-SNVBAGLBSA-N	366.277	2.260	10	10	FECE	
CCn1cc(CNC(=O)NCc2cc(Br)ccc2O)cn1	805824702	WXIUQHYXAJYQPL-UHFFFAOYSA-N	353.220	2.371	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3CC4(CCCOC4)C3)C2)cc1	824688099	WDCHWCRVOAUWJJ-MRXNPFEDSA-N	359.470	2.344	10	10	FECE	
CO[C@H]1COCC[C@H]1CC(=O)NCc1ccc(N2CCSCC2)cc1	822586634	VNRADFSKJGQPFQ-WMZOPIPTSA-N	364.511	2.298	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N1C[C@H](O)C[C@@H]1[C@H]1CCCOC1	837626398	KLAXNUFIXMRTGE-DFQSSKMNSA-N	373.497	2.358	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)N1C(=O)N[C@H](c2ccn(C)n2)C1=O	842264351	IIMREKRGSTUBHP-SUMWQHHRSA-N	355.442	2.019	10	10	FECE	
Cc1cc(CN2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(O)c(C(C)(C)C)c1	842632312	JRFJSYMEWNFGJJ-IBGZPJMESA-N	367.511	2.388	10	10	FECE	
COc1ccc(N2CC[C@H](N[C@H]3CCCC[C@H]3S(C)(=O)=O)C2)cc1	850489467	UTSGJDGFYISUQZ-JCGIZDLHSA-N	352.500	2.219	10	10	FECE	
COC[C@@H](CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1)C(C)C	924006820	LJQMZXZKPOKBMI-GOSISDBHSA-N	362.518	2.156	10	10	FECE	
Cc1ccc(C(=O)NC2(C(=O)OC(C)(C)C)CCOCC2)c(O)c1O	856393981	ZFMSHAJBLRKIGJ-UHFFFAOYSA-N	351.399	2.027	10	10	FECE	
Cn1cc([C@H](NCc2ccc(N3CCOCC3)cc2)C2(CO)CCC2)cn1	930534330	ASPFVSRQJUMVKM-FQEVSTJZSA-N	370.497	2.250	10	10	FECE	
C[C@@H](O)[C@H](O)CNCc1ccc(N2CCCCC2)c(Br)c1	865739652	YMAWQAHHSBBPMR-MLGOLLRUSA-N	357.292	2.271	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1[C@H]2CC[C@H]1c1c[nH]nc1C2	931298175	KSGBSQWGHVJBGD-LPHOPBHVSA-N	353.470	2.196	10	10	FECE	
C[C@H](NC(=O)NCc1noc(C2CC2)n1)c1ccc(N2CCOCC2)cc1	763483854	ANWWEWKOSIHZHX-ZDUSSCGKSA-N	371.441	2.344	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC[C@@H]2CCNC2=O)C1	774707132	WIROQOIRRDNMSY-HNNXBMFYSA-N	369.465	2.087	10	10	FECE	
CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)NCc2cccc(Cl)c2O)C1	894893203	FLWGTXAZKIFGKI-SQWLQELKSA-N	365.861	2.492	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NC(=O)c3cccc(O)c3O)[C@H]2C1	1962830730	LTVYRKPVUABOKN-UBHSHLNASA-N	362.426	2.473	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3[C@H]4CCC[C@H]43)cc2)CC1	1322815224	CKYQSOCXLVMTLB-BWTSREIZSA-N	355.482	2.454	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H]1CCC2(CCC2)CO1	1350547746	XKAJVFQOOHBDPA-GOSISDBHSA-N	373.497	2.177	10	10	FECE	
COCCN(Cc1c(C)nn(C)c1C)C(=O)c1ccc(N=NC(N)=O)cc1	1298980767	RNXMVZMBSRUPRB-UHFFFAOYSA-N	372.429	2.488	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnc4c[nH]nc4c3)CC2)cc1F	1294824167	JFWSXRXMEBPDOF-UHFFFAOYSA-N	355.373	2.068	10	10	FECE	
Cc1nc(I)cc(=NCc2ccc(N(C)C)cc2)[nH]1	2121026018	REBPDZGCTLGQRG-UHFFFAOYSA-N	368.222	2.490	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)COc2ccc(N)cc2)[C@@H]2C[C@H]21	2121246360	UTCUFDDTFAAHDB-HRCADAONSA-N	361.442	2.162	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](Nc3c(N)cccc3C(=O)O)CO[C@H]2C1	2121656978	LILIDRZBWZUXLM-UBHSHLNASA-N	363.414	2.013	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1C[C@H]2CC[C@H]1O2	1623928939	SHKKLGDGDIZGAF-VNHYZAJKSA-N	353.802	2.115	10	10	FECE	
CCN(CC)CCO[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1	1629611704	TWHDSRBVXOCFME-MRXNPFEDSA-N	361.446	2.422	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCS(=O)(=O)CCO2)c1C	1648120646	QEFHORHHYURTGH-UHFFFAOYSA-N	362.451	2.205	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H](N3CCCC3=O)CC2)cc1	1642764798	UKIWVMLLNIQCFH-OAHLLOKOSA-N	357.414	2.466	10	10	FECE	
Cc1cc(N2C[C@@H](C(=O)NCc3cc(O)ccc3O)CC2=O)ccc1F	1643881778	FEUXJEPTHGLNLN-ZDUSSCGKSA-N	358.369	2.215	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)CC1	2126933852	QOVIWBADTHBMMN-ZDUSSCGKSA-N	367.450	2.440	10	10	FECE	
CCc1noc(C)c1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	160747305	XRGOFRUBLPUQBA-UHFFFAOYSA-N	354.410	2.177	10	10	FECE	
CCOc1ccnc(N2CCN(Cc3cc(C)cc(OC)c3O)CC2)n1	164381838	ZAVZBGKTAGTRFT-UHFFFAOYSA-N	358.442	2.220	10	10	FECE	
CN(C)c1ccc(CNCC(=O)N2CCN(c3ccccc3F)CC2)cc1	1857865227	AYEOVHNBTWETHX-UHFFFAOYSA-N	370.472	2.330	10	10	FECE	
Cc1cccc(CNC(=O)C2(NC(=O)OC(C)(C)C)CCOCC2)c1O	2139741123	HXVQNHDMGZJYPD-UHFFFAOYSA-N	364.442	2.391	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2C[C@H](C1)C2NC(=O)OC(C)(C)C	2162966032	GHCXVLQRFYZGIL-CXLVCKKSSA-N	374.485	2.441	10	10	FECE	
O=S(=O)(CC1CN(c2ccc(CO)c(Br)c2)C1)C(F)F	2173173603	SINDIWGAEICLHC-UHFFFAOYSA-N	370.215	2.015	10	10	FECE	
COc1ccc(N2CC[C@H](OCCNC(=O)OC(C)(C)C)C2)c(N)c1	2049888309	NZIKJQAELIZXGK-AWEZNQCLSA-N	351.447	2.397	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NCc2c(O)cccc2F)[C@@H](CO)C1	2052718749	ZGROEBONTLNYKU-IUODEOHRSA-N	354.422	2.239	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CNC(=O)c1ccc(O)c(O)c1)C(F)(F)F	2054401021	LNLFJOVDJHRDOA-LLVKDONJSA-N	364.320	2.283	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@]1(C(=O)N2CCC(N=[N+]=[N-])CC2)CCCO1	2060634983	GJGIMQMDFWCKSC-MRXNPFEDSA-N	353.423	2.362	10	10	FECE	
CO[C@]1(C(=O)N2CC[C@H](N=[N+]=[N-])C2)CCCN(C(=O)OC(C)(C)C)C1	2060614104	YIKQALZYKSSPMQ-BLLLJJGKSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)N1CCC[C@@H](N=[N+]=[N-])C1	2060609286	UBFAXYCFDIFBRR-WBMJQRKESA-N	353.423	2.050	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CC[C@@H](O)c3ccccc32)=C[C@@H]1O	2188063100	FHXNJCFSXIILGK-OIISXLGYSA-N	374.437	2.041	10	10	FECE	
C[C@H](F)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1	2069832396	RUMZKZSPCUEFIX-HZMBPMFUSA-N	356.394	2.008	10	10	FECE	
CN1CCc2cc([C@H](N)CN3CC[C@@H](NC(=O)OC(C)(C)C)C3)ccc21	2113004705	AVYQNNMGAOGPEK-IAGOWNOFSA-N	360.502	2.278	10	10	FECE	
C[C@@H]1CC[C@@H](S(C)(=O)=O)CN1c1ccc(CN)c(Br)c1	2279344066	OQVMUZGMLJMECB-ZWNOBZJWSA-N	361.305	2.310	10	10	FECE	
Cc1cc(C=CC(=O)NCC(N)=O)c(C)n1-c1ccc(OC(F)F)cc1	2297507971	LETYAYFEYPVBMQ-UHFFFAOYSA-N	363.364	2.310	10	10	FECE	
COc1ccccc1CN1CCN(C(=O)C=Cc2ccc(O)c(O)c2)CC1	2307986962	QGQNNAXEGIUACI-UHFFFAOYSA-N	368.433	2.464	10	10	FECE	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(C(=O)O)cc1	2313557513	FLETWBTWPVSQOI-UHFFFAOYSA-N	354.293	2.190	10	10	FECE	
CN1CCCc2cc(CNC(=O)Cn3ncc(=O)c4ccccc43)ccc21	58769191	QEPAYWQEGPQBRM-UHFFFAOYSA-N	362.433	2.095	10	10	FECE	
Cc1cc(C(=O)N[C@@H](CC(N)=O)C2CCOCC2)c(C)n1-c1ccccc1	176904447	FJEUHUMUYCIFRS-IBGZPJMESA-N	369.465	2.495	10	10	FECE	
Cc1noc([C@@H]2COCCN2Cc2cc(Br)ccc2O)n1	188475694	LLWDSUOHXDFENN-LBPRGKRZSA-N	354.204	2.420	10	10	FECE	
CCC[C@@H](O)CNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92438696	TURQZYNRDJYFEG-HXUWFJFHSA-N	374.529	2.179	10	10	FECE	
C[C@@H]1C[C@@H](N(C)C(=O)/C=C\c2ccc(N3CCOCC3)cc2)CCN1C	255081295	LOZMJZCDJZSVCA-ZODOCNFASA-N	357.498	2.478	10	10	FECE	
CN(C)c1ccc(CNC(=O)NCc2ccnc(-n3ccnc3)c2)cc1F	371501595	GLEIVBWFVQEHPW-UHFFFAOYSA-N	368.416	2.472	10	10	FECE	
O=C1N[C@H](CF)C(=O)N1[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	287772556	RJKFUERILJZFCG-WCQYABFASA-N	357.332	2.147	10	10	FECE	
Cc1ccc(CN(C)C[C@H]2CCCS2(=O)=O)c(O)c1Br	2381136684	IEAMZTZWURMZGC-GFCCVEGCSA-N	362.289	2.472	10	10	FECE	
COC(=O)Cc1occc1C(=O)NCc1cc(Br)ccc1O	804734680	WCEKSGIGRDCPBJ-UHFFFAOYSA-N	368.183	2.393	10	10	FECE	
Cc1cc(C(=O)N[C@H](C)C2(S(C)(=O)=O)CC2)c(C)n1-c1ccccn1	804540895	IMSBMUQBCTZUFN-CQSZACIVSA-N	361.467	2.185	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC2(CCOCC2)[C@H]1C	807100996	PFGXDNQSUGCLAZ-MRXNPFEDSA-N	373.497	2.095	10	10	FECE	
C[C@@H](C(=O)NCc1cc(Br)ccc1O)N1CCSCC1	804738297	KTYGICZYYCMREQ-JTQLQIEISA-N	359.289	2.208	10	10	FECE	
C[C@H](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCO1	822687885	HKNVSAXCBAYECT-RDTXWAMCSA-N	350.434	2.484	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)NCc1nc2cccnc2[nH]1	588563454	SZTMGUHFYMXPDL-YVMONPNESA-N	363.421	2.124	10	10	FECE	
COC(=O)[C@@H]1CC[C@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1	839472518	QVSNCLKBGLEGMK-DLBZAZTESA-N	360.454	2.071	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@]12C[C@H]1COC2(C)C	849926070	AJEQRJJWKCGMKO-MGPUTAFESA-N	360.454	2.069	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)C2)cc1	849416347	PLEWLDYHXJSIFP-OAGGEKHMSA-N	367.515	2.086	10	10	FECE	
CNC(=O)[C@@H](CNCc1cc(F)ccc1O)Cc1ccc(OC)c(F)c1	843415000	QPZKEZDMFFHQCW-CQSZACIVSA-N	364.392	2.374	10	10	FECE	
Cc1nnc(CNC(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)o1	683468992	OSBQWMQDVKRQGC-UHFFFAOYSA-N	367.453	2.416	10	10	FECE	
C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@@](C)(C(F)F)O1	852780537	OALZXFYWLFBZOP-UGSOOPFHSA-N	355.429	2.113	10	10	FECE	
CCOc1ccc(-n2ncc(C(=O)N3Cc4cccc(O)c4C3)c2C)nn1	871198316	HEAQDSNZFYCDSR-UHFFFAOYSA-N	365.393	2.231	10	10	FECE	
COc1c(NC(=O)NCc2ccc3c(c2)CCCN3C)cccc1C(N)=O	782710719	HVZDLHZAHWPRBN-UHFFFAOYSA-N	368.437	2.498	10	10	FECE	
C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@H](C)[C@@H](C)O1	782559531	RMQSJYHSAAZNOH-RBSFLKMASA-N	365.449	2.370	10	10	FECE	
CC[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCCOC1	897865837	NJYKZEMXRDTQFR-KYJSFNMBSA-N	361.486	2.251	10	10	FECE	
CNC(=O)[C@]1(C)CCN(Cc2c(C(=O)OC)n(C)c3ccc(F)cc23)C1	894644093	KCRHEUPSYJVGTL-LJQANCHMSA-N	361.417	2.062	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC(N=[N+]=[N-])CC2)C[C@@H](O)C1(C)C	1879106221	DNLTVXAPAQFTIG-PXAZEXFGSA-N	367.450	2.342	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@@H]2CCC(=O)N2)n1[C@@H]1C[C@H]1CF	1314753242	NDNHDQOLEUYMFJ-MELADBBJSA-N	359.405	2.102	10	10	FECE	
CN1CCN([C@H](C(=O)NCc2c(O)cccc2F)c2ccccc2)CC1	1178412650	CQEAAENJIAHDHL-IBGZPJMESA-N	357.429	2.136	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1CN([C@@H]2CCOC2)C1	1338290511	WIYDXTZQAGRKQZ-HXUWFJFHSA-N	357.498	2.356	10	10	FECE	
COCCN(C(=O)OC(C)(C)C)[C@](C)(C(N)=O)c1ccc(N(C)C)cc1	698399110	JGQJLDRKFJRXSF-IBGZPJMESA-N	365.474	2.337	10	10	FECE	
CN1C[C@@H]2CC[C@@H](NC(=O)NCc3cccc(Br)c3O)[C@H]2C1	1263783279	ZOGSFPPEKGSDAI-SGMGOOAPSA-N	368.275	2.294	10	10	FECE	
CN(C)c1ccc(CNC(=O)c2cc(C(C)(C)C)n3ncnc3n2)cc1	1351266280	UGRZZTYRARWQJT-UHFFFAOYSA-N	352.442	2.418	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@H]4CCCCN34)CC2)cc1F	1445838644	BOKHMGCSPQOMDW-QAPCUYQASA-N	361.461	2.500	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCc2cccc(Cl)c2O)CO1	1471493140	SCDZLOXXCOEVHL-LLVKDONJSA-N	371.821	2.396	10	10	FECE	
CCN(C)c1nnc([C@H]2CCCO2)n1Cc1ccc(N2CCOCC2)cc1	1709923906	NRVKTTGRRBNRKY-GOSISDBHSA-N	371.485	2.471	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccoc1C1(O)CCOCC1	1624953928	CCEVBULUOILDPH-GFCCVEGCSA-N	361.394	2.050	10	10	FECE	
Cc1cc(C(=O)NCc2nc(O)cc(O)n2)c(C)n1-c1ccc(F)cc1	1557704397	XOQWLUYWOKAOBL-UHFFFAOYSA-N	356.357	2.364	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C(C)(C)C)n1C[C@@]1(O)CCOC1	1554174582	FWHOGDIGKRKJJH-IBGZPJMESA-N	360.458	2.069	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)/C=C/[C@H]3COC(C)(C)O3)C2)cc1	1630618693	DXULSXLKEBDAEJ-CLGUQGEQSA-N	360.454	2.345	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C	2124151541	BVRYGYUDFGCWIR-UMVBOHGHSA-N	364.442	2.282	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(CC2CC2)n1C[C@@H]1CC[C@H](CO)O1	1729420157	IOWJGVUZHLEYAZ-DLBZAZTESA-N	372.469	2.113	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCCN(CC(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C1	2124505736	PCEKGKDLSLNRRL-UONOGXRCSA-N	366.466	2.277	10	10	FECE	
CCOC(=O)[C@@H](F)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1	1570809497	WWZGNGIGMUSJCX-YPMHNXCESA-N	350.350	2.212	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)c1	1583356616	SKLQRYOEWOGSJF-GORDUTHDSA-N	370.340	2.091	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CC12CCOCC2	1597567198	HFOXCLYYIMEIIH-AWEZNQCLSA-N	367.829	2.364	10	10	FECE	
CN1C[C@@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CCC1=O	162851526	RXRSSYYDIZJSEG-KRWDZBQOSA-N	358.486	2.439	10	10	FECE	
Nc1ccc(-n2nnc(C(=O)Nc3ccccc3Br)n2)cc1	1857878996	RNWQPNMHKQSRQL-UHFFFAOYSA-N	359.187	2.259	10	10	FECE	
C[C@H](c1c(O)cccc1O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C1	2136335385	IQHIQBBPFXWCAB-ADLMAVQZSA-N	366.414	2.213	10	10	FECE	
C[C@@H](NCCN1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(O)cc1O	311309937	XWXKRCFVXVHPGN-CQSZACIVSA-N	365.474	2.301	10	10	FECE	
COCCN(CCNCc1cccc(OC)c1O)C(=O)OC(C)(C)C	378887657	OEXHYEAYZYCAOZ-UHFFFAOYSA-N	354.447	2.374	10	10	FECE	
CN(C[C@@H]1CCCS1(=O)=O)c1ccc(CN)c(Br)c1F	694093714	HOPAZPBGZJIYAV-JTQLQIEISA-N	365.268	2.060	10	10	FECE	
CCN(C[C@@H](C)NC(=O)OC(C)(C)C)S(=O)(=O)Cc1ccc(N)cc1	2044598764	VXOXLHPVTSPLRD-CYBMUJFWSA-N	371.503	2.334	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NCc2cccc(F)c2O)C1	2052715766	ICJWAGHIICHAAC-DZGCQCFKSA-N	354.422	2.239	10	10	FECE	
CO[C@@H](C)[C@@H](CC(=O)NCc1ccccc1O)NC(=O)OC(C)(C)C	2060048432	LTDVUOOUVHAQFC-GXTWGEPZSA-N	352.431	2.327	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060638007	QUWCLNFBSVJHCP-JHJVBQTASA-N	353.423	2.048	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H](C(=O)N2CC[C@H](N=[N+]=[N-])C2)O1	2073531661	WHYUQUDRQXGISD-RWMBFGLXSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@]1(C)C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2081170582	OONGMGJWFBHQQA-BLLLJJGKSA-N	353.423	2.314	10	10	FECE	
COc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(C)C3=O)c2C)cc1	2293201975	BPSWKRGMOOWQSO-UHFFFAOYSA-N	353.378	2.194	10	10	FECE	
Cc1ccc(N2NC(=O)C(=Cc3cc([N+](=O)[O-])ccc3O)C2=O)cc1C	2297319157	DVZWUMZLZBYLSE-UHFFFAOYSA-N	353.334	2.379	10	10	FECE	
COCCN(C(=O)C=Cc1cnn(C)c1C)c1ccc(OC)c(OC)c1	2304177902	JKPVRDKFFLPDIH-UHFFFAOYSA-N	359.426	2.439	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)C1(CNC(=O)OC(C)(C)C)CCOCC1	2315992615	ONHLBVDGIWNUAZ-UHFFFAOYSA-N	355.439	2.467	10	10	FECE	
CN(C)c1ccc(CNCc2cc(I)nn2C)cc1	2335789689	WRIKWOBYPOYOQX-UHFFFAOYSA-N	370.238	2.381	10	10	FECE	
C[C@@H]1CCCN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c2ccccc21	183158717	YMHRWLMUNBQZSH-PLSXKVAHSA-N	353.422	2.028	10	10	FECE	
Cc1cccc(CNCC(=O)N2CCN(Cc3ccccc3)CC2)c1O	182188702	AEERWPMPUGMNPD-UHFFFAOYSA-N	353.466	2.135	10	10	FECE	
Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1C(=O)/C=C/c1ccc(O)c(O)c1	185797890	RMZSRXAGPWTUQN-SXQCNTSWSA-N	370.380	2.258	10	10	FECE	
O=C1N[C@@H](C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CS1	361363526	GTEKTEFJNZNWRE-CYBMUJFWSA-N	371.409	2.198	10	10	FECE	
CN(C)c1ccc(CNC(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1	282673718	CNBRXVBYWKXLDI-SJLPKXTDSA-N	361.486	2.120	10	10	FECE	
CO[C@@H]1CCS(=O)(=O)N(Cc2ccc(C)c(Br)c2O)C1	2380772295	GXVBOVWXCDGMTJ-LLVKDONJSA-N	364.261	2.014	10	10	FECE	
CN1CCN(C(=O)Cc2cccc(NCc3cc(F)ccc3O)c2)CC1	817406816	YMROSKCQIBVFCM-UHFFFAOYSA-N	357.429	2.460	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)N[C@H](C)CCC3CC3)C2)cc1	829181437	FFWRIRNTMAWFOB-GDBMZVCRSA-N	359.470	2.085	10	10	FECE	
Cc1ccc(-n2c(C)cc(/C=C\C(=O)N3C[C@@H](O)C[C@H]3CO)c2C)cc1	588513200	OUPSBHRFQUAXLV-AWPWWVNJSA-N	354.450	2.370	10	10	FECE	
CC[C@@H](NCCS(=O)(=O)N=S(C)(C)=O)c1cccc(Cl)c1O	903225025	DKLZBJGABBQOHI-GFCCVEGCSA-N	368.908	2.144	10	10	FECE	
CN(C)c1ccc(/C=C\CNCCS(=O)(=O)NCC2CCC2)cc1	835037422	ODRAOGFYUBXLEW-DAXSKMNVSA-N	351.516	2.075	10	10	FECE	
COc1ccc(O)c(CNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c1	734016932	PCGNLNNNZMYXFG-UHFFFAOYSA-N	369.826	2.144	10	10	FECE	
CCN(C(=O)/C=C/c1cncc(C(=O)NC)c1)c1ccccc1C(=O)OC	736110906	AFBXMUVHRZVCGJ-MDZDMXLPSA-N	367.405	2.294	10	10	FECE	
CCOCCCN1CC[C@@H](NC(=O)NCc2c(O)cccc2F)[C@H](C)C1	919049851	FSXBLUFQOZBVPA-RHSMWYFYSA-N	367.465	2.468	10	10	FECE	
Cc1cc(C(=O)N[C@@H](C[C@H]2CCCO2)C(=O)O)c(C)n1-c1ccccn1	910590904	NVTOHPDYDFVFOK-ZBFHGGJFSA-N	357.410	2.241	10	10	FECE	
Cc1cc(O)c(CNC[C@H](N2CCNCC2)C(F)(F)F)c(Cl)c1	841070312	NEMPBUNMJJNBJT-AWEZNQCLSA-N	351.800	2.280	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)c3cccc(OC)c3)C2)cc1	849417404	QLWWDBYGOUXAPQ-AWEZNQCLSA-N	362.451	2.261	10	10	FECE	
O=C(NCCCSc1nccs1)N1CCc2ccnc(O)c2C1	755762106	KDZMZTMHNIXHFD-UHFFFAOYSA-N	350.469	2.494	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3nn(C)cc3Cl)C2)cc1	852368187	LJADKTNQNWNHTL-GFCCVEGCSA-N	363.849	2.160	10	10	FECE	
C[C@]12COC[C@@H]1CN(C(=O)NCc1ccc(N3CCSCC3)cc1)C2	851992078	YNJVYQYHSLFJRY-LPHOPBHVSA-N	361.511	2.418	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCS(=O)(=O)C[C@H](C)C2)c1	763674821	ZHFQCBRMQFXKKT-LLVKDONJSA-N	362.289	2.330	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H](c2ccc(O)cc2)C1	1118820022	GMESEKWSRYFJGU-OAHLLOKOSA-N	354.406	2.072	10	10	FECE	
COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1cc(Cl)cc(F)c1O	775741022	XLYDLHHHQRVCDX-MQYQWHSLSA-N	371.792	2.110	10	10	FECE	
O=C(NC1CCN([C@H]2CCOC2)CC1)c1cc2cc(O)c(O)cc2s1	896980222	VANAJFXBXNEILI-ZDUSSCGKSA-N	362.451	2.296	10	10	FECE	
NC(=O)CCN(Cc1ccccc1)C(=O)c1ccc(N=NC(N)=O)cc1	1136140915	LIKSMJLWEMOCDU-UHFFFAOYSA-N	353.382	2.367	10	10	FECE	
CS(=O)(=O)CCCCCNC(=O)c1cc2cc(O)c(O)cc2s1	1138465036	KQIGMJZIHPWTGP-UHFFFAOYSA-N	357.453	2.257	10	10	FECE	
CN(Cc1cc(Br)cc(F)c1O)[C@H]1CCN2CCO[C@H]1C2	894868547	BZBKLFWOFKGYGX-KBPBESRZSA-N	359.239	2.199	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@@H](COc2ccccc2)C1	791152365	IGZFHTBFUFLJLD-NBEHIINDSA-N	355.390	2.417	10	10	FECE	
Cc1cc(CNC(=O)NCc2cc(C(N)=O)no2)c(C)n1-c1ccccc1	1312351996	REWILYDSDXOXEK-UHFFFAOYSA-N	367.409	2.180	10	10	FECE	
C[C@@H]1Cc2cc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)ccc2O1	1179509511	DFDLKDWCGPQTHO-SNVBAGLBSA-N	362.407	2.339	10	10	FECE	
Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)NCc1c(O)cccc1O	1456315548	JXNGEFXZVSZBGZ-UHFFFAOYSA-N	362.386	2.108	10	10	FECE	
CC(C)(C)OC(=O)NCC[C@@H]1CN(CCOc2ccc(N)cc2)CCO1	2119413729	ZOKAVGKUPQMZET-QGZVFWFLSA-N	365.474	2.263	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cc([N+](=O)[O-])cc(C)n3)C2)cc1	1538745936	HQEGFVVHNQAFIJ-ZDUSSCGKSA-N	356.382	2.316	10	10	FECE	
CCN(CC)c1ccc(Cn2c(C)nnc2N2CC(=O)N(C)[C@H](C)C2)cc1	1710025137	POOBLPQBTRBNLZ-OAHLLOKOSA-N	370.501	2.148	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@H]1CCN(C(=O)OCc2ccccc2)C1	1633599195	RKOREAFYHPFNPY-HNNXBMFYSA-N	370.405	2.373	10	10	FECE	
COCCO[C@H]1CCN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)C1	1750058292	UOBSNJRSHVWRCA-IBGZPJMESA-N	373.501	2.251	10	10	FECE	
COc1ccc(N2CCC(NC(=O)NCC[C@@H](C)[S@](C)=O)CC2)cc1	165793875	UAHKITBKKDKBAO-DLUDVSRJSA-N	367.515	2.120	10	10	FECE	
CC[C@H](CO)N1C(=O)/C(=C\c2ccc3c(c2)OCCO3)SC1=S	1858590221	CNYSDOJZNZVCAD-GYBQTFJISA-N	351.449	2.430	10	10	FECE	
CCOC(=O)CCCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C	1866186892	VRSGTXQIFDDMGG-LJQANCHMSA-N	372.469	2.425	10	10	FECE	
C[C@@H](CCC(=O)NCCc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	277359477	BHMHVDQXEXKHSO-LBPRGKRZSA-N	352.431	2.450	10	10	FECE	
COC(=O)[C@]1(NCCCN=[N+]=[N-])CN(Cc2ccccc2)[C@@]2(CCOC2)C1	2156296504	PAUMYPQGXNKSTP-RBUKOAKNSA-N	373.457	2.253	10	10	FECE	
CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNCc2cccc(F)c2O)C1	2036980140	SMQDRWAFYMUNNH-AWEZNQCLSA-N	353.438	2.172	10	10	FECE	
CNCc1ccc(N2CCC[C@H](S(C)(=O)=O)C2)c(Br)c1	380469108	QQYWNOKQOHYYME-LBPRGKRZSA-N	361.305	2.182	10	10	FECE	
CN1CCc2cc(CNCc3c[nH][nH]c3=NC(=O)OC(C)(C)C)ccc21	387973178	ZDPMCQHGOPIFPN-UHFFFAOYSA-N	357.458	2.461	10	10	FECE	
C[C@H]1CN(C[C@H](O)COc2ccc(N)cc2)CCN1Cc1ccccc1	396483178	MVYXTLATAKSNSR-PXNSSMCTSA-N	355.482	2.215	10	10	FECE	
CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H](C(=O)C(=O)C[C@H]3C[C@H](N)C3)[C@H]21	2049784450	LUFCXLWSUAYMDX-UVQHHTHUSA-N	350.459	2.288	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2060637148	HMPTVYGNNPPHON-NEPJUHHUSA-N	353.423	2.123	10	10	FECE	
CSc1ncc(CN[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2O)s1	2243788625	UYHDBBBDHMAIHD-WCQGTBRESA-N	359.517	2.371	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2OCC[C@]2(C(=O)N2CCC(N=[N+]=[N-])CC2)C1	2278888303	SUXRYWQLSOVRJY-DYVFJYSZSA-N	365.434	2.314	10	10	FECE	
CSCC[C@H](C(=O)O)N1C(=O)C(=Cc2cccnc2)SC1=S	2296114106	MKMMEPPSXJNVIE-SNVBAGLBSA-N	354.478	2.489	10	10	FECE	
COC(=O)c1ccc(C=C2SC(=S)N([C@@H](C)C(=O)OC)C2=O)cc1	2297465451	GYDLRHKPTZOFAR-VIFPVBQESA-N	365.432	2.236	10	10	FECE	
CN1CCC(CNC(=O)C=Cc2ccc(O)c(O)c2)(N2CCCCC2)CC1	2308001800	QSEQYMRXLQDXNW-UHFFFAOYSA-N	373.497	2.178	10	10	FECE	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc([N+](=O)[O-])cc1	2313557382	BORNQCXYDUQAFC-UHFFFAOYSA-N	355.281	2.400	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1CN(C(=O)c1ccc(O)c(O)c1)C2	2333677359	XFWVFFJLKFLNEC-MRVWCRGKSA-N	362.426	2.473	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)CCCO3)cc1	171263377	HZARMRLJWPMLKA-UHFFFAOYSA-N	353.422	2.333	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)c1	67594089	DPGLXFKFMWJZBR-HIFRSBDPSA-N	364.398	2.189	10	10	FECE	
CN(C)c1ccc(CN(C)c2ccc(C(=O)NC3CCOCC3)nn2)cc1	301738078	SESMPGCQJWJAKJ-UHFFFAOYSA-N	369.469	2.088	10	10	FECE	
Cc1ccc(O)c(CN2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)c1	65420570	XOLDPSZNTLJNFI-UHFFFAOYSA-N	364.453	2.307	10	10	FECE	
COC(=O)Cn1cc(CCN(C)Cc2ccc(N3CCCCC3)cc2)nn1	126953876	RLHRIBFCDHYHJC-UHFFFAOYSA-N	371.485	2.116	10	10	FECE	
CC(C)C[C@@H](CO)N(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	188443177	SGBJEIHASDWOLI-INIZCTEOSA-N	367.465	2.211	10	10	FECE	
COc1cc(N(C)CC2CCN(C[C@@H](C)O)CC2)c([N+](=O)[O-])cc1OC	121557019	YVVXMPSOURBHLQ-CYBMUJFWSA-N	367.446	2.141	10	10	FECE	
COc1ccc(N2CCN(C(=O)CNCc3ccccc3OC)CC2)cc1	243135383	JKPPOYVJSURUNJ-UHFFFAOYSA-N	369.465	2.142	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCO[C@H](c4cccc(O)c4)C3)cc2N1	362449738	CYVMKVFLEHHDBD-KRWDZBQOSA-N	371.349	2.209	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1	283992199	JPHDHOSODPNFSS-APWZRJJASA-N	374.529	2.090	10	10	FECE	
O[C@H]1[C@H](CNCc2ccc(N3CCOCC3)cc2)CCC12CCOCC2	374685515	DVBBPOQPVPAZKL-ICSRJNTNSA-N	360.498	2.181	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C	806820759	NXUGIMCPTKDDOQ-DOTOQJQBSA-N	351.491	2.018	10	10	FECE	
CN1CCc2cc([C@@H](O)[C@@H](NC(=O)OC(C)(C)C)c3cn(C)nn3)ccc21	2166706332	ACBUWNBQFCZBDV-DLBZAZTESA-N	373.457	2.107	10	10	FECE	
CC[C@H]1C[C@H](NC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)CCO1	817878031	MKEFMXTYIUSTRM-AEFFLSMTSA-N	361.486	2.175	10	10	FECE	
C[C@H](Cc1ccco1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	822936358	AIHLMBURZSGYTA-WBVHZDCISA-N	369.465	2.476	10	10	FECE	
CN(C)c1ccc(CNC(=O)NCC2(O)Cc3ccccc3C2)cc1F	738991675	SFAUBKVSTUNKLK-UHFFFAOYSA-N	357.429	2.221	10	10	FECE	
C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCCc2cc(CN)ccc21	844219991	PYXDLWFQYNJZNG-CQSZACIVSA-N	353.470	2.126	10	10	FECE	
COc1cc(Br)cc([C@H](C)NC[C@]2(O)CCO[C@@H]2C)c1O	848549760	SWIBFYGLFVQREY-FEUHOPSXSA-N	360.248	2.354	10	10	FECE	
CN(C)c1ccc([C@@H](N)CNCc2ccc3c(c2)sc(=O)n3C)cc1	841042789	ONEXMVMTXWOTAE-INIZCTEOSA-N	356.495	2.456	10	10	FECE	
C[C@H](NC(=O)[C@@H]1OCC[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O	827956229	INKJMJHIJOXECU-CORIIIEPSA-N	350.415	2.252	10	10	FECE	
COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCc3c(O)cccc3F)C2)c1	928708294	JSFAOEWJAYICFZ-GOSISDBHSA-N	374.368	2.358	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3ccnn3C3CCOCC3)C2)cc1	855224800	HEPIXIKRAQSKBT-OAHLLOKOSA-N	370.453	2.252	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)C(=O)OC(C)C)C2)cc1	852456622	ZQSNOKUUXNIONF-GJZGRUSLSA-N	363.458	2.161	10	10	FECE	
CC(=O)N1CSC[C@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn12	751307258	IFJTWOSUFQPHHX-AWEZNQCLSA-N	367.434	2.256	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3cnccc3OC)C2)cc1	852353684	DLOBOYDPQUXODK-OAHLLOKOSA-N	356.426	2.177	10	10	FECE	
COC(=O)/C=C/c1ccc(N(C)CC(=O)NCc2ccco2)c([N+](=O)[O-])c1	931328168	IXGQFYZLLKOZNV-SOFGYWHQSA-N	373.365	2.127	10	10	FECE	
C[C@@](CO)(NCc1ccc(N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1	865705514	UOFZZWZUQOPDRQ-FQEVSTJZSA-N	371.437	2.429	10	10	FECE	
COCc1n[nH]c(CNC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)n1	862176637	GSKNYTMCNMTZFL-UHFFFAOYSA-N	367.409	2.101	10	10	FECE	
COC(=O)C1(c2ccc(S(=O)(=O)N3Cc4cccc(O)c4C3)cc2)CC1	867691420	WBQCEZHKKFAUOE-UHFFFAOYSA-N	373.430	2.301	10	10	FECE	
CC(C)(C)OC(=O)N(CCNC(=O)Cc1ccc(O)c(O)c1)C1CC1	1136593615	IQYYUKBCEJEOTC-UHFFFAOYSA-N	350.415	2.156	10	10	FECE	
COc1ccc(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccc(F)c2)c(O)c1	1139032517	MDDKQFXRVBWWAB-QFBILLFUSA-N	372.396	2.376	10	10	FECE	
CN(C)c1ccc(CN2CCC[C@@H]2CS(N)(=O)=O)c(C(F)(F)F)c1	792823186	QLMNNHADIZBWAU-CYBMUJFWSA-N	365.421	2.024	10	10	FECE	
CCc1onc(C)c1CNCCN1CCN(c2ccc(OC)cc2)CC1	892702933	DWGKHWSGNVRRFX-UHFFFAOYSA-N	358.486	2.466	10	10	FECE	
CCN1C[C@@H](NC(=O)Cn2c3c(c4cc(OC)ccc42)CCCC3)CC1=O	1141272107	VBZWJEHLEXBAEA-AWEZNQCLSA-N	369.465	2.266	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C(=O)NCc2ccccc2O)C1	1964888511	FSWDTQWXACWLER-DZGCQCFKSA-N	350.415	2.081	10	10	FECE	
Cc1cc(CN2C[C@@]3(C)C(=O)NC(=O)[C@@]3(C)C2)ccc1N1CCCCC1	1196833366	RLKJFPHXAYAJSF-OYRHEFFESA-N	355.482	2.470	10	10	FECE	
COc1ccc(CN[C@@H](CC(=O)O)C2CCOCC2)cc1Cn1cccn1	1348807257	LLNBXRCEYBJLPI-SFHVURJKSA-N	373.453	2.300	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H]2C[C@H](C1)N2C(=O)OC(C)(C)C	2117039918	MVJHIUSBDATTSB-VBNZEHGJSA-N	360.458	2.289	10	10	FECE	
COc1ccc(CNC(=O)N[C@H](c2nccn2C)C(F)(F)F)c(O)c1	1528427201	WNAQKADENCZGDL-GFCCVEGCSA-N	358.320	2.237	10	10	FECE	
COc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)ncn1	1534309533	USZDDQFZOKUANV-CHWSQXEVSA-N	374.416	2.168	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)[C@H](O)CCc2ccccc2)N(C)C)cc1	1472280548	GFCQLQQLHINHHN-LEWJYISDSA-N	369.509	2.465	10	10	FECE	
Cn1c(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])cnc1CNC(=O)OC(C)(C)C	2124539485	WERJUSJUZYDMQT-LLVKDONJSA-N	363.422	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2124503762	OZMNGGBOIVVLOM-CXAGYDPISA-N	367.450	2.440	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H](C(=O)N1CC[C@@H](N=[N+]=[N-])C1)C1CCOCC1	2124504780	CZBOIZGOBGTNDR-ZIAGYGMSSA-N	367.450	2.465	10	10	FECE	
O=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCc1cc(O)ccc1O	1644756932	MPXRPPYDDXGVJC-UHFFFAOYSA-N	355.316	2.118	10	10	FECE	
C[C@H](N[C@@H]1COC[C@@H]1CNC(=O)OC(C)(C)C)c1cc(O)ccc1O	2036598042	CHASDIXYYHTPGI-SLEUVZQESA-N	352.431	2.288	10	10	FECE	
CNCc1ccc(N(C)[C@H](C)CCS(C)(=O)=O)c(Br)c1	2160755099	GLJGVXQDKLAAEQ-LLVKDONJSA-N	363.321	2.428	10	10	FECE	
Nc1ccc(CC(=O)NCC[C@@H]2CN(Cc3ccccc3)CCO2)cc1	382497376	MFPMAVBYXQRGNN-HXUWFJFHSA-N	353.466	2.219	10	10	FECE	
C[C@H](N[C@@H]1[C@H](NC(=O)OC(C)(C)C)[C@@H]2CCO[C@H]21)c1c(O)cccc1O	387779950	ZXIQIZNNRHWMGP-CGYBQPRDSA-N	364.442	2.429	10	10	FECE	
CCN(c1ccc(CNC)c(Br)c1)[C@@H](C)CS(C)(=O)=O	2170419879	JFFQNQJUNMJCMN-NSHDSACASA-N	363.321	2.428	10	10	FECE	
CO[C@]1(C(=O)NCC2(CN=[N+]=[N-])CC2)CCN(C(=O)OC(C)(C)C)C1	2060616913	HGHGVZROCDIMSO-MRXNPFEDSA-N	353.423	2.219	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)CCOc2ccc(N)cc2)C1	2106235816	SRUSDLOWDMDTFL-OTVXOJSOSA-N	363.458	2.457	10	10	FECE	
CN(Cc1ccccc1)[C@]1(CNC(=O)c2cccc(O)c2O)CCOC1	2098893059	JNVGKNOXNUVSSR-FQEVSTJZSA-N	356.422	2.119	10	10	FECE	
COc1cc(C=C2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(O)c1O	2297476109	BWMXNPHWGKCZDZ-UHFFFAOYSA-N	369.329	2.182	10	10	FECE	
COc1cc(C=C2SC(=S)N(C(C)(C)C(=O)O)C2=O)ccc1O	2323872674	KOVCMXRDRDYSBF-UHFFFAOYSA-N	353.421	2.465	10	10	FECE	
Nc1ccc(C(=O)NC(=O)C(=O)N(c2ccccc2)c2ccc(N)cc2)cc1	170388871	HDDRAELSEZZPLF-UHFFFAOYSA-N	374.400	2.472	10	10	FECE	
Cc1cc(C(=O)CNCCN2CCOCC2)c(C)n1-c1ccc(F)cc1	62657950	PIXUSUGBLIOGDN-UHFFFAOYSA-N	359.445	2.338	10	10	FECE	
C[C@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccncc1	181599559	NQSVOTPXKLZDDE-HNNXBMFYSA-N	372.444	2.024	10	10	FECE	
COCCN1CCCN(C(=O)c2cc(C)n(-c3ccccc3)c2C)CC1=O	189052818	AXMGTUMYGHSHMS-UHFFFAOYSA-N	369.465	2.415	10	10	FECE	
Cc1nc(N2CCN(Cc3cc(C)c(C)cc3O)CC2)c2cnn(C)c2n1	93273274	WEUVQMSJZZPNMI-UHFFFAOYSA-N	366.469	2.316	10	10	FECE	
Cc1ccc(C(=O)C=c2[nH]c(=O)c(=Cc3ccc(N(C)C)cc3)s2)cc1	254309126	PTPIDVRZVKAMBU-UHFFFAOYSA-N	364.470	2.303	10	10	FECE	
CNC(=O)Cc1noc(Cn2c3c(c4ccccc42)CN(C(C)C)CC3)n1	558377486	GKJNAIKDVVHWDO-UHFFFAOYSA-N	367.453	2.128	10	10	FECE	
COC1CCC(CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC1	806946803	QVUCHDKZBVOVCM-UHFFFAOYSA-N	371.481	2.000	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)c1cc(=NC(=O)OC(C)(C)C)[nH]n1C	2163125100	AHDOUDHCWSRWGX-GOSISDBHSA-N	371.485	2.490	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)N[C@H]3CCC[C@@H]3C)CC2)cc1	729605533	CHGBZPWRFPWIDJ-LPHOPBHVSA-N	360.502	2.305	10	10	FECE	
COc1cc(Br)cc(CN2C[C@H](C)N(CCO)C[C@H]2C)c1O	841892035	SAFFZOWGEXJDAH-NWDGAFQWSA-N	373.291	2.050	10	10	FECE	
CSc1ccc(N2C[C@H](C(=O)NCc3ccc(O)cc3O)CC2=O)cc1	910952527	WUVNODWDTPYWJY-CYBMUJFWSA-N	372.446	2.489	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)CONC(=N)c2cn(C)nn2)c1C	842653211	DHKVDAOKPCJWLR-UHFFFAOYSA-N	366.425	2.261	10	10	FECE	
Cc1cc(C(=O)CN2CC[C@H](N)[C@@H]2C)c(C)n1-c1ccc2c(c1)OCO2	842475230	LQXLJNPVEXPXSD-YOEHRIQHSA-N	355.438	2.427	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)N3C[C@H]4CC[C@@H](C4)C3)CC2)cc1	852023653	NXKDFKYDMANZDI-ROUUACIJSA-N	372.513	2.259	10	10	FECE	
COC(=O)[C@@H](CNC(=O)N1Cc2cccc(O)c2C1)Cc1ccccc1	924963274	IBWSTBFHHKMICN-MRXNPFEDSA-N	354.406	2.449	10	10	FECE	
Cc1cc(CC(=O)NS(=O)(=O)CC(F)F)c(C)n1-c1ccccc1	853133405	KYIUTPUREIVERA-UHFFFAOYSA-N	356.394	2.348	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@H]1C[C@]12CCOC2	763550660	PHQMHBUICBDUSY-IRLDBZIGSA-N	369.509	2.261	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)/C=C\COC3CCOCC3)C2)cc1	868957051	WAPLPIZFLATSOW-BAHPRDJBSA-N	374.481	2.390	10	10	FECE	
CCC[C@H](O)CC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	769165090	OYKPYCBNNRVQOA-FQEVSTJZSA-N	359.514	2.386	10	10	FECE	
C[C@H](NC(=O)c1ccco1)C(=O)NCc1cccc(Br)c1O	765753095	NJLTVGRZXZSVBG-VIFPVBQESA-N	367.199	2.182	10	10	FECE	
O=C(c1cc(O)cs1)N1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)C(F)(F)F)[C@H]2C1	863591827	KNPVEJBQJQFHSD-IELRGYKMSA-N	374.384	2.325	10	10	FECE	
C/C=C/C[C@H]1NC(=O)N(Cc2ccc(N3CCC(O)CC3)c(F)c2)C1=O	761096707	DXRGBTDGBKGZSA-WOMSROEHSA-N	361.417	2.173	10	10	FECE	
Cc1cc(Br)cc(CN2CCN3C(=O)OCC[C@@H]3C2)c1O	775744000	ISLLELLDNVEWTI-CYBMUJFWSA-N	355.232	2.490	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCCCC(N)=O)C1	774123202	OFZSOGKIXOUSPS-UHFFFAOYSA-N	357.454	2.217	10	10	FECE	
COc1ccc(N2CCN(CCNC3C[C@@H]4CC[C@H](C3)N4C)CC2)cc1	774139846	AEALKJITCUYUOW-CTXDPNEZSA-N	358.530	2.032	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)Nc3ccnnc3C)cc2F)CC1	776494834	GDLDXZPAWCZKGN-UHFFFAOYSA-N	372.448	2.388	10	10	FECE	
COc1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n(C)n1	881252613	AHIQILSDWQCQPQ-AWEZNQCLSA-N	360.414	2.347	10	10	FECE	
COc1ccc(CCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cn1	893608230	SXQOFPFHRAMJPW-UHFFFAOYSA-N	368.481	2.091	10	10	FECE	
CS(=O)(=O)[C@@H]1CN(Cc2cc(F)cc(F)c2O)C[C@H]1C(F)(F)F	895235862	NEBRDEBMBDMGSI-MWLCHTKSSA-N	359.316	2.078	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@]23COC[C@@H]2C3)C1	894181650	YFOYOUIXCMPCKH-BTYIYWSLSA-N	353.466	2.313	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc(C)n4nc(C)cc4n3)CC2)cc1	1084485923	LJWLEOOJTBXFPA-UHFFFAOYSA-N	365.437	2.317	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H]2CCC[C@H]21)c1ccc(N2CCOCC2)cc1	1332656452	LCIOHHFVTYXKNB-RGIVZKHGSA-N	371.481	2.005	10	10	FECE	
Cc1cc(CNC(=O)N2C[C@@H](CO)[C@H](CCO)C2)c(C)n1-c1ccccc1	1519515877	WXRXTFQZQRIQLX-MJGOQNOKSA-N	371.481	2.226	10	10	FECE	
Cc1ccc(C(=O)N[C@H](C(=O)NCc2c(O)cccc2O)C(C)C)cc1	1456238595	ZZNGEFYEWHQUDZ-SFHVURJKSA-N	356.422	2.477	10	10	FECE	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2[nH]nnc2C(N)=O)c1	1459873571	WATWZXYEBKHAEB-UHFFFAOYSA-N	358.789	2.217	10	10	FECE	
Cc1cc(C(=O)N2CCC(c3nnc(N)o3)CC2)c(C)n1-c1ccccn1	1452750369	YQPLXAYZQCBCQE-UHFFFAOYSA-N	366.425	2.474	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)Cc3cccc(OC)n3)C2)cc1	1469281016	VBKIFADBNBAEOR-OAHLLOKOSA-N	355.438	2.284	10	10	FECE	
CCC/C=C/[C@@H](O)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	1543070765	RHKITZCHETVMGL-OVKVCFKUSA-N	363.477	2.301	10	10	FECE	
CCc1nc(C)ncc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	1540458220	DNUNOPGKJNBTLV-UHFFFAOYSA-N	354.454	2.456	10	10	FECE	
Cc1cc(C(=O)Cn2nc3ccccn3c2=O)c(C)n1-c1ccc(F)cn1	1613475244	KMEQENFIWCZYEP-UHFFFAOYSA-N	365.368	2.321	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1ccc2c(Br)cnn2c1	1626848055	IUUQNJUKFNOPBS-UHFFFAOYSA-N	362.183	2.438	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)c1ccc(NCCn2ccnc2)cc1	1631510316	MXCCMMMBQAPELZ-UHFFFAOYSA-N	366.421	2.379	10	10	FECE	
COC(=O)c1c(CC(=O)N[C@@H](C)c2ccccc2O)[nH]c(C(C)=O)c1C	1635799229	UYCBBJITIRCUJQ-NSHDSACASA-N	358.394	2.438	10	10	FECE	
C[C@@H]1CC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CS1(=O)=O	1639978140	URGJJICGJXDAEA-SCZZXKLOSA-N	355.437	2.008	10	10	FECE	
C[C@H](NC[C@@H](C)CN1CCOCC1)c1ccc(N2CCC(O)CC2)cc1	153115265	OBAVMEADLHCBTE-MSOLQXFVSA-N	361.530	2.267	10	10	FECE	
COC(=O)CN1C(=O)/C(=C\c2cc(OC)ccc2OC)SC1=S	1766338	RDWUOKHXLKJEDM-KPKJPENVSA-N	353.421	2.078	10	10	FECE	
C[C@@H](NCc1c(I)cnn1C)c1ccc(O)cc1O	2133347121	SGWVWEBKNVYDMI-MRVPVSSYSA-N	373.194	2.287	10	10	FECE	
COC(=O)[C@@H](CCN[C@@H](C)c1ccccc1O)NC(=O)OC(C)(C)C	2028194957	HBQIHHKTXYAHHY-GXTWGEPZSA-N	352.431	2.499	10	10	FECE	
O=S1(=O)CC[C@]2(CCCN2Cc2ccc(Br)cc2O)C1	2158462476	NWRHJDWMRFUBTG-CQSZACIVSA-N	360.273	2.308	10	10	FECE	
COc1cccc(CN[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@H]3CCO[C@H]32)c1O	387936257	AXIGEQAISWHYOE-DNNBLBMLSA-N	364.442	2.171	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)NCc2ccccc2O)O1	857795550	SZVAIKQEZKFUBQ-DZGCQCFKSA-N	350.415	2.081	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCCN(S(=O)(=O)Cc2ccc(N)cc2)C1	2044644354	OBPRZMCJEWXCTJ-OAHLLOKOSA-N	369.487	2.088	10	10	FECE	
COc1ccc(N2CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(N)c1	2044725223	JOVHNWTYXMICMU-BLLLJJGKSA-N	351.447	2.396	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H](CC(=O)N2CC[C@@H](N=[N+]=[N-])C2)C1	2080209868	DWPIAJCALPSPEU-CHWSQXEVSA-N	353.423	2.171	10	10	FECE	
C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)COc1ccc(N)cc1	2106261966	NDVYJESKMROBCP-CYBMUJFWSA-N	363.458	2.409	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](F)CN1C(=O)COc1ccc(N)cc1	2106721580	MVCYKLKXQNISRJ-OCCSQVGLSA-N	367.421	2.111	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-]	2225794496	GIEFWKPNRAWPGE-XQQFMLRXSA-N	363.422	2.193	10	10	FECE	
CC(C)(C)OC(=O)N1CC(F)(F)[C@@](C)(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1	2263719842	GVVQDYVKPVZWCH-GLKRBJQHSA-N	360.401	2.144	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H]2CC[C@H](O)CN2C(=O)OC(C)(C)C)c1O	2264612671	RJKGKYGRYJMRNO-GJZGRUSLSA-N	364.442	2.077	10	10	FECE	
Cc1cc(C=C2C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1	2294106396	GTJODDGEZASBKB-UHFFFAOYSA-N	368.349	2.094	10	10	FECE	
COC(=O)[C@H](NC(=O)C=Cc1cc(C)n(-c2ccc(C)cc2)c1C)[C@H](C)O	2309453793	AVPVDIWJFVDDFY-OXJNMPFZSA-N	370.449	2.454	10	10	FECE	
COc1ccc(CNc2c(I)cnn2C)c(O)c1	2328398496	XZUWLXZZKIQTHW-UHFFFAOYSA-N	359.167	2.351	10	10	FECE	
CCOc1ccc([C@H]2CC(=O)NC(NC(=O)c3ccccc3)=N2)cc1OC	20925036	MMRQBQNZLHKPKR-OAHLLOKOSA-N	367.405	2.441	10	10	FECE	
Cc1ccnc(N2CCC(C(=O)NCc3ccc(N(C)C)cc3)CC2)n1	65001793	ONLOGOLVCDQZDC-UHFFFAOYSA-N	353.470	2.384	10	10	FECE	
COc1cccc(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1	129225121	VTJCJBJZYABSMX-UHFFFAOYSA-N	374.416	2.065	10	10	FECE	
c1cc(N2CCOCC2)ccc1CNc1ccc(N2CCOCC2)cn1	121791585	MFVDXDPFJYCWCJ-UHFFFAOYSA-N	354.454	2.367	10	10	FECE	
CN(C)c1ncc(NC(=O)/C=C\c2ccc(N3CCOCC3)cc2)cn1	255366160	JUEUUALJKMZBES-YVMONPNESA-N	353.426	2.031	10	10	FECE	
CN1CCCc2cc(CNC(=O)[C@]3(N)[C@H]4CCCO[C@H]4C3(C)C)ccc21	364200780	LAKWHVGKKVKTBH-YRISNDGFSA-N	357.498	2.218	10	10	FECE	
C[C@@H](OC[C@H]1CCCO1)C(=O)NCc1cc(Br)ccc1O	804733496	QUDZGRXHZSFADU-ZWNOBZJWSA-N	358.232	2.355	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CN3CSCCSC3)C2)cc1	912292058	IBWOAGARKKPYER-AWEZNQCLSA-N	367.540	2.087	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@@](O)(C(F)F)C1	840484032	MGGMDWDUTHVQSD-ACJLOTCBSA-N	355.429	2.404	10	10	FECE	
Cc1cc(CNC(=O)N2C[C@H]3COC[C@@H](C2)O3)c(C)n1-c1ccccc1	858905842	DRZUOKMMAORCQA-KDURUIRLSA-N	355.438	2.403	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCC3(N(C)C)CCCC3)C2)cc1	852179832	BOAVODKMHHWKRR-INIZCTEOSA-N	360.502	2.448	10	10	FECE	
CS(=O)(=O)CC1(CCNCc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	850343769	WPKKRZLWPJGGDC-UHFFFAOYSA-N	362.835	2.258	10	10	FECE	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](CO)[C@@H]2CCC[C@@H](OC)C2)c1	850502898	SQDVTGYHOSYVJL-TZDHZFECSA-N	351.443	2.396	10	10	FECE	
CC(C)[C@@H]1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	755998530	YJRKZJNUIFTHDR-QGZVFWFLSA-N	363.477	2.256	10	10	FECE	
Cc1ccc(C)n1-c1ccsc1C(=O)NCc1cc(=O)c(O)cn1C	752055039	OECPSOBFTDHAQK-UHFFFAOYSA-N	357.435	2.490	10	10	FECE	
Cc1cncn1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	858928836	WZDGBEUAXGDPLF-LJQANCHMSA-N	356.470	2.465	10	10	FECE	
Cc1ccc(C(=O)NCCOCCN(C)C(=O)OC(C)(C)C)c(O)c1O	862854496	BIKVKJBONXVCHF-UHFFFAOYSA-N	368.430	2.020	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H]4C(=O)OC[C@H]4C3)ccc21	863762092	ZWCRYFYYNSGUSX-NVXWUHKLSA-N	356.422	2.150	10	10	FECE	
COc1ccc(N2CCC(NC(=O)[C@@H]3CCCN(C4CC4)C3=O)CC2)cc1	931578493	WQAYUSIFVSUXRU-IBGZPJMESA-N	371.481	2.181	10	10	FECE	
O=C(NCc1ccc(O)c(O)c1)c1cccc(NC(=O)[C@H]2CCCO2)c1	768917551	NDAWAZFMGVJWLB-QGZVFWFLSA-N	356.378	2.145	10	10	FECE	
COCc1nnc(N2CCN(c3ccc(OC)cc3OC)CC2)s1	866138024	DHKVGTVVROSKDY-UHFFFAOYSA-N	350.444	2.028	10	10	FECE	
CN(C)CCOC1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1	896334378	MLRRKIGJYIUXEQ-UHFFFAOYSA-N	364.467	2.495	10	10	FECE	
C[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@@H](C)S(C)(=O)=O	1135800315	COQYODRHEJYRRZ-HUUCEWRRSA-N	352.500	2.314	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1	1141232443	XBZOGRCNJQQORH-UHFFFAOYSA-N	357.414	2.324	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@H]2COC[C@@]2(C)C1	1333414126	NLWKJEZUKSRVPO-OXJNMPFZSA-N	360.454	2.016	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCc1nccn1CCc1ccccc1	1465755348	HJDCAQPRAGJUBD-UHFFFAOYSA-N	351.406	2.396	10	10	FECE	
Cc1cc(C(=O)N2CC[C@@](O)(CN(C)C)C2)c(C)n1-c1ccc(F)cc1	1471372718	UMOYEUJZSDWJQD-HXUWFJFHSA-N	359.445	2.372	10	10	FECE	
COc1cccc(CNC(=O)Cc2c(C)nn(-c3ccccn3)c2C)c1O	1545683984	GRGHKTQJVSBJRQ-UHFFFAOYSA-N	366.421	2.457	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1CC[S@@](=O)C(C)(C)C	1707861760	URLXDSJEAVQFDV-XMMPIXPASA-N	350.488	2.476	10	10	FECE	
Cc1cccc2nc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)cn12	1625141105	LAVZCNLICABDNC-UHFFFAOYSA-N	363.465	2.325	10	10	FECE	
CC(C)CNC(=O)C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1	1639743896	VSFYKGKJYZKMSQ-UHFFFAOYSA-N	359.430	2.473	10	10	FECE	
CN(C)S(=O)(=O)c1cccc(C(=O)NCc2cc(Cl)ccc2O)c1	1632223689	MVDVIVOEIMPDPF-UHFFFAOYSA-N	368.842	2.226	10	10	FECE	
COc1nc(C)ccc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1	1583475515	IZLOCTQSXRSXSO-UHFFFAOYSA-N	354.454	2.080	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)C2(C(=O)O)CC2)N2CCCCC2)cc1	1866033349	MATABJGAPKLZRR-KRWDZBQOSA-N	359.470	2.261	10	10	FECE	
Cc1cccc(CNC(=O)[C@@]2(CNC(=O)OC(C)(C)C)CCCO2)c1O	2139742277	BOHFOJHYAKQOGV-IBGZPJMESA-N	364.442	2.391	10	10	FECE	
C[C@H](NCc1c(O)cccc1Br)[C@H]1CCCS(=O)(=O)C1	2146121879	VQTSTQSSHUGDKC-QWRGUYRKSA-N	362.289	2.458	10	10	FECE	
Nc1ccc(OCC(=O)N[C@@H]2CC[C@@H]2NC(=O)OCc2ccccc2)cc1	1999146387	KFZVPMYTXJNCML-MSOLQXFVSA-N	369.421	2.221	10	10	FECE	
Nc1ccc(CC(=O)N[C@H]2CN(Cc3ccccc3)[C@@]3(CCOC3)C2)cc1	2154517017	KCEDIZZSJBUBMX-IRLDBZIGSA-N	365.477	2.361	10	10	FECE	
COC(=O)[C@H](CCNCc1cc(C)ccc1O)NC(=O)OC(C)(C)C	2028194647	DBQSGBNUKUXXAZ-AWEZNQCLSA-N	352.431	2.247	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1NC(=O)c1ccn(-c2ccc(N)cc2)n1	2185072071	RSTXVEYZFYKLQP-LSDHHAIUSA-N	371.441	2.240	10	10	FECE	
C[C@H](CCNC(=O)OC(C)(C)C)N(C)CC(=O)Nc1ccc(N)cc1	2044676320	FTEWRDKUYNCPCG-CYBMUJFWSA-N	350.463	2.442	10	10	FECE	
COc1ccc(N2CCC[C@@](O)(CNC(=O)OC(C)(C)C)C2)c(N)c1	2044737088	YQGIUUOWULZDEU-GOSISDBHSA-N	351.447	2.133	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1ccc(O)c(O)c1	2054397745	LNACTZOLAVEMAI-YPMHNXCESA-N	350.415	2.331	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1CNC(=O)c1ccc(O)c(O)c1	2054413926	MUOAYHXSOSVTFF-CQSZACIVSA-N	350.415	2.473	10	10	FECE	
COC[C@H](CC(=O)N(C)Cc1ccccc1O)NC(=O)OC(C)(C)C	2060201930	XELOZZMSKOSUSN-AWEZNQCLSA-N	352.431	2.280	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H](N=[N+]=[N-])C1)[C@@H]1CCOC1	2060621204	LBMVRONCMUVIDP-AGIUHOORSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](C(F)(F)C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1	2064190311	YPXZVMJAAJVTKQ-IJLUTSLNSA-N	360.401	2.144	10	10	FECE	
C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)CCc1ccc(N)cc1	2106699722	PMJVTHZEXLWDMF-RISCZKNCSA-N	357.376	2.259	10	10	FECE	
Nc1ccc(O)c(CN2CCC[C@H]3CC[C@@]32CNC(=O)C(F)(F)F)c1	2106740692	WODREYJMBOCXDZ-BLLLJJGKSA-N	357.376	2.398	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@]12COCCN(c1ccc(N)cc1)C2	2106838910	NWLTYZZLYNSUBV-IBGZPJMESA-N	363.458	2.112	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](NC(=O)c2cccc(O)c2O)C1	2219127747	WRXBTVYKZWUHPD-GHMZBOCLSA-N	354.378	2.175	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N[C@@H]3CCC[C@@H]3N=[N+]=[N-])CO[C@H]2C1	2333612869	CYPNQJJYNSGZPQ-POQQGIQPSA-N	365.434	2.216	10	10	FECE	
CNC(=O)[C@H]1CCCN1C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C	104358153	BWENYTCMTXDNOY-GOSISDBHSA-N	355.438	2.453	10	10	FECE	
COc1cccc(CNCCN(C[C@H](C)O)C(=O)OC(C)(C)C)c1O	302127131	XOKDINKDRHNLKR-ZDUSSCGKSA-N	354.447	2.108	10	10	FECE	
CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C/C=C\c1ccco1	33248288	ZYVBQDPEHDVNPV-GCLJLESYSA-N	357.391	2.289	10	10	FECE	
CN(c1ccc(CN)c(Br)c1)[C@H]1CC[C@H](S(C)(=O)=O)C1	2361593110	LZGAXYADZXSPBC-AAEUAGOBSA-N	361.305	2.310	10	10	FECE	
COC(=O)Cc1csc(NC(=O)CN(C)c2ccc(OC)c(F)c2)n1	274115972	XHGCICNENCWKMZ-UHFFFAOYSA-N	367.402	2.081	10	10	FECE	
C[C@H](CNC(=O)NCc1cc(Br)ccc1O)Cn1cccn1	804970379	SSSNAVIHDVFIRQ-LLVKDONJSA-N	367.247	2.487	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC[C@@H](O)CC3CCCC3)cc2)C1	818967859	DDPLOVBOIKYBOD-QUCCMNQESA-N	359.514	2.419	10	10	FECE	
CN(C)c1ccc2c(c1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2	575541621	RFNSRIKLVAJPHU-LJQANCHMSA-N	354.406	2.314	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)N3C[C@@H](C)CC[C@@H]3C)C2)cc1	824980585	GQZDGXWXFPQGBZ-YESZJQIVSA-N	373.497	2.285	10	10	FECE	
COc1ccc(N2CCCN(S(=O)(=O)[C@@H]3CCO[C@H](C)C3)CC2)cc1	830124718	MOKNUBNTEHXNGU-CRAIPNDOSA-N	368.499	2.105	10	10	FECE	
CN(C)c1ccc(/C=C/CNC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cc1	835044767	OYMLCTHYVZTDSL-MMUANNJHSA-N	351.516	2.073	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1)c1ccc(N(C)C)cc1	848933427	AMVBWVHUKUPAMR-JVPBZIDWSA-N	373.497	2.394	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1	848933455	AZHUAORZXVDHKQ-OALUTQOASA-N	373.497	2.141	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CC[C@H]3CC[C@@H](C2)[S@]3=O)c([N+](=O)[O-])c1	858793452	GBQLXVYLPAFGMP-MFRXLEONSA-N	364.423	2.271	10	10	FECE	
COc1ccc(N2CCN(CCN[C@H]3CCOC[C@@H]3C(C)C)CC2)cc1	924832188	PSOUETMQTNOUSZ-RTWAWAEBSA-N	361.530	2.468	10	10	FECE	
CCC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	855233085	WOXDSKUXKICJIV-QAPCUYQASA-N	359.470	2.181	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CC[C@H](C(=O)OC)[C@H](C)C2)c([N+](=O)[O-])c1	853913356	MOZCSRSQKIQFTN-QZWGFMDZSA-N	362.382	2.416	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cc(C(F)(F)F)n[nH]3)C2)cc1	855223022	AZUPKLZXBIOWOJ-SNVBAGLBSA-N	354.332	2.446	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1C[C@@H]2CCCC[C@H]2N1	852916448	JDLUREMYXVHOKH-DBVUQKKJSA-N	357.498	2.185	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3cccc(F)c3)C2)cc1	852454690	PWZDCYQBLIBLCB-QFBILLFUSA-N	373.428	2.446	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@@H](Cn2ccnn2)C1	854176360	FRCCRUMFRZFCBZ-DLBZAZTESA-N	370.501	2.315	10	10	FECE	
COCCOc1ccc(S(=O)(=O)N2Cc3cccc(O)c3C2)cc1C	867690833	ULXWHPDKXZLRJN-UHFFFAOYSA-N	363.435	2.430	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1nn(C)c(=O)c2ccccc12	935946186	AMXCNFPBSSOEER-UHFFFAOYSA-N	358.394	2.055	10	10	FECE	
CCCN(CCC)c1ccc(CN2CCN(S(C)(=O)=O)CC2)cc1	761610274	DZCOQPDMXSWETH-UHFFFAOYSA-N	353.532	2.390	10	10	FECE	
COc1ccc(N2CCN(C(=O)Nc3cnc(OC)c(OC)c3)CC2)cc1	861415638	QJYJLDKTBJRGMS-UHFFFAOYSA-N	372.425	2.462	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)c1	863356925	RIPYJFTYXIUXGS-RHNCMZPLSA-N	353.422	2.243	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN3CCCC34CCC4)CC2)cc1	769982886	CAFOFJAHCMHLBI-LJQANCHMSA-N	359.514	2.197	10	10	FECE	
O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc3c(c2)CCCO3)ccc1O	775285965	GSBYCLCCLXVWHA-UHFFFAOYSA-N	350.352	2.426	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)C[C@H](O)C1(C)C	1879107687	VEAKANHAOVCBAH-PRXAMGSTSA-N	367.450	2.342	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNc3cccc([C@H](C)O)n3)cc2)CC1	893400073	BLUNNJFLCLXTEO-HNNXBMFYSA-N	354.454	2.416	10	10	FECE	
COC(=O)c1c(CNCCOC[C@@H]2CCCO2)c2cc(F)ccc2n1C	894268140	AUAVXDZPVLLZSX-AWEZNQCLSA-N	364.417	2.389	10	10	FECE	
CN(C)c1ccnc(NC(=O)NCc2cccc(Br)c2O)n1	797640959	BSWIRDMEYWDXGB-UHFFFAOYSA-N	366.219	2.332	10	10	FECE	
COc1ccc(Br)c(CN(C)[C@@H](C)C[S@@](C)=O)c1O	1964620775	ZYDULFZZICMHQJ-ZRNGKTOUSA-N	350.278	2.362	10	10	FECE	
Cc1ccc(-c2nnc(S)n2CC(=O)NCc2ccc(O)cc2O)cc1	1162271468	GMEBLSKAIAORBI-UHFFFAOYSA-N	370.434	2.270	10	10	FECE	
Oc1ccc(F)cc1CNCCn1cc(I)cn1	1963630553	TWRYNGHQJRFLOR-UHFFFAOYSA-N	361.158	2.122	10	10	FECE	
CCCn1nccc1NC(=O)CN(CC(=O)OCC)Cc1ccccc1O	1171389930	DTBLYZPUTDLVAO-UHFFFAOYSA-N	374.441	2.003	10	10	FECE	
C[C@@H](NC(=O)C(=O)N1CC[C@@]2(C1)CC2(F)F)c1ccc(N(C)C)cc1	1261536994	FEJZSQBLTSYTEF-PXAZEXFGSA-N	351.397	2.188	10	10	FECE	
CNC(=O)CN(Cc1ccccc1)C(=O)c1ccc(N=NC(N)=O)cc1	1455002285	NBWMLLKFIQCCBA-UHFFFAOYSA-N	353.382	2.237	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCCN(CC(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2124505597	NEQJNAPSJFTOHC-UONOGXRCSA-N	366.466	2.277	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C=C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1	2124318648	ZYSSNDFSJJLOSD-ZIAGYGMSSA-N	362.426	2.226	10	10	FECE	
Cn1cc(C(=O)N2CCC[C@H]2CN=[N+]=[N-])nc1CNC(=O)OC(C)(C)C	2124539853	ZXUWASBZKHHUGO-NSHDSACASA-N	363.422	2.360	10	10	FECE	
COc1cccc(-n2cc(NC(=O)/C=C/c3ccc(O)c(O)c3)nn2)c1	1631157326	BPPUFEMIVJHAEK-SOFGYWHQSA-N	352.350	2.339	10	10	FECE	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(C(=O)O)cc3)C2=O)cc1	2298169	IECWPNSBYHMJBL-XNTDXEJSSA-N	366.329	2.060	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@H]2CCOC2)n1C[C@H]1CCOC1	1747750704	XIMUIJPCJJCUOK-ZBFHGGJFSA-N	358.442	2.161	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)c1	161485447	GOYUOJFBJQGYBK-CHWSQXEVSA-N	373.457	2.491	10	10	FECE	
CN(Cc1nccn1Cc1ccccc1)C[C@@H](O)COc1ccc(N)cc1	1915037213	JMERDMNILIPHLY-LJQANCHMSA-N	366.465	2.385	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H](CC(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1	2135932820	AUCYDBBLZFGIAK-UONOGXRCSA-N	367.450	2.419	10	10	FECE	
C[C@@H]1C[C@H](CNCc2cccc(Br)c2O)CCS1(=O)=O	1967903067	XJNCQQCGIZGWHW-GHMZBOCLSA-N	362.289	2.458	10	10	FECE	
O=C(N[C@@H]1COCC[C@@H]1NCc1ccc(O)cc1O)OCc1ccccc1	1943955353	QKYDCTBJLJWLFB-ZWKOTPCHSA-N	372.421	2.271	10	10	FECE	
C[C@H](N)c1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)c(Br)c1	2151276215	RQQOOYLATXGBDR-PXWWUCIGSA-N	359.289	2.092	10	10	FECE	
CN1CCc2cc(CN[C@@H]3CO[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]34)ccc21	2178141612	BMXUNGIFTJZLNX-LMMKCTJWSA-N	373.497	2.403	10	10	FECE	
O=C(O)CN1CC[C@H](NCc2cc(Cl)cc(Br)c2O)C1	2169326438	BKDDIOKEFAZHRE-JTQLQIEISA-N	363.639	2.057	10	10	FECE	
CN(C(=O)CN1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccc(N)cc1	2188879578	SWFGHELNUUZMHP-RHSMWYFYSA-N	374.485	2.173	10	10	FECE	
CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C[C@@](C)(O)CO	2049129987	LEKGRVNEGYZNJY-LJQANCHMSA-N	350.459	2.207	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCN=[N+]=[N-])C[C@@H]2COCC[C@@H]21	2060638691	ZTZLTKXTIHXEHB-UPJWGTAASA-N	353.423	2.075	10	10	FECE	
CC(C)N(CCNC(=O)OC(C)(C)C)C(=O)c1cc(O)c(O)c(O)c1	2068624495	PTAOMCGFIMFSOP-UHFFFAOYSA-N	354.403	2.179	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]1(O)[C@H](N)c1ccc2c(c1)CCN2C	2106857465	LEIGWNGGYVAFBT-YXKFXFPPSA-N	361.486	2.297	10	10	FECE	
C[C@H](NC(=O)C12CC(NC(=O)OC(C)(C)C)(CO1)C2)c1ccccc1O	2266008038	NXNMMYMYTAISQB-RMEHTXHKSA-N	362.426	2.396	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cccc(O)c2O)C[C@@H](F)C1	2219134967	WRXBTVYKZWUHPD-MNOVXSKESA-N	354.378	2.175	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C(=O)N3CC[C@@H](N=[N+]=[N-])C3)O[C@@H]2C1	2273722040	LTOOVMKQOXDPQU-REWJHTLYSA-N	365.434	2.312	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C[C@H](O)C1(C)C	2225794344	FGKJTQKYPBJQLT-QLQJRFMMSA-N	367.450	2.388	10	10	FECE	
CN1CCc2cc([C@H](O)[C@]3(C(=O)O)C=CCN3C(=O)OC(C)(C)C)ccc21	2237168409	IIZSMAOSKAITSH-JXFKEZNVSA-N	374.437	2.343	10	10	FECE	
COCCCN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)C(C(=O)OC)=C1C	2297322321	XQGGYLCAEDKZCA-UHFFFAOYSA-N	360.366	2.304	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](O)([C@H](N)c2ccccc2O)C(F)(F)C1	2316749803	NUKHBKXHSHMKTG-CZUORRHYSA-N	358.385	2.399	10	10	FECE	
O=C(CSc1nccs1)N1CCN(C(=O)c2ccc(F)cc2)CC1	55178391	VGRLVEYRJMBNLG-UHFFFAOYSA-N	365.455	2.359	10	10	FECE	
C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(=O)N1CCCCC1	69438844	IYKPFZMMPHXAMT-INIZCTEOSA-N	358.486	2.487	10	10	FECE	
Cc1ccc2nc(O)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(=O)n2c1	102845536	SVZICUTVGGTMPR-IZZDOVSWSA-N	361.448	2.318	10	10	FECE	
CC[C@H]1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CCN1CCOC	121556321	IEMBKQAMFCSDSP-ZDUSSCGKSA-N	353.419	2.159	10	10	FECE	
C[C@@H](NC(=O)/C=C/c1ccc(N2CCOCC2)cc1)C(=O)N1CCCCC1	172133148	YPRGYXIJVCYFAD-PYUISTEWSA-N	371.481	2.054	10	10	FECE	
Cc1cc(C(=O)N2CCOC[C@@H]2C(N)=O)c(C)n1-c1ccc(Cl)cc1	180268644	VQEOYARHWITNQY-MRXNPFEDSA-N	361.829	2.074	10	10	FECE	
COc1cc(Cl)cc(CN2CCCN(Cc3cnn(C)c3)CC2)c1O	184690534	FNOBFPVXHHKPMI-UHFFFAOYSA-N	364.877	2.496	10	10	FECE	
CC[C@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C(=O)OC	276810358	FPLULTKURYLZCD-UMVBOHGHSA-N	366.433	2.255	10	10	FECE	
C[C@H](N[C@@H](CO)C[C@H](O)C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1	284546000	XSQIGDRBRZSNFX-GMBSWORKSA-N	368.493	2.471	10	10	FECE	
C[C@H](N[C@H]1[C@H]2OCC[C@@H]2[C@H]1NC(=O)OC(C)(C)C)c1ccc(O)cc1O	311291646	AZMWUFUFUCPWFZ-CRJBSTRQSA-N	364.442	2.429	10	10	FECE	
Nc1ccc(OCCC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1	312316927	BYQGXPFNIUWFRG-HXUWFJFHSA-N	369.465	2.055	10	10	FECE	
C[C@@H](NC[C@]1(CO)COCC2(CCC2)N1C)c1ccc(Cl)cc1O	527946469	DSSZUXGZICWNCF-ACJLOTCBSA-N	354.878	2.312	10	10	FECE	
O=C(N[C@@H]1CCNC12CCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1	529360865	UKZDQCPSVBLZSL-FUHWJXTLSA-N	359.470	2.367	10	10	FECE	
Oc1ccc(CNCCC2(O)CCN(Cc3ccccc3)CC2)c(O)c1O	717991445	DMOHPLPSNVGAQD-UHFFFAOYSA-N	372.465	2.310	10	10	FECE	
COc1ccc(C(=O)NCC(=O)N[C@H](C)c2cc(OC)ccc2O)cc1	728979745	LMKRXFXCUWNGJZ-GFCCVEGCSA-N	358.394	2.017	10	10	FECE	
CNC(=O)CCN(C)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C	732440834	BMXQQGBQYUSXIV-UHFFFAOYSA-N	356.470	2.414	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN(C(C)C)C3CCOCC3)nc12	740886269	LIKVVUTWXKXPID-UHFFFAOYSA-N	362.430	2.001	10	10	FECE	
Cn1nccc1CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	768083680	YQWZWYDWWXGXEV-HNNXBMFYSA-N	362.861	2.102	10	10	FECE	
COc1cccc(CNc2cc(Br)cnc2C(N)=O)c1O	770109847	CNWJSIYJWBFUAR-UHFFFAOYSA-N	352.188	2.269	10	10	FECE	
CN(c1ccc(CNC(=O)NCCc2nnnn2C)cc1)C1CCCCC1	771951295	PVJXANNYXYBIDA-UHFFFAOYSA-N	371.489	2.021	10	10	FECE	
COc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)C(C)=O)s2)cc1	808525441	AOCPDULDPJXYQP-UHFFFAOYSA-N	361.375	2.324	10	10	FECE	
CC(=O)C(=O)COC(=O)C[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	808528307	XBOAAXQVHDOXTO-JSGCOSHPSA-N	355.431	2.361	10	10	FECE	
CN(C)c1ccc(CN(C(=O)CN2CCN(C3CC3)C2=O)C2CC2)cc1	821033328	PYLBARRJBFHLJA-UHFFFAOYSA-N	356.470	2.144	10	10	FECE	
Cc1cc(Br)c(O)c(CN(C)[C@@H]2CCN3CCO[C@H]2C3)c1	824501564	OPYDHNNNNSKRQI-CABCVRRESA-N	355.276	2.368	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)[C@H](O)C3CCC3)cc2F)C[C@@H](C)O1	825359248	KJGKSWFLQHOHKO-FHSNZYRGSA-N	350.434	2.217	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3C[C@H]4[C@H]5C=C[C@@H](CC5)[C@H]4C3)nc12	830854662	DZVZMKNOGMASOX-MGBSGCIJSA-N	368.437	2.256	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CCn2ccnc21	836241839	IGBPNYGGMSRENQ-MRXNPFEDSA-N	357.483	2.381	10	10	FECE	
Cc1cc(C(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)c(C)n1-c1ccccn1	837096764	OFTVEHQOXVIXEZ-DLBZAZTESA-N	373.478	2.281	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CC[C@H](C(=O)O)C1	846709966	ZHFLQNWBXOAAEF-MNOVXSKESA-N	369.801	2.048	10	10	FECE	
COC(=O)N1CC(N[C@@H](C)c2cc(Br)cc(OC)c2O)C1	848536931	YFBNCGXXVLPNSE-QMMMGPOBSA-N	359.220	2.265	10	10	FECE	
C[C@H](NC(=O)NCCC1(CS(C)(=O)=O)CC1)c1ccc(N(C)C)cc1	852261045	JLIUWCHQZHVXMH-AWEZNQCLSA-N	367.515	2.328	10	10	FECE	
Cc1cc(CN2C(=O)N[C@@H](CC3OCCO3)C2=O)c(C)n1-c1ccccc1	925027780	DRQLWFURXYEQOF-KRWDZBQOSA-N	369.421	2.278	10	10	FECE	
C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1nnc(O)n1C	926137039	RCVLFCFKAAIHDQ-GFCCVEGCSA-N	358.446	2.022	10	10	FECE	
Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3c(C)nn(C)c3C)C2=O)c(C)c1	1083905441	KXSZBJQLJCWAIH-NTEUORMPSA-N	367.409	2.233	10	10	FECE	
CN(Cc1ccccc1O)c1nnc(C2CC2)n1C[C@@]1(C)COCCO1	1314752988	JEQHJXRJTQPAQP-IBGZPJMESA-N	358.442	2.303	10	10	FECE	
C[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CCS1	1341095093	URVMTIKDELUCPX-GOEBONIOSA-N	359.495	2.079	10	10	FECE	
Cc1ccc(C(=O)NCCc2nnc(-c3ccccc3)n2C)c(O)c1O	1556147789	LAUKUAKCUZQXJY-UHFFFAOYSA-N	352.394	2.174	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)NCc2c(O)cccc2O)C1	1558535840	QCOVADFJASUISB-XHDPSFHLSA-N	368.405	2.309	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@H]1CCN(C(=O)OCc2ccccc2)C1	1645363521	YRGLFDVRWYFEQW-HNNXBMFYSA-N	370.405	2.373	10	10	FECE	
N[C@]1(c2cc(Br)cc(Br)c2O)C[C@H]1C(=O)O	1952775204	NVLFHBIPZVBKLX-WKEGUHRASA-N	350.994	2.176	10	10	FECE	
CC(C)(C)OC(=O)NCc1nc(=NCc2cccc(F)c2O)s[nH]1	2014182755	TWFQJGYNDUETTN-UHFFFAOYSA-N	354.407	2.442	10	10	FECE	
COc1ccc(N2CC[C@@H](OCCNC(=O)OC(C)(C)C)C2)c(N)c1	2049888310	NZIKJQAELIZXGK-CQSZACIVSA-N	351.447	2.397	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2060637532	MDUFCXVQJXVSBN-OLZOCXBDSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NCc2cc(F)cc(F)c2O)C1	2063344114	COLOHQWYZNETGY-KBPBESRZSA-N	358.385	2.130	10	10	FECE	
C[C@@H](NC(=O)CCOc1ccc(N)cc1)C1CN(C(=O)OC(C)(C)C)C1	2106235371	NMTRYGBKQAGXKD-CYBMUJFWSA-N	363.458	2.409	10	10	FECE	
CC(C)(C)OC(=O)NC1CC(F)(CNC(=O)COc2ccc(N)cc2)C1	2106268682	OSVHZLUTQKPBIZ-UHFFFAOYSA-N	367.421	2.159	10	10	FECE	
CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H]1CN(C2CC2)C[C@@H]1O	2106777739	WKHNOKNLSSLTQJ-ROUUACIJSA-N	361.486	2.355	10	10	FECE	
COc1cc(N)c(N2CC[C@H](NC(=O)C(F)(F)F)C[C@H]2C)cc1OC	2106880389	IWQYRAKSSGHDTE-ZJUUUORDSA-N	361.364	2.322	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])C1	2218746612	RDFPXPZDOUFVIK-RWMBFGLXSA-N	353.423	2.360	10	10	FECE	
CNC(=O)CCCN1C(=O)C(=Cc2ccc(OC)cc2)SC1=S	2297500862	OFYNMGXTLZMYIC-UHFFFAOYSA-N	350.465	2.423	10	10	FECE	
CNC(=O)[C@H]1CN(C(=O)C=Cc2cc(C)n(-c3ccccc3)c2C)CCO1	2308187269	WBBQKGPGWMSQTJ-LJQANCHMSA-N	367.449	2.081	10	10	FECE	
C[C@H](O)[C@@H](C(=O)O)N1C(=O)C(=Cc2ccccc2Cl)SC1=S	2323823652	CRTAVEAAMOKAPT-CPCISQLKSA-N	357.840	2.375	10	10	FECE	
C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(O)c(O)cc2C1	2341198242	WKGRVCXFPOHGMZ-NSPYISDASA-N	362.426	2.286	10	10	FECE	
CC[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CCN1CCOC	117486834	SFNXILKGVNAJOA-INIZCTEOSA-N	366.481	2.144	10	10	FECE	
Cc1cc(O)c(CN2CCC(CC(=O)N3CCN(C)CC3)CC2)cc1C	66859617	ZREOGAFNTVEDFV-UHFFFAOYSA-N	359.514	2.385	10	10	FECE	
C[C@H](N[C@@H](C)[C@@H](C)N1CCOCC1)c1ccc(N2CCC(O)CC2)cc1	133974780	QQSUZBIEHORCJL-OKZBNKHCSA-N	361.530	2.408	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N2CCc3cc(O)c(O)cc3C2)C1	2366907141	CWIYZLORTUMWOG-CQSZACIVSA-N	374.437	2.240	10	10	FECE	
Nc1ccc(CCNS(=O)(=O)c2cnn(-c3ccccc3F)c2)cc1	193336508	DHRLHIXVYZGIDU-UHFFFAOYSA-N	360.414	2.115	10	10	FECE	
C[C@H](C1CC1)n1nccc1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	192005333	IJODESAUFSQYCJ-GFCCVEGCSA-N	373.432	2.314	10	10	FECE	
COc1ccc([C@H]2[C@@H](C(=O)NCCc3ccc(N)cc3)CC(=O)N2C)cc1	237379596	OZNJNMILWJMUFG-ICSRJNTNSA-N	367.449	2.156	10	10	FECE	
COc1ccc([C@@H](C)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(O)c1	716978749	NZPRILAYOIGMKN-XNJGSVPQSA-N	366.458	2.279	10	10	FECE	
COC[C@@H](CCCN)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	817888857	QGGVFFIVHRWKFP-HLLBOEOZSA-N	353.482	2.283	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3cc4c(cn3)OCCO4)C2)cc1	819586588	BMDCHRWJUSWPKO-CQSZACIVSA-N	369.421	2.118	10	10	FECE	
CCN1CCN(c2ccc(CN=c3cc[nH]cc3[N+](=O)[O-])cc2F)CC1	730108059	DXQKOMNNJLGMDP-UHFFFAOYSA-N	359.405	2.305	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H]2COC3(CCC3)C2)cc1	830084448	FCISXKRZULFWAI-QGZVFWFLSA-N	373.497	2.319	10	10	FECE	
C[C@@H]1CN(Cc2cc(O)n3ncc(C(=O)O)c3n2)CCc2ccc(F)cc21	846290262	GZEMBQBGJFTQLV-LLVKDONJSA-N	370.384	2.434	10	10	FECE	
Fc1cc(CN2CCO[C@@]3(CCSC3)C2)ccc1N1CCOCC1	843417593	JPLXAWVOGVKDQQ-SFHVURJKSA-N	352.475	2.370	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cn(C)nc3C(F)F)C2)cc1	855233829	NPCNRRAXIZVMHJ-NSHDSACASA-N	350.369	2.375	10	10	FECE	
Cc1cc(C(=O)N2CCN(c3ncns3)CC2)c(C)n1-c1ccccn1	854816779	OMQNTPSBKCDKHA-UHFFFAOYSA-N	368.466	2.303	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)Cc3ccnn3C)cc2F)C[C@@H](C)O1	766416054	MWRJYFPPIQQGMH-OKILXGFUSA-N	360.433	2.032	10	10	FECE	
COC(=O)Cc1cccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1	777638089	OWJDFQQUFCSWEB-UHFFFAOYSA-N	354.406	2.491	10	10	FECE	
CC[C@@H]1NC(=O)N(Cc2ccc(N3CCN(CC4CC4)CC3)cc2)C1=O	777673816	QERONGXKJCZIKH-SFHVURJKSA-N	356.470	2.049	10	10	FECE	
CCOC(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	1149326320	OQYJOWWROOVFGD-RYWCDNDXSA-N	371.393	2.027	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)cc1	1142059447	OENSZDYWRRGFSI-OAHLLOKOSA-N	369.381	2.363	10	10	FECE	
CN(Cc1c(I)cnn1C)c1ccc2c(c1)OCO2	1307586050	SZYSDIAFZQRTOY-UHFFFAOYSA-N	371.178	2.390	10	10	FECE	
CN1C(=O)[C@H](N)c2ccc(N3C[C@H]4CN(Cc5ccccc5)C[C@@H]4C3)cc21	705963141	OYENEIFUXXOWMF-CBGDNZLLSA-N	362.477	2.231	10	10	FECE	
Cc1cc(CNC(=O)CSc2n[nH]c(O)n2)c(C)n1-c1ccccc1	1454623787	HZNMRYOCWKMZGT-UHFFFAOYSA-N	357.439	2.326	10	10	FECE	
NC(=O)c1cc(Br)ccc1NC(=O)Cc1ccc(O)c(O)c1	1629640692	JSDDIVNGMJBDCZ-UHFFFAOYSA-N	365.183	2.140	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H]1OCC[C@@H]1CNC(=O)OC(C)(C)C	2124031677	UGLCYLWRVKUXDD-CJNGLKHVSA-N	364.442	2.280	10	10	FECE	
CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1	1568720728	CKPQPDQYYHKGKG-AWEZNQCLSA-N	350.415	2.110	10	10	FECE	
Cc1ccc(CN2C[C@H](C(=O)NCc3c(O)cccc3O)CC2=O)cc1	1647178738	UIVHCXAVPZYXDH-OAHLLOKOSA-N	354.406	2.071	10	10	FECE	
COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2124507980	MPAUNTSLPFUOAZ-CHWSQXEVSA-N	371.438	2.397	10	10	FECE	
C[C@H](NC(=O)Cn1c(S)nc2ccccc2c1=O)c1ccccc1O	1642828062	XWACJBWASUTKCV-NSHDSACASA-N	355.419	2.268	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc2nn[nH]c2c1	1597567593	SSUOULWGQLELCY-UHFFFAOYSA-N	374.784	2.132	10	10	FECE	
CC(C)(C)OC(=O)NCC1(CC(=O)NCc2cc(O)ccc2O)CC1	1593881422	LDFFINIQUJMRCK-UHFFFAOYSA-N	350.415	2.409	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1NC(=O)CC1(C)C	1694638320	XCTIRFIQUYLVDP-HNNXBMFYSA-N	357.458	2.097	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1	2132412004	ZKAMPGSCIWGXSL-ZYHUDNBSSA-N	366.414	2.227	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@H]1CF	2136240185	JLCYWTGBBBIIHB-STQMWFEESA-N	368.405	2.104	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCCOC1	1968857105	HTRDYOCAJNKCHG-IBGZPJMESA-N	364.442	2.425	10	10	FECE	
CN[C@@H](C)c1ccc(N2CC(CS(C)(=O)=O)C2)cc1Br	2159436092	XIBGHKDFOLOCKD-JTQLQIEISA-N	361.305	2.210	10	10	FECE	
COc1ccc(O)c(CNC[C@H]2CN(C(=O)OC(C)(C)C)CCN2C)c1	394440622	XJIVFYGASMBGRY-HNNXBMFYSA-N	365.474	2.042	10	10	FECE	
O=C(c1ccc(O)c(O)c1)N1CCC[C@@H]2CC[C@]21CNC(=O)C(F)(F)F	2174800273	NZANUSFLCGAPFP-BZNIZROVSA-N	372.343	2.161	10	10	FECE	
CCCN(c1ccc(CN)c(Br)c1)[C@@H]1CCS(=O)(=O)C1	2201907279	HGJWGBFMIZFHGO-CYBMUJFWSA-N	361.305	2.311	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(F)cc2O)[C@@H](CO)C1	2084177674	YWFMZZLGNDKOSV-HIFRSBDPSA-N	354.422	2.239	10	10	FECE	
C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)COc1ccc(N)cc1	2106778386	CRBQASGESDIJEZ-UONOGXRCSA-N	363.458	2.409	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-]	2225794493	GIEFWKPNRAWPGE-JHJVBQTASA-N	363.422	2.193	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)c1ncn2c1CN(C(=O)OC(C)(C)C)CC2	2271037295	FGLJQBVNIMEQMT-UHFFFAOYSA-N	363.422	2.406	10	10	FECE	
O=C(O)[C@H]1CC[C@H](O)CN1Cc1cc(Cl)cc(Br)c1O	2279185761	HSSAPCOVTAVJNH-GXSJLCMTSA-N	364.623	2.218	10	10	FECE	
Cc1ccc(-n2c(C)cc(C=CC(=O)NCCC(=O)NC(N)=O)c2C)cc1	2298026400	DXCJAIUGMJZGPX-UHFFFAOYSA-N	368.437	2.117	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1	2308002091	UQRMWUDWPUJVHZ-HOCLYGCPSA-N	356.422	2.113	10	10	FECE	
COC(=O)[C@@H](C)NC(=O)NCc1cc(C)n(-c2ccc(OC)cc2)c1C	9228680	XEGOPXJHYGFLPV-CYBMUJFWSA-N	359.426	2.463	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)/C=C/c3ccnn3C)cc2F)CC1	106702830	IOEGQVZMXCVUDP-FNORWQNLSA-N	371.460	2.031	10	10	FECE	
C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCOc2cc(N(C)C)ccc21	255341653	WOXUKDHIEVKJPS-AWEZNQCLSA-N	369.469	2.180	10	10	FECE	
COC(=O)[C@H](CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1)CC(C)C	255718964	GVTPEUOVKPLNEP-KKMIYCERSA-N	374.481	2.488	10	10	FECE	
CCC(=O)N1CSC[C@@H]1C(=O)NCc1cc(Br)ccc1O	804736633	WLYCYEKKCUSBLV-LLVKDONJSA-N	373.272	2.082	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@](CO)(NCc2ccc3c(c2)CCO3)C1	2133752746	FXMDXLNPYOGBOP-FQEVSTJZSA-N	362.470	2.473	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCN(c3ncccn3)C2)c1	728948549	CSUIUXGVMMQPAJ-UONOGXRCSA-N	371.441	2.220	10	10	FECE	
C[C@H]1Oc2ccc(C(=O)O)cc2N(OCCOc2ccc(N)cc2)C1=O	821299508	LHXYBSKRQFGTJM-LLVKDONJSA-N	358.350	2.092	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Nc3ccc4c(n3)OCCO4)C2)cc1	825003464	UYGMXAFXSFZURQ-CYBMUJFWSA-N	370.409	2.262	10	10	FECE	
C[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(O)C2)c1ccc(N2CCOCC2)cc1	732455052	BPKMBDCVOXLGDL-WBAXXEDZSA-N	359.470	2.282	10	10	FECE	
CO[C@@H]1COCC[C@@H]1CC(=O)NCc1cc(Br)ccc1O	831932971	OSFNDVWUMNVUJF-QMTHXVAHSA-N	358.232	2.213	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCN(CC(=O)N3CCCCC3)CC2)cc1	835026339	VHQSSAGYIFYEHY-SREVYHEPSA-N	370.541	2.396	10	10	FECE	
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(N(C)C)cc1	845910103	BNMZTUPKQTXUHO-NSHDSACASA-N	350.400	2.095	10	10	FECE	
CCOC(=O)c1cnc(N2CCN(C(=O)c3cc(O)cs3)CC2)s1	743751204	CKZBPSCJKXXXQY-UHFFFAOYSA-N	367.452	2.049	10	10	FECE	
COc1ccc(N(CC(=O)O)CC(=O)NCc2cccc(C)c2OC)cc1	853010642	IHWKDRFAPDVNOE-UHFFFAOYSA-N	372.421	2.220	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cccc(-c4nc[nH]n4)c3)C2)cc1	855233597	IVQAXQKJJPSLJO-MRXNPFEDSA-N	363.421	2.489	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cccc(-n4cccn4)n3)C2)cc1	855230728	IRXOJRAGKHCXDY-OAHLLOKOSA-N	363.421	2.285	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCCC3CC(OC)C3)CC2)cc1F	852415588	PERSUXYVPHYZBD-UHFFFAOYSA-N	365.449	2.481	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@]4(CCCN(C)C4)C3)C2)cc1	854297626	PHYOFVLVFDBELH-LAUBAEHRSA-N	372.513	2.401	10	10	FECE	
Cc1cnn(C)c1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	850420181	IANPLLQKKUOXTM-UHFFFAOYSA-N	357.458	2.170	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(-c2cn[nH]c2)cn1	864984398	QIFYLAFEUJQRDU-UHFFFAOYSA-N	363.421	2.238	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC1C[C@@H]2CC[C@H](C1)S2	1119676866	PJOCNZWXVDTXRM-ZNXRZULTSA-N	373.522	2.446	10	10	FECE	
O=C(c1cccc2ncnn12)N(Cc1ccccc1O)C[C@@H]1CCCO1	782170081	QGVJCUJMZIUYHE-HNNXBMFYSA-N	352.394	2.256	10	10	FECE	
C[C@H](CN1CCOCC1)C(=O)N(Cc1ccco1)Cc1ccccc1O	783651693	ZBBISZKBMHSVLR-MRXNPFEDSA-N	358.438	2.482	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCS(=O)(=O)[C@H](C)[C@@H]2C)c1	781914077	YAHCRAGRDCGTEG-WDEREUQCSA-N	362.289	2.471	10	10	FECE	
CC(C)[C@@H](NC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C1CC1	1327935097	USCQLZJABBFJFW-DNVCBOLYSA-N	373.497	2.251	10	10	FECE	
CCOC(=O)CN(Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CCC1	1338075788	VYMRLOIYQWTDJB-UHFFFAOYSA-N	363.477	2.495	10	10	FECE	
O=C(COc1ccsn1)NCc1ccc(N2CCC(CO)CC2)cc1	1618539356	MBLHDNLLYWUGSP-UHFFFAOYSA-N	361.467	2.047	10	10	FECE	
Cc1cc(N(C)C)ccc1Cn1c(C(C)C)nnc1N1CCNC(=O)CC1	1542224853	UULSIBHZOYCEBQ-UHFFFAOYSA-N	370.501	2.151	10	10	FECE	
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NCc1cc(O)ccc1O	1471660999	QMULSVHTTVXSLS-MRXNPFEDSA-N	374.462	2.266	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccnc(N)c1[N+](=O)[O-]	1628954763	QNANZTDEHWKJOL-UHFFFAOYSA-N	355.398	2.444	10	10	FECE	
COc1ccc(CNC[C@@](C)(NC(=O)[C@@]23COC[C@@H]2C3)C2CC2)cc1C	1714163328	RJOBYSUGENZONV-WMQCIHAUSA-N	358.482	2.415	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)N2CCC[C@H](CN=[N+]=[N-])C2)C1	2124509835	PPIODWYFEIVDCC-KGLIPLIRSA-N	366.466	2.134	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CC1	2124541071	OHXMTZXFFWIGDF-ZDUSSCGKSA-N	367.450	2.297	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)NCc1ccccc1O	2124256317	CYRDECOKRQMWAO-LSDHHAIUSA-N	364.442	2.471	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCN(c3cccc(F)c3)C(=O)C2)cc1	1638065748	YWMUJHFUUQQEEI-UHFFFAOYSA-N	369.356	2.477	10	10	FECE	
CC[C@]1(CO)CCCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1638917125	DQPVBTMOXVPIDI-AZUAARDMSA-N	362.518	2.302	10	10	FECE	
Cc1cccc(O)c1CN=c1nc(CCN(C)C(=O)OC(C)(C)C)[nH][nH]1	2128843072	QWVHOYOCJBGPNA-UHFFFAOYSA-N	361.446	2.262	10	10	FECE	
CC[C@@H](NCCS(=O)(=O)N1CCSCC1)c1ccc(N(C)C)cc1	155775998	YQJGQVCHLKYXEB-QGZVFWFLSA-N	371.572	2.172	10	10	FECE	
COC(=O)c1sc(NC(=O)Cc2ccc(N)cc2)c(C(=O)OC)c1C	1865957112	WSWYTPHCROKZPN-UHFFFAOYSA-N	362.407	2.393	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NCc3ccc(O)c(O)c3O)[C@H]21	2033595135	DTONFXZVNBQJNZ-XBFCOCLRSA-N	350.415	2.291	10	10	FECE	
CC(C)(C)OC(=O)NCC1(NCc2cccc(O)c2O)CCOCC1	705682699	BHHNZKHWVUFRMK-UHFFFAOYSA-N	352.431	2.261	10	10	FECE	
CO[C@@H]1C[C@@H](C(=O)NCC2(CN=[N+]=[N-])CC2)N(C(=O)OC(C)(C)C)C1	2060615717	RLKPXLLQHOIUGM-NEPJUHHUSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COCC[C@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2060632944	HMBJWQCZVUVLLD-VXGBXAGGSA-N	353.423	2.123	10	10	FECE	
CO[C@@H](C(=O)N1CCC[C@H]1CN=[N+]=[N-])C1CN(C(=O)OC(C)(C)C)C1	2060634099	VIUXHQASUXGRLJ-QWHCGFSZSA-N	353.423	2.170	10	10	FECE	
C[C@](NC(=O)C(F)(F)F)(C(=O)NCC1(CN=[N+]=[N-])CC1)C(F)(F)F	2060639654	KMPPLUMVGHGDEC-QMMMGPOBSA-N	361.246	2.193	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1cc(O)c(O)c(O)c1	2068626556	BZLYYFPDOJXGCN-SNVBAGLBSA-N	354.403	2.179	10	10	FECE	
C[C@H](CCCNC(=O)c1cc(O)c(O)c(O)c1)NC(=O)OC(C)(C)C	2068619972	DJCLVROQCGRIMS-SNVBAGLBSA-N	354.403	2.227	10	10	FECE	
C[C@H]1CCN(CCCOc2ccc(N)cc2)C[C@H]1NC(=O)C(F)(F)F	2106676357	ZCNKNUIJJMHSLA-SWLSCSKDSA-N	359.392	2.427	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1	2106652107	WATUGTIWRCXQPS-KGLIPLIRSA-N	362.474	2.442	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CNC[C@@H]1C[C@H](O)CCO1	2097944754	GNFFAIONUWHPDE-MNOVXSKESA-N	350.640	2.438	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2218738512	PRBCVUUSQUBAAH-QNWHQSFQSA-N	353.423	2.264	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2264512027	JNUMOIGQQQOYNH-UONOGXRCSA-N	367.450	2.296	10	10	FECE	
CN(CC1CC(S(C)(=O)=O)C1)c1ccc(CO)c(Br)c1	2285291371	AFPYTZDCWODGCA-UHFFFAOYSA-N	362.289	2.201	10	10	FECE	
CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(S(N)(=O)=O)cc1	2297321565	DYGBXEKHZSPMTQ-UHFFFAOYSA-N	370.434	2.361	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)NCc1ccc(O)c(O)c1	2301404126	FDUYYYXHKWHWSD-UHFFFAOYSA-N	354.406	2.264	10	10	FECE	
COc1ccc([C@@H](C)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c(O)c1	2308261008	HTJYSVKVACIWRJ-DFBGVHRSSA-N	352.431	2.344	10	10	FECE	
COc1ccc(N(Cc2ccco2)C[C@H](O)CN2CCOCC2)cc1F	125444340	QZKKLBZVFBZLTJ-MRXNPFEDSA-N	364.417	2.127	10	10	FECE	
Cc1cc(O)c(CN2CCN(c3ccc4nnc(C)n4n3)CC2)cc1C	93272912	NVZILTWHRQROII-UHFFFAOYSA-N	352.442	2.077	10	10	FECE	
COc1ccc(N2CCN(c3ncc(C(=O)NCC(C)C)cn3)CC2)cc1	244406921	YNQOOIWHBXMDTG-UHFFFAOYSA-N	369.469	2.198	10	10	FECE	
Cc1c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)nnn1C(C)C	295118107	YFCYLMCRPAKWAN-UHFFFAOYSA-N	371.485	2.306	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2c1cc2c(cc1N)OCC(=O)N2	2163118925	DYGCGIBPKWADCF-TXEJJXNPSA-N	374.441	2.188	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)c1ccc(-n2cncn2)nc1	804736879	CNYUUGMRACCYBP-UHFFFAOYSA-N	374.198	2.060	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1snc(O)c1Cl	819698602	OIZVOXPUVOXAEI-UHFFFAOYSA-N	370.814	2.413	10	10	FECE	
COCC[C@H](COC)NC(=O)NCc1cc(Br)ccc1O	811956748	VSVVOUYTGVKXQV-GFCCVEGCSA-N	361.236	2.005	10	10	FECE	
CCC[C@@H](C)N1C[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O	917515716	DHLFNUUWCHUNCV-SJORKVTESA-N	373.497	2.381	10	10	FECE	
COC(=O)COc1cccc(NC(=O)NCc2cc(OC)ccc2O)c1	734059729	FCSOADVMLIZZFP-UHFFFAOYSA-N	360.366	2.274	10	10	FECE	
Cc1cc(CCNC(=O)[C@@H]2CCCN2C(N)=O)c(C)n1-c1ccccc1	747349252	BZAYMUSCBBUPRD-SFHVURJKSA-N	354.454	2.296	10	10	FECE	
O=C(c1ccccc1)c1ccc(O)c(CN2CCN(C3CC3)C(=O)C2)c1O	748263588	KUHMBMCWZVYISQ-UHFFFAOYSA-N	366.417	2.135	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)NCc1ncc2c(n1)CCOC2	845349575	YPRPKEQYQXQXQY-UHFFFAOYSA-N	356.426	2.377	10	10	FECE	
Oc1ncnc2c(NCc3ccc(N4CCOCC4)c(F)c3)nccc12	848647360	FYWCFXKGDMOZCX-UHFFFAOYSA-N	355.373	2.318	10	10	FECE	
C[C@H](C1CC1)n1nccc1NC(=O)C(=O)NCc1cc(Cl)ccc1O	846120593	AZWRQHMGNOPZFB-SNVBAGLBSA-N	362.817	2.468	10	10	FECE	
C[C@@H](NC(=O)NCc1cc(Br)ccc1O)[C@H]1CCCNC1	841926368	GPUXBFROPOLOAF-MNOVXSKESA-N	356.264	2.342	10	10	FECE	
O=C(N[C@H]1CNCCC1(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1	842001574	GQQVMEBHCKLNLU-ZBFHGGJFSA-N	369.412	2.080	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCN2C2CCOCC2)c1	927648466	LYKIQYSTQFZXLZ-HIFRSBDPSA-N	363.458	2.014	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCCC[C@@H]3[C@H](C)CO)C2)cc1	854297337	QGSVZCXMQXWAPC-JTDSTZFVSA-N	361.486	2.466	10	10	FECE	
Cc1nc(N(C)C)nc(N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)n1	754787744	ZYASMFZPQNVYNV-GOSISDBHSA-N	370.501	2.498	10	10	FECE	
CCS(=O)(=O)c1ccccc1CCNC(=O)N1Cc2cccc(O)c2C1	926367488	URHOIDQUWYYCJR-UHFFFAOYSA-N	374.462	2.454	10	10	FECE	
C[C@@H](N[C@H]1CCN(c2ccc3nncn3n2)C1)c1cc(Cl)ccc1O	858488961	OTYBOTBVWQEAAS-YPMHNXCESA-N	358.833	2.413	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn(C[C@H]2CCOC2)nn1	858826710	NPGLGAJYOZYHHM-MRXNPFEDSA-N	357.458	2.043	10	10	FECE	
COc1ccc(N2CCC(NC(=O)NC[C@]3(O)C[C@H]4C=C[C@H]3C4)CC2)cc1	853642212	CGYCNQRRMJXLQO-CKJXQJPGSA-N	371.481	2.290	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](n4cc(C)cn4)C3)C2)cc1	852447743	DOCZEDNUSNKVNQ-WMZOPIPTSA-N	369.469	2.435	10	10	FECE	
O=C(O[C@@H]1CCNC1=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	769951243	ULCVHCWTOKYBKG-CYBMUJFWSA-N	369.760	2.161	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CCOC[C@@H]1C	768179451	GOBUIFHCESIJIV-SMDDNHRTSA-N	355.818	2.220	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN3C[C@@H]4CCCC[C@@]43C)CC2)cc1	1118906801	XSWHRPDFDXNIEY-VCOUNFBDSA-N	373.541	2.443	10	10	FECE	
CC(=O)c1cc(F)cc(Cn2cc(C[C@H](N)Cc3ccccc3)nn2)c1O	880996656	ZCFGQIRJYRPTAO-QGZVFWFLSA-N	368.412	2.486	10	10	FECE	
Cc1cc(CN2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)ccc1N1CCCCC1	1196833368	RLKJFPHXAYAJSF-SFTDATJTSA-N	355.482	2.470	10	10	FECE	
CCOC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	1269587978	MXKKEVVSGAPUCE-SWLSCSKDSA-N	351.472	2.461	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)c3cc(O)ccc3C)CC2)cc1	1292281623	FQXLBYWOCQVJJK-UHFFFAOYSA-N	369.465	2.261	10	10	FECE	
CS(=O)(=O)c1cc(NC(=O)Cc2ccc(O)c(O)c2)ccc1Cl	1296472033	WXPDYRGKCDBJKB-UHFFFAOYSA-N	355.799	2.336	10	10	FECE	
CN(Cc1ccccc1O)C(=O)NCc1cnc(Br)cn1	1683218933	ZQZWFLUOGMZBBF-UHFFFAOYSA-N	351.204	2.286	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1[C@H]2CC[C@H]21	2136244925	PQUZNBIQYCTPSY-RSUWNVLCSA-N	362.426	2.058	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@](C)(O)[C@@H](N)c1ccccc1O	1920086214	MXCCYKGOQXVMQU-AXHNFQJDSA-N	366.458	2.169	10	10	FECE	
CNCc1ccc(N(C)CCS(=O)(=O)C(C)C)c(Br)c1	2170444021	RPJCWSPFMCUFOJ-UHFFFAOYSA-N	363.321	2.428	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2OCCN(C(=O)Nc3ccc(N)cc3)[C@@H]2C1	2106695405	XMTGFDLSCMQTLO-HUUCEWRRSA-N	362.430	2.121	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)N1CC[C@@H](N=[N+]=[N-])C1)C[C@H]1CCCO1	2259729969	PJWPSDZDWKXOPC-CHWSQXEVSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NCc3ccc(O)c(O)c3)CO[C@@H]1C2	2312836582	UUIOVMRRMUEGBX-DWQUBVKVSA-N	350.415	2.012	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NCc3ccc(O)cc3O)C[C@@H]21	2342939846	NTOGMLQYQZDLDC-JLJPHGGASA-N	364.442	2.354	10	10	FECE	
CN(C)c1ccc(CNC(=O)N[C@H]2CCCN(c3ncccn3)C2)cc1	43862426	HZVDUCZNLWBDJN-INIZCTEOSA-N	354.458	2.011	10	10	FECE	
Cc1nnc(SCCC(=O)NCc2cccc(Br)c2O)[nH]1	277402529	BLFZLOPLIKFTSD-UHFFFAOYSA-N	371.260	2.380	10	10	FECE	
O=C1C[C@@H]([C@@H]2CCCCN2C(=O)NCc2ccc(N3CCCC3)cc2)CN1	367059248	CWTJFZORRALOIR-MJGOQNOKSA-N	370.497	2.487	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)c1ccc2nc(O)[nH]c2n1	804734454	LRBWMBMSUMOPJP-UHFFFAOYSA-N	363.171	2.062	10	10	FECE	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)c1	818360385	MGIJWZULRFXUNA-AVRGHOLYSA-N	362.426	2.449	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CC2(C1)CC2(F)F	823519112	GHSIBJWRNANOFG-UHFFFAOYSA-N	351.397	2.198	10	10	FECE	
COc1ccc(O)c(CNC(=O)[C@H](C[C@@H]2COCCO2)C(F)(F)F)c1	830544101	LYCWQCHWPPUKQV-OLZOCXBDSA-N	363.332	2.001	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCc3nnn(C)c3C2)cc1	914255097	XOOZWHUEXQCXSF-OAHLLOKOSA-N	356.474	2.018	10	10	FECE	
C[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C(C)(C)C	846741709	DKZFUSNNYUSIJO-GDBMZVCRSA-N	362.470	2.451	10	10	FECE	
O=C(O)c1ccnc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	911096436	MMRAVFVUJBNJLZ-OAHLLOKOSA-N	356.378	2.307	10	10	FECE	
COC1CCN(c2ccc(CN3C[C@H](C)N(CCO)C[C@@H]3C)cc2)CC1	842164052	UGSHOUVORWSLRN-ROUUACIJSA-N	361.530	2.189	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)CCc3ccccc3C(N)=O)C2)cc1	855225400	MSXXZKDWOAORNL-MRXNPFEDSA-N	367.449	2.122	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCN(C3CC3)C(=O)C2)c1	859869126	IPGBFJDIVQDTKQ-UHFFFAOYSA-N	365.433	2.353	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](N)c3ccccc3)C2)cc1	851665049	PBIRAPLTORRSDQ-QFBILLFUSA-N	354.454	2.273	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(CCN)cc3)C2)cc1	851661862	QHSSURHLFFNGAJ-SFHVURJKSA-N	368.481	2.275	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCN(C(C)C)C3)C2)cc1	852186846	IPIOSNRVYIGXOV-SJORKVTESA-N	360.502	2.303	10	10	FECE	
C[C@@H]1C[C@H]1c1noc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n1	865894487	MVBYFAWOINCOTK-CZUORRHYSA-N	356.426	2.302	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N2CCCSC[C@@H]2C2CC2)cc1	1119668690	WOHFJWYVYNWYBW-QGZVFWFLSA-N	361.511	2.113	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCCC12OCCO2	773977759	JJETVSJNQFEKBW-LJQANCHMSA-N	374.481	2.055	10	10	FECE	
O=C(CCNC(=O)N1CCc2ccccc2C1)N1Cc2cccc(O)c2C1	871202235	AYPZHYWNMYDJHD-UHFFFAOYSA-N	365.433	2.392	10	10	FECE	
COC(=O)C(C)(C)N1CCN(Cc2cccc(Br)c2O)CC1	779191591	RTFNRHUVIPBRPQ-UHFFFAOYSA-N	371.275	2.224	10	10	FECE	
CSc1c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cnn1C	790655463	LDNVDDWTBOSVDB-UHFFFAOYSA-N	374.510	2.281	10	10	FECE	
CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)Cc2ccc(O)c(O)c2)C1	1154768941	BTUAJCULZXXTRU-JSGCOSHPSA-N	350.415	2.014	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)NCC[C@H]1CC1(F)F	1329541031	SROFNHPPTASGHJ-ZFWWWQNUSA-N	367.440	2.270	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCc1ccc(F)nc1Br	1178704203	QWYDODCSZCZEIA-UHFFFAOYSA-N	355.163	2.253	10	10	FECE	
Cc1cc(CC(=O)N2CC[C@H](c3nn[nH]n3)C2)c(C)n1-c1ccccc1	1349003190	TXKSEZGSHCKTEK-HNNXBMFYSA-N	350.426	2.166	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)NCC[C@@H]1CC[C@@H]2C[C@H]12	1351258113	FRINOXGOSFFSLE-YNEHKIRRSA-N	353.513	2.294	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3ccc(O)c(O)c3)[C@H]2C1	2118175826	LVUFWUAFMSFMAE-MELADBBJSA-N	362.426	2.473	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2cc(O)nc(O)n2)c1	1452346747	JKHSOGXDMPBLRV-UHFFFAOYSA-N	366.377	2.038	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CC1(C(=O)OCC)CCOCC1	1467841229	UBUMOHXYQUJODC-UHFFFAOYSA-N	370.442	2.244	10	10	FECE	
COC(=O)[C@H]1C[C@@H](O)CN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1	1469816284	ZYSQHMKQZFKUHZ-DLBZAZTESA-N	370.449	2.399	10	10	FECE	
Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N(C)Cc1ccccc1O	1622312715	XVJAOGZJELSCBC-UHFFFAOYSA-N	362.451	2.223	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)c1nnn2cc(C)nc(O)c12	1639522123	IQECBKBRCJPNTB-UHFFFAOYSA-N	355.398	2.286	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](CC)N1CCO[C@H](CC)C1	1568738057	YGOACBPRCLFGKK-HUUCEWRRSA-N	355.475	2.384	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)c1cc2c(nc1O)CCC[C@H]2O	1639624907	OUWVBCAHWZRODU-MRXNPFEDSA-N	365.389	2.341	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H](N3CCOCC3)CC2)cc1	1635244326	DAEJOFNHLSYHDT-INIZCTEOSA-N	359.430	2.176	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1CCCCN1CCC[C@@H]1CO	1751881142	JAMUPXBRPCMETD-GOSISDBHSA-N	373.501	2.165	10	10	FECE	
C[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CC[C@@H]1NC(=O)OC(C)(C)C	2132392842	MWSOPZXPFGGBLT-PWSUYJOCSA-N	366.414	2.179	10	10	FECE	
COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NCc2cccc(C)c2O)C1	1967838998	HEQDSTSWIPHFDI-QUWSVYMGSA-N	364.442	2.389	10	10	FECE	
CN[C@H](c1ccccc1O)[C@@](C)(O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	1921958824	ARVVXQHRKBEWKC-FCEWJHQRSA-N	366.458	2.040	10	10	FECE	
C[C@@H](N)c1ccc(N(C)[C@H]2CS(=O)(=O)C2(C)C)cc1Br	2153850489	ZYTRDIIPCNQOIL-RNCFNFMXSA-N	361.305	2.481	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNCc2cccc(Cl)c2O)C1	702821628	ZFQXONUYYLIPAX-TZMCWYRMSA-N	356.850	2.363	10	10	FECE	
C[C@@H](NCC1(O)CC(NC(=O)OC(C)(C)C)C1)c1c(O)cccc1O	2045138980	DVCVVPJOLPMRLU-VQQRXRCHSA-N	352.431	2.167	10	10	FECE	
C[C@H](NC(=O)[C@@H](O)C(C)(C)NC(=O)OC(C)(C)C)c1ccccc1O	2072475296	DZEHKZOXGFBIBQ-SMDDNHRTSA-N	352.431	2.234	10	10	FECE	
COc1cc(N)c(N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C)cc1OC	2106844298	QXAKIBMGQOXJJA-MWLCHTKSSA-N	361.364	2.322	10	10	FECE	
Cn1ncc(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])c1CNC(=O)OC(C)(C)C	2225795570	OWFQGEKXCNIEGE-NEPJUHHUSA-N	363.422	2.406	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2253542457	BUGMRDHRBWWNOS-JHJVBQTASA-N	353.423	2.048	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(CC(=O)Nc1ccc(N)cc1)C2	2272657568	PGXILZIRSYHYMM-DJJJIMSYSA-N	360.458	2.054	10	10	FECE	
CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NCCCN1CCOCC1	2294474437	VZSNWXDRSJKKIM-UHFFFAOYSA-N	360.433	2.134	10	10	FECE	
CSc1ncc(CN[C@]2(C(=O)O)CN(C(=O)OC(C)(C)C)[C@H]2C)s1	2306501192	QGGZTIDACJHIMT-BJOHPYRUSA-N	373.500	2.417	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)COc2ccc(N)cc2)[C@@H]2C[C@@H]21	2330837168	UTCUFDDTFAAHDB-XHSDSOJGSA-N	361.442	2.162	10	10	FECE	
CN(NCc1cc(Cl)cc(Br)c1O)S(=O)(=O)C1CC1	2339718385	ZHPMSHXZSITXMH-UHFFFAOYSA-N	369.668	2.237	10	10	FECE	
CCOc1nn(CC)cc1C(=O)N1CCN(c2ccc(OC)cc2)CC1	8842377	JXFLCSRIJNYKEI-UHFFFAOYSA-N	358.442	2.273	10	10	FECE	
CN(C)c1ccc(CNC(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1F	69426250	LHICHXUBIIPSNF-KRWDZBQOSA-N	370.428	2.496	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCCC[C@H]1CO	175974329	VWUJIKSDKQJMAF-RDJZCZTQSA-N	365.449	2.013	10	10	FECE	
C[C@H](NC=C1C(=O)N(C)C(=O)N(C)C1=O)c1ccccc1Br	60864645	SOLUVQKHNROLID-VIFPVBQESA-N	366.215	2.034	10	10	FECE	
COc1cc(N2CCN([C@H]3CCCC[C@H]3O)CC2)cc(OC)c1OC	183696072	JJHYOBPZHTVFRJ-JKSUJKDBSA-N	350.459	2.138	10	10	FECE	
C[C@H](N[C@H](C)CCN1CCN(C)CC1)c1ccc(N2CCC(O)CC2)cc1	186588544	GUMZPJJRBCSHLM-MOPGFXCFSA-N	374.573	2.324	10	10	FECE	
COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCc1ccc(N(C)C)cc1	289563278	SWNMHNDOBNGSTM-UHFFFAOYSA-N	366.439	2.228	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)N[C@H](C)[C@@H](C)OC)cc2F)CC1	291038213	ULJNZUHTEFONKX-HUUCEWRRSA-N	366.481	2.190	10	10	FECE	
Cc1nn(C)c(C)c1C(=O)C(=O)NCc1cc(Br)ccc1O	804737976	XSUVRHSZPWQLCQ-UHFFFAOYSA-N	366.215	2.004	10	10	FECE	
O=C(N[C@H]1CCN(c2ncccc2Cl)C1)c1c(F)ccc(O)c1O	826870256	LJFXPXGDNLLTOQ-VIFPVBQESA-N	351.765	2.294	10	10	FECE	
COc1cccc(O)c1CN[C@@H]1COC2(C1)CN(C(=O)OC(C)(C)C)C2	827066195	PMRXPSKTBKVVMF-ZDUSSCGKSA-N	364.442	2.269	10	10	FECE	
COCCC1CN(C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1	828014138	VFNPREXMHBEBJR-UHFFFAOYSA-N	373.497	2.034	10	10	FECE	
CC[C@@H](C)NC(=O)CN1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1	835026306	UQJNPKFHMNHTNY-HPFMTEOYSA-N	358.530	2.298	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@@H]3C[C@H]3C3CC3)cc2)C1	836660972	DQDQUWRSXJRTPK-AOIWGVFYSA-N	370.497	2.234	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)C3CC4(CSC4)C3)cc2)CC1	924256871	APOSWLCDCXCZJM-UHFFFAOYSA-N	373.522	2.148	10	10	FECE	
C[C@H](NC(=O)Nc1ccc(=O)n(C)c1)c1ccc(N2CCOCC2)cc1	920940841	FMZZVWLWKGOEEU-AWEZNQCLSA-N	356.426	2.105	10	10	FECE	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CC(O)(CO)C2)cc1	854674401	WOXGPIQULYXAOQ-UHFFFAOYSA-N	354.410	2.347	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(CC4CC4)CC3)C2)cc1	851964409	AKCBEYXPOLKUKO-SFHVURJKSA-N	372.513	2.448	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCCN1C[C@@H]2CCCCN2C1=O	852653572	WQUCHGONHMVMFX-SFHVURJKSA-N	373.501	2.184	10	10	FECE	
COc1ccc(N2CCC(NS(=O)(=O)[C@@H]3COC(C)(C)C3)CC2)cc1	858934642	VKKJTSNBOCRVAW-KRWDZBQOSA-N	368.499	2.151	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)NCC1(C(=O)O)CCC1	851654331	YNLVCFSKNQCJGO-UHFFFAOYSA-N	357.204	2.209	10	10	FECE	
CCc1cc(CC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n(C)n1	930742995	ACZVFRSOHHDYLY-HNNXBMFYSA-N	356.470	2.239	10	10	FECE	
CCN(CC)C(=O)[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])c(OC)c1O	774859070	SCOREKRHKYYUGU-AWEZNQCLSA-N	351.403	2.142	10	10	FECE	
C[C@H](NC(=O)C(=O)NC1C[C@H]2[C@H](C1)C2(F)F)c1ccc(N(C)C)cc1	1118631904	QASDJPXWJNEXCP-LKTVYLICSA-N	351.397	2.090	10	10	FECE	
CN(C(=O)c1c(F)ccc(O)c1O)[C@@H]1CCN(c2ccccc2F)C1=O	789979377	FLXAPOCXQSRMDE-CYBMUJFWSA-N	362.332	2.254	10	10	FECE	
CN(C)c1ccc(CN[C@H]2C(=O)NCC23CCOCC3)c(C(F)(F)F)c1	895769187	NWYOHUCPCHYVLM-HNNXBMFYSA-N	371.403	2.156	10	10	FECE	
COCCn1cc(NC(=O)NCc2cc(Br)ccc2O)cn1	794804627	NQAVXQFTVCOEFU-UHFFFAOYSA-N	369.219	2.319	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)NCCCCN=[N+]=[N-])=NO2)C1	1963732000	DVSBHTQYZMGTOS-INIZCTEOSA-N	366.422	2.349	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NC[C@@H]1C[C@H]1C	1321887252	WQPHBTMVIMXVKN-MNOVXSKESA-N	369.259	2.275	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)Nc1ccc(CCN2CCOCC2)cc1	1545003291	JESOMOVQNASCSQ-UHFFFAOYSA-N	356.422	2.154	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](OCCN3CCCC3)C2)cc1	1545532635	SOVPTFKDMLWTSU-MRXNPFEDSA-N	359.430	2.176	10	10	FECE	
C#C[C@@H](C)N(C)c1nnc(C2CC2)n1Cc1ccc(N2CCOCC2)cc1	1705494383	ZELBFDIKNSRQCF-MRXNPFEDSA-N	365.481	2.498	10	10	FECE	
COc1ccc(=O)n(CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)n1	1473017007	ONJZFYNPFMOKII-UHFFFAOYSA-N	356.357	2.076	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@H]3CCOC3(C)C)CC2)c(OC)c1	1635417637	UIUNVBGHPPKVGZ-KRWDZBQOSA-N	363.458	2.103	10	10	FECE	
CCN(CC)c1ccc(Cn2c(C)nnc2N(C)CCCC(=O)NC)cc1	1728381292	LRXXAOYYTQKWDO-UHFFFAOYSA-N	372.517	2.443	10	10	FECE	
O=C(NCc1cccc(O)c1O)c1cnc(OCc2ccccc2)cn1	1637045585	HOCLJFFAWOCZDU-UHFFFAOYSA-N	351.362	2.397	10	10	FECE	
COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H](C)c1ccccc1O	1632246690	LFFRAHUKQURIKY-LLVKDONJSA-N	374.349	2.378	10	10	FECE	
O=C(NCCc1ccc(O)c(O)c1)c1cc(Cl)cc([N+](=O)[O-])c1O	1630334826	HWSNSRYRWBJORU-UHFFFAOYSA-N	352.730	2.338	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3nccn3C(C)C)CC2)c(OC)c1	1648344259	NHCAEWDNVOKDSI-UHFFFAOYSA-N	358.442	2.444	10	10	FECE	
Cc1nnc(N(C)Cc2cnn(C)c2)n1Cc1ccc2c(c1)CCCN2C	1751881379	HIACSSCRLWAJRK-UHFFFAOYSA-N	365.485	2.387	10	10	FECE	
CCn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(N(C)C)c3)ccc21	1871340658	IRUKTQJHURNZIW-UHFFFAOYSA-N	361.423	2.481	10	10	FECE	
Cc1c(OCC(=O)Nc2nccs2)c(=O)ccn1Cc1ccc(N)cc1	1857919913	DBYBSTJJBJKHII-UHFFFAOYSA-N	370.434	2.261	10	10	FECE	
O=C(C[S@](=O)c1cncc(Br)c1)c1ccc(O)c(O)c1	1921686980	IQGVBBXSMQPCAH-FQEVSTJZSA-N	356.197	2.246	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@@H](Cc1nccs1)NC(=O)OC(C)(C)C	2010402709	UXAQZURGWPZJKH-SNVBAGLBSA-N	354.436	2.348	10	10	FECE	
C[C@@H](O)CN(CCNCc1cc(F)cc(F)c1O)C(=O)OC(C)(C)C	708534840	FCFRLVTYZOEFLV-LLVKDONJSA-N	360.401	2.378	10	10	FECE	
COC(=O)C=Cc1ccc(N2CCC(C3OCCO3)CC2)c([N+](=O)[O-])c1	2053552110	UAMHZTDYDVKPDH-UHFFFAOYSA-N	362.382	2.370	10	10	FECE	
CN(c1ccc(CO)cc1Br)[C@@H]1CCCS(=O)(=O)CC1	694191688	PBAAYOKXDKCDKB-GFCCVEGCSA-N	362.289	2.345	10	10	FECE	
CC(C)(C)OC(=O)Nc1[nH]nnc1C(=O)N1CCC(CN=[N+]=[N-])CC1	2060634436	ZQOLARHDZGYZFI-UHFFFAOYSA-N	350.383	2.314	10	10	FECE	
C[C@@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]1C[C@H](N)C1	2112571096	KRYBHWMGCWEBDH-BHPKHCPMSA-N	370.490	2.349	10	10	FECE	
Cc1nc(S(=O)(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])c(Br)n1C	2234175318	BFSLPENXVYPUNI-HTQZYQBOSA-N	363.241	2.001	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)OC[C@@H]2C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2225797077	CYPNQJJYNSGZPQ-BJJPWKGXSA-N	365.434	2.216	10	10	FECE	
Ic1cn(CCNCc2ccc3c(c2)CCO3)cn1	2228812196	KSZPXVRPCSHGGB-UHFFFAOYSA-N	369.206	2.212	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N1CCN(CC(F)(F)C(F)F)CC1	2308001265	QRZNAUCSQFXNCD-UHFFFAOYSA-N	362.323	2.156	10	10	FECE	
Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C(=O)C=Cc1ccc(O)c(O)c1	2309366086	RMZSRXAGPWTUQN-IBGZPJMESA-N	370.380	2.258	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-])C1(O)CCC1	2312334528	ZUNWPCAHFBASBV-WOPDTQHZSA-N	353.423	2.142	10	10	FECE	
COc1cccc(O)c1CNC[C@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1	2330273733	COOVHWNOJYIXCZ-XNRPHZJLSA-N	366.458	2.155	10	10	FECE	
C[C@H]1C[C@@](O)([C@@H](N)c2ccc3c(c2)CCN3C)CN1C(=O)OC(C)(C)C	2336904304	HSOUUDQIBIWJEP-ROOHIHILSA-N	361.486	2.439	10	10	FECE	
O=C1N=C(O)/C(=C/NCc2cccnc2)C(=O)N1Cc1ccc(F)cc1	102536999	XBHAJTLIIXMJMW-GDNBJRDFSA-N	354.341	2.313	10	10	FECE	
COc1ccc(CNCCN(C[C@@H](C)O)C(=O)OC(C)(C)C)c(O)c1	305886709	LKQDBLLZQMJTCR-CYBMUJFWSA-N	354.447	2.108	10	10	FECE	
Cc1cc(/C=C/C(=O)NCC(=O)N2CCOCC2)c(C)n1-c1ccccc1	181411406	PFFJYQMOTFEYBN-CMDGGOBGSA-N	367.449	2.082	10	10	FECE	
CC[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CCN1C[C@H](C)O	248452827	KSBBGYBKNVUVDB-QFBILLFUSA-N	374.529	2.056	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1CCC(=O)Nc1ccc(N)cc1	2162934615	RLJAEMPEKVCSCR-BXUZGUMPSA-N	372.391	2.129	10	10	FECE	
COCCOC[C@H](C)NC(=O)NCc1cc(Br)ccc1O	805189003	MGBRBVOCOPTZMJ-JTQLQIEISA-N	361.236	2.005	10	10	FECE	
COc1ccc(O)c(CN[C@@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)c1	2133756595	XXTPXVQJLBTPSF-IBGZPJMESA-N	366.458	2.252	10	10	FECE	
CC[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCO1	817154780	PGZLYQPEZNGLJX-CVEARBPZSA-N	365.449	2.419	10	10	FECE	
COC(=O)[C@@H]1CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1	728195924	LVMMVTKGFNIKGC-CQSZACIVSA-N	355.390	2.324	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)N[C@H]3CCc4nc[nH]c4C3)C2)cc1	823629424	UZBQUSLWKIERAO-GJZGRUSLSA-N	369.469	2.101	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Nc3nc4ccccn4n3)C2)cc1	822440203	GCXMTBAHXDQWCZ-ZDUSSCGKSA-N	352.398	2.138	10	10	FECE	
C[C@@H](NC(=O)N1CC[C@H](Nc2ncccn2)C1)c1ccc(N(C)C)cc1	826532876	YSCXOJGDXVLBEA-ZBFHGGJFSA-N	354.458	2.500	10	10	FECE	
CCOC(=O)C[C@H](CO)NC(=O)c1sccc1-n1c(C)ccc1C	820053839	FTQGRGKXJFWQPV-CYBMUJFWSA-N	350.440	2.200	10	10	FECE	
CCN1C(=O)[C@H]2CC3(CCN(Cc4cccc(F)c4O)CC3)CN2C1=O	581803425	LNBWDAZGQBWPKD-OAHLLOKOSA-N	361.417	2.170	10	10	FECE	
C[C@H](NCC(C)(C)[C@]1(O)CCOC1)c1ccc(N2CCOCC2)c(F)c1	842919200	JMUBTLKHYOEYEM-YWZLYKJASA-N	366.477	2.491	10	10	FECE	
COc1ccc(N2CC[C@H](N3C(=O)N[C@@H](c4cccc(O)c4)C3=O)C2)cc1	849356937	ICRFOXQPUMFDGS-YJBOKZPZSA-N	367.405	2.273	10	10	FECE	
Cc1cc(O)c(CN2CCC(c3nnc4n3CCNC4)CC2)c(Cl)c1	843118182	BNHIRRVMRLAKDK-UHFFFAOYSA-N	361.877	2.428	10	10	FECE	
COCC1(CNC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)CC1	847422054	RKZOWKOCCOIVHS-UHFFFAOYSA-N	351.422	2.093	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@H]1CN(C2CC2)C(=O)O1	844307068	NMQMWWQQOKHGMJ-AWEZNQCLSA-N	368.817	2.004	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)c3cnn(C(C)C)c3)C2)cc1	849416376	QFRYIVZDMUPWKF-CQSZACIVSA-N	364.471	2.030	10	10	FECE	
C[C@H](NC(=O)COC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1O	827972927	DIMOOMPJHYFHQC-LBPRGKRZSA-N	350.415	2.205	10	10	FECE	
O=C(NCc1cc(NC(=O)[C@H]2CCCCO2)ccc1O)[C@H]1CCCCO1	923121799	LBJJHBVWAUKXOD-IAGOWNOFSA-N	362.426	2.085	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1	926642119	GXQDJMVKNMBEEH-NEWSRXKRSA-N	361.486	2.478	10	10	FECE	
C[C@@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1nnc(O)n1C	926134499	PIVVSBSUTGXENL-CQSZACIVSA-N	372.473	2.414	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cc(OC(F)F)n(C)n3)C2)cc1	855226042	NBZSCICWLSIOCK-LLVKDONJSA-N	366.368	2.039	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3Cc4cccc(O)c4C3)C2)cc1	854020771	MVXNBMUHMKDARL-HOTGVXAUSA-N	367.449	2.446	10	10	FECE	
CN(C)c1noc(-c2cc(NS(=O)(=O)c3cccs3)ccc2O)n1	758289013	GHCIZYNVBUBPLQ-UHFFFAOYSA-N	366.424	2.371	10	10	FECE	
O=C(NCc1c(O)cccc1F)[C@@H]1CCCN1C(=O)Cc1cccs1	928710343	BWWCDDCPXNQKCZ-HNNXBMFYSA-N	362.426	2.443	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)[C@@H]1CCCc2nn[nH]c21	854442134	HTMZTXPTHURGNA-SNVBAGLBSA-N	351.204	2.009	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21	935944869	BGLUKQWYRNGGRJ-BFHYXJOUSA-N	351.443	2.189	10	10	FECE	
COC(=O)c1coc(/C=C/C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	869227954	DRESHVFJRMXCDZ-KIUWMYQTSA-N	370.405	2.483	10	10	FECE	
CCC(=O)c1ccc(N2Cc3cccc(O)c3C2)c(S(=O)(=O)NC)c1	866116710	BPBBJMVRGVHNCB-UHFFFAOYSA-N	360.435	2.413	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1n[nH]cc1C(F)(F)F	864932093	RZZGJPQZMUDYSY-UHFFFAOYSA-N	372.322	2.334	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(Br)n[nH]1	791372549	DSYHPWJTEOCRLR-UHFFFAOYSA-N	351.204	2.277	10	10	FECE	
Cn1ncc(Br)c1CC(=O)NCc1cc(Cl)ccc1O	1146233220	RBZUXXGILMNFQX-UHFFFAOYSA-N	358.623	2.401	10	10	FECE	
COc1ccccc1[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1noc(C)n1	1147125284	JPWCNSVFGMGVCR-SFHVURJKSA-N	369.377	2.246	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N2CCC(C3CCOCC3)CC2)cc1	1261455321	IRDKYTPDUABZMY-UHFFFAOYSA-N	373.497	2.034	10	10	FECE	
CS(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2O)c(Cl)c1	1465990517	MDYZGRKAABBTRH-UHFFFAOYSA-N	354.815	2.347	10	10	FECE	
CC[C@@H]1COCCN1CCNC(=O)c1cc(C)n(-c2ccccn2)c1C	1471721332	OLDPILYDMLJDNJ-QGZVFWFLSA-N	356.470	2.330	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@H]1CCC(=O)N(c2cccc(F)c2)C1	1637126243	POJXHQXIUSJPPM-LBPRGKRZSA-N	358.369	2.296	10	10	FECE	
Cn1nccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2124517141	YJWMSCWDVYRWCJ-YPMHNXCESA-N	363.422	2.287	10	10	FECE	
CC(C)(C)OC(=O)NC1CN(CC(=O)N2CCCC[C@H](CN=[N+]=[N-])C2)C1	2124502578	ALPSVWJWDXILJY-CYBMUJFWSA-N	366.466	2.134	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2124502563	ADCIEUDLKFNQSU-SUMWQHHRSA-N	367.450	2.297	10	10	FECE	
CCn1cnnc1Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1O	1766978816	DZMGADXZIYQCJM-UHFFFAOYSA-N	367.457	2.232	10	10	FECE	
CCOC(=O)[C@H](F)C1CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1	1772942568	ZKOAJFQHINYYKZ-GMNBZTITSA-N	366.345	2.118	10	10	FECE	
CSc1cc(O)ccc1NS(=O)(=O)c1ccc2nc(O)[nH]c2c1	1858059803	MPEWKSMBYXJUNF-UHFFFAOYSA-N	351.409	2.497	10	10	FECE	
Cc1cc(=O)c(OCCCC(=O)O)cn1CCCOc1ccc(N)cc1	1857916964	VSSJFVQHFVARBR-UHFFFAOYSA-N	360.410	2.452	10	10	FECE	
C[C@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2cccc(O)c2O)C1	1973749318	WJMKZHHJWWOFJI-UWVGGRQHSA-N	360.332	2.017	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NCc1cc2c(cc1O)OCO2	721943678	RZUIOPMQYHJRFX-AAEUAGOBSA-N	350.415	2.466	10	10	FECE	
CN(C)c1ccc(CNCC2=NO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)cc1	2183633655	RYOJIHXPSYFBKV-SJLPKXTDSA-N	374.485	2.464	10	10	FECE	
CN(CCNC(=O)OC(C)(C)C)CC(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2060639470	IIGSIKKRVHKWHJ-CYBMUJFWSA-N	354.455	2.134	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060619232	KOLQMQUFFNFCJP-AVGNSLFASA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)NCC1(CN=[N+]=[N-])CC1	2060632482	BMHXOMXIFMUFEA-ABAIWWIYSA-N	353.423	2.123	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@]12COC[C@H]1CN(C(=O)OC(C)(C)C)C2	2060639926	NMVSHYFFYYBWIL-MLGOLLRUSA-N	353.423	2.029	10	10	FECE	
CN(CC(=O)Nc1ccc(N)cc1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1	2106768319	VPBAJYFXQLLKOX-CQSZACIVSA-N	362.474	2.396	10	10	FECE	
COC(=O)[C@H](CCN[C@@H](C)c1cc(O)ccc1O)NC(=O)OC(C)(C)C	2088543153	PFEZQAVMUXTVBZ-FZMZJTMJSA-N	368.430	2.205	10	10	FECE	
CN1CC[C@@H]2[C@@H](CCCN2C(=O)C=Cc2ccc(N3CCOCC3)cc2)C1	2301553469	SYFRBVSCXOUCRD-PZJWPPBQSA-N	369.509	2.479	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N[C@@H]1CCN(c2ccccc2F)C1=O	2307987156	HUIYJCPZCONDJI-CQSZACIVSA-N	356.353	2.172	10	10	FECE	
CN1C[C@H](COC(=O)CCn2c3c(c4ccccc42)CCCC3)OCC1=O	1848843410	ZPFGTVGLMOUNJX-OAHLLOKOSA-N	370.449	2.311	10	10	FECE	
CN(C)c1ccc(CNS(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1	177331910	BENDDZLTXUPDPW-UHFFFAOYSA-N	353.375	2.278	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)c1ccc2ncc([N+](=O)[O-])n2n1	301908736	FGOVOWGNLHRTOW-UHFFFAOYSA-N	368.397	2.111	10	10	FECE	
CC(=O)N[C@H]1CCCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1	76919168	WVUXJWUZVDYEQP-INIZCTEOSA-N	368.433	2.429	10	10	FECE	
COc1ccc(O)cc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	187728918	KJBUMCUFZVFMNO-UHFFFAOYSA-N	374.412	2.431	10	10	FECE	
Cc1cc(CNC(=O)NCc2c(O)ccc3c2CCCC3)nc(N(C)C)n1	191645009	UQNRUHCNRAQGRI-UHFFFAOYSA-N	369.469	2.435	10	10	FECE	
Nc1ccc(CNS(=O)(=O)c2nc(F)ccc2Br)cc1	2368245760	UZIDPHKZEMNRPU-UHFFFAOYSA-N	360.208	2.044	10	10	FECE	
C[C@@H](NC[C@@]1(CO)COCC2(CCC2)N1C)c1ccc(Cl)cc1O	527946470	DSSZUXGZICWNCF-FZKQIMNGSA-N	354.878	2.312	10	10	FECE	
Nc1ccc(CCNC(=O)[C@@H]2CC[C@@H](C(=O)O)N2Cc2ccccc2)cc1	2162221123	LMJAYRAQMZDJOR-OALUTQOASA-N	367.449	2.045	10	10	FECE	
C[C@H](NC(=O)C(=O)N1CCC[C@]2(CCCOC2)C1)c1ccc(N(C)C)cc1	807677761	SLHUYQKVMDGCQM-KKSFZXQISA-N	373.497	2.349	10	10	FECE	
COCc1n[nH]c(CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1	821170483	JMLDVFXDMUALQZ-UHFFFAOYSA-N	360.462	2.137	10	10	FECE	
COc1nccnc1CNCc1ccc(N2CCN(CC3CC3)CC2)cc1	824037074	ABCUYXWLRSYTRJ-UHFFFAOYSA-N	367.497	2.307	10	10	FECE	
CN1CCCc2cc(CNC(=O)c3coc4c3C(=O)NCCC4)ccc21	906455979	WBXWYJKFIMZKPK-UHFFFAOYSA-N	353.422	2.268	10	10	FECE	
C/C(=C/C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)CN1CCOCC1	901177833	VZMIUZBZGIIGMA-LYDJUCFBSA-N	374.481	2.178	10	10	FECE	
CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)/C(C)=C/c1cccnc1)CC2	847523002	IQONFXCNNDMZDY-SDNWHVSQSA-N	371.462	2.372	10	10	FECE	
Cn1cc(N2CCC[C@@H](NC(=O)NCc3cc(Cl)ccc3O)C2)cn1	845014680	YOGQENNOORXCOU-CQSZACIVSA-N	363.849	2.247	10	10	FECE	
C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(N)cc2)CCc2ccccc21	846345852	ZHFKSZYUMMLLJB-OAHLLOKOSA-N	351.450	2.116	10	10	FECE	
O=C(COc1ccc(N2CCCC2=O)cc1)NCc1c(O)cccc1F	928709580	JRAAAZJPZOKKQB-UHFFFAOYSA-N	358.369	2.353	10	10	FECE	
COC(=O)c1cccc2c1CN(Cc1cc3c(cc1O)OC[C@@H]3O)CC2	842637391	MGERCZBFCSRUKP-SFHVURJKSA-N	355.390	2.163	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)CNc3ccccc3[N+](=O)[O-])C2)cc1	855229681	LGHWFZCYBHZOHY-AWEZNQCLSA-N	370.409	2.410	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)OC[C@@H]2C[C@H]3[C@@H](C2)C3(F)F)c1	922377626	DMBVGTBFUXNVLS-ZSPDNNCOSA-N	361.366	2.212	10	10	FECE	
CCOC(=O)[C@@]1(F)CN(C(=O)c2c(F)ccc(O)c2O)CC12CCC2	857302016	CYYWPOODDXCDEM-KRWDZBQOSA-N	355.337	2.134	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@H]4COC[C@@H]4C3)C2)cc1	852386936	NMLREMICPBIPGU-IKGGRYGDSA-N	359.470	2.199	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)/C=C/COC2CCOCC2)cc1	869142763	MLHJIALAHGQPKL-SNAWJCMRSA-N	362.470	2.342	10	10	FECE	
COc1ccc(CNC(=O)NC[C@H]2CC(=O)c3ccccc3O2)c(O)c1	869088774	ZNURBKVCLQOTQV-CQSZACIVSA-N	356.378	2.234	10	10	FECE	
CCOCn1nc(C)c(C[C@@H](C)C(=O)NCc2ccc(O)c(O)c2)c1C	866769757	OZQTVQFXUQTMCP-GFCCVEGCSA-N	361.442	2.400	10	10	FECE	
CC[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCCOC1	872036055	RSEXSTIAYHGYBP-HKUYNNGSSA-N	366.527	2.216	10	10	FECE	
CCc1nc(CN2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)cs1	1142202188	OAOHONFHPZQHMU-UHFFFAOYSA-N	361.467	2.004	10	10	FECE	
CN(C)c1ccc(CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C2CC2)cc1	1345589046	RVIVXUAYWIOIFJ-UHFFFAOYSA-N	362.495	2.068	10	10	FECE	
COc1cc(NCCCNC(=O)c2cc3cc(O)c(O)cc3s2)ncn1	1469301263	CWPJHBBWXQNRAV-UHFFFAOYSA-N	374.422	2.343	10	10	FECE	
Cc1cn2nnc(C(=O)N(C)Cc3ccc(N4CCCC4)cc3)c2c(O)n1	1624629807	CUROGMTWKCAGIU-UHFFFAOYSA-N	366.425	2.011	10	10	FECE	
C[C@@H](NCc1ccc2c(c1)CCN2C)C1(O)CN(C(=O)OC(C)(C)C)C1	1918700212	BQNXIMWUOWXTFF-CQSZACIVSA-N	361.486	2.139	10	10	FECE	
CN(C)c1ccc(CNC(=O)CC[C@@H](O)CNC(=O)OC(C)(C)C)cc1	2136307229	GFBSRRIKDICIFS-MRXNPFEDSA-N	365.474	2.035	10	10	FECE	
O=C(N[C@@H]1[C@H]2C[C@H]1N(C(=O)c1ccc(O)c(O)c1)C2)OCc1ccccc1	2006277873	HAJQBRXNCAMMNI-HDMKZQKVSA-N	368.389	2.237	10	10	FECE	
C[C@H](NCCC1(O)CN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1O	2027288068	CNQGBBPTFXQXLS-LBPRGKRZSA-N	352.431	2.120	10	10	FECE	
COc1cc(N)c(N2C[C@H]3CC[C@H]2[C@@H](NC(=O)C(F)(F)F)C3)cc1OC	2163160780	PQUXZOIIVAZCFW-DLOVCJGASA-N	373.375	2.322	10	10	FECE	
CS(=O)(=O)CCN(c1cc(Br)c(CN)cc1F)C1CC1	2170175976	PKIZZAXHOBGACF-UHFFFAOYSA-N	365.268	2.060	10	10	FECE	
O=C(O)C1(O)CCN(Cc2cc(Cl)cc(Br)c2O)CC1	2197433815	LWGMAZLOHHVBCG-UHFFFAOYSA-N	364.623	2.220	10	10	FECE	
C[C@@H](CCNC(=O)OC(C)(C)C)N(C)C(=O)COc1ccc(N)cc1	2044646477	QCWGAYQMRIJVJJ-ZDUSSCGKSA-N	351.447	2.409	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(O)c(O)c2)[C@@H](F)C1	2054399761	VQFLEAHQIYEUCB-RYUDHWBXSA-N	354.378	2.175	10	10	FECE	
CO[C@@]1(C(=O)N2CCC(N=[N+]=[N-])CC2)CCN(C(=O)OC(C)(C)C)C1	2060617454	NPFHMTPVYMIXNB-INIZCTEOSA-N	353.423	2.314	10	10	FECE	
CN(C(=O)C1=C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1F	2080946596	MOVJYXAGRLYIFV-ZFWWWQNUSA-N	350.390	2.373	10	10	FECE	
Cc1cccc(CNC(=O)CCOCCNC(=O)OC(C)(C)C)c1O	2084062898	ISGNRDGYFGTJPS-UHFFFAOYSA-N	352.431	2.248	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)COc1ccc(N)cc1	2106227923	HFEKSKNSAMXSQO-ZIAGYGMSSA-N	363.458	2.267	10	10	FECE	
CC(C)(C)OC(=O)N1CC(n2cnc(C(=O)NCCCCN=[N+]=[N-])c2)C1	2225242230	XGMVEWUEPHYLSG-UHFFFAOYSA-N	363.422	2.495	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(c1cc3c(cc1N)OCCO3)C2	2272653956	AZJYWKPJKPWGRX-BLVKFPJESA-N	361.442	2.391	10	10	FECE	
C[C@@H](N[C@@H]1COC[C@H]1CNC(=O)OC(C)(C)C)c1cc(O)ccc1O	2308389641	CHASDIXYYHTPGI-LALPHHSUSA-N	352.431	2.288	10	10	FECE	
C[C@@H](NC(=O)C1=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O	2332173210	QYAJSZKCUMPYOO-DIOULYMOSA-N	362.426	2.154	10	10	FECE	
CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CCN(c2ccccc2)C1=O	180769244	LAEFQKOOOWOJSJ-DZZUKKPASA-N	352.390	2.375	10	10	FECE	
COCCN1[C@H](C)CN(C(=O)NCCCSc2nccs2)C[C@H]1C	130864381	CTURHYWZQMIAQW-ZIAGYGMSSA-N	372.560	2.376	10	10	FECE	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@H](O)c2ccccn2)cc1	279149492	FCAJFOUWKVOTDT-UYAOXDASSA-N	369.465	2.389	10	10	FECE	
Cc1ccc(CNC(=O)[C@@](C)(N)CC(F)F)c(O)c1Br	2380749454	OYEPOXAPQGISQY-ZDUSSCGKSA-N	351.191	2.452	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@H]2CCC(=O)NC2)C1	809018243	UMQUJIDCUDQBRI-HNNXBMFYSA-N	369.465	2.230	10	10	FECE	
COc1ccc(C(=O)Nc2ccccc2C(=O)OCC(=O)C(C)=O)cc1	808494183	AAHSAJLAOZZNTN-UHFFFAOYSA-N	355.346	2.262	10	10	FECE	
COc1ccc(N2CCC(NC(=O)Nc3nnc(OC)s3)CC2)cc1	801746673	ABMFGFAUEBZDTR-UHFFFAOYSA-N	363.443	2.346	10	10	FECE	
NC(=O)C1CCC(NC(=O)c2csc(Cc3ccc(N)cc3)n2)CC1	817937849	YUEVDQIIJHSDLY-UHFFFAOYSA-N	358.467	2.090	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)N3CC4(CN(C)C(=O)O4)C3)ccc21	817654358	RSTAOQPHWGEXRX-UHFFFAOYSA-N	371.437	2.181	10	10	FECE	
C[C@H](N)[C@@H]1COCC[C@H]1NCc1ccc(N2CCN(CC3CC3)CC2)cc1	817918511	ZWSWOTMOPDKALP-BULFRSBZSA-N	372.557	2.061	10	10	FECE	
CN(C)c1ccc(CNC(=O)NCC(=O)NC2CCCCC2)cc1F	726250454	WQGUXWMZAGHCPA-UHFFFAOYSA-N	350.438	2.140	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N(C)Cc3cnn(C)c3C)C2)cc1	823733411	NDVZTZDWTNBFKK-MRXNPFEDSA-N	371.485	2.405	10	10	FECE	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)/C=C/Cn2cncn2)cc1	912108732	COQHIFFSDOBKQL-ONEGZZNKSA-N	367.375	2.491	10	10	FECE	
COc1cc(O)c(CN2CCCC[C@@H]2[C@H]2C[C@@H](N)CCO2)cc1OC	844911568	PAWCCOQVKJTRJY-ZMSDIMECSA-N	350.459	2.270	10	10	FECE	
C[C@H](NC(=O)N1CCOC[C@@H]1c1ccnn1C)c1ccc(N(C)C)cc1	845126119	WJDXLXJRITYJNQ-KBXCAEBGSA-N	357.458	2.330	10	10	FECE	
C[C@@]1(C(=O)Nc2ccc(O)c(CNC(=O)[C@@]3(C)CCCO3)c2)CCCO1	923119554	LWOZILQUHRURKA-MOPGFXCFSA-N	362.426	2.085	10	10	FECE	
O=C(Cn1cnc2c1CCCC2)NCc1ccc(N2CCC(O)CC2)cc1	856213043	VJKBKJCHEXAGBK-UHFFFAOYSA-N	368.481	2.039	10	10	FECE	
C[C@H](N[C@H]1CCc2nnn(C)c2C1)c1ccc(Br)cc1O	927147526	SNTOYHBLKLIDJR-ONGXEEELSA-N	351.248	2.491	10	10	FECE	
C[C@@H](NC(=O)/C=C/COC1CCOCC1)c1ccc(N2CCOCC2)cc1	865018175	HLRDLBLIROLKFA-RCAFFNEUSA-N	374.481	2.452	10	10	FECE	
CC[C@@H](COCC1CC1)NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	1118630731	FMXZPFMTTPUVCM-YOEHRIQHSA-N	361.486	2.251	10	10	FECE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	897807489	AGNQFSXYWMLFJY-TWKWOARYSA-N	353.466	2.087	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCc1ccc(O)c(Br)c1	1137446314	PBJNSMLHYVZMRK-UHFFFAOYSA-N	352.184	2.425	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)C1=CCOCC1	793762353	ZTBUDSJNMIUCCI-UHFFFAOYSA-N	355.482	2.182	10	10	FECE	
CCOC1(C(=O)N(C)Cc2ccccc2O)CN(C(=O)OC(C)(C)C)C1	2124135210	XZNWFFPXECTYQC-UHFFFAOYSA-N	364.442	2.377	10	10	FECE	
O=C(c1ccc(O)cc1)C1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1	1631155310	SWEDRMJKODSTDR-UHFFFAOYSA-N	355.390	2.467	10	10	FECE	
Cc1ccc(C(=O)N=c2ccn(C)c(O)n2)cc1-n1c(C)cc(C=O)c1C	1640532312	ZNDSCRRAIGHGNG-UHFFFAOYSA-N	364.405	2.395	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2C[C@@H]2Cc2ccccc2)c1	1648040688	YTVHVFYQHKOQTF-GJZGRUSLSA-N	374.462	2.372	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1	1584184093	OJGUQWUPTDBLTQ-CQSZACIVSA-N	364.442	2.498	10	10	FECE	
CCOc1cccc(/C=C2/SC(=S)N([C@H](C)C(=O)O)C2=O)c1O	1858588457	GTNSKOHWVQQAEM-XAPLUZPNSA-N	353.421	2.465	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@]1(C)CNC(=O)c1cc(O)c(O)c(O)c1	2132392647	KCWJPKKURLXTRP-GOSISDBHSA-N	366.414	2.323	10	10	FECE	
C[C@@H](N)c1ccc(N(C)[C@H]2CS(=O)(=O)C2(C)C)c(Br)c1	2153848604	LEJHABCOUNHBTA-RNCFNFMXSA-N	361.305	2.481	10	10	FECE	
O=C(CCCOCc1ccccc1)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O	2160286563	RCJXXYSJIBRNFF-MRXNPFEDSA-N	373.405	2.207	10	10	FECE	
Nc1ccc(CC(=O)N2CCC[C@@H]3CC[C@@]32CNC(=O)C(F)(F)F)cc1	2162978454	FIFNVEMTZZIFLQ-CXAGYDPISA-N	369.387	2.261	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CC(n4cncn4)C3)ccc(N)c2C1	707402577	RHIHJCVTCQRBQJ-UHFFFAOYSA-N	370.457	2.215	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2060637461	LGQIMYVYPCKFAB-QWHCGFSZSA-N	353.423	2.048	10	10	FECE	
CC(C)(C)OC(=O)NCC[C@H]1CCN(CC(=O)Nc2ccc(N)cc2)C1	2106688066	QOFKGOUKVVWTJD-AWEZNQCLSA-N	362.474	2.444	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CCCOc3ccccc32)=C[C@H]1O	2200998562	LHLFVXCWFSZGHI-GOEBONIOSA-N	374.437	2.386	10	10	FECE	
CCCS(=O)(=O)CCN(C)Cc1cc(Br)ccc1O	2114148276	PZEYECRGXLDQHK-UHFFFAOYSA-N	350.278	2.411	10	10	FECE	
CN(Cc1ccccc1)C(=O)Cn1cc(COc2ccc(N)cc2)nn1	2122753839	OBUYQCNHQLUNTO-UHFFFAOYSA-N	351.410	2.098	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12CO[C@](C(=O)N[C@H]3CCC[C@H]3N=[N+]=[N-])(C1)C2	2225791397	CYOOAGZTFNWUJO-HJSHSUPBSA-N	365.434	2.408	10	10	FECE	
CC(C)(C)OC(=O)NCC1(O)CCN(c2ccc3c(c2)OCCO3)CC1	2226775874	POXPMJJWWWOORI-UHFFFAOYSA-N	364.442	2.314	10	10	FECE	
COC(=O)C=Cc1ccc(N2CCN(CC(C)C)C(=O)C2)c([N+](=O)[O-])c1	2310197245	XTMDDERAKRDSDM-UHFFFAOYSA-N	361.398	2.086	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](O)C[C@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2312333811	BGTKFRMIPRVGOW-RNJOBUHISA-N	353.423	2.094	10	10	FECE	
O=S1(=O)C[C@H]2CN(Cc3cc(Cl)cc(Br)c3O)C[C@@H]21	2336552343	DRJQOLRDBNFYIO-KCJUWKMLSA-N	366.664	2.037	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C)CN(C(=O)c2ccc(O)c(O)c2)CC1(F)F	2336646622	SZIFMGIMEQDVHQ-MRXNPFEDSA-N	372.368	2.472	10	10	FECE	
CN[C@@H](c1ccccc1O)[C@]1(O)C[C@@H](OC)CN(C(=O)OC(C)(C)C)C1	2344425847	YUSFZEUBEPQLKL-AZOIQLNYSA-N	366.458	2.040	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCC(Cc3nccn3C)CC2)cc1	106165357	NMUWZTLBSASUSW-UHFFFAOYSA-N	369.513	2.057	10	10	FECE	
COc1cc(OC)cc(C(=O)NC2=N[C@H](c3ccc(C)cc3)CC(=O)N2)c1	20924280	QXDUZXZXWCCADO-KRWDZBQOSA-N	367.405	2.359	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCCn2ccnc21	174919101	HKGCUOBNRUDMMI-GOSISDBHSA-N	354.454	2.256	10	10	FECE	
CN(Cc1ccccc1O)C(=O)NCc1cnc(N2CCOCC2)c(F)c1	185574274	VLCWFLJNWPWZAL-UHFFFAOYSA-N	374.416	2.105	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N2CCN(C3CC3)c3ccccc32)c1	186872800	XEXKYBLVYDMLBY-RMKNXTFCSA-N	362.433	2.470	10	10	FECE	
COc1ccc(N2CCN(C(=O)N[C@@H]3CCO[C@H](C4CC4)C3)CC2)cc1	130103854	ZAMNUNDRVDGGBZ-APWZRJJASA-N	359.470	2.484	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnc4[nH]nc(C)c4c3)CC2)cc1	47382138	ALVARGKZPUXKDO-UHFFFAOYSA-N	351.410	2.237	10	10	FECE	
COC[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1C)c1ccccc1	804027748	GRIXNSIEOXDRDK-LJQANCHMSA-N	369.465	2.181	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@@H](O)Cc1ccccc1	819697832	DSIDIWGQPSOVLP-SFHVURJKSA-N	371.433	2.278	10	10	FECE	
CC(C)NC(=O)[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	827678108	BZUSYXNOZGMYMK-QGZVFWFLSA-N	363.477	2.399	10	10	FECE	
Cc1cc(CC(=O)N[C@@H](C)CN2CCN(C)CC2)c(C)n1-c1ccccc1	826711965	CNPPMJNFDGXEGI-KRWDZBQOSA-N	368.525	2.389	10	10	FECE	
COc1ccc(-c2csc(NS(=O)(=O)c3ccn(C)n3)n2)cc1	727241740	CTVRWSXEMZISSH-UHFFFAOYSA-N	350.425	2.353	10	10	FECE	
C[C@H]1CCCN(c2ccc(CNC(=O)[C@H](O)C(C)(C)O)cc2Cl)C1	908012050	FXYRMQLRANPFOR-LRDDRELGSA-N	354.878	2.324	10	10	FECE	
N[C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2ccc(N3CCOCC3)cc2)C1	844912402	UDVVRZMSNCQHTD-HMXCVIKNSA-N	359.514	2.384	10	10	FECE	
O=C(CCC(=O)Nc1nnc(C2CC2)o1)NCc1cc(Cl)ccc1O	846473241	RZODQCFKVGRNRF-UHFFFAOYSA-N	364.789	2.341	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2	923337179	NYFSXXYXEJUVJX-QKLQHJQFSA-N	371.481	2.038	10	10	FECE	
CN(C)c1ccc(CN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C2CC2)cc1	858342551	VVCCFXDMTDPEPP-MRXNPFEDSA-N	369.469	2.185	10	10	FECE	
O=C1N=C(N2CCOCC2)S/C1=C\c1ccnn1CCc1ccccc1	857201445	BNCIZDKFIAULLZ-VKAVYKQESA-N	368.462	2.428	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC3=C(CCC(=O)N3)C2)c([N+](=O)[O-])c1	853744960	GLJIFSDLLAGNIK-XVNBXDOJSA-N	357.366	2.155	10	10	FECE	
COc1nn(C)cc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	789316491	COSWBSDGAWVMGE-AWEZNQCLSA-N	360.414	2.347	10	10	FECE	
CCN1CCCC[C@H]1C(=O)N1CCN(c2ccc(OC)cc2OC)CC1	1161706109	JUHHYBIFMXRZQV-SFHVURJKSA-N	361.486	2.227	10	10	FECE	
C[C@H](CNC(=O)OC(C)(C)C)CC(=O)NCCc1ccc(O)c(O)c1	1962947776	BZZNCIJNOMDALI-LBPRGKRZSA-N	352.431	2.307	10	10	FECE	
N[C@@]1(c2nc(-c3ccc(O)c(O)c3)no2)CCN(Cc2ccccc2)C1	692380894	JOZRDKRBIISHFG-IBGZPJMESA-N	352.394	2.208	10	10	FECE	
C[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO)c1cc(O)ccc1O	2116266660	PWJBBMYLSIPEGC-ZENOOKHLSA-N	366.458	2.366	10	10	FECE	
CN1CCc2cc(CN[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)ccc21	2116261187	ITXPEVTUPYTVIS-WMZOPIPTSA-N	361.486	2.139	10	10	FECE	
C[C@H](NC(=O)N[C@@H]1CC[C@H]2CN(C)C[C@@H]21)c1ccc(N2CCOCC2)cc1	1520714490	FSGLGMMHIVWNCV-LWCVALJOSA-N	372.513	2.224	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(F)(C(=O)NCc2ccc(O)c(O)c2)CC1	1631438813	LVYDNOBFTUGKQC-UHFFFAOYSA-N	368.405	2.453	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(NS(C)(=O)=O)cc1	1636058581	IJVFPUJKJFPTTL-UHFFFAOYSA-N	369.439	2.179	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccc(O)cc1O)C1CCC1	1643103626	COZCMJSJRJMHPA-OAHLLOKOSA-N	350.415	2.407	10	10	FECE	
COc1ccc(N2CCCN(c3nc(Cl)nc4[nH]c(O)nc34)CC2)cc1	1642112553	LSTDOWYVDCPFLX-UHFFFAOYSA-N	374.832	2.437	10	10	FECE	
COC(=O)c1cnc(SCCNS(=O)(=O)c2ccccc2)s1	1652854088	WWQGYEPCVSJDRP-UHFFFAOYSA-N	358.466	2.000	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@@H]2CCCOC2)n1CC1(O)CC1	1768681189	FOUSOILWKGEPNZ-OAHLLOKOSA-N	358.442	2.039	10	10	FECE	
O=C(NCc1ccc(N2CCNC2=O)cc1)NCc1c(O)cccc1F	1687431980	IBHHEKMWOFKDTK-UHFFFAOYSA-N	358.373	2.060	10	10	FECE	
COC(=O)c1ccccc1N1C[C@@H](C(=O)Nc2ccc(N)cc2)CC1=O	1865923635	UHGAMDMYHCXQAO-LBPRGKRZSA-N	353.378	2.047	10	10	FECE	
CN1C(=O)Cc2cc([C@@H]3CN(CCOc4ccc(N)cc4)C(=O)O3)ccc21	585908736	ZPWGCXXMBLGWLT-SFHVURJKSA-N	367.405	2.360	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@@H]2C[C@@H]21	2136256118	MQKXVQONMVXBHC-RDBSUJKOSA-N	362.426	2.154	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(Cc2ccc(O)cc2O)C1	2136391276	WZSDKUYTZDQAFJ-GXTWGEPZSA-N	366.414	2.040	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(Cc2ccc(O)cc2O)C1	2136391286	WZSDKUYTZDQAFJ-TZMCWYRMSA-N	366.414	2.040	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ncns1)[C@@H](N)c1ccccc1O	2004767175	VTSWFDDHYLQAPH-RISCZKNCSA-N	350.444	2.380	10	10	FECE	
COc1cc(N)c(N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)cc1OC	2153992103	DXDOZQGXLSQSAM-GHTZIAJQSA-N	369.465	2.376	10	10	FECE	
CC[C@@H](CN(C)CC(=O)Nc1ccc(N)cc1)NC(=O)OC(C)(C)C	2053100047	VDGKOLDIOCDVGJ-AWEZNQCLSA-N	350.463	2.442	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2ccc(O)c(O)c2)C1	2054401329	QHAKHWZYMIVSGK-GFCCVEGCSA-N	350.415	2.427	10	10	FECE	
CC(C)(C)OC(=O)N[C@](C)(C(=O)N1CC[C@@H](CN=[N+]=[N-])C1)C(C)(C)O	2060640535	WJLDUTVKDUBGJD-MEDUHNTESA-N	355.439	2.200	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](C(=O)NCCCN=[N+]=[N-])C[C@H]21	2079201312	NNMOLFHNNQLWJU-JHJVBQTASA-N	353.423	2.218	10	10	FECE	
CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)Nc1ccc(N)cc1	2106283929	LTPTWFHDJWCHKP-RBSFLKMASA-N	364.446	2.461	10	10	FECE	
C[C@@H]1CCN(CCOc2ccc(N)cc2)[C@H](C)[C@H]1NC(=O)C(F)(F)F	2106753440	IUYSTIRAUSYVRC-JMSVASOKSA-N	359.392	2.425	10	10	FECE	
C[C@H](CCNC(=O)OC(C)(C)C)N(C)c1cc2c(cc1N)OCC(=O)N2	2106843175	GLQUTBLAVJXVDR-LLVKDONJSA-N	364.446	2.339	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)N1CCCN(Cc2cscn2)CC1	2307987020	XEKSFNFKQOPGBD-UHFFFAOYSA-N	359.451	2.302	10	10	FECE	
CCN1CCN(C(=O)C(=O)N(c2ccccc2)c2ccc(N)cc2)CC1	170388829	LRZCSKBCVXZUID-UHFFFAOYSA-N	352.438	2.098	10	10	FECE	
NC(=O)C1CCN(C(=O)CNc2ccccc2C(=O)c2ccccc2)CC1	175596677	XTEKVIBPFTVWDN-UHFFFAOYSA-N	365.433	2.053	10	10	FECE	
COc1ccccc1C(=O)N1CCN(c2ccc3c(c2)CC(=O)N3C)CC1	62576007	ZNDKXZVQJFOWBJ-UHFFFAOYSA-N	365.433	2.177	10	10	FECE	
CC[C@H](NCCN1CCN(C)CC1)c1cc(Br)ccc1O	37759745	UMRZZTHVYYAIIO-HNNXBMFYSA-N	356.308	2.443	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](CNCc2ccc3c(c2)CCO3)N2CC[C@H]1C2	2368810067	GNPZVRLJSXDUAT-ROUUACIJSA-N	373.497	2.405	10	10	FECE	
Cc1cc(N2CCC(NCc3ccc4c(c3)CCCO4)CC2)nc(N)n1	95357424	BEWYHSCKUVHMNO-UHFFFAOYSA-N	353.470	2.451	10	10	FECE	
CCCCN(C)C(=O)[C@@H]1C[C@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1	244277898	WSIIHUIBPBQNQG-RTBURBONSA-N	373.497	2.238	10	10	FECE	
CN(C)c1cccc(CNC(=O)/C=C\c2ccc(N3CCOCC3)cc2)n1	255132422	MCMGWYDEIVAPCK-FLIBITNWSA-N	366.465	2.314	10	10	FECE	
Cc1cc(/C=C\C(=O)NCC(N)=O)c(C)n1-c1ccc(OC(F)F)cc1	255168338	LETYAYFEYPVBMQ-BAQGIRSFSA-N	363.364	2.310	10	10	FECE	
COCc1nc([C@H]2COCCN2Cc2cc(Cl)cc(OC)c2O)no1	373406268	IKBDNTVIKSLWHP-GFCCVEGCSA-N	369.805	2.157	10	10	FECE	
Cc1ccc(CN[C@@H](C)[C@H]2CCS(=O)(=O)C2)c(O)c1Br	2381129752	OQZJPSXQKHBHQG-JQWIXIFHSA-N	362.289	2.376	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)N3C[C@@H](C)CC[C@H]3C)CC2)cc1	804317954	UDMATUPSCRZSBA-JKSUJKDBSA-N	373.497	2.427	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(F)cc([N+](=O)[O-])c1N	808094157	DDWYCPVFSIBUNB-UHFFFAOYSA-N	354.334	2.437	10	10	FECE	
CCN1CC[C@H]2OCCN(Cc3cccc(Br)c3O)[C@H]2C1	816639283	MYUZQEHHHZCGPC-LSDHHAIUSA-N	355.276	2.450	10	10	FECE	
O[C@H](CNCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(F)cn1	819358527	KAFMXWQEPPMWIP-QGZVFWFLSA-N	367.371	2.159	10	10	FECE	
Cc1cc(O)c(CNC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1Cl	825325164	BQEOZUPRUYZJSD-YVEFUNNKSA-N	351.834	2.164	10	10	FECE	
CN(C)c1ccc(/C=C\CN(C)C2CCN(S(C)(=O)=O)CC2)cc1	835030610	ZTFTWHBEUNZCED-WAYWQWQTSA-N	351.516	2.122	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1	835027578	FGORAOURBNPCBM-MNBNYPOFSA-N	356.514	2.004	10	10	FECE	
CCON(C)C(=O)CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	845566815	HUWAMIPISDPQTF-UHFFFAOYSA-N	350.463	2.083	10	10	FECE	
COc1cccc(CNC(=O)C(=O)Nc2ccnn2C2CCCCC2)c1O	743915523	KNIIWKDXQCFCTG-UHFFFAOYSA-N	372.425	2.357	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](CC)[C@H]3CCCCO3)nc12	847080603	PKVGTDPUZISFNL-HUUCEWRRSA-N	362.430	2.049	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N2CCCC[C@@H]([C@H]3CCOC3)C2)cc1	929237348	JPJVKCANKMWJFX-MSOLQXFVSA-N	373.497	2.034	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3[C@H]4CC[C@H]3CC(F)(F)C4)nc12	859431102	OPDRVCCBFJFCBU-RYUDHWBXSA-N	366.368	2.374	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(C(C)C)CC3)C2)cc1	851924180	XUPHAOVODSDRJZ-KRWDZBQOSA-N	360.502	2.446	10	10	FECE	
COc1cc(N2CCN(c3ccncc3[N+](=O)[O-])CC2)cc(OC)c1OC	758940007	HAWNNVCRWCNNLX-UHFFFAOYSA-N	374.397	2.342	10	10	FECE	
C[C@H](NC(=O)NCCO[C@H]1CC1(F)F)c1ccc(N2CCOCC2)cc1	852012972	QMOJPWGDIFEJFN-BBRMVZONSA-N	369.412	2.308	10	10	FECE	
COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)NCc2c(O)cccc2F)C1	922052704	WUVYRSRUPZAILC-NWDGAFQWSA-N	353.394	2.197	10	10	FECE	
Nc1ccc(NC(=O)N2CCC(S(=O)(=O)N3CCCCC3)CC2)cc1	926146408	YXWPQDRIDIPZOT-UHFFFAOYSA-N	366.487	2.081	10	10	FECE	
C[C@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCOCC1	755608733	NHMRESDLTOGXEZ-MAUKXSAKSA-N	373.497	2.067	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)CN3CC[C@@H]4C[C@@H]43)cc2F)C[C@@H](C)O1	761091350	MFGJUSOVJLFACK-DZASIIFFSA-N	361.461	2.150	10	10	FECE	
CCn1ncc(CNC(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)n1	862378515	VPJDHNZNFLGFFU-UHFFFAOYSA-N	365.437	2.377	10	10	FECE	
COC(=O)CN(Cc1nc(C)cc(O)n1)Cc1cc(Cl)ccc1O	761875844	YESSNIVQWPJDEN-UHFFFAOYSA-N	351.790	2.025	10	10	FECE	
Cc1cnc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(O)c1	763248450	FCFYRGCGPAQBFZ-UHFFFAOYSA-N	355.438	2.234	10	10	FECE	
COCc1cncc(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1	765577174	AVODDQNVUGCHJU-UHFFFAOYSA-N	359.401	2.338	10	10	FECE	
CC1CCN(c2cccc(NC(=O)c3ccc4c(c3)COB4O)c2)CC1	863874045	OIRUTPZZOXMFSJ-UHFFFAOYSA-N	350.227	2.393	10	10	FECE	
CCN(Cc1cn(C)nn1)C(=O)NCc1ccc(N2CCSCC2)cc1	781796503	LGJOATZQWONKJQ-UHFFFAOYSA-N	374.514	2.100	10	10	FECE	
CC(C)c1ncc(S(=O)(=O)NCc2cc(Br)ccc2O)[nH]1	796191228	RGRWJNZBOZEMKM-UHFFFAOYSA-N	374.260	2.480	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)cc1	1150493320	GKCYAFDYLOVYSJ-KBPBESRZSA-N	364.427	2.031	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2c(O)cccc2O)C1	1156886188	VGFVKOBAMRGKEI-AVCJSFLBSA-N	362.426	2.407	10	10	FECE	
CCOC(=O)Cc1csc(NC(=O)CN[C@@H](C)c2ccccc2O)n1	1308010449	OTSUSJKCFXDAIG-NSHDSACASA-N	363.439	2.244	10	10	FECE	
O=C(O)[C@@H]1COCCN(Cc2cc(Cl)cc(Br)c2O)C1	708117690	ZVLLKTQPEZCYNZ-VIFPVBQESA-N	364.623	2.341	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(C(=O)NCc3c(O)cccc3F)cc2)C1	1334437934	MHHIANUEBKSNSY-CQSZACIVSA-N	371.412	2.163	10	10	FECE	
C[C@@H](NC(=O)C(=O)NCC1(C)CC(F)(F)C1)c1ccc(N(C)C)cc1	1338555754	JWLXQXZBJUNYPP-GFCCVEGCSA-N	353.413	2.481	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(N)=O)cc1	1449075117	OJVGSHBTIQSBSQ-CQSZACIVSA-N	373.800	2.329	10	10	FECE	
Cc1cccnc1NC(=O)CCNC(=O)c1ccc(N=NC(N)=O)cc1	1299020257	LKXOYBIIWFOCOR-UHFFFAOYSA-N	354.370	2.311	10	10	FECE	
CCn1ccnc1[C@H]1OCC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	1615273362	FOEMPNCQFGSMRT-QAPCUYQASA-N	370.453	2.472	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)N3CCN(C)C(=O)C3)c2C)c1	1565193172	QPEYRDFIQRXNHY-UHFFFAOYSA-N	354.454	2.386	10	10	FECE	
NC(=O)c1ccc(OCC(F)F)c(NC(=O)Cc2ccc(O)c(O)c2)c1	1642030413	RDGSHRZTZYRHEZ-UHFFFAOYSA-N	366.320	2.022	10	10	FECE	
Cc1cc(C(=O)NOCC(N)=O)c(C)n1-c1ccc(Br)cc1	1597917112	DSLKCSJLFFEYKY-UHFFFAOYSA-N	366.215	2.003	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@H]1CC(=O)NCCc1ccc(O)c(O)c1	2126624067	WMBDCXJVFBITJD-KBPBESRZSA-N	364.442	2.450	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCC(CN=[N+]=[N-])CC2)=C[C@H]1O	2131479641	YGBWZCOYIUHODC-ZIAGYGMSSA-N	365.434	2.120	10	10	FECE	
Nc1ccc(CC(=O)N[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)cc1	1977681424	YRNFLDALABLTRG-HDICACEKSA-N	353.422	2.385	10	10	FECE	
C[C@@H](NCCC1(O)CN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1O	2027288067	CNQGBBPTFXQXLS-GFCCVEGCSA-N	352.431	2.120	10	10	FECE	
CCc1cccc(CNC2(CCO)CN(C(=O)OC(C)(C)C)C2)c1O	691480897	KZOMRXRJNGTBQS-UHFFFAOYSA-N	350.459	2.416	10	10	FECE	
O=C(NC[C@]12CN(Cc3ccccc3)C[C@H]1CCO2)c1cccc(O)c1O	2175196529	CVTONKBAVABUKH-IERDGZPVSA-N	368.433	2.119	10	10	FECE	
CCOC[C@@](O)(CNC(=O)OC(C)(C)C)c1ccc2c(c1)CCN2C	2044708827	QJZZLCQEDAGCDL-IBGZPJMESA-N	350.459	2.428	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2060633050	JDRHOWSJFPTJEV-RWMBFGLXSA-N	353.423	2.170	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCC[C@H]2CN=[N+]=[N-])CC1	2063390758	GNANQNGGZIXPFE-LBPRGKRZSA-N	353.423	2.050	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)NCCCCN=[N+]=[N-])[C@H](O)C(C)(C)C	2072688160	KDPRVVHUMCQRSW-RYUDHWBXSA-N	357.455	2.493	10	10	FECE	
CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)Nc2ccc(N)cc2)C1	2106289206	XWHCNRWGIMEYAJ-OAHLLOKOSA-N	364.446	2.416	10	10	FECE	
C[C@H](CCNC(=O)OC(C)(C)C)N(C)CC(=O)N(C)c1ccc(N)cc1	2106759659	IJRGTMBIRHLZQE-CQSZACIVSA-N	364.490	2.467	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)[C@H](O)C1(NC(=O)OC(C)(C)C)CC1	2106860735	UXIUKMGGLWJFTG-SJORKVTESA-N	361.486	2.358	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2218736448	YWQXAFDMBMYCSL-NDBYEHHHSA-N	353.423	2.406	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@]2(COc3nnc(=N)[nH]n3)CCCC[C@H]12	2226141049	HGXKGCJNEUVISH-YVEFUNNKSA-N	364.450	2.018	10	10	FECE	
COc1ccc(CN[C@@]23CO[C@@H](C2)[C@H](NC(=O)OC(C)(C)C)C3)c(O)c1	2266452518	QUZYSFNGXMFEDQ-SIXWZSSISA-N	364.442	2.315	10	10	FECE	
COc1cccc(C=C2SC(=S)N([C@@H](C)C(=O)O)C2=O)c1OC	2296025101	LULKDCUHINDVKH-QMMMGPOBSA-N	353.421	2.378	10	10	FECE	
CSc1ncc(CN[C@]2(C(=O)O)CCN(C(=O)OC(C)(C)C)C2)s1	2305587377	FNRNJTBVNPZYAS-OAHLLOKOSA-N	373.500	2.419	10	10	FECE	
CC(NCCO)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	2313683225	UXZLXBBCHFIXDQ-UHFFFAOYSA-N	366.377	2.202	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CCO[C@H]2C[C@@H]1C(=O)NCCCCN=[N+]=[N-]	2310283860	YXPKYONZKCACNP-XQQFMLRXSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@]2(C(=O)N[C@@H]3CCC[C@@H]3N=[N+]=[N-])CO[C@H]1C2	2334184254	UPPSFSUWGGUPDF-KEKQHROYSA-N	365.434	2.406	10	10	FECE	
COC(=O)[C@@H](C)N1C(=O)/C(=C2\C(=O)Nc3c(C)cccc32)SC1=S	102603887	ZOBMVMWWXJULOJ-VDCRVSPTSA-N	362.432	2.080	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@@H]1C(=O)OC	75417049	GZXYQKBWMZTMRJ-NEPJUHHUSA-N	356.216	2.312	10	10	FECE	
Cc1noc([C@H]2CCCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C2)n1	91454946	QQAVVJIQRSNSRL-JTQLQIEISA-N	359.342	2.001	10	10	FECE	
Cc1cc(CS(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)no1	265830599	UHXJTZJBQLXCIM-INIZCTEOSA-N	366.439	2.200	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC(c2ncc[nH]2)CC1	263723699	BMTGWTJKIHFWQH-UHFFFAOYSA-N	369.469	2.336	10	10	FECE	
O=S(=O)(c1cccs1)N1CC[C@@H](CNCc2ccccc2O)C1	375751521	SWSPENUYMIMIMN-ZDUSSCGKSA-N	352.481	2.254	10	10	FECE	
C[C@]1(F)CCCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	295548320	WVSOLZBKGHOBQG-IBGZPJMESA-N	367.440	2.103	10	10	FECE	
C[C@H]1CN(CC(=O)N(C)c2ccc(N)cc2)CCN1Cc1ccccc1	396480075	KVVFWPBRHCZRED-KRWDZBQOSA-N	352.482	2.438	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@H](C)[C@H]3CCCO3)cc2F)CC1	906601820	KESFPMRCLRDJDZ-DNVCBOLYSA-N	363.477	2.399	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCN1C1CCOCC1	919080720	FRENOVARRSNIKT-IBGZPJMESA-N	360.502	2.114	10	10	FECE	
COC(=O)[C@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1ccnn1C	843714718	ZFLHSZPYKFWIPH-GOSISDBHSA-N	366.421	2.472	10	10	FECE	
CSC[C@H](C)C(=O)N1CCC(C(=O)NCc2c(O)cccc2F)CC1	928707472	FETLZDJWZNYAFG-LBPRGKRZSA-N	368.474	2.385	10	10	FECE	
COc1cc(Br)cc([C@H](C)NC[C@H](O)c2ccnn2C)c1O	927131751	QRFNTQJKCJUIPV-ZANVPECISA-N	370.247	2.281	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)Cc3csc4nccn34)C2)cc1	855234188	UXRMHJPDKQIBOF-CYBMUJFWSA-N	356.451	2.342	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Nc3cccc(C(N)=O)c3)C2)cc1	853237833	XWKLZMUWBNQKIL-HNNXBMFYSA-N	354.410	2.195	10	10	FECE	
CC(=O)N1CCO[C@H](C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)C1	929552308	QMLOCBCAPZGAKJ-FQEVSTJZSA-N	369.465	2.000	10	10	FECE	
CCN1CCN(c2ccc(CN[C@H](C)[C@@H]3C[C@H]3C(=O)OC)cc2F)CC1	850127475	WTOYEJXTKBOIOM-HYVNUMGLSA-N	363.477	2.255	10	10	FECE	
CC(C)O[C@]1(CNCc2ccc(N3CCOCC3)c(F)c2)CCOC1	922611321	ATVIZOCDKRQCPY-IBGZPJMESA-N	352.450	2.336	10	10	FECE	
CCN(C(=O)NC1CCN(c2ccc(OC)cc2)CC1)[C@H]1CCN(C)C1	853642515	HZCRLNNCEMLYNB-SFHVURJKSA-N	360.502	2.400	10	10	FECE	
CCN(CC)[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	852454948	RMGOHSDUFQQJSP-SJLPKXTDSA-N	360.502	2.400	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)C(=O)Nc2cc(C)cc(N)c2)cc1	868255738	LBGRYZBHNVMGLU-UHFFFAOYSA-N	370.453	2.119	10	10	FECE	
O=C(NC1(C(=O)NCc2ccc(O)c(O)c2)CC1)OCc1ccccc1	860242625	BITCCQSOUBJEFE-UHFFFAOYSA-N	356.378	2.173	10	10	FECE	
COC(=O)[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)c2ccccc21	768464604	CWJAUQRXKSFZFZ-KDOFPFPSSA-N	355.390	2.485	10	10	FECE	
CC(=O)N1Cc2ccc(NC(=O)C(=O)N[C@@H](C)c3ccccc3O)cc2C1	1119039072	XIGFTALZQUBHOA-LBPRGKRZSA-N	367.405	2.070	10	10	FECE	
COC(=O)[C@@H](CC(=O)N[C@@H](C)c1ccccc1O)NC(=O)OC(C)(C)C	1877573589	MNZWUOXUOXRXRS-WCQYABFASA-N	366.414	2.026	10	10	FECE	
CCc1[nH]c(CNCc2ccc(N3CCN(C)CC3)cc2)cc1C(=O)OC	895608421	MDKURRUKLDWROL-UHFFFAOYSA-N	370.497	2.405	10	10	FECE	
C[C@@H](NC(=O)NCc1ncccc1O)c1ccc(N2CCOCC2)cc1	792052455	SQDPZHLTIMSMIV-CQSZACIVSA-N	356.426	2.184	10	10	FECE	
CN1CCc2cc([C@H](CN)N3CC[C@H]3CNC(=O)OC(C)(C)C)ccc21	1881000765	CWJVIXQJTXQIEK-WMZOPIPTSA-N	360.502	2.278	10	10	FECE	
CCOc1ccc(O)c(CN2CCC(C(N)=O)(N3CCCCC3)CC2)c1	895553504	FITOJIAMBAHWNK-UHFFFAOYSA-N	361.486	2.097	10	10	FECE	
Cc1ccc(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)c(O)c1O	799086563	CXXYPGACFJEUGV-BBRMVZONSA-N	354.406	2.326	10	10	FECE	
CC(=O)Nc1cnccc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	1142503707	BCXLPAHRMZKHLH-CQSZACIVSA-N	368.437	2.368	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H](NCc2cc(F)cc(F)c2O)C1	1962848191	HPOWCOVOZKFTQH-ZDUSSCGKSA-N	358.385	2.396	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)c3nccnc3C(N)=O)c2C)c1	1170856738	CRWKVTYYDNXWKM-UHFFFAOYSA-N	363.421	2.221	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)NCC[C@H]3CC(C)(C)CO3)cc2)CC1	1246383863	ZTVZSSCCQULOKF-IBGZPJMESA-N	374.529	2.443	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NCC[C@H]2CC2(F)F)cc1	1334672279	GEZDAJBPSVHVMC-AWEZNQCLSA-N	353.413	2.311	10	10	FECE	
COc1ccc(N2CCC(NC(=O)C(=O)N3CCCC34CCC4)CC2)cc1	1351071583	WOMCQRLAIJIDSK-UHFFFAOYSA-N	371.481	2.325	10	10	FECE	
Cc1nnnn1-c1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c(F)c1	1351738139	KOOLBXWABCPXNH-UHFFFAOYSA-N	372.379	2.245	10	10	FECE	
O=C(Cc1nc(C2CC2)n[nH]1)NCc1ccc(N2CCSCC2)cc1	1441631675	OOQVOKRLEUIZHB-UHFFFAOYSA-N	357.483	2.094	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CN(CC(C)C)CCO1	1543150559	AFDKAJUPSXYJRN-GOSISDBHSA-N	373.501	2.285	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H]2C[C@@H]2Cc2ccccc2)c1	1648040690	YTVHVFYQHKOQTF-LSDHHAIUSA-N	374.462	2.372	10	10	FECE	
O=C(NCc1cccc(O)c1O)c1ccc2c(Br)cnn2c1	1644711347	YWCYZNBYQZGRNQ-UHFFFAOYSA-N	362.183	2.438	10	10	FECE	
CC[C@@H]1CN(c2nnc(C)n2Cc2ccc(N3CCOCC3)cc2)CCO1	1763475981	FQZUEGDDNMWZOJ-LJQANCHMSA-N	371.485	2.087	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1CC1(N2CCOCC2)CC1	1694637595	RZFMSHXTRXUKJT-UHFFFAOYSA-N	371.485	2.047	10	10	FECE	
COC(=O)c1c(NC(=O)[C@@H]2C[C@H](O)CN2)sc(C)c1-c1ccc(C)cc1	1866042170	QWLOHZVGIPHJKL-KBPBESRZSA-N	374.462	2.480	10	10	FECE	
CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(O)c(O)c(O)c1	2132413961	RQQJMVHBBTVLBU-GFCCVEGCSA-N	368.430	2.473	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)cc1F	1117133383	CHWVDMNETVIDLY-NVXWUHKLSA-N	373.403	2.319	10	10	FECE	
CCOC(=O)CCOc1cn(CCOc2ccc(N)cc2)c(C)cc1=O	1857916956	VIQKNQMVKAQQKJ-UHFFFAOYSA-N	360.410	2.150	10	10	FECE	
CN(C)c1ccc(CNC(=O)CC[C@H](O)CNC(=O)OC(C)(C)C)cc1	2136307226	GFBSRRIKDICIFS-INIZCTEOSA-N	365.474	2.035	10	10	FECE	
NC(=O)c1cccc(N)c1N[C@@H]1CC[C@H]1NC(=O)OCc1ccccc1	1978874516	VHQOIGFYTHECLN-HZPDHXFCSA-N	354.410	2.237	10	10	FECE	
CN1CCc2cc([C@@H](N)c3c(CNC(=O)OC(C)(C)C)cnn3C)ccc21	2163145634	QZNKNKMJLHIGRM-QGZVFWFLSA-N	371.485	2.485	10	10	FECE	
C[C@@H](CCN(C)C(=O)OC(C)(C)C)NC(=O)c1cc(O)c(O)c(O)c1	2068623661	IQRQBZJVYODMQD-JTQLQIEISA-N	354.403	2.179	10	10	FECE	
CN(C)c1ccc(C=C(NC(=O)C(C)(C)C)C(=O)N2CCOCC2)cc1	2314565943	QAXWLKKUVVYLDM-UHFFFAOYSA-N	359.470	2.115	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CC(=O)NCCc1ccc(O)c(O)c1	2335798658	IHNCAUANWSYPFH-UONOGXRCSA-N	364.442	2.307	10	10	FECE	
COc1ccc(N2CCCN(C[C@@H](O)CN3CCC(C)CC3)CC2)cc1	66483565	ZPQSGJAMQXUCQX-HXUWFJFHSA-N	361.530	2.300	10	10	FECE	
Cc1cc(N2CCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)CC2)n[nH]1	189793201	HSXYFXPISCEWQH-UHFFFAOYSA-N	364.453	2.483	10	10	FECE	
Cc1ccc(S(=O)(=O)NCCNCc2ccc3c(c2)CCN3C)cc1	120287421	QLVOJEOLOYEUOT-UHFFFAOYSA-N	359.495	2.055	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)N3CCN4CCOC[C@H]4C3)cc2)CC1	364939430	AOHJUPORNLZHMH-HXUWFJFHSA-N	372.513	2.149	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C	808508801	DSLSORKEUDZZSZ-HXUWFJFHSA-N	369.417	2.224	10	10	FECE	
CCOC(=O)c1cc(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)on1	819590639	LPZDTAYXWNHVEH-ZDUSSCGKSA-N	373.409	2.116	10	10	FECE	
C[C@@H](CN(C)CCCN(C)C)NC(=O)NCc1cc(Cl)ccc1O	820086383	BFFWAWDTLNEPOZ-ZDUSSCGKSA-N	356.898	2.117	10	10	FECE	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cn(C2CCC2)nn1	843802232	GOJVMTLCMHOHDJ-UHFFFAOYSA-N	369.469	2.142	10	10	FECE	
COc1ccc(N2CC[C@@H](NS(=O)(=O)CCC[C@@H]3CCOC3)C2)cc1	849416999	GTIQIZNZADBOFG-HZPDHXFCSA-N	368.499	2.010	10	10	FECE	
COC(=O)/C=C\c1ccc(N(C)[C@@H](CO)COC(C)C)c([N+](=O)[O-])c1	763061306	ZSIYBGVCYUVVKS-QPBFKRLHSA-N	352.387	2.003	10	10	FECE	
CNS(=O)(=O)C[C@H]1CCCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1	863340266	JLWDYSLUWDYGNT-ZDUSSCGKSA-N	370.515	2.157	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N3C4CCC3(CO)CC4)C2)cc1	1119614773	KNHHEYILEWCIJK-XRTORIHISA-N	359.470	2.220	10	10	FECE	
Cc1cc(Cn2nnnc2N(Cc2ccc(N(C)C)cc2)C2CC2)no1	1119733739	SQWGATZAPXVJMM-UHFFFAOYSA-N	353.430	2.253	10	10	FECE	
COC(=O)N1CCC[C@H]([C@@H](C)NCc2ccc(N3CCOCC3)cc2)C1	775348722	IUZPDLNIQAVPKL-AEFFLSMTSA-N	361.486	2.480	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NCc2cccc(C)n2)cc1	788153647	OHBUWJINLCSWIG-UHFFFAOYSA-N	354.454	2.169	10	10	FECE	
COC(=O)c1c(CN2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)c2cc(F)ccc2n1C	894899763	ARRVGCADIPUKPQ-DTTOXWODSA-N	356.397	2.489	10	10	FECE	
Cc1ccncc1CN(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788909188	CTFMBQVTACRCGR-UHFFFAOYSA-N	366.465	2.265	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc3c(nc2O)CCC[C@H]3O)c1	1137473413	IKPMWCBEGRYEIF-QLJPJBMISA-N	358.394	2.362	10	10	FECE	
COC(=O)[C@@](C)(CO)NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C	1161405198	BGNGVWNIXCPEGC-HXUWFJFHSA-N	358.438	2.365	10	10	FECE	
CN(Cc1ccccc1O)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21	1312746106	CMVKJPAYZPGJFS-CQSZACIVSA-N	360.435	2.105	10	10	FECE	
C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)NCc3c(O)cccc3O)c2N1	1178917210	LVDWOIGWJIEECW-LDYMZIIASA-N	352.341	2.235	10	10	FECE	
c1cc(N2CCOCC2)ccc1CN1CCC(NC2CCOCC2)CC1	1332724980	ORAVRKBCMFFURI-UHFFFAOYSA-N	359.514	2.256	10	10	FECE	
Cc1ccc(NC(=O)CSCC(=O)NCc2ccc(O)cc2O)cc1	1299570756	MENPHZWXCMWYGO-UHFFFAOYSA-N	360.435	2.394	10	10	FECE	
Cc1ccc(C(=O)N[C@@H]2CC[C@@H](O)[C@@H](O)C2)cc1-n1c(C)cc(C=O)c1C	1520792403	XJOAMGLYOFUZKT-RLLQIKCJSA-N	370.449	2.219	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)cc1	1543667297	RCCPWHOBBRYEOQ-UHFFFAOYSA-N	366.381	2.038	10	10	FECE	
COc1ccc(CN[C@@H]2CC[C@H](CNC(=O)[C@@H](C)n3cncn3)C2)cc1C	1488907847	OIFDUKUYRKDBPC-BPQIPLTHSA-N	371.485	2.231	10	10	FECE	
O=C(C[S@@](=O)c1ccc(Cl)cc1)NCCc1ccc(O)c(O)c1	1622753387	UGFXYRQBKAFPFZ-HSZRJFAPSA-N	353.827	2.218	10	10	FECE	
O=C(NCc1ccc(N2CCCCC2)cc1)c1cccnc1OCCO	1639739525	ZJVKNDOXJWKSOK-UHFFFAOYSA-N	355.438	2.373	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(C(=O)N3CCC[C@H]3CN=[N+]=[N-])(CO1)C2	2124533964	QRUZJCJPUUMQML-CDEQTRAXSA-N	365.434	2.362	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2124503763	OZMNGGBOIVVLOM-DYVFJYSZSA-N	367.450	2.440	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCSC[C@@H]2CO)c1	1566499331	NESQBUIPMLZORQ-SFHVURJKSA-N	358.463	2.457	10	10	FECE	
C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)OC(C)(C)C	1586061665	TZWZQZLIJHKQQJ-PBHICJAKSA-N	363.502	2.449	10	10	FECE	
O=C(NCCCSc1nccs1)Nc1cnn(-c2ncccn2)c1	154856219	DWQHHANCXWFUJF-UHFFFAOYSA-N	361.456	2.423	10	10	FECE	
CN(C(=O)c1cc(O)c(O)c(O)c1)C1(CNC(=O)OC(C)(C)C)CCC1	2132403986	OFTVLZQOTXHMJO-UHFFFAOYSA-N	366.414	2.323	10	10	FECE	
Cc1cccc(CNC(=O)C[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c1O	2139761170	WMVUKBKAGVXCHH-CABCVRRESA-N	364.442	2.247	10	10	FECE	
COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1ccccc1O	1968793180	VTQHJQPDUZNMPV-GXTWGEPZSA-N	352.431	2.451	10	10	FECE	
COc1cc([C@H](CNC(=O)OCc2ccccc2)C(=O)O)cc(O)c1O	1951727266	ZEDWKZRGLWSRHR-ZDUSSCGKSA-N	361.350	2.201	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2060633376	MWTOFYOUELRAPY-VXGBXAGGSA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H](C(=O)N2CC[C@H](N=[N+]=[N-])C2)O1	2073531659	WHYUQUDRQXGISD-AVGNSLFASA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Nc2ccc(N)cc2)[C@H]2COC[C@@H]12	2106698842	DQPAODNKJVMKNR-ZNMIVQPWSA-N	362.430	2.025	10	10	FECE	
CN(CCN=[N+]=[N-])C(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H]2OCCC[C@@H]21	2260006211	PMFDZZSOZINHDG-MKBNYLNASA-N	353.423	2.218	10	10	FECE	
C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@H]1CCCN1C(=O)OC(C)(C)C	2271393856	FWPSVWPPIRVBGF-CMPLNLGQSA-N	366.414	2.321	10	10	FECE	
O=C(Cc1ccccc1)N1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1	170912825	NSVWCOZNQVGUNZ-UHFFFAOYSA-N	355.394	2.187	10	10	FECE	
Nc1ccc(CCNS(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1	193340749	RHZFUXJHJITVSI-UHFFFAOYSA-N	354.435	2.247	10	10	FECE	
C[C@@H](CC(=O)NCCc1ccc(N)cc1)S(=O)(=O)c1ccc(F)cc1	237446939	XYSYRWPJPMVOPM-ZDUSSCGKSA-N	364.442	2.319	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc(C(=O)OC(C)(C)C)cn1	282992129	GEVIZWUCVIGZJG-LLVKDONJSA-N	373.409	2.204	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1csc(CC)n1	805195237	YPZSCRRTDQSDIJ-UHFFFAOYSA-N	361.467	2.466	10	10	FECE	
O[C@@H](CNCc1ccc(N2CCN(CC3CC3)CC2)cc1)C(F)(F)F	819200346	OHRMNMKKMNQTPU-KRWDZBQOSA-N	357.420	2.231	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)[C@H](C)c3ccnn3C)cc2F)CC1	817431834	FMSUZWKOQUGABB-OAHLLOKOSA-N	373.476	2.121	10	10	FECE	
COc1ccc(N2CCN(CCNC[C@H](O)CC3CCCC3)CC2)cc1	818982093	FJNTXLXNIZWJCI-HXUWFJFHSA-N	361.530	2.348	10	10	FECE	
CN(C(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cnn(C)c1	828522619	KCRNEMCNMOKZJG-GFCCVEGCSA-N	374.445	2.144	10	10	FECE	
Cc1cc(CC(=O)N[C@@H]2CCCS(=O)(=O)C2)c(C)n1-c1ccccc1	827305118	MQKMWPBVWMSDEH-QGZVFWFLSA-N	360.479	2.330	10	10	FECE	
CN1C(=O)N[C@]2(CCC[C@H]2CNC/C=C\c2ccc(N(C)C)cc2)C1=O	835043437	QZOVJALCZRFZPT-MARJLNQVSA-N	356.470	2.076	10	10	FECE	
Cc1c[nH]c(CC(N)=O)c1C(=O)N1CCc2c(Br)cccc21	911186164	CKEGLKVADQCONJ-UHFFFAOYSA-N	362.227	2.316	10	10	FECE	
C/C(=C\C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)CN1CCOCC1	910558164	LMGGRCKONFLJRR-FXFXYLOPSA-N	359.514	2.387	10	10	FECE	
C[C@@H](NS(=O)(=O)C[C@@]12CCCN(CC1)C2)c1ccc(N(C)C)cc1	914392203	VRIJVBGFFJJPOK-QAPCUYQASA-N	351.516	2.219	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)c1ccc(-n2cnnn2)cn1	848045344	FTKLWENSASTRLI-UHFFFAOYSA-N	352.398	2.205	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cccc2oc(O)nc12	856215653	NZFMBKOHKWWKDA-UHFFFAOYSA-N	367.405	2.425	10	10	FECE	
COc1cc(C)c(NS(=O)(=O)c2cccc3nonc23)c(C(=O)O)c1	758944207	FRBBCYPKOUVRPS-UHFFFAOYSA-N	363.351	2.039	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H]4CN(C)CC[C@H]43)C2)cc1	854298920	KESXZKKIWBOPTG-FUHIMQAGSA-N	372.513	2.400	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cc(Br)n[nH]3)C2)cc1	855226866	TXLRADWYGRSNNX-JTQLQIEISA-N	365.231	2.190	10	10	FECE	
Cc1cc(CC(=O)OCCN2C(=O)CCC2=O)c(C)n1-c1ccccc1	853934516	SBXLKYQMBBBMBN-UHFFFAOYSA-N	354.406	2.329	10	10	FECE	
CO[C@@H](C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCCC1	850038755	PYYXGQBFTXOPIM-LJQANCHMSA-N	362.470	2.459	10	10	FECE	
Cc1cccc(CN2CCO[C@@H](CNC(=O)Cc3ccc(N)cc3)C2)c1	867997085	AQNJFHDALPJOLM-FQEVSTJZSA-N	353.466	2.137	10	10	FECE	
C[C@H](NC(=O)NC[C@H](N1CCOCC1)C(F)(F)F)c1ccccc1O	868604673	WANGGEOWVLHLEP-FZMZJTMJSA-N	361.364	2.016	10	10	FECE	
CCO[C@H]1COCC[C@@H]1CC(=O)N1CCN(c2ccc(OC)cc2)CC1	864471042	WCSOUGJHOATBBG-APWZRJJASA-N	362.470	2.176	10	10	FECE	
Cc1cn2c(n1)C[C@H](C(=O)NCc1ccc(N3CCC(O)CC3)cc1)CC2	862225573	BBYDMNIZXIOXNW-QGZVFWFLSA-N	368.481	2.031	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)COCc3ccc(OC)nc3)C2)cc1	862158136	BXZDLEVGSWHYPY-INIZCTEOSA-N	371.437	2.011	10	10	FECE	
COC(=O)CC[C@@H]1CC[C@H](C(=O)NCc2ccc3c(c2)CCCN3C)O1	874251906	TVGINLFVMONKNR-FUHWJXTLSA-N	360.454	2.186	10	10	FECE	
Cc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)c(O)c1O	770466946	WNASRGJAUWRLIV-UHFFFAOYSA-N	356.422	2.168	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CCN(c3ccncc3)[C@H](C)C2)c1O	895556664	LTRVHORHTKVRSU-CYBMUJFWSA-N	358.398	2.415	10	10	FECE	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCN(C)C[C@H]3CO)c2C)c1	1301605117	BVQPDGAMEQRZKC-IBGZPJMESA-N	355.482	2.459	10	10	FECE	
Oc1cccc2c1[C@@H](NCCn1cc(I)cn1)CC2	1964507154	AFSIJGIDLJVBPU-LBPRGKRZSA-N	369.206	2.470	10	10	FECE	
C[C@@H](NC[C@@H]1COCCN1C(=O)OC(C)(C)C)c1cc(O)ccc1O	394143656	YGBZSALNUIKGTJ-CHWSQXEVSA-N	352.431	2.384	10	10	FECE	
CCN(CCS(C)(=O)=O)c1ccc([C@H](C)O)c(Br)c1	688521355	UOTDSPWXBFAQJG-JTQLQIEISA-N	350.278	2.373	10	10	FECE	
CO[C@H]1C[C@H](CNC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1	1332911541	XKCJKIHQRPFEHR-UAPYVXQJSA-N	373.497	2.080	10	10	FECE	
CC(C)(C)OC(=O)N1CC(O)(C2CCN(Cc3ccc(N)cc3)CC2)C1	2120421332	FWUDNDNKAFFMKF-UHFFFAOYSA-N	361.486	2.463	10	10	FECE	
Cc1cc(C(=O)N(Cc2nn[nH]n2)CC(C)C)c(C)n1-c1ccccn1	1471646421	WRWWRBDBGMFOHB-UHFFFAOYSA-N	353.430	2.301	10	10	FECE	
CON(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2O)cc1	1632249756	AJUULPNIYFGMEZ-LBPRGKRZSA-N	364.423	2.065	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCC(N=[N+]=[N-])CC2)C[C@H]2OCC[C@H]21	2124503473	LMFIWXZDCXJHOD-HZSPNIEDSA-N	365.434	2.455	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H](c3nnc4n3CCC4)C2)cc1	1632991029	PUOADPKBZYFQEN-CYBMUJFWSA-N	367.413	2.407	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1ccc(S[C@@H]2CCOC2=O)cc1	1643103827	GXDMMHWZFHJVEN-MRXNPFEDSA-N	359.403	2.435	10	10	FECE	
CN(C)c1ccc([C@@H](CNS(C)(=O)=O)N2CCc3ccccc32)cc1	5099178	OVMXIGUHVQZYEH-LJQANCHMSA-N	359.495	2.406	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)COc3ccc(N)cc3)[C@@H]2C1	2132363192	JGOVODOBWWMQIY-XJKSGUPXSA-N	361.442	2.115	10	10	FECE	
C[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CC[C@H]1NC(=O)OC(C)(C)C	2132392843	MWSOPZXPFGGBLT-ZYHUDNBSSA-N	366.414	2.179	10	10	FECE	
CCc1c(OCCOc2ccc(N)cc2)c(=O)ccn1[C@H](CC)C(=O)O	1857913616	QKBWEDYGFCFVEN-MRXNPFEDSA-N	360.410	2.486	10	10	FECE	
C[C@H](c1ccc(O)cc1O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C1	2136339865	VPSPIPVAPQVIPY-ADLMAVQZSA-N	366.414	2.213	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CNCc1cc2c(cc1O)OCO2	1973716616	ZMRQXKNKGJCEDG-VXGBXAGGSA-N	350.415	2.371	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C2CN(c3cc4c(cc3N)NC(=O)CC4)C2)C1	2196636087	RZWMRQOSPCYVHT-UHFFFAOYSA-N	372.469	2.457	10	10	FECE	
CN1CCCc2cc(CN=c3nc(CNC(=O)OC(C)(C)C)[nH][nH]3)ccc21	2183146667	GGZHUWYFGCHDJP-UHFFFAOYSA-N	372.473	2.246	10	10	FECE	
CCCN(CCNC(=O)OC(C)(C)C)C(=O)COc1ccc(N)cc1	2044622727	IATGMWIBSGNCBB-UHFFFAOYSA-N	351.447	2.411	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1C[C@@](F)(CNC(=O)Cc2ccc(N)cc2)C1	2046405825	NFWLNIBSXSHSBN-PPUGGXLSSA-N	351.422	2.323	10	10	FECE	
C[C@@H]1CCN(C(=O)c2cccc(O)c2O)C[C@H]1NC(=O)OC(C)(C)C	2054411989	BKKCJAFRRNCAJY-DGCLKSJQSA-N	350.415	2.473	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)COc1ccc(N)cc1	2106233532	PIRCRZQWVYENPX-BBRMVZONSA-N	363.458	2.409	10	10	FECE	
C[C@H]1CCN(C(=O)CCc2ccc(N)cc2)C[C@@H]1NC(=O)C(F)(F)F	2106700931	IJTMBTPUMYSAEN-FZMZJTMJSA-N	357.376	2.117	10	10	FECE	
C[C@H]1CCN(C(=O)COc2ccc(N)cc2)C[C@H]1NC(=O)OC(C)(C)C	2106776711	KWEZSRJUPDIAQN-XJKSGUPXSA-N	363.458	2.409	10	10	FECE	
COc1ccc(N2CC[C@@H](CO)[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC	2226800449	SXNFMZLEBUIOBB-ZFWWWQNUSA-N	366.458	2.416	10	10	FECE	
CN(C)c1ccc(C=C2SC(=S)N(CN3CCOCC3)C2=O)cc1	2296833278	SSDWQEWOEJYSGW-UHFFFAOYSA-N	363.508	2.244	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NCc1ccc2c(c1)CCN2C	378873845	VHOMOGDFTBSKQH-AEFFLSMTSA-N	361.486	2.403	10	10	FECE	
COCCOC[C@H]1CCN(C(=O)C=Cc2ccc(N3CCOCC3)cc2)C1	2297704169	TZVUYSCQLJRJED-IBGZPJMESA-N	374.481	2.048	10	10	FECE	
C[C@@H](CNC(=O)C=Cc1ccc(N2CCOCC2)cc1)CC1(C)OCCO1	2297749829	DVDHRYYGIDRAAX-QGZVFWFLSA-N	374.481	2.442	10	10	FECE	
COc1ccc(N2CCN(C(=O)COC(=O)Cc3ccccc3)CC2)cc1	6038981	YYYMRRVUBIOAEO-UHFFFAOYSA-N	368.433	2.130	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cnn(-c2ncccn2)c1	183161882	UGRSZBMSNFPGTE-UHFFFAOYSA-N	365.397	2.159	10	10	FECE	
C[C@@H](NC[C@@H](c1cnn(C)c1)N(C)C)c1ccc(N2CCC(O)CC2)cc1	129940113	PGBCQQPBRFBPSJ-IERDGZPVSA-N	371.529	2.335	10	10	FECE	
CC1(C)[C@H](NC(=O)/C=C\c2ccc(N3CCOCC3)cc2)[C@@H]2CCO[C@H]21	254990440	ZXSHCYQVBYYEDL-LMRFAJQXSA-N	356.466	2.466	10	10	FECE	
CCNS(=O)(=O)c1ccc(/C=C\C(=O)N(C)Cc2ccccc2O)cc1	255229458	AKXGDYJACZNRLG-RAXLEYEMSA-N	374.462	2.362	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN3CCCC[C@H]3C(F)F)CC2)cc1	800444420	DEULHUSCUXBGII-KRWDZBQOSA-N	367.440	2.463	10	10	FECE	
Cn1nccc1-c1ccccc1/C=C1\SC(N2CCOCC2)=NC1=O	814187328	GRYSWYNMHQJSIN-VBKFSLOCSA-N	354.435	2.390	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cn(C)nc1C1CC1	812984408	FHQQFEZXSBPOFA-UHFFFAOYSA-N	356.426	2.380	10	10	FECE	
COc1ccc(N2CCC(NC(=O)N3[C@H]4CC[C@H]3[C@@H](CO)C4)CC2)cc1	812024655	PRGWWVZLWLDIMP-LJHODMEESA-N	359.470	2.219	10	10	FECE	
CCOC(=O)C[C@H](CO)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	820054987	UGPYVXBUKRJNAD-OAHLLOKOSA-N	362.401	2.277	10	10	FECE	
COCC(C)(C)CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	839556119	ICUBQNPWWBNJFG-INIZCTEOSA-N	361.486	2.067	10	10	FECE	
Cc1cc(CC(=O)NCCC2CS(=O)(=O)C2)c(C)n1-c1ccccc1	832807102	YDQKDLZZDGGBRG-UHFFFAOYSA-N	360.479	2.188	10	10	FECE	
Cn1ccnc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	741262581	XSPFYDWGXZZAAG-UHFFFAOYSA-N	350.369	2.420	10	10	FECE	
COc1ccc(N2CC[C@@H](COC(=O)c3cn(CC4CC4)nn3)C2)cc1	842873405	HXIAPNMPPJKNKM-OAHLLOKOSA-N	356.426	2.380	10	10	FECE	
Cc1ccccc1[C@@H](O)C1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1	841127833	PFSIKAHEYYXQOV-IBGZPJMESA-N	367.449	2.488	10	10	FECE	
COC[C@@]1(C)CN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CCO1	858543440	ITZCNIRXZYZMKE-OXQOHEQNSA-N	363.502	2.439	10	10	FECE	
C[C@@H](CN(C)CCCN(C)C)NCc1ccc(N2CCOCC2)c(F)c1	850354091	VIRFUSUGDURODF-KRWDZBQOSA-N	366.525	2.024	10	10	FECE	
CC(=O)c1cc(Cl)cc(CN2CC[C@H](N(C)C(=O)N(C)C)C2)c1O	852652630	AEDQTJATDPAZMZ-AWEZNQCLSA-N	353.850	2.436	10	10	FECE	
C[C@@H](NC[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)c1ccccc1O	931553314	BKUADNSIGKQSIV-CZUORRHYSA-N	370.515	2.044	10	10	FECE	
COC[C@@H](CCNC(=O)NC1CCN(c2ccc(OC)cc2)CC1)OC	852446058	DMPUPEKYXSGGSI-GOSISDBHSA-N	365.474	2.015	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1ccnc(F)c1	868958550	BETDXCWEAHFGTG-UHFFFAOYSA-N	358.417	2.181	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1ncc2c(F)cccn12	862225571	AXXDLSILRWCFTP-UHFFFAOYSA-N	368.412	2.365	10	10	FECE	
COCC1(C(=O)N[C@H](C)c2ccccc2O)CN(C(=O)OC(C)(C)C)C1	1877570977	LWDNCJHXBUTLNR-CYBMUJFWSA-N	364.442	2.453	10	10	FECE	
Cc1nnc(NC(=O)N(CC(=O)O)Cc2cc(Cl)ccc2O)s1	788322216	VYOOHFQBBWUSCH-UHFFFAOYSA-N	356.791	2.324	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@@H](COc2ccccc2)C1	791152370	IGZFHTBFUFLJLD-UGAXZCSASA-N	355.390	2.417	10	10	FECE	
CN(Cc1cc(Br)cc(F)c1O)C[C@@H]1CCS(=O)(=O)C1	1332692800	ZETFRUASNHHBLD-VIFPVBQESA-N	366.252	2.160	10	10	FECE	
COc1ccc(CNC(=O)C(=O)Nc2cc(C)n([C@H](C)C3CC3)n2)c(O)c1	797390883	YCDFSOICVAGIGA-GFCCVEGCSA-N	372.425	2.132	10	10	FECE	
CCn1c(S)nc2cc(C(=O)NCc3c(O)cccc3O)ccc2c1=O	1156881108	PIUIMQGFTCUDSR-UHFFFAOYSA-N	371.418	2.046	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCCN(C(=O)OC)CC2)c([N+](=O)[O-])c1	1318150546	JRZFPYBCGNWGGK-ALCCZGGFSA-N	363.370	2.060	10	10	FECE	
O=C(C(=O)N1CCC[C@@H]([C@H]2CCCCO2)C1)N1Cc2cccc(O)c2C1	1332073521	FLAAIXHEIWUARJ-CRAIPNDOSA-N	358.438	2.042	10	10	FECE	
CC(=O)NCCCn1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C	1359462786	OTDSKEUGEWJEPT-UHFFFAOYSA-N	359.474	2.444	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCc2nnn(C)c2C1	1352615929	TZLLPLPPAKFPAM-INIZCTEOSA-N	353.470	2.179	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccnc1-c1cnn(C)c1	1447562643	LHWHLWRJIMUDHJ-GFCCVEGCSA-N	352.394	2.254	10	10	FECE	
Cc1ncccc1NC(=O)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1	1450908777	UAYATQANYCCFNN-NSHDSACASA-N	354.370	2.309	10	10	FECE	
C[C@H](NC(=O)N[C@@H]1CC[C@@H]2CN(C)C[C@@H]21)c1ccc(N2CCOCC2)cc1	1520714493	FSGLGMMHIVWNCV-MFHCWRBVSA-N	372.513	2.224	10	10	FECE	
Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccc(O)c(O)c2)c1	1545639561	UBDXNIJYGKJEHJ-MRXNPFEDSA-N	354.406	2.327	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2124515083	YCVUIGWBXRIQNW-RFQIPJPRSA-N	365.434	2.170	10	10	FECE	
CN(Cc1ccccc1O)C(=O)c1cc(I)nn1C	1566304181	VUHJHVCPSHXFHN-UHFFFAOYSA-N	371.178	2.003	10	10	FECE	
COc1ccc(CNC2(CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)cc1C	1499253605	DPZGZDORTHFWNR-HZPDHXFCSA-N	354.454	2.269	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](O)C[C@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2124538416	JLHPEGLMBHTUOV-KBPBESRZSA-N	367.450	2.296	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@](F)(CNCc2ccc(O)cc2O)C1	2126039614	KJMANHQRWZAITQ-SFHVURJKSA-N	370.421	2.163	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NCc1ccc(F)c(F)c1O	2036602092	KHWOEPHISIZXHQ-AAEUAGOBSA-N	358.385	2.300	10	10	FECE	
CN[C@H](C)c1ccc(N2C[C@H]3C[C@H]2CS3(=O)=O)c(Br)c1	321356624	YWPNLSBSHMEJPK-ADEWGFFLSA-N	359.289	2.105	10	10	FECE	
CCN[C@@H](c1ccccc1O)c1cn(C)nc1I	2045698326	GVUNYLMFWAYMEK-LBPRGKRZSA-N	357.195	2.429	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)NCc2ccccc2O)O1	2060485803	SZVAIKQEZKFUBQ-ZFWWWQNUSA-N	350.415	2.081	10	10	FECE	
COc1ccc(O)c([C@H](C)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)c1	2060805971	IWXLOGMPHUILLW-SGTLLEGYSA-N	354.447	2.327	10	10	FECE	
C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)CCc1ccc(N)cc1	2106707413	ORJRKFRRZOUJLI-RISCZKNCSA-N	357.376	2.259	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@](O)(CCNCc2ccc3c(c2)CCO3)C1	2230148901	JEWBIWSOLKZTBW-FQEVSTJZSA-N	362.470	2.473	10	10	FECE	
COc1ccc(N2C[C@@H](O)CC23CN(C(=O)OC(C)(C)C)C3)cc1OC	2226808825	MOZFLAGBINGVKL-AWEZNQCLSA-N	364.442	2.264	10	10	FECE	
CCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CC)C1=O	2297312782	UPCSEUOFNQLEBN-UHFFFAOYSA-N	360.464	2.347	10	10	FECE	
N=C1C(=Cc2ccc(O)cc2)C(=O)N=C2SC(N3CCCCC3)=NN12	2297352677	LJJGIZYSBYAPCP-UHFFFAOYSA-N	355.423	2.455	10	10	FECE	
COc1ccc(O)c(CN[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2OC)c1	393385424	HFXAPZSULOVMNY-HOCLYGCPSA-N	352.431	2.125	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-]	2312649344	ZYMJOPWRUWRNFN-RNJOBUHISA-N	353.423	2.094	10	10	FECE	
COC(=O)[C@@H](C)N1C(=O)/C(=C2\C(=O)Nc3ccc(C)cc32)SC1=S	1810168	CISNZGGJXZDIFN-MDBUJETNSA-N	362.432	2.080	10	10	FECE	
CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccc(N3CCCC3)cc1)CC2	172310226	GFDSRBWZSGURCC-MRXNPFEDSA-N	368.485	2.255	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCc3ccccn3)CC2)cc1OC	244211429	VULKVPKVIRIAFD-UHFFFAOYSA-N	356.426	2.131	10	10	FECE	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CN1CCOCC1=O	279620517	HSJXRPBNPONGFM-MRXNPFEDSA-N	368.433	2.341	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN[C@@H](c2ccccc2)c2nc[nH]n2)c1O	365157888	ZHXINIXEHDZAGS-AWEZNQCLSA-N	355.354	2.306	10	10	FECE	
CO[C@H]1CCS(=O)(=O)N(Cc2ccc(C)c(Br)c2O)C1	2380772297	GXVBOVWXCDGMTJ-NSHDSACASA-N	364.261	2.014	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@H]3C[C@H]32)C1	646748715	RTYHCAVKNDDDIY-UXHICEINSA-N	353.466	2.408	10	10	FECE	
OCC1(NCc2ccc(N3CCOCC3)c(F)c2)Cc2ccccc2C1	734845709	BFMVUTPGGMBTMM-UHFFFAOYSA-N	356.441	2.282	10	10	FECE	
C[C@H]1C[C@@H](S(=O)(=O)NCc2cccc(Br)c2O)CCO1	831286459	BBAUNERCVDEMCI-ONGXEEELSA-N	364.261	2.142	10	10	FECE	
COC[C@@H](C)n1ccc(=NC(=O)/C=C\c2ccc(N3CCOCC3)cc2)[nH]1	588527743	UOUMHXJTCCFQKA-KQQSKNTNSA-N	370.453	2.001	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1C[C@@H]2C[C@H]1CS2	837715199	VZHNCRISPJOYBZ-ZFWWWQNUSA-N	365.474	2.186	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCCCC3CC3)cc2)C1	736405172	CDGASUHZANWXBW-KRWDZBQOSA-N	358.486	2.378	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)cc1	842469855	NLMYLMLYPTWYFK-NJAFHUGGSA-N	359.470	2.087	10	10	FECE	
COc1ccc(N2CCN(CCCN[C@H](C)c3ccnnc3)CC2)cc1	924579216	HJVCYIZQSNMQMV-QGZVFWFLSA-N	355.486	2.348	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)Cc3cc(C)[nH]n3)C2)cc1	852220776	XMDYDVKWGYXDKQ-HIFRSBDPSA-N	357.458	2.236	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C3=NN(CC(C)C)C(=O)CC3)C2)cc1	855227860	QMNDHTCRHJOIKQ-OAHLLOKOSA-N	372.469	2.025	10	10	FECE	
COC[C@]1(C)CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CCO1	858865846	RSQVDCHSXMYEGH-WVRJYTFGSA-N	350.371	2.023	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cccc4c3OCCO4)C2)cc1	855230122	NIADMAXOEDAWEU-AWEZNQCLSA-N	354.406	2.475	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCCC(=O)OC(C)(C)C)C2)cc1	852141659	JXJINHFAJFPFEL-CQSZACIVSA-N	363.458	2.305	10	10	FECE	
O=[S@](CCNCc1ccc(N2CCOCC2)c(F)c1)CC(F)(F)F	850348999	XJAJDYKJUFCEMP-XMMPIXPASA-N	368.396	2.063	10	10	FECE	
CCOc1ccc(-n2ncc(C(=O)NCc3cc(C)ccc3O)c2C)nn1	862759287	BXBZHSLUHXKTOL-UHFFFAOYSA-N	367.409	2.313	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc([N+](=O)[O-])cn1	761974670	WTYUYZPKYPGJMV-UHFFFAOYSA-N	358.423	2.473	10	10	FECE	
Cc1ccccc1-n1c(C)cc(C(=O)CN2CCO[C@@H](CC(N)=O)C2)c1C	860012121	FXOBBNMLNACYPX-KRWDZBQOSA-N	369.465	2.161	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H]3CCCC34CC4)nc12	860176978	LAXNPQKWRLAWJJ-CYBMUJFWSA-N	359.382	2.235	10	10	FECE	
O=C(NCc1ccccc1O)N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1	869013266	TZUYZTXJVUVNIS-KOMQPUFPSA-N	360.435	2.196	10	10	FECE	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCOCC[C@H]2C)c1	774651163	VCVYMPUIXYNFMV-OAHLLOKOSA-N	362.470	2.038	10	10	FECE	
C[C@H](CNCc1ccc(O)c(O)c1)N1CCN(C(=O)OC(C)(C)C)CC1	1877257560	ZSCDZNHVHKPLCT-CQSZACIVSA-N	365.474	2.129	10	10	FECE	
CCO[C@@H](CCN(C)C)CNC(=O)c1cc2cc(O)c(O)cc2s1	896938575	CGBZZPLZDPFZQR-LBPRGKRZSA-N	352.456	2.399	10	10	FECE	
COC(=O)c1c(CN[C@@H]2CCC[C@@H](C(N)=O)C2)c2cc(F)ccc2n1C	894287400	GGSWQMOCYIPHCU-DGCLKSJQSA-N	361.417	2.238	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1	1147081999	OMORTLRSGAZDOZ-CYBMUJFWSA-N	350.415	2.156	10	10	FECE	
CC(C)c1nnc(N(C)Cc2ccccc2O)n1C[C@]1(O)CCO[C@@H]1C	1302579487	OWZGWSZAQJASIL-AUUYWEPGSA-N	360.458	2.283	10	10	FECE	
Cc1cccc(CNCCn2cc(I)cn2)c1O	1964614226	JMDNUBWLTMOVEM-UHFFFAOYSA-N	357.195	2.292	10	10	FECE	
C[C@@H]1CSC[C@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1312669519	QYDRPERFEZYFED-XYPHTWIQSA-N	350.532	2.406	10	10	FECE	
CCOCc1nnc(N(C)CCOC)n1Cc1ccc(N(C)C)cc1C	1314310360	JGTVZRSZYVMBBI-UHFFFAOYSA-N	361.490	2.320	10	10	FECE	
C[C@H](N)c1ccc(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc1O	711806238	ZOIMBVFTRRBLPQ-HRAATJIYSA-N	355.482	2.485	10	10	FECE	
CN1CCN(c2ccc(CN3C[C@H]4CC[C@H]3[C@H]3CNC[C@@H]43)cc2F)CC1	1331980310	GZOUJGBDIQPNQH-LXZJYRNTSA-N	358.505	2.007	10	10	FECE	
CCOC[C@H](C)NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	1343254183	HVULGMDZYZOFFO-AWEZNQCLSA-N	360.410	2.055	10	10	FECE	
Cn1cnc(/C=C\C(=O)N2CC(=O)Nc3ccc(Br)cc32)c1	1521110562	NQZRPQAOLLGRLT-HYXAFXHYSA-N	361.199	2.181	10	10	FECE	
CCn1cc(Cl)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1	1534309766	YHLNOSWILTUOSN-UHFFFAOYSA-N	366.824	2.462	10	10	FECE	
COc1ccc([C@H](CO)CNC(=O)c2ccc(N=NC(N)=O)cc2)cc1	1626128884	VEBPJYWPDMPLRA-AWEZNQCLSA-N	356.382	2.364	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O	1635843532	WFKGJDXEZDBTEQ-CYBMUJFWSA-N	360.797	2.421	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)NCCc3ccc(O)c(O)c3)C[C@H]12	2124152482	GPFRJFAIRYLMQD-VLXJIEOASA-N	362.426	2.060	10	10	FECE	
O=C(NCc1ccc(O)cc1O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1	1639444423	LDOIFHDOIPEUPC-LLVKDONJSA-N	362.332	2.045	10	10	FECE	
O=C(NCc1ccc(O)cc1O)C(=O)c1ccc(Br)s1	1630306439	CIAUSRTWOSYTNO-UHFFFAOYSA-N	356.197	2.421	10	10	FECE	
CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2124505391	KYYLPRFIUVKIMR-KBPBESRZSA-N	368.482	2.380	10	10	FECE	
C[C@@H](NC(=O)CCn1nc(O)c2ccccc2c1=O)c1ccccc1O	1587445281	YTQIZGQONCFLNW-GFCCVEGCSA-N	353.378	2.075	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cn4c(n3)C[C@H](C)CC4)C2)cc1	1587115567	XFPYZNNTKQIAAD-CABCVRRESA-N	354.454	2.483	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])OCC12CC2	2127540793	AWQYPMYLGFLOEO-QWHCGFSZSA-N	365.434	2.456	10	10	FECE	
COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1ccc(C(=O)O)cc1	5824014	BXYLTZUZKYRKJU-BMANGOCTSA-N	371.389	2.236	10	10	FECE	
COc1ccc(Br)c(CN[C@H](C)[C@@H](C)S(C)(=O)=O)c1O	1970407483	AEBVCYCGNSXPQT-RKDXNWHRSA-N	366.277	2.075	10	10	FECE	
COc1ccc(CN[C@@H]2COCC[C@H]2NC(=O)OC(C)(C)C)c(O)c1	2031533422	UGUOCUPOLFWJKV-HUUCEWRRSA-N	352.431	2.173	10	10	FECE	
CN(C[C@H]1CCCS1(=O)=O)c1ccc(CN)c(Br)c1F	694093716	HOPAZPBGZJIYAV-SNVBAGLBSA-N	365.268	2.060	10	10	FECE	
Cc1cc(O)n2ncc(C(=O)Nc3cccc(C(=O)N4CCCC4)c3)c2n1	2087900424	CLOWMQHSZWRZNM-UHFFFAOYSA-N	365.393	2.232	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNCc2c(O)cccc2F)C[C@H]1O	2052663844	QWRJYTCEAKHQDL-SGIREYDYSA-N	354.422	2.285	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNCc2c(O)cccc2F)C[C@H]1O	2052663842	QWRJYTCEAKHQDL-DJSGYFEHSA-N	354.422	2.285	10	10	FECE	
C[C@H]1CCN(C(=O)c2cccc(O)c2O)C[C@H]1NC(=O)OC(C)(C)C	2054411990	BKKCJAFRRNCAJY-WCQYABFASA-N	350.415	2.473	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2060614775	HHDWQQXFZGTFIR-FRRDWIJNSA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)N1CCC(N=[N+]=[N-])CC1	2060634174	WNAJXYJQZUJSLX-WBMJQRKESA-N	353.423	2.218	10	10	FECE	
COC1(CNC(=O)OC(C)(C)C)CC(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)C1	2060635116	IBOZVHDQDRQBTL-BWBHSNQOSA-N	353.423	2.218	10	10	FECE	
CN(CCCN(C)C(=O)OC(C)(C)C)C[C@H](O)COc1ccc(N)cc1	2106656246	VVHNBVSKYNSBMD-INIZCTEOSA-N	367.490	2.197	10	10	FECE	
C[C@H]1CCN(CCCOc2ccc(N)cc2)C[C@@H]1NC(=O)C(F)(F)F	2106676358	ZCNKNUIJJMHSLA-WFASDCNBSA-N	359.392	2.427	10	10	FECE	
CC(C)(C)OC(=O)NC1CC2(C1)CN(C(=O)COc1ccc(N)cc1)C2	2106702946	KDLJBKGQRGXQDD-UHFFFAOYSA-N	361.442	2.163	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CCCNc3ccccc32)=C[C@H]1O	2200988609	OWUGLMPNBGCAQO-DOTOQJQBSA-N	373.453	2.420	10	10	FECE	
CC(C)(C)OC(=O)NC12COC(C(=O)N3CCC[C@H]3CN=[N+]=[N-])(C1)C2	2254817162	KHOFZQWLIZLSKL-SOISORPOSA-N	351.407	2.114	10	10	FECE	
CC(C)c1ccc(N2C(=O)NC(=O)C(=CNN3CCCCC3)C2=O)cc1	2297060466	ZPGGTGJDLTUZBA-UHFFFAOYSA-N	356.426	2.267	10	10	FECE	
CSc1ccc(C=C2SC(=S)N([C@H](C(=O)O)[C@@H](C)O)C2=O)cc1	2323823848	SNEZCPNJAFZUSH-PELKAZGASA-N	369.489	2.444	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@H]1COC2(CNC(=O)OC(C)(C)C)CC1C2	2342774074	ZAHDGIJIYPXEEW-JZLYGMAVSA-N	367.450	2.465	10	10	FECE	
CCN(CC)S(=O)(=O)NCc1ccc(C)c(Br)c1O	2352644956	DXVGUSYUAGEXAT-UHFFFAOYSA-N	351.266	2.139	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N[C@H](C)c1cc(O)ccc1O	305881185	AZEBMDQUWSVBIV-XFJVYGCCSA-N	352.431	2.383	10	10	FECE	
[N-]=[N+]=NCCCN[C@@H](C(=O)O)c1ncc(I)s1	304474703	JZRDXMFKUNVRLE-ZCFIWIBFSA-N	367.172	2.163	10	10	FECE	
COc1ccc(C(=O)N[C@H](C(=O)NCCc2ccc(N)cc2)C(C)C)cc1	179042836	VXEAZYOGENARDZ-IBGZPJMESA-N	369.465	2.391	10	10	FECE	
CCCNc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)ncn1	243865148	RJQMMXUGJHPROC-UHFFFAOYSA-N	355.442	2.270	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@](CO)(c4ccccc4)C3)cc2N1	365703577	KETRIEYDDUQTFN-LJQANCHMSA-N	369.377	2.066	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN[C@@H](Cc2ccccc2)C(=O)N(C)C)c1O	278884750	OSSGQILRCKLLBA-HNNXBMFYSA-N	373.409	2.098	10	10	FECE	
C[C@H](NC(=O)N1CCN(CC(F)(F)F)C(=O)C1)c1ccc(N(C)C)cc1	805308886	JVZSOYXSLZRHRZ-LBPRGKRZSA-N	372.391	2.230	10	10	FECE	
CC(=O)C(=O)COC(=O)c1ccccc1CCN(C)C(=O)OC(C)(C)C	817270862	FYFDFQLWLVHOAO-UHFFFAOYSA-N	363.410	2.411	10	10	FECE	
CCN(C(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCCOC1	823519812	OFPGTSNOZDHPRF-GOSISDBHSA-N	361.486	2.358	10	10	FECE	
Cn1cc(C(=O)C[C@H]2CCCN2C(=O)/C=C\c2ccc(O)c(O)c2)cn1	588404951	XAUIWASDXVOOLD-ZQMJAJRESA-N	355.394	2.109	10	10	FECE	
CCn1ccnc1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	836571879	GPXYQFIYYOWIFW-UHFFFAOYSA-N	371.485	2.111	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)N1C[C@H](O)C[C@H]1[C@@H]1CCCOC1	837626404	KLAXNUFIXMRTGE-RLLQIKCJSA-N	373.497	2.358	10	10	FECE	
CC(C)(C)OCCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1	746727580	SLLFMTFUGABHMT-UHFFFAOYSA-N	353.438	2.277	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N[C@H](CN)C(F)(F)F)cc1F	848594747	GWJCFNTYPVGGBH-CYBMUJFWSA-N	350.360	2.361	10	10	FECE	
O=C(O)c1cnn2c(O)cc(CN(C[C@@H]3CCCO3)C3CCCC3)nc12	846252838	FJBDRGHHVYNCMG-AWEZNQCLSA-N	360.414	2.057	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@@H]2COC[C@@H]2C1	851991550	QOFYCMUHMPZNQJ-SJORKVTESA-N	361.511	2.418	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)OCC(=O)N1CCC[C@H](C(F)(F)F)C1	750556707	WOSRRYZUVHCNLZ-RNZFLTOJSA-N	373.327	2.455	10	10	FECE	
CO[C@H](CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)[C@H]1CCOC1	852384976	JOSIYCBVQQVQLS-HHXXYDBFSA-N	363.502	2.343	10	10	FECE	
COC(=O)[C@H]1CSCCN(Cc2c(O)cccc2Br)C1	862394937	TZQURXGQVPWHEC-SNVBAGLBSA-N	360.273	2.493	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)COCc3ccnc(OC)c3)C2)cc1	862159296	PZCXMXOMDUAVCZ-INIZCTEOSA-N	371.437	2.011	10	10	FECE	
Cc1ccc(C(=O)NCCC(=O)NCc2cc(Cl)ccc2O)c(O)c1	1146233596	XRIVGGFHKXWIJF-UHFFFAOYSA-N	362.813	2.496	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)N2C[C@@H]3[C@H](C2)C3(F)F)cc1F	1349705652	DNSYNBPOGJHNIF-BETUJISGSA-N	369.387	2.012	10	10	FECE	
CC(C)[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C1CC1	1327935095	USCQLZJABBFJFW-BEFAXECRSA-N	373.497	2.251	10	10	FECE	
COC[C@](C)(CCO)NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1	1348272736	YACRCJRDURIWQV-FQEVSTJZSA-N	358.438	2.424	10	10	FECE	
CCn1cccc1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	1518980062	KTUGYNPWIAWKSI-MRXNPFEDSA-N	354.454	2.140	10	10	FECE	
COC(=O)c1ccc2c(c1)CCN(C(=O)/C=C/c1ccc(O)c(O)c1)C2	1455281539	CNAGLHUADBSRAK-XVNBXDOJSA-N	353.374	2.483	10	10	FECE	
COc1cccc(C[C@H](O)C(=O)NCc2ccc3cccnc3c2O)c1	1469250958	VGULOAKCQNQZGV-KRWDZBQOSA-N	352.390	2.169	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1	2124508168	NPABPXSFJUNTHW-HZSPNIEDSA-N	367.450	2.296	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N2CCSC[C@@H]2CO)CCCC1	1566499450	RGPWMLTVZMKEGO-AWEZNQCLSA-N	374.506	2.465	10	10	FECE	
Cc1nnc(N2CCSCC2)n1Cc1ccc(N2CCOCC2)cc1	1726414798	MZFCUTQALINCTH-UHFFFAOYSA-N	359.499	2.025	10	10	FECE	
O=C(NCc1ccc2cccnc2c1O)[C@@H](O)c1cccc([N+](=O)[O-])c1	1643285020	QJMSKHGTUPLZQV-KRWDZBQOSA-N	353.334	2.198	10	10	FECE	
CC(=O)N/C(=C/C1=S=CC=C1)C(=O)Nc1ccc2c(c1)CCCC2=O	1570651501	CBRIZAVWGNGLSH-GZTJUZNOSA-N	354.431	2.442	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(=O)NCCN=[N+]=[N-])C1	2010393344	QZHUNUWFGWLLMX-DTWKUNHWSA-N	351.329	2.458	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ccn(-c3ccc(N)cc3)n2)C1	2163053897	RRNIYFUDSMBHAY-AWEZNQCLSA-N	371.441	2.194	10	10	FECE	
O=C1N[C@@H](Cc2ccc(O)c(O)c2)C(=O)N1CCCOCc1ccccc1	2173028293	ZKDXXRLMNHJGOZ-INIZCTEOSA-N	370.405	2.168	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2ON=C(CNCc3ccc4c(c3)CCO4)[C@H]2C1	2183633058	PGVFLARVIDZTLD-QAPCUYQASA-N	373.453	2.333	10	10	FECE	
COCCC1(C(=O)NCCN=[N+]=[N-])CCN(C(=O)OC(C)(C)C)CC1	2060616008	VHJZYDWSDBAIFC-UHFFFAOYSA-N	355.439	2.467	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(N=[N+]=[N-])CC1)[C@H]1CCOC1	2060620520	BIXSAKOZAUAYMF-AAEUAGOBSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COCC[C@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060633949	UAOGTBMIGPUHGE-JHJVBQTASA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2073949844	KRKGLQMMDBWFKU-FRRDWIJNSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NCc1ccc(F)cc1O	2084176508	RBZKRGPXANERTA-DRPJVOAASA-N	352.406	2.302	10	10	FECE	
CC(C)(C)OC(=O)NC1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CC2(CC(F)C2)C1	2273669267	KYCTVRKJCDIUHM-AUXVAELCSA-N	368.449	2.428	10	10	FECE	
C[C@@H](CC(=O)N1CCc2cc(O)c(O)cc2C1)NC(=O)OC(C)(C)C	2318659446	DCCLORSQEHJUPB-NSHDSACASA-N	350.415	2.286	10	10	FECE	
CC(C)(C)OC(=O)N1CC(F)(F)[C@](C)(NC(=O)c2cccc(O)c2O)C1	2336389394	KJLGSEIHFSOLAG-MRXNPFEDSA-N	372.368	2.472	10	10	FECE	
CN1CCN([C@@H](CNC(=O)C2CCCC2)c2ccc(N(C)C)cc2)CC1	22589144	UCTLCEVCLBKXPT-FQEVSTJZSA-N	358.530	2.348	10	10	FECE	
COc1ccc(N2CCN(C=O)CC2)cc1NC(=O)c1ccc(F)cc1	62160204	VALJBFADYXIALD-UHFFFAOYSA-N	357.385	2.365	10	10	FECE	
O=C(NCc1cccnc1)C1=C2CCCN2c2ccc(F)cc2S1(=O)=O	65239749	GMFLFICRVSQCTA-UHFFFAOYSA-N	373.409	2.136	10	10	FECE	
CC(C)N1C(=O)/C(=C2/SC(=S)N(CC(=O)O)C2=O)c2ccccc21	33305910	PDJWXYVOHWXAJJ-OUKQBFOZSA-N	362.432	2.098	10	10	FECE	
C[C@@]1(C(=O)NCc2ccc(O)c(O)c2)CCCN1C(=O)c1ccccc1	182514050	JNMINTXRIYTJGH-FQEVSTJZSA-N	354.406	2.409	10	10	FECE	
O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1	33305979	PYWCVJDVVNCLEF-WUXMJOGZSA-N	359.725	2.415	10	10	FECE	
CN1C(=O)CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc21	49649666	GXJXJEZQMHRVGR-UHFFFAOYSA-N	360.391	2.125	10	10	FECE	
CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1	49152433	YQTIHDQOYSXSHG-UHFFFAOYSA-N	372.400	2.105	10	10	FECE	
Cc1cc(C)nc(O[C@H]2CC[C@H](NC(=O)c3cc(O)nc(O)c3)CC2)n1	238920467	SZRJMTHABWBCPO-HDJSIYSDSA-N	358.398	2.020	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC2([C@H](C)O)CC2)C1	620062278	VHLXXZABRVWVFA-HNNXBMFYSA-N	355.482	2.437	10	10	FECE	
C[C@H]1CN(c2ccc(CNC(=O)N(C)CCCCO)cc2F)C[C@H](C)O1	276482704	OKNXBLSAMMSTQO-GJZGRUSLSA-N	367.465	2.353	10	10	FECE	
CC(C)n1ncc2cc(/C=C/C(=O)N3CCCc4n[nH]cc43)c(O)nc21	280000130	BOZVZPQQJIQHNX-AATRIKPKSA-N	352.398	2.434	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)c1ccccc1-n1cnnn1	804737970	XONWOSDXCIOVIU-UHFFFAOYSA-N	374.198	2.060	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCc2nnc(C3CC3)n2C1	645664268	BFZVPHQSKXGTAI-AWEZNQCLSA-N	367.453	2.210	10	10	FECE	
COc1ccc(N2CC[C@H](CNc3ccnc(N4CCOCC4)n3)C2)cc1	819934031	BNWRSNCIWHURNI-MRXNPFEDSA-N	369.469	2.260	10	10	FECE	
O[C@@H](COc1ccc(N2CCCCC2)c(Cl)c1)CN1CCOCC1	817571316	PKHRJWJVTGIBMZ-OAHLLOKOSA-N	354.878	2.402	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC(c2ccccn2)=NO1	906857428	XSYJAKUGMIJCMM-SFHVURJKSA-N	352.394	2.066	10	10	FECE	
CCCN1CCCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CC1=O	588563759	JKNWIUWFDGXMQM-VURMDHGXSA-N	361.398	2.230	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)c1ccc(=O)n(CCCOC)n1	830141450	UECCMYGHAXQOOQ-UHFFFAOYSA-N	359.426	2.038	10	10	FECE	
COCCCN(Cc1c(O)cc(C)cc1Cl)[C@@H]1CCS(=O)(=O)C1	840909221	CQQPNEPUAROEEL-CYBMUJFWSA-N	361.891	2.380	10	10	FECE	
CN(C)c1ccc(CNC(=O)NCCCNCc2cccnc2)cc1F	841762263	VIGLVBNRPKLJQO-UHFFFAOYSA-N	359.449	2.266	10	10	FECE	
O=C(Cn1ccnc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	742244976	BLWLKTPAQVOZNF-UHFFFAOYSA-N	368.359	2.055	10	10	FECE	
COC(=O)CC1CC(NC(=O)NCc2cc(Br)ccc2O)C1	924932422	ARBIRADCTMYKIT-UHFFFAOYSA-N	371.231	2.296	10	10	FECE	
COC(=O)c1coc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)c1	753919165	UQLPBUMDAKOMPP-UHFFFAOYSA-N	365.392	2.386	10	10	FECE	
NC[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(F)cc1	852868517	HVUXXURDTRASKL-FQEVSTJZSA-N	371.456	2.146	10	10	FECE	
C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H](CC(F)(F)F)O1	852741779	KBGJLXFDKINTHO-BBRMVZONSA-N	373.419	2.411	10	10	FECE	
COC(=O)C1(CS(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)CC1	867270170	LSXIFLWPYVRMDY-UHFFFAOYSA-N	368.238	2.072	10	10	FECE	
Cc1cc(C2(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)CCOCC2)on1	860697074	MXYOCDNWGIYDIO-LBPRGKRZSA-N	360.410	2.190	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cn2c(n1)C[C@@H](C)CC2	868965987	HJYVRXCDRPZVAW-AWEZNQCLSA-N	371.437	2.377	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2C[C@H]3C(=O)OC[C@H]3C2)c1	863755060	YZRBZHQIIRLSNU-SJLPKXTDSA-N	352.390	2.152	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCn4cc(C)nc4C3)C2)cc1	862158414	GTEXHYXXJRHBJO-JKSUJKDBSA-N	354.454	2.158	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CCC[C@H]4C[C@H]43)nc12	1118465502	JISMJGGWMSLDOX-CYZMBNFOSA-N	359.382	2.091	10	10	FECE	
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1	785441269	CUCGXMSBCOLDHU-HNNXBMFYSA-N	369.465	2.164	10	10	FECE	
CCOC(=O)N1CC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1	897418904	QLRDFYFDBYIHKE-SNVBAGLBSA-N	350.396	2.273	10	10	FECE	
COC(=O)c1c(CNC[C@@H](OC)[C@@H]2CCOC2)c2cc(F)ccc2n1C	895225492	JIMFNFNSRLTAJP-SJKOYZFVSA-N	364.417	2.245	10	10	FECE	
COc1ccc(CNC(=O)NCc2cn(C)nc2C(F)(F)F)c(O)c1	793010664	PSRACEYQUGCCDI-UHFFFAOYSA-N	358.320	2.153	10	10	FECE	
COc1ccc(CNC(=O)c2cc(C)n(-c3nc(C)cc(C)n3)n2)c(O)c1	794388479	VQDVALWEHOINFN-UHFFFAOYSA-N	367.409	2.232	10	10	FECE	
CC(C)(C)OC(=O)N1CC=C(CNC(=O)Cc2ccc(O)c(O)c2)CC1	1155100737	RZAYGHKWPGQHKE-UHFFFAOYSA-N	362.426	2.324	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@]1(C(=O)OC(C)(C)C)CCCO1	1297562106	BKGNSEHFYRWKTN-LJQANCHMSA-N	370.442	2.385	10	10	FECE	
CCC/C=C\[C@H](O)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	1543070766	RHKITZCHETVMGL-RURPWVQCSA-N	363.477	2.301	10	10	FECE	
COCCN1C[C@@H](C(=O)NCc2cc(C)n(-c3ccccc3)c2C)CC1=O	1624075458	OXLDTDPEXVLWIH-SFHVURJKSA-N	369.465	2.205	10	10	FECE	
CC(C)(C)OC(=O)NCCn1cnc(C(=O)N2CCC(N=[N+]=[N-])CC2)c1	2124534171	HOPSGFRCGHXZTN-UHFFFAOYSA-N	363.422	2.323	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](CC(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)[C@@H](O)C1	2124534163	HLSZOYKJPASACG-MJBXVCDLSA-N	367.450	2.296	10	10	FECE	
COc1ccc(N(CC(=O)N2CCC[C@H](C(N)=O)C2)[C@H](C)C2CC2)cc1	154988524	VQTHNBVBKSDHMW-ZBFHGGJFSA-N	359.470	2.024	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](CNCc2ccc(O)c(O)c2)OCC12CC2	2129223031	WGFUXHPOZBLBBF-CQSZACIVSA-N	364.442	2.356	10	10	FECE	
CC(=O)N(C(=O)[C@H](NC(=O)NC1CC1)c1ccccc1)c1ccc(N)cc1	1873819256	BJPROAYPKPGSQU-GOSISDBHSA-N	366.421	2.351	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CCc3ccc(F)cc32)=C[C@@H]1O	2136288251	NCMKHAKWCCWWIH-HOCLYGCPSA-N	362.401	2.299	10	10	FECE	
CCS(=O)(=O)[C@H]1CCN(c2ccc([C@@H](C)N)c(Br)c2)C1	2179894673	RROQLJAEDCTZAA-PWSUYJOCSA-N	361.305	2.482	10	10	FECE	
CCCS(=O)(=O)CCN(C)c1cc(Br)c(CN)cc1F	2170432975	BDZPYUGSEWBBDO-UHFFFAOYSA-N	367.284	2.308	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CCn4nncc4C3)ccc(N)c2C1	2186608063	PWYDZJUKNHYSJZ-UHFFFAOYSA-N	370.457	2.174	10	10	FECE	
C[C@H]1C[C@@H](CNC(=O)c2cccc(O)c2O)CN1C(=O)OC(C)(C)C	2054420357	RUYCVQWXVLYSII-RYUDHWBXSA-N	350.415	2.473	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060619236	KOLQMQUFFNFCJP-UPJWGTAASA-N	353.423	2.170	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)OC(C)(C)C	2060611235	QWKOPJYJCADKCZ-AVGNSLFASA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2060617989	UIZHXPYWSLPXJZ-XQQFMLRXSA-N	353.423	2.048	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H](CN=[N+]=[N-])C1)C1COC1	2060638353	VXTQDSSPKJGHBY-YPMHNXCESA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@](O)(CNCc2cc(F)ccc2O)C1	2081460798	ULXQKGDQVZEEAZ-GOSISDBHSA-N	354.422	2.383	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Nc1ccc(N)cc1	2106695406	XMTGFDLSCMQTLO-LSDHHAIUSA-N	362.430	2.121	10	10	FECE	
[N-]=[N+]=NCCCN[C@@]1(C(=O)O)CN(Cc2ccccc2)[C@]2(CCOC2)C1	2100065856	CHBOXXAXCUYFQH-QZTJIDSGSA-N	359.430	2.165	10	10	FECE	
COc1cccc(CNCC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1O	2208902922	YDBFALXKRISDRE-IBGZPJMESA-N	366.458	2.252	10	10	FECE	
C[C@H]1O[C@]2(C(=O)NCc3ccccc3O)C[C@@]1(NC(=O)OC(C)(C)C)C2	2265986215	SXBJRHIRHNGADU-QQGDVQBRSA-N	362.426	2.223	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2278989700	SDAHAEBXFKGLQI-XREXNNHRSA-N	365.434	2.360	10	10	FECE	
O=C1NC(=O)N(C2CCCCC2)C(=O)C1=CNc1ccc(C(=O)O)cc1	2297533912	OQJNVRPPBAREKS-UHFFFAOYSA-N	357.366	2.092	10	10	FECE	
C[C@H](CNC(=O)C=Cc1ccc(N2CCOCC2)cc1)Cn1ccnc1	2297771563	HPSWBCCNZFLXSL-QGZVFWFLSA-N	354.454	2.185	10	10	FECE	
CC(C)Oc1cccc(C=CC(=O)NCCN2C(=O)CSC2=S)c1	2320752723	VBQSQECXHHOVBU-UHFFFAOYSA-N	364.492	2.464	10	10	FECE	
COc1ccc([C@@H](C)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(O)c1	2310412574	INUBTTRNQKSKGM-DJSGYFEHSA-N	352.431	2.032	10	10	FECE	
C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN(C(=O)OC(C)(C)C)C1)c1ccccc1O	2332173080	QEMGEXRHFRJLJL-MGPQQGTHSA-N	364.442	2.187	10	10	FECE	
CN(C)c1ccc(CNC(=O)NCC(=O)Nc2ccc(F)cc2)cc1F	102010439	GVQBKNLXJWMBKD-UHFFFAOYSA-N	362.380	2.469	10	10	FECE	
CC(C)(C)CCN1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1	301681757	JZXVJSMLUMWSTM-UHFFFAOYSA-N	362.430	2.484	10	10	FECE	
CC(C)CS(=O)(=O)N1CCC(NCc2ccc3c(c2)CCN3C)CC1	181110201	JDDMOKZEBBRZMB-UHFFFAOYSA-N	365.543	2.219	10	10	FECE	
O=C(NC1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C1)C1CCC1	188805261	WXJQLURZVJFELE-UHFFFAOYSA-N	356.470	2.097	10	10	FECE	
CO[C@@H](C)[C@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	188870590	BEYBRJSCLSHACV-STQMWFEESA-N	353.438	2.009	10	10	FECE	
O=Cc1ccc(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)[nH]1	92643596	PVWGMDVJIQSOFU-UHFFFAOYSA-N	366.465	2.289	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)NC[C@H](CO)c1ccccc1	255544297	ZGIWWRQPARKWNB-NHHWLVAYSA-N	366.461	2.429	10	10	FECE	
COc1cc(O)c(CN2CCOC[C@H]2c2c(C)nn(C)c2C)cc1OC	371444010	VEYOFGFHLZEDHB-HNNXBMFYSA-N	361.442	2.333	10	10	FECE	
COC[C@H](NC(=O)NCc1cc(Br)ccc1O)[C@@H]1CCCO1	805390217	FYDNZFYDEZEWDC-JSGCOSHPSA-N	373.247	2.148	10	10	FECE	
Nc1cc2c(cc1N1C[C@H]3CC[C@H]1[C@H](NC(=O)C(F)(F)F)C3)OCCO2	2163159917	GKXXNCWRWQEPSR-WCQGTBRESA-N	371.359	2.076	10	10	FECE	
CCN1CCN(c2ccc(CNC(=O)/C=C/[C@H]3CCCO3)cc2F)CC1	819250881	JEAQHNUUAUULHB-DBWMJRBXSA-N	361.461	2.319	10	10	FECE	
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1csc(Cc2ccc(N)cc2)n1	817918201	WYBCDOQQTTWVQL-YPMHNXCESA-N	358.467	2.042	10	10	FECE	
CN1CCC2(CC1)CN(C(=O)NCc1ccc3c(c1)CCCN3C)CCO2	826019878	MJYGTEPVRVIPKD-UHFFFAOYSA-N	372.513	2.075	10	10	FECE	
COC[C@]1(C(=O)OC)CCCN1Cc1cc(Br)ccc1O	827489434	QNIFYRZPENHKPO-HNNXBMFYSA-N	358.232	2.309	10	10	FECE	
CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1	730077915	JBWLAVHTGOBKAB-BLLLJJGKSA-N	367.490	2.456	10	10	FECE	
CO[C@@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCCC1	822938829	ZCJOAQXXSDJUIY-IEBWSBKVSA-N	373.497	2.210	10	10	FECE	
Cc1cc(C(=O)N2CCN(CCO)C[C@@H]2C)c(C)n1-c1ccc(F)cc1	837192587	RQUIHIHLVOKDAW-HNNXBMFYSA-N	359.445	2.372	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3CC[C@H](C(=O)O)C3)C2)cc1	831047778	WKQIPAVLOOGYIK-QLFBSQMISA-N	361.442	2.074	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1	841776662	VVLPKABMCZVRFI-ZMZPIMSZSA-N	371.393	2.075	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)c3ccc(C(C)=O)cc3)C2)cc1	849416080	KIZBUXOFMZTREF-INIZCTEOSA-N	374.462	2.455	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=S)NCC3CCN(C)CC3)C2)cc1	849270513	HDLLUGMGWUPWBG-INIZCTEOSA-N	362.543	2.080	10	10	FECE	
Nc1ccc(NC(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)cc1	926143806	PGYWCITYVHQRDN-UHFFFAOYSA-N	366.421	2.458	10	10	FECE	
Cc1cc(C)c([C@H](C)N[C@@H]2CCN(c3ccc4nncn4n3)C2)c(O)c1	858490139	UNGCMBNLJGJPJD-LSDHHAIUSA-N	352.442	2.376	10	10	FECE	
C[C@H]1C[C@@H]1c1noc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1	865909476	RJMRUSJNLDLNBI-AAEUAGOBSA-N	360.389	2.099	10	10	FECE	
COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1cc2c(cc1O)CCCC2	768461895	HFLLUQINEXXSOD-FPAYPSAMSA-N	373.449	2.196	10	10	FECE	
Nc1c(C(=O)OCCn2ccnc2)ccc2c1C(=O)c1ccccc1C2=O	771867259	XJZCSNYZBDSJNL-UHFFFAOYSA-N	361.357	2.098	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NC1CCN(C(=O)CC(F)(F)F)CC1	779512369	WPYAROYJRJRDFP-RQOWECAXSA-N	372.343	2.171	10	10	FECE	
COC(=O)c1c(CN2CCC(NC(C)=O)CC2)c2cc(F)ccc2n1C	893982011	ZOKNWLLLZYDKNK-UHFFFAOYSA-N	361.417	2.205	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc([N+](=O)[O-])ccc1O	1162539367	CQDSCUOBGHAOQB-UHFFFAOYSA-N	374.349	2.212	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNCc2ccc(F)c(F)c2O)C[C@@H]1O	2116208944	OUWQWRAZNMMBAM-HONMWMINSA-N	372.412	2.424	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cncc(Cl)c1	1447348414	NLOWGGGMQOMMAL-ZDUSSCGKSA-N	364.785	2.050	10	10	FECE	
C[C@H]1CCc2[nH]nc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2C1	1291756090	NVCGVXLKLIHPNG-ZDUSSCGKSA-N	372.444	2.440	10	10	FECE	
O=C(NC1CCOCC1)c1ccc(NC(=O)c2cccc(O)c2O)cc1	1465930569	WXHFTNUZQVUAFW-UHFFFAOYSA-N	356.378	2.259	10	10	FECE	
CC(C)c1cc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)no1	1535157731	YJDPFTTTZQQFJK-UHFFFAOYSA-N	370.453	2.430	10	10	FECE	
COc1ccc(CNC[C@H](O)CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]32)cc1C	1482753601	VSJBVFFJVNMLEJ-CADBVGFASA-N	360.498	2.397	10	10	FECE	
COc1ccc(N2CCN([C@@H]3C[C@@H]4CCCC[C@H]4NC3=O)CC2)c(OC)c1	1654564716	NLMWCKSZBCDCLA-KVSKMBFKSA-N	373.497	2.273	10	10	FECE	
Cc1ccc(C)n1-c1ccc(C(=O)NCC(C)(C)CS(N)(=O)=O)cc1	1587415517	QLOOHDYYHGVOTK-UHFFFAOYSA-N	363.483	2.139	10	10	FECE	
C[C@H](N[C@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1)c1ccc(O)cc1O	1918666900	BDMUTYKACHZDMQ-NWDGAFQWSA-N	352.431	2.119	10	10	FECE	
COc1ccc([C@H](C)NCC2(O)CN(C(=O)OC(C)(C)C)C2)c(O)c1	1918691383	AXKJMVKILVFEAE-LBPRGKRZSA-N	352.431	2.033	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)c1O	2139758941	FTVXYOFFSOBFOH-HNNXBMFYSA-N	364.442	2.200	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@@]1(C)CNC(=O)O1	1951834454	TWIBKUWLXKAKBT-CXAGYDPISA-N	352.387	2.032	10	10	FECE	
C[C@H](N)c1ccc(N2CCC(S(C)(=O)=O)CC2)c(Br)c1	312854008	QUPVNGITTMTUJT-JTQLQIEISA-N	361.305	2.482	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCOCC[C@H]1C(=O)N1CC[C@H](N=[N+]=[N-])C1	2060636834	CASGADLZDSKRAS-YNEHKIRRSA-N	353.423	2.218	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2060634182	WOOCIJDLODDCFY-XQQFMLRXSA-N	353.423	2.170	10	10	FECE	
CN(CC(=O)Nc1ccc(N)cc1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12	2106745026	LZISPNXENLJVRP-HUUCEWRRSA-N	360.458	2.004	10	10	FECE	
CN(C)c1ccc([C@@H](O)[C@]2(C(=O)O)CCN(C(=O)OC(C)(C)C)C2)cc1	2108577393	AVYNMNJXBLHHAW-BEFAXECRSA-N	364.442	2.498	10	10	FECE	
CCCS(=O)(=O)CCN(C)Cc1cccc(Br)c1O	2114148338	QUXPZFKYRUVOAK-UHFFFAOYSA-N	350.278	2.411	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)NCC1(CN=[N+]=[N-])CC1)[C@@H]1CCOC1	2259890222	SAYRIOWMUQBEHO-GFCCVEGCSA-N	353.423	2.219	10	10	FECE	
CC[C@H](Oc1cccc(C=C2SC(=S)N(CCO)C2=O)c1)C(=O)O	2314929495	NMHNZKKRVAPJQJ-LBPRGKRZSA-N	367.448	2.122	10	10	FECE	
CN1CCCc2cc(CNC(=O)NCc3nnc4ccccn34)ccc21	57661987	GAVADWPHBNACRW-UHFFFAOYSA-N	350.426	2.111	10	10	FECE	
C[C@H](OC(=O)CCn1c2c(c3ccccc31)CCCC2)[C@@H]1NC(=O)NC1=O	1848815701	FYMAYUKRHFZSKZ-SGTLLEGYSA-N	369.421	2.050	10	10	FECE	
NS(=O)(=O)c1ccc(CNCc2cccc(Br)c2O)cc1	48794729	QOBXXMRIWXHPTE-UHFFFAOYSA-N	371.256	2.092	10	10	FECE	
CCOCc1cc(CNCc2ncccc2S(C)(=O)=O)ccc1OC	278745700	MVVKGHBEVFEHQW-UHFFFAOYSA-N	364.467	2.320	10	10	FECE	
COC[C@@H](NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1	804027568	FLHKGJAKUXPMEU-DNVCBOLYSA-N	369.465	2.434	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H]2CN(CC(=O)Nc3ccc(N)cc3)C[C@@H]2C1	2168784521	UKTZVHVCZLVARU-LSDHHAIUSA-N	374.485	2.396	10	10	FECE	
Cc1cc(Br)cc(CN(C)[C@@H]2CCN3CCO[C@H]2C3)c1O	294675421	AVQBZGUTVTXTLG-CABCVRRESA-N	355.276	2.368	10	10	FECE	
CCN1CCN(c2ccc(CN[C@H]3CCC(=O)NC3(C)C)cc2F)CC1	813861532	VIASPYNEYRADFB-SFHVURJKSA-N	362.493	2.114	10	10	FECE	
CCc1ncc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)o1	836633795	OGVQIMCCLRVNOF-UHFFFAOYSA-N	358.442	2.415	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@](C)(F)C3)CC2)cc1	830212386	OIGIPPNYIMYDSU-ICSRJNTNSA-N	365.493	2.002	10	10	FECE	
CCc1onc(C)c1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	917832976	JPVQMLBHPDUBQO-OAHLLOKOSA-N	370.453	2.177	10	10	FECE	
O=C(O)/C=C\c1ccc(N2CC[C@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1	844215267	GLJQSIQYJQOCSO-GOUNYYSDSA-N	360.288	2.442	10	10	FECE	
CCOc1cccc(CNC[C@H]2CS(=O)(=O)c3ccccc3O2)c1O	842722325	PFPDLBMTUOTSFA-AWEZNQCLSA-N	363.435	2.115	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1c(O)cccc1F	923337806	TWYOHQORUNWHPI-UHFFFAOYSA-N	373.428	2.492	10	10	FECE	
CCOC(=O)C[C@H](CO)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C	854539790	NYRXQBYTKPXFMX-QGZVFWFLSA-N	358.438	2.067	10	10	FECE	
COC(=O)c1ccc(CN(C)c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)cc1	757509752	ZPVFXUFZPANWAN-UHFFFAOYSA-N	371.349	2.349	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CCN(CC4CC4)C3)C2)cc1	852126992	KDLFBQFTTGEXID-IAGOWNOFSA-N	358.486	2.057	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN3CCCCC[C@@H]3C)CC2)cc1	754044077	RMZMETJLHYBNQE-AZUAARDMSA-N	361.530	2.443	10	10	FECE	
C[C@H](NCCc1nnnn1C)c1cc(Br)cc(Cl)c1O	756677018	NNYGHCGEMSGHLG-ZETCQYMHSA-N	360.643	2.225	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(OC(F)F)nc1	930523568	PPHRWPKSHRUWIC-UHFFFAOYSA-N	363.364	2.450	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@@H](O)[C@@H]1CCCO1	862656142	ZCVUAZFZUMSGCV-MOPGFXCFSA-N	356.422	2.176	10	10	FECE	
CO[C@@H]1CN2C(=O)N([C@@H](C)c3ccc(N4CCOCC4)cc3)C(=O)[C@@]2(C)C1	865301815	PNDMUGVEGFNZAT-GZRFBZBPSA-N	373.453	2.026	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1OCC[C@H]1C(=O)N1Cc2cccc(O)c2C1	871205654	JEVJBMRTNQHEDT-CZUORRHYSA-N	362.426	2.164	10	10	FECE	
COc1cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)nn1C	775914274	SEDGTXQQGMBATF-UHFFFAOYSA-N	361.471	2.304	10	10	FECE	
COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC[C@@H](C)C(C)C)CC2)cc1	778286842	BWYTUWAJJNFKFS-DOOKAGJSSA-N	373.497	2.308	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CCN(CCO)C(C)(C)C2)c1	783714121	LUACQSZQGAYCJB-UHFFFAOYSA-N	357.292	2.352	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cnn(-c2ccncc2)c1	797630039	FPZVUNXCBOIMQR-LBPRGKRZSA-N	353.382	2.431	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)N3CC(O)(c4ccnn4C)C3)c2C)c1	1175614982	CHKGRXCVXGSGQK-UHFFFAOYSA-N	364.449	2.480	10	10	FECE	
C[C@@H](CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@H]1CCCO1	1350450175	XTMOSPSTBAVIGH-HNAYVOBHSA-N	373.497	2.210	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(C2CCOCC2)nn1C	1520872225	DTNNQDDHMXXOOL-UHFFFAOYSA-N	370.453	2.419	10	10	FECE	
COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1ccc(O)c(O)c1	1540323980	SHTQDMOZBGQDQO-UHFFFAOYSA-N	361.350	2.083	10	10	FECE	
O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc(F)c(O)c1	1626619453	REKSRQOLDBWMCZ-UHFFFAOYSA-N	364.398	2.018	10	10	FECE	
COc1ccc(CNC[C@H](O)CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1C	1716088313	YHZRAWRKPNSPBP-XGXHKWSGSA-N	358.482	2.173	10	10	FECE	
NC(=O)c1ccc(CN(C(=O)Cc2ccc(O)c(O)c2)C2CC2)c(F)c1	1556818697	TWRGMZDMVWHXBE-UHFFFAOYSA-N	358.369	2.070	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc3c(c2)CCCO3)[C@H](O)C1	1621039118	UQNBCNDRZACDKV-DLBZAZTESA-N	362.470	2.472	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)NCC3(CN=[N+]=[N-])CC3)[C@@H]2C1	2124535291	LTCAMEMOWYXRFM-AVGNSLFASA-N	365.434	2.075	10	10	FECE	
C[C@@H](N=c1nc(CCNC(=O)OC(C)(C)C)[nH][nH]1)c1ccc(F)cc1O	2126782859	BFLGDGRSGBWCLT-SNVBAGLBSA-N	365.409	2.312	10	10	FECE	
C[C@H](N[C@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1)c1cc(O)ccc1O	1918672111	QWYWYXMYVPYJQO-NWDGAFQWSA-N	352.431	2.119	10	10	FECE	
Cc1cccc(CNC(=O)[C@@]2(C)COC[C@@H]2NC(=O)OC(C)(C)C)c1O	2139743150	ZOJLPYCUDLIAOD-LIRRHRJNSA-N	364.442	2.247	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](CNC(=O)c1cc(O)c(O)c(O)c1)C1CCC1	2137690889	CZIJNEACYRIQMD-GFCCVEGCSA-N	366.414	2.227	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NCc2cc(N)ccc2O)C1	2044674040	CEPXLXFHYIQGKI-VDBVYFBLSA-N	369.487	2.487	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CC[C@H](O)c3ccccc32)=C[C@@H]1O	2188063101	FHXNJCFSXIILGK-PVAVHDDUSA-N	374.437	2.041	10	10	FECE	
CCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(O)c(O)c(O)c1	2068617241	HSTVLJFRNRIMOD-LLVKDONJSA-N	354.403	2.227	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)COc2ccc(N)cc2)C1	2106235452	OHAKLRRCFFYIAK-HIFRSBDPSA-N	363.458	2.457	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](NCc2ccc(O)c(O)c2O)C1	2219136130	BFKMEXJNQVGTAK-VXGBXAGGSA-N	356.394	2.241	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)N1CCC[C@H](N=[N+]=[N-])C1)[C@H]1CCOC1	2259903947	ZKLLCQXVIFGMAF-STQMWFEESA-N	353.423	2.314	10	10	FECE	
O=C(O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(F)cc2)SC1=S	2293205509	AVVSOOIRSXQVCX-JTQLQIEISA-N	369.395	2.345	10	10	FECE	
O=C1N=C(N2CCOCC2)SC1=Cc1ccc(O)c(Br)c1	2296946560	RNKDVYCYRGDGJM-UHFFFAOYSA-N	369.240	2.457	10	10	FECE	
Cc1cc(C=C2SC(=S)N([C@@H](C(=O)O)[C@@H](C)O)C2=O)ccc1F	2323823376	BGQCMIOJYAXTMR-PRHODGIISA-N	355.412	2.169	10	10	FECE	
COc1ccc(CN2C(=O)NC(=O)/C(=C/c3ccccc3OC)C2=O)cc1	6008975	VTBKCZVHGPHBEE-WJDWOHSUSA-N	366.373	2.366	10	10	FECE	
CCOc1cccnc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	176116221	GWDLAMYDDFGHQT-UHFFFAOYSA-N	359.401	2.386	10	10	FECE	
O=S(=O)(c1cccc(F)c1)N1CCN(Cc2ccccc2O)CC1	179553023	FJLNQKAUALNYOC-UHFFFAOYSA-N	350.415	2.038	10	10	FECE	
CO[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	191258455	FOVILHVSILDTOI-LSDHHAIUSA-N	351.422	2.029	10	10	FECE	
CC(C)CS(=O)(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92558758	ZNJZGCCMACZALY-UHFFFAOYSA-N	365.543	2.294	10	10	FECE	
CC[C@H](CCO)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92284025	CALJAECFKXDJDD-LJQANCHMSA-N	374.529	2.179	10	10	FECE	
CCCCN(C)S(=O)(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	246084165	HQPSYGOOQDMVAS-MRXNPFEDSA-N	356.488	2.350	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3C[C@H](OC)C[C@H]3C(=O)O)c2C)cc1	262143461	MITZHCHRRRPGPH-AEFFLSMTSA-N	372.421	2.417	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H](C)N(C)C)C1	443945324	HAHQQVVLAWXEBY-MRXNPFEDSA-N	356.514	2.474	10	10	FECE	
O=C1[C@@H]2[C@H]3CCC[C@@H]3CN2C(=O)N1Cc1ccc(N2CCOCC2)cc1	277450467	STWQREWGXRLOOT-NJAFHUGGSA-N	355.438	2.086	10	10	FECE	
O[C@@H]1[C@H](CNCc2ccc(N3CCOCC3)cc2)CCC12CCOCC2	374685514	DVBBPOQPVPAZKL-AZUAARDMSA-N	360.498	2.181	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC([C@H](C)O)CC1	297584158	BYKUHRQBLLKDSC-HNNXBMFYSA-N	362.470	2.140	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)C(=O)Nc1ccsc1	807387404	JCFDCSFDXJXUDN-UHFFFAOYSA-N	355.213	2.471	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1	808540955	LLZYZOINJJGMHV-ZUZCIYMTSA-N	372.204	2.214	10	10	FECE	
COc1cccc(O)c1CN[C@H]1CCN(C(=O)COc2ccccc2)C1	800898933	CSCMHRMTAHAYKH-HNNXBMFYSA-N	356.422	2.170	10	10	FECE	
Cn1c(C(=O)NCc2c(O)ccc3c2CCCC3)c2n(c1=O)CCCC2	826137055	LWNFBUXCFJJDOY-UHFFFAOYSA-N	355.438	2.038	10	10	FECE	
COC(=O)[C@@H]1CC[C@H](C(=O)NCc2cccc(Br)c2O)C1	839739104	GAOSDWWIPGMYOA-VHSXEESVSA-N	356.216	2.360	10	10	FECE	
CNC(=O)Cc1nc(CN2CCCc3cc(OC)cc(OC)c32)cs1	839656456	MAEALVSCXUCVHQ-UHFFFAOYSA-N	361.467	2.402	10	10	FECE	
Cc1cc(C(=O)Cn2cnnc2[S@](C)=O)c(C)n1-c1ccc(F)cc1	732717955	MTBXOYUCJQUHQM-VWLOTQADSA-N	360.414	2.445	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1CCN	846672793	LDSXLJCULWHJFZ-UHFFFAOYSA-N	353.466	2.297	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1	926655741	ZIZDUUCBQWYWPC-QRQLOZEOSA-N	361.486	2.477	10	10	FECE	
CCOC(=O)[C@@H]1Cc2cccc(F)c2N(C(=O)/C=C\c2cnccn2)C1	844640794	GUJPTGSPTGPANZ-LMVHVUTASA-N	355.369	2.398	10	10	FECE	
O=S(=O)(NCc1c(O)cccc1F)c1cccc2c1OCCCO2	921451938	ZCPQLLKUZHBDJJ-UHFFFAOYSA-N	353.371	2.171	10	10	FECE	
C[C@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccccc1O	827973805	YOJHVNFOXIBLQW-WFASDCNBSA-N	350.415	2.205	10	10	FECE	
Cc1ccc(CC2CN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C2)cc1	855864246	JNKBLUGIFWEWFO-UHFFFAOYSA-N	374.462	2.387	10	10	FECE	
CCC(=O)N1CCC[C@H](C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	855230541	DWXNIQYMAWVZIJ-HOTGVXAUSA-N	359.470	2.039	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1	922916489	VKQLJNPESGBFNF-JZGRTCEGSA-N	361.486	2.095	10	10	FECE	
O=C(NCc1ccccc1CN1CC[C@H](O)C1)NCc1c(O)cccc1F	921884700	MCXRTAWTQCOISJ-INIZCTEOSA-N	373.428	2.097	10	10	FECE	
CCOC(CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)OCC	852271751	GSGCJBFLEKKWDX-HNNXBMFYSA-N	365.474	2.362	10	10	FECE	
C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)c2ncnn21	851991886	WMDPFRJMRWHZCB-XJKSGUPXSA-N	372.498	2.337	10	10	FECE	
Cc1cc(CNC(=O)NC[C@@H]2COCCN2C)c(C)n1-c1ccccc1	858837219	LGQDPKMVGVPICU-LJQANCHMSA-N	356.470	2.224	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cccc(-n4cncn4)c3)C2)cc1	855232038	PYWMDHAASKDXJE-INIZCTEOSA-N	363.421	2.285	10	10	FECE	
C[C@H](NC(=O)NCc1ccnc(N2CCOCC2)c1)c1ccccc1O	868029064	GBCNZVXEOCFOMI-AWEZNQCLSA-N	356.426	2.184	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CC[C@@H](C)S(=O)(=O)CC2)c1	763626090	LFMAHTLWWVTDDI-LLVKDONJSA-N	362.289	2.472	10	10	FECE	
C[C@H](NC[C@]12COCCN1C(=O)OC2)c1ccc(Br)cc1O	866521073	KQVMLQSPOXOTEL-ZUZCIYMTSA-N	371.231	2.027	10	10	FECE	
Cc1ccc(-n2c(C)cc(C(=O)CN3CC[C@@H](NC(N)=O)C3)c2C)cc1F	762925644	LNQUXQVHEIFSKK-OAHLLOKOSA-N	372.444	2.467	10	10	FECE	
C[C@H](NC(=O)C1=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O	1877573989	QYAJSZKCUMPYOO-PEYYIBSZSA-N	362.426	2.154	10	10	FECE	
Cc1ccc(CN(CCO)CC(=O)N(C)Cc2ccc(N(C)C)cc2)o1	796559669	WQKSMEMXPSEJLG-UHFFFAOYSA-N	359.470	2.107	10	10	FECE	
COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)ccc1O	797819394	IBXITDXPPYXWGV-UHFFFAOYSA-N	354.340	2.118	10	10	FECE	
COC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c(C)cc1F	793349574	RJFVVDFMNZXXBN-UHFFFAOYSA-N	367.354	2.450	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@@H]1C[C@@H]2CCC[C@H]21)c1ccc(N2CCOCC2)cc1	1332656447	LCIOHHFVTYXKNB-IAAVTCLWSA-N	371.481	2.005	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\c1cncc(C)c1	1254760985	INIBBMOXBAMPND-WRLNGNIRSA-N	370.405	2.105	10	10	FECE	
C[C@@H]1COCC[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	1342766191	GIIZOTWZORCFJS-APWZRJJASA-N	373.497	2.177	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cnn4c3NC[C@@H](C)C4)CC2)cc1F	1346675968	CPFRIGVCOBPGBG-CYBMUJFWSA-N	373.432	2.055	10	10	FECE	
CC(C)[C@@H](C(=O)NCc1c(O)cccc1O)n1nnc(-c2ccccc2)n1	1472063700	NTDACKQGGYCDSY-KRWDZBQOSA-N	367.409	2.265	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)cc1	1623391859	VDQMHHORKCDBEI-LLVKDONJSA-N	371.319	2.132	10	10	FECE	
COc1cc(N2CC(=O)N(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC	1559141731	HLRQYUCUYRCKFY-UHFFFAOYSA-N	357.366	2.418	10	10	FECE	
Cc1cc(CC(=O)N2CC(N3CCCC3=O)C2)c(C)n1-c1ccccc1	1635945687	FMTWQRMXHOZPRW-UHFFFAOYSA-N	351.450	2.470	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CCCN(CC(=O)N2CCC[C@H](N=[N+]=[N-])C2)C1	2124505735	PCEKGKDLSLNRRL-KGLIPLIRSA-N	366.466	2.277	10	10	FECE	
NC(=O)c1ccc(/N=N/N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1	1860480919	KVNRUFITEVTZPB-QURGRASLSA-N	367.409	2.331	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(CO)(CNCc2cccc(O)c2O)CC1	2131720998	QELRBZXCGNVBAU-UHFFFAOYSA-N	366.458	2.197	10	10	FECE	
C[C@H](N=c1[nH]nc(CCNC(=O)OC(C)(C)C)o1)c1ccc(O)cc1O	2138817516	KKDYLSMHENSORF-JTQLQIEISA-N	364.402	2.143	10	10	FECE	
C[C@@H]1C(NC(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)[C@H]1C	2136242995	CLYQPCPDAVFRCN-GVXVVHGQSA-N	364.442	2.304	10	10	FECE	
CN(C)Cc1cc([C@@]2(C(=O)O)C[C@H]2NC(=O)OC(C)(C)C)ccc1O	1952905957	HYOKBUUBNRHGKF-KDOFPFPSSA-N	350.415	2.073	10	10	FECE	
C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C	2162947649	JEERWRFSAYAXHJ-UHIISALHSA-N	372.391	2.127	10	10	FECE	
CCc1cccc(CNCC2(O)CC(NC(=O)OC(C)(C)C)C2)c1O	2045140838	VQQYGZUAYIQZQR-UHFFFAOYSA-N	350.459	2.462	10	10	FECE	
CO[C@H]1C[C@@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060614440	CJNUYXQGQQIJLF-AGIUHOORSA-N	353.423	2.170	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)Nc2ccc(N)cc2)CCO1	2106694644	FGQGEVAURBKZCY-SWLSCSKDSA-N	364.446	2.415	10	10	FECE	
CN(CC(=O)Nc1ccc(N)cc1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1	2106768206	VPBAJYFXQLLKOX-AWEZNQCLSA-N	362.474	2.396	10	10	FECE	
CCOc1ccc(NC(=O)OC(C)(C)C)cc1COc1nnc(=N)[nH]n1	2226140553	BUPHRTTZZHURML-UHFFFAOYSA-N	362.390	2.004	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CC4(CCC(=O)N4)C3)ccc(N)c2C1	2238022694	HPFNZIGGCLSEJL-UHFFFAOYSA-N	372.469	2.031	10	10	FECE	
CC(C)c1ccc(N2C(=O)C(=CNN3CCCCC3)C(=O)NC2=S)cc1	2296124871	YTMFVBROUBYZAW-UHFFFAOYSA-N	372.494	2.432	10	10	FECE	
CCOC(=O)c1ccc(N2NC(=O)C(=Cc3ccccc3O)C2=O)cc1	2297321518	LPRFWTGTGXAHPR-UHFFFAOYSA-N	352.346	2.030	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1OC	2315987217	PCNDLSRDIGSQRM-CHWSQXEVSA-N	355.439	2.417	10	10	FECE	
Cc1ccc(CNS(=O)(=O)[C@H]2CC2(F)F)c(O)c1Br	2352931769	CWHZFMYZMCDVGZ-QMMMGPOBSA-N	356.188	2.290	10	10	FECE	
Cc1nc(Cc2noc(/C=C/c3ccc(N4CCOCC4)cc3)n2)no1	109509547	OYDAAZLCMUVDHA-QPJJXVBHSA-N	353.382	2.359	10	10	FECE	
COC(=O)CN1C(=O)N/C(=C\c2cc(C)n(-c3cccc(F)c3)c2C)C1=O	33782156	YPPPNLQKNRUVTQ-PXNMLYILSA-N	371.368	2.299	10	10	FECE	
O=C1N[C@@H](CF)C(=O)N1[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	287772559	RJKFUERILJZFCG-YPMHNXCESA-N	357.332	2.147	10	10	FECE	
COc1ccc(O)c(CNC(=O)Nc2cn(Cc3ccccc3)nn2)c1	801732434	KVLVHVZPCITSOZ-UHFFFAOYSA-N	353.382	2.362	10	10	FECE	
COCC1(C(=O)NCc2cc(Br)ccc2O)CCOCC1	811524007	UYLSHONXQDKXCN-UHFFFAOYSA-N	358.232	2.214	10	10	FECE	
CC[C@H](CNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)OC	811969376	XZZYYENWAZCMLF-HXUWFJFHSA-N	374.529	2.443	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc3c(c2)CCC3=O)c1	835120346	YIXWMMVTUGNEMI-LLVKDONJSA-N	368.389	2.346	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CCn2cc(C)nc2C1	839339578	NACKJYDWHZWAKQ-UHFFFAOYSA-N	370.453	2.068	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CNCCC1(F)F	841707351	RIZIKAUEFWCHEP-HNNXBMFYSA-N	370.469	2.036	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)N2CCOc3c(C)cc(C)cc32)c1	844895683	CWRQIWSLJDEBKL-SNAWJCMRSA-N	351.406	2.497	10	10	FECE	
Cn1cnnc1-c1cccc(NS(=O)(=O)c2cc(F)cc(F)c2O)c1	753020628	TWXCWRASJHZTAX-UHFFFAOYSA-N	366.349	2.267	10	10	FECE	
O=C(NCc1cc(NC(=O)[C@@H]2CCCCO2)ccc1O)[C@@H]1CCCCO1	923121800	LBJJHBVWAUKXOD-IRXDYDNUSA-N	362.426	2.085	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)/C=C/COC3CCOCC3)C2)cc1	869228967	QLKCAWZBCSXXFB-KZSQQDEKSA-N	360.454	2.142	10	10	FECE	
Cc1ccc(C(=O)N2CN(C)C(=O)[C@H]2C)cc1-n1c(C)cc(C=O)c1C	862116251	LYTOSSAUTOWVQJ-OAHLLOKOSA-N	353.422	2.475	10	10	FECE	
Cc1cc(CCN2C(=O)[C@@H]3C[C@@H](O)CN3C2=O)c(C)n1-c1ccccc1	760973863	ZYGLOCQCQVMUMB-MSOLQXFVSA-N	353.422	2.034	10	10	FECE	
CC(=O)NC[C@H](C)OC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	774156014	FQMNRPLZQCPMMX-HNNXBMFYSA-N	371.481	2.476	10	10	FECE	
Cc1cc(C(=O)CN2CCN(CCO)[C@H](C)C2)c(C)n1-c1ccccc1	778356413	NMUVYLHKFQWAKY-QGZVFWFLSA-N	355.482	2.275	10	10	FECE	
C[C@@]1(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C[C@@H]2C[C@@H]2C1	894593366	SDGKBBKGKGZROZ-LFUKPOHLSA-N	355.482	2.441	10	10	FECE	
CN(C)[C@@H]1CCOc2c(NS(=O)(=O)c3cccc4nonc34)cccc21	788492251	SHFFQSAXQCYNAY-CQSZACIVSA-N	374.422	2.409	10	10	FECE	
CCOc1ccc(N2CCN(C(=O)/C=C\COC3CCOCC3)CC2)cc1	1329378502	NBNPAFVNLVHPOJ-ARJAWSKDSA-N	374.481	2.486	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H]1CCOC1(C)C	1347715268	DYHCXRBUCRXWHQ-MRXNPFEDSA-N	361.486	2.032	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN3CC[C@H]4CC[C@@H](C4)C3)CC2)cc1	1473833175	CJJLSCUJJDXSKZ-DYXWJJEUSA-N	373.541	2.300	10	10	FECE	
CCC[C@](C)(CO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1471543744	IVPRROXHRZAJQK-PKOBYXMFSA-N	350.507	2.206	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)[C@@H](O)CNC(=O)OC(C)(C)C	1626161367	ZVEZIQFQPWLSIC-INIZCTEOSA-N	366.458	2.407	10	10	FECE	
CNC(=O)N[C@@H]1CCN(C(=O)c2ccccc2-n2c(C)cc(C=O)c2C)C1	1556133082	ALJAUEGEPODGDN-MRXNPFEDSA-N	368.437	2.050	10	10	FECE	
CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1	1628667030	OIQMYZQYZYBYKB-UHFFFAOYSA-N	368.842	2.274	10	10	FECE	
COCCNc1nc(CC(=O)N[C@H](C)c2cc(OC)ccc2O)cs1	1622778977	DBIXZZYAJZMQKG-LLVKDONJSA-N	365.455	2.336	10	10	FECE	
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(O)cc1O	1630306929	PYPIYSBRZMVVJH-AWEZNQCLSA-N	368.430	2.032	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C[C@H]1CCCO1)C(=O)NCc1ccccc1O	2124256315	CYRDECOKRQMWAO-HUUCEWRRSA-N	364.442	2.471	10	10	FECE	
CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)c1c(F)ccc(O)c1O	1638507398	SCWQDPHRRCTHEM-NSHDSACASA-N	367.398	2.219	10	10	FECE	
O=C(Cc1nc(C2CCOCC2)n[nH]1)NCc1c(O)ccc2c1CCCC2	1566359729	LTPMVQDYPMPTLP-UHFFFAOYSA-N	370.453	2.142	10	10	FECE	
CCOc1ccc(N2C[C@H](C(=O)NCc3c(O)cccc3O)CC2=O)cc1	1645360822	KWRMIKPUCGDGON-CYBMUJFWSA-N	370.405	2.166	10	10	FECE	
CCOc1ccc(N2CCN(Cc3csc(CC(=O)NC)n3)CC2)cc1	1644994002	UMNHADWDPGHYMF-UHFFFAOYSA-N	374.510	2.153	10	10	FECE	
CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)c1ccccc1O	1642831315	WRSFZMQOAZJUDA-GXFFZTMASA-N	361.402	2.410	10	10	FECE	
CNS(=O)(=O)c1ccc(CSc2ncc(C(=O)OC)s2)cc1	1656580873	QMCPYFRVGXQSCK-UHFFFAOYSA-N	358.466	2.130	10	10	FECE	
COc1ccccc1-n1c(C)cc(C(=O)NCCN2CCOCC2)c1C	1874053956	GTQHIQFWQSUGPI-UHFFFAOYSA-N	357.454	2.165	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)C1(CNC(=O)OC(C)(C)C)COC1	2131363718	GWDMWPAWKDILAI-ZDUSSCGKSA-N	364.442	2.453	10	10	FECE	
NC(=O)c1cc(Br)ccc1NC(=O)c1cccc(O)c1O	1148218974	PRYTZSRTAARUIL-UHFFFAOYSA-N	351.156	2.212	10	10	FECE	
C[C@@H](N)c1ccc(N2CCC[C@H]2CS(C)(=O)=O)c(Br)c1	2151281848	QFIMGZQYOCITET-PWSUYJOCSA-N	361.305	2.482	10	10	FECE	
Nc1ccc(OC[C@H](O)CN2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)cc1	2160683163	HVZVOVHRQPITFC-SESVDKBCSA-N	367.493	2.215	10	10	FECE	
C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1CCC(=O)Nc1ccc(N)cc1	2162947012	DACLILKZLODAOT-FZMZJTMJSA-N	372.391	2.129	10	10	FECE	
C[C@H]1CN(c2cc3c(cc2N)NC(=O)CC3)CC[C@H]1NC(=O)C(F)(F)F	2163123591	NBODOZBEEHUDBS-JOYOIKCWSA-N	370.375	2.047	10	10	FECE	
O=C(c1ccc(O)c(O)c1)N1CC[C@](CNC(=O)C(F)(F)F)(C2CC2)C1	2174791300	LVCYZLCRUNGPJU-MRXNPFEDSA-N	372.343	2.019	10	10	FECE	
CN(Cc1ccccc1O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O	1473233407	MLJBUOCKXAGOPT-IEBWSBKVSA-N	356.422	2.206	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2060636238	VUELFRDSXPCIGA-STQMWFEESA-N	353.423	2.171	10	10	FECE	
COc1cccc(O)c1CNC12COC(CNC(=O)OC(C)(C)C)(C1)C2	2104434064	POMLLSJRPLZPST-UHFFFAOYSA-N	364.442	2.317	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC(NC(=O)COc3ccc(N)cc3)C2)C1	2106256089	UFCJWXWZVGDOEW-UHFFFAOYSA-N	361.442	2.163	10	10	FECE	
CC(C)(C)OC(=O)NC1CC2(C1)CN(CC(=O)Nc1ccc(N)cc1)C2	2106751960	XFMYCDXHMZUSRK-UHFFFAOYSA-N	360.458	2.196	10	10	FECE	
COc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2CO)c(O)c1	2116266984	QOPRTBLZALDDGI-GOEBONIOSA-N	366.458	2.108	10	10	FECE	
CC(C)(C)OC(=O)NC1CCN(CC(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])CC1	2225791223	BTSUZEGLIPOPKP-ZIAGYGMSSA-N	366.466	2.323	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H](O)C[C@@H](F)C3)ccc(N)c2C1	2226282151	XCJKWSLXXQTVID-OLZOCXBDSA-N	365.449	2.471	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NCc3cccc(F)c3O)CO[C@H]1C2	2255113577	PUIFCEPQECHGNQ-GLJUWKHASA-N	352.406	2.446	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N[C@H]3CCC[C@@H]3N=[N+]=[N-])CO[C@H]1C2	2266161709	UPPSFSUWGGUPDF-QLLRCSDMSA-N	365.434	2.406	10	10	FECE	
C[C@H]1CC[C@@H](S(C)(=O)=O)CN1c1ccc(CO)c(Br)c1	2279400821	IBEYIOXMGKKDNX-GXFFZTMASA-N	362.289	2.343	10	10	FECE	
CCOC(=O)CN1C(=O)C(=Cc2ccc(OC)c(O)c2)SC1=S	2293202105	DLAFGCMJKLDWBO-UHFFFAOYSA-N	353.421	2.165	10	10	FECE	
CCOC(=O)CN1C(=O)C(=Cc2ccccc2C(=O)O)SC1=S	2294859050	OIJYVCIOGXXYDO-UHFFFAOYSA-N	351.405	2.149	10	10	FECE	
O=C(C=Cc1ccc(O)c(O)c1)NCC(=O)N1CCCc2ccccc21	2307986750	YCWHIXZTBWSHFY-UHFFFAOYSA-N	352.390	2.207	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H](C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])C1	2312334012	IXAOXMQDSYRGCW-XQQFMLRXSA-N	353.423	2.218	10	10	FECE	
CSCCS(=O)(=O)NCc1ccc(C)c(Br)c1O	2327587541	ZOVKDOYZLMIITB-UHFFFAOYSA-N	354.291	2.246	10	10	FECE	
Cc1c(Br)cc([C@H]2CNCCN2)c(O)c1Br	309384699	LSYVGVVOPXLHGT-SECBINFHSA-N	350.054	2.460	10	10	FECE	
NCc1cc(I)c(I)cc1O	307648864	HKDBKQBRBZCWAB-UHFFFAOYSA-N	374.947	2.060	10	10	FECE	
C[C@@H](Nc1cnn(CC(=O)NCCO)c1)c1ccc2ccccc2c1O	186508185	LZJJGSUCFSADBM-CYBMUJFWSA-N	354.410	2.024	10	10	FECE	
COC(=O)[C@@H](O)CNC(=O)/C=C/c1cc(C)n(-c2ccc(C)cc2)c1C	135726098	XGDHJJLSTQZCHN-HKMNZKMDSA-N	356.422	2.066	10	10	FECE	
O=C(NCCN1C(=O)CSC1=S)c1ccc(Br)cc1	49755521	GPWAIKVJFZYNSO-UHFFFAOYSA-N	359.270	2.039	10	10	FECE	
Cc1c(F)cc(S(=O)(=O)NCCc2ccc(N)cc2)cc1[N+](=O)[O-]	193336898	RIEYOUJRAPOUJS-UHFFFAOYSA-N	353.375	2.146	10	10	FECE	
Cc1nn(C)cc1[C@@H](C)NC(=O)/C=C\c1ccc(N2CCOCC2)cc1	254950874	VAIQYWMYDNREOA-WUKHSURWSA-N	354.454	2.456	10	10	FECE	
COc1ccccc1CN(CCO)Cc1ccc([N+](=O)[O-])c(OC)c1O	278171152	FVYDSMLOCBYGNV-UHFFFAOYSA-N	362.382	2.312	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CCCOCC1	373263777	LGYSAPINSBWMBB-GFCCVEGCSA-N	355.818	2.364	10	10	FECE	
Cc1ccc(CNC[C@@H]2CCCS(=O)(=O)C2)c(O)c1Br	2380800529	JBCLASJWRWQZFX-NSHDSACASA-N	362.289	2.378	10	10	FECE	
O=C(CC(F)(F)F)NC[C@H]1CCCN(C(=O)c2cc(O)cs2)C1	807668745	GJDHGPMOTPEKEB-SECBINFHSA-N	350.362	2.375	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1cn(C)nc1Cl	814391105	GGCCQOUIFFYYIS-UHFFFAOYSA-N	362.861	2.111	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)Cc1cnccc1C	839220576	LFLZOIRRILCPSE-UHFFFAOYSA-N	368.481	2.463	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)C[C@@H](C)n3cccc3)CC2)cc1	732922932	HOHSWIDCRYBAPP-GOSISDBHSA-N	370.497	2.386	10	10	FECE	
Nc1ccc(NC(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)cc1	841300630	YFJQBJHTMAVQSB-CJNGLKHVSA-N	366.421	2.310	10	10	FECE	
CC(C)CN1C(=O)/C(=C/Nc2ccnn2C2CCCC2)C(=O)NC1=S	920980384	LSOPXCMWEOTMHF-UKTHLTGXSA-N	361.471	2.193	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3cccnc3N(C)C)C2)cc1	851958965	MVSNPQVURBNKSV-MRXNPFEDSA-N	369.469	2.234	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Cc3csc4nccn34)C2)cc1	855234189	UXRMHJPDKQIBOF-ZDUSSCGKSA-N	356.451	2.342	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCn4c(cnc4C)C3)C2)cc1	855224440	GBCLRQRVVLQAKW-JKSUJKDBSA-N	354.454	2.158	10	10	FECE	
Nc1ccc(Cc2nc(C(=O)N3CC[C@H](Cn4ccnn4)C3)cs2)cc1	852844175	RIRLRCHRAWYVQH-AWEZNQCLSA-N	368.466	2.070	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC2(C)OCCO2)C1	768090082	IBTSVQVKMKXNPW-UHFFFAOYSA-N	371.481	2.287	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccnc1C(N)=O	763238457	FVOAHNPPXKHDOZ-UHFFFAOYSA-N	352.438	2.443	10	10	FECE	
CO[C@H](C(=O)NCc1cccc(Br)c1O)C(=O)OC(C)(C)C	867830892	KTABJMCHNDJMQV-GFCCVEGCSA-N	374.231	2.128	10	10	FECE	
CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)N1Cc3cccc(O)c3C1)C2=O	871204374	ZPWQKTWFTFAHJJ-FQEVSTJZSA-N	371.437	2.125	10	10	FECE	
COC(=O)c1c(CN(C)CCN2CCCC2=O)c2cc(F)ccc2n1C	894018252	YPZSKCNTHDNZFI-UHFFFAOYSA-N	361.417	2.158	10	10	FECE	
CC1(F)CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1	792526652	QLLDRKZXVFECDX-UHFFFAOYSA-N	370.427	2.439	10	10	FECE	
C[C@H](O)CCCOC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O	795341480	HKILLULSXBVWFT-NSHDSACASA-N	353.374	2.362	10	10	FECE	
CC(=O)N1CCN(c2ccc(OC[C@@H](O)c3ccc(F)cn3)cc2)CC1	799617388	RHSBHUUFBQUVGW-LJQANCHMSA-N	359.401	2.002	10	10	FECE	
Cc1cc(CNC(=O)c2ccc(N=NC(N)=O)cc2)nc(N2CCCC2)n1	1141711046	SPLCHUSBHZWNGZ-UHFFFAOYSA-N	367.413	2.478	10	10	FECE	
O=C(CNC(=O)c1ccccc1OC(F)F)NCc1c(O)cccc1F	1156164262	UDICBTOLZYDMEA-UHFFFAOYSA-N	368.311	2.179	10	10	FECE	
COc1ccccc1N1C[C@@H](C(=O)NCc2c(O)cccc2F)CC1=O	1156170201	IOBQHURONLQYGG-LBPRGKRZSA-N	358.369	2.209	10	10	FECE	
COc1ccccc1/C=C1/C(=O)NC(=O)N(CCc2ccccc2)C1=O	1084463615	XUVYJZFGBUVIAQ-SSZFMOIBSA-N	350.374	2.400	10	10	FECE	
C[C@@H]1C[C@H](C(=O)NCCc2ccc(O)c(O)c2)N1C(=O)OC(C)(C)C	1964864716	VLUHZSONWFIYGI-DGCLKSJQSA-N	350.415	2.154	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)NCC2(O)CCCCC2)N(C)C)cc1	1256231873	HKSQGEDCJXIGRH-SFHVURJKSA-N	362.518	2.350	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCCCS1(=O)=O	1264287481	ZSLPPCVUKVOUDC-KRWDZBQOSA-N	350.484	2.213	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccnc1-c1cnn(C)c1	1447562644	LHWHLWRJIMUDHJ-LBPRGKRZSA-N	352.394	2.254	10	10	FECE	
Cc1cc(-c2nnc(N(C)Cc3ccccc3O)n2C[C@@H]2CCOC2)n[nH]1	1519764736	OSUAWOIJEWNZKC-AWEZNQCLSA-N	368.441	2.355	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC=CCN2C(=O)c2cccc(O)c2O)C1	2118186003	XYZAZIIHNFEOPQ-UHFFFAOYSA-N	360.410	2.489	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[C@H]1CCCS(=O)(=O)C1	1531695109	ZEXBZDKPXJHWPL-QGZVFWFLSA-N	364.511	2.460	10	10	FECE	
CN1CCN(Cc2ccc(NC(=O)Cc3ccc(O)c(O)c3)cc2)CC1	1540914185	DRGXKOSTIPAQRC-UHFFFAOYSA-N	355.438	2.026	10	10	FECE	
C[C@H](N[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)c1cc(O)ccc1O	2121660224	BVBVEJAYOHGHIT-RMIITELYSA-N	364.442	2.383	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN3CCCC[C@H]3[C@H]3CCCO3)nc12	1473885834	XQBFPJIMGWKYOU-JKSUJKDBSA-N	374.441	2.145	10	10	FECE	
Cc1cc(NC(=O)Cc2ccc(O)c(O)c2)ccc1N1C(=O)CCC1=O	1629227774	BLUDTKDROYAIBX-UHFFFAOYSA-N	354.362	2.241	10	10	FECE	
C[C@](O)(CNC(=O)c1cccc(O)c1O)c1ccccc1Br	1635148247	PPFHPKLQYODZEE-INIZCTEOSA-N	366.211	2.498	10	10	FECE	
O=C(NCc1ccc(O)cc1O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O	1643100600	CVHUIXGXSOVADQ-OAHLLOKOSA-N	360.797	2.421	10	10	FECE	
Cc1cccc(CN2CCO[C@H](CNC(=O)c3c(F)ccc(O)c3O)C2)c1	1651190510	JTIAFHIJEQOPSB-OAHLLOKOSA-N	374.412	2.176	10	10	FECE	
Nc1nc(NCc2ccc(N3CCC(O)CC3)cc2)nc(C(F)(F)F)n1	1655703377	JDEDTFKXMYOITO-UHFFFAOYSA-N	368.363	2.046	10	10	FECE	
Cc1cc(C(=O)NCc2c(O)ccc3ccccc23)ccc1S(N)(=O)=O	1597736627	HFSFPQYXMGAMNH-UHFFFAOYSA-N	370.430	2.431	10	10	FECE	
Cn1nc(O)c2c(C(=O)NCc3c(O)cccc3F)cc(C3CC3)nc21	1596913460	ZINUXBOPWXXGLK-UHFFFAOYSA-N	356.357	2.326	10	10	FECE	
CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1	2127463517	BCOWLAWRPHNHGZ-HZSPNIEDSA-N	367.450	2.417	10	10	FECE	
CCN1C[C@H](C)N(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C[C@@H]1C	1687023251	POHOYHKTNVZSRW-YESZJQIVSA-N	360.502	2.398	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CSCN2)N2CCCCC2)cc1	1866108822	NSBQBMZMZOJPQG-ROUUACIJSA-N	362.543	2.058	10	10	FECE	
CCOC(=O)CCCC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C	1866186891	VRSGTXQIFDDMGG-IBGZPJMESA-N	372.469	2.425	10	10	FECE	
COc1ccc(N2C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]2C(=O)O)c(N)c1	2132281622	PVTHUOPWCFWBFH-NHYWBVRUSA-N	365.430	2.224	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@@H]1CC(=O)CCO1	1951991739	BUCIRXCZGBNQQM-BBRMVZONSA-N	351.399	2.282	10	10	FECE	
COc1ccc(N2CCN(CCN(CCN)Cc3ccccc3)CC2)cc1	2152960088	GJRZYEPPDZNUEE-UHFFFAOYSA-N	368.525	2.278	10	10	FECE	
CCCN(CC(N)=O)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2	311670888	PJKSRPDTSVKAKV-UHFFFAOYSA-N	362.474	2.264	10	10	FECE	
O=C(c1ccc(O)c(O)c1)N1CC[C@H]2OCCN(Cc3ccccc3)[C@H]2C1	2185521881	LQMVIZQXTGWXCC-FXAWDEMLSA-N	368.433	2.213	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)C1	2044251970	XKGOYEQUZHCHOS-LSDHHAIUSA-N	369.487	2.134	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(CCC(=O)N2CC[C@@H](N=[N+]=[N-])C2)CCOC1	2060640904	ADVZLCHVHWTGGS-MLGOLLRUSA-N	353.423	2.362	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@@H]1CNCc1ccc(O)c(O)c1O	2078324188	OZVMHLCPTOPNRP-XQQFMLRXSA-N	350.415	2.148	10	10	FECE	
CC(C)(C)OC(=O)N1CC(N2CCN(CCc3ccc(N)cc3)CC2)C1	2106673150	ZJPOPJAQSCFYMF-UHFFFAOYSA-N	360.502	2.048	10	10	FECE	
CCN1CCc2cc([C@H](N)[C@H](O)[C@H]3CCN3C(=O)OC(C)(C)C)ccc21	2106859364	IKRRGBLXPYHJIN-FGTMMUONSA-N	361.486	2.439	10	10	FECE	
CCc1cc(N2CCC[C@@H](NC(=O)C=Cc3ccc(O)c(O)c3)C2)ncn1	2308001191	IAFLDMKTWMPLOR-MRXNPFEDSA-N	368.437	2.249	10	10	FECE	
Cc1ccc(N2C(=O)NC(=O)C(=CNc3c(C)nn(C)c3C)C2=O)cc1C	2313547991	IHOTVIKUGZYTIB-UHFFFAOYSA-N	367.409	2.233	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-]	2312333814	BGTKFRMIPRVGOW-YVECIDJPSA-N	353.423	2.094	10	10	FECE	
Cc1ccc(CNC[C@H]2CN(C(=O)OC(C)(C)C)[C@H]3CCN2C3)c(O)c1	2342885295	ZYOIQPYTBNLTQI-IRXDYDNUSA-N	361.486	2.484	10	10	FECE	
O=C(c1c(F)ccc(O)c1O)N1CCN(C(=O)C2CCCCC2)CC1	295353191	VPSSGVGNTRMNES-UHFFFAOYSA-N	350.390	2.102	10	10	FECE	
COC(=O)c1nsc(=NCc2ccc(C)c(Br)c2O)[nH]1	2380725407	KZCYTESOPYUUQI-UHFFFAOYSA-N	358.217	2.135	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnc(N(C)C)nc1	802610490	CAGHTCFJYZQPAF-UHFFFAOYSA-N	371.441	2.016	10	10	FECE	
Cc1cc(NC(=O)NCc2cc(Br)ccc2O)c(=O)n(C)c1	806355957	DFSCWBPASBSQTD-UHFFFAOYSA-N	366.215	2.484	10	10	FECE	
CCOCc1cc(CN[C@H]2CCC[C@H]2CNS(C)(=O)=O)ccc1OC	800310193	YAKWTDWCXJKKLU-RDJZCZTQSA-N	370.515	2.039	10	10	FECE	
CO[C@@H]1CCCC[C@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	815073866	CDXHIPPTAUMLPO-QXAKKESOSA-N	373.497	2.210	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)c1	820052173	KFZLSTYGHRAWCW-WBMJQRKESA-N	369.421	2.349	10	10	FECE	
Oc1cc2c(cc1CN1C[C@@H]3COC[C@]3(c3ccccc3)C1)[C@@H](O)CO2	905676713	CQMUXTSJEOFGRU-PBEJRMEISA-N	353.418	2.218	10	10	FECE	
O=C(O)/C=C/c1ccc(N2CCC([C@@H](O)c3ncc[nH]3)CC2)c([N+](=O)[O-])c1	844213774	LXJIUNRUWDNBIN-NKEDHYFDSA-N	372.381	2.366	10	10	FECE	
COCc1nnc(NCc2cc(F)c(N3CCOCC3)c(F)c2)s1	840327150	YTFAIABWAKYHIQ-UHFFFAOYSA-N	356.398	2.411	10	10	FECE	
Fc1cc(CN[C@H]2CCOC23CCOCC3)cc(F)c1N1CCOCC1	926559239	LJMMXMIOTNGWEV-KRWDZBQOSA-N	368.424	2.229	10	10	FECE	
COc1cc(N2CCN(C(=O)C3=COCCC3)CC2)cc(OC)c1OC	759225571	PYCYHRYZZFTYEQ-UHFFFAOYSA-N	362.426	2.055	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3c[nH]nc3-c3cccnc3)C2)cc1	855232925	ZPQZSSHGNFHBDP-OAHLLOKOSA-N	363.421	2.489	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](c3nncn3C)C(C)C)C2)cc1	852324419	STLCTFLBOYAYOU-RHSMWYFYSA-N	372.473	2.099	10	10	FECE	
COc1cccc(CNC(=O)c2nnn(C3CC3)c2C(F)(F)F)c1O	769508317	WWRAPNQGQNOEIL-UHFFFAOYSA-N	356.304	2.276	10	10	FECE	
O=C(O)c1cc(O)ccc1NS(=O)(=O)c1c[nH]c2nccc(Cl)c12	776433355	RPVRJMOJJBOZCM-UHFFFAOYSA-N	367.770	2.421	10	10	FECE	
CN1CCN(c2ccc(CNC[C@H](O)Cc3ccc(F)cc3)cc2)CC1	886239556	ZSOGKQONWOIRSA-OAQYLSRUSA-N	357.473	2.271	10	10	FECE	
O=C(NCC[C@@H]1CCOC1)NCc1ccc(N2CCC(O)CC2)c(F)c1	784536813	BLLSTXNVQAHXFH-CQSZACIVSA-N	365.449	2.013	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H]2CC[C@@H](C1)[S@]2=O	899141287	BQUNPRFQUANBED-JQLIAFOBSA-N	351.449	2.438	10	10	FECE	
CS(=O)(=O)c1cccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)c1	1158057063	HKHVFXNZQSVGEV-UHFFFAOYSA-N	360.395	2.183	10	10	FECE	
CN[C@H](c1ccc2c(c1)CCN2C)[C@@]1(O)CN(C(=O)OC(C)(C)C)[C@H]1C	1887689999	BAYWSODIWYUXPS-WSXQUGQNSA-N	361.486	2.310	10	10	FECE	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCC[C@H](F)C1	1328356083	DOPUNMZUNCBVJR-CVEARBPZSA-N	368.474	2.066	10	10	FECE	
C[C@H](NC[C@@]1(NC(=O)OC(C)(C)C)CCOC1)c1ccc(O)cc1O	688538180	UXOQEYVFNMUBHP-SGTLLEGYSA-N	352.431	2.432	10	10	FECE	
N[C@H]1C(=O)Nc2cc(N3C[C@H]4CSC[C@H]4C3)c(Br)cc21	711585198	YGWXHIZYFFCWAU-BFHDXFOESA-N	354.273	2.200	10	10	FECE	
O=C(C(=O)N1Cc2cccc(O)c2C1)N1CCC[C@H](OC2CCC2)CC1	1348688727	MFHJXKLAQZDGTJ-INIZCTEOSA-N	358.438	2.185	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H](CO)[C@@H]1CCOC1	1295798266	JLWQQENNOVROSR-CRAIPNDOSA-N	356.422	2.034	10	10	FECE	
CCOc1ccc(N(CC(=O)N=[S@](C)(=O)N(C)C)CC2CC2)cc1	1460631749	TXJRSNHFYIJHBJ-DEOSSOPVSA-N	353.488	2.403	10	10	FECE	
Cc1cc(Cn2nnc(C(=O)NCc3ccc(N(C)C)cc3C)c2C)no1	1530833071	CGUPEDMCHPZJNP-UHFFFAOYSA-N	368.441	2.236	10	10	FECE	
CC1(C)CN(C(=O)C2CC2)CCN1C(=O)c1ccc(N=NC(N)=O)cc1	1466562770	SOQBFRUFICQUOP-UHFFFAOYSA-N	357.414	2.322	10	10	FECE	
CC1=NNC(=O)[C@@H]1CCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	1615925786	OQZXNVROIGQHSF-MRXNPFEDSA-N	356.401	2.475	10	10	FECE	
CC(C)CN1CCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	1626154756	QPKLQZNPUYDJPD-IBGZPJMESA-N	363.477	2.399	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(Cc2nc[nH]n2)cc1	1632681808	VQIQPUPCMXIBJW-LBPRGKRZSA-N	352.394	2.168	10	10	FECE	
COc1cc(N2CCN(C(=O)C(C)(C)C)CC2)c([N+](=O)[O-])cc1OC	1639245519	KLLZXAUAJJLCSZ-UHFFFAOYSA-N	351.403	2.307	10	10	FECE	
Cc1cc(CNC(=O)[C@H]2CCc3nnc(O)n3C2)c(C)n1-c1ccccc1	1648612217	YKHKSLQACLMQTC-HNNXBMFYSA-N	365.437	2.270	10	10	FECE	
Nc1ccc(OCC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1	2132354633	RWHFTTRUKGWULA-PXNSSMCTSA-N	351.450	2.381	10	10	FECE	
CC(C)(C)OC(=O)NC1CCC(NC(=O)c2cc(O)c(O)c(O)c2)CC1	2132409228	CUNCGNHRXSMLDB-UHFFFAOYSA-N	366.414	2.369	10	10	FECE	
CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1	2132410619	OHAPPZQKXHJDSK-NSHDSACASA-N	366.414	2.180	10	10	FECE	
COc1ccnc(N2CCN(Cc3ccc(N4CCCC4)cc3)CC2)n1	1204320796	ASXXRXMHPFLREK-UHFFFAOYSA-N	353.470	2.408	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNCc2ccc(Cl)cc2O)C1	1942493382	GUOZIQRSXCDSGY-DOMZBBRYSA-N	356.850	2.363	10	10	FECE	
COc1ccc(CNC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c(O)c1	397444304	VCVIPRCDGNJTSC-OAHLLOKOSA-N	352.431	2.126	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN(C)Cc3ccccc3)CC2)cc1	750619593	CALORCHYTCYWLN-NRFANRHFSA-N	369.509	2.310	10	10	FECE	
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1cc(Br)c(CN)cc1F	2170629991	HUAZBJBWVYFEGJ-RKDXNWHRSA-N	367.284	2.305	10	10	FECE	
COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(OC)cc1N	2044762994	RIVGWHRGHNIZKV-ZDUSSCGKSA-N	351.447	2.350	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](O)C[C@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2060637462	LGQIMYVYPCKFAB-STQMWFEESA-N	353.423	2.048	10	10	FECE	
CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N2CCC[C@H]2CN=[N+]=[N-])C1	2060636446	YBYOSRWVQBCXOW-LBPRGKRZSA-N	353.423	2.314	10	10	FECE	
CN1C[C@H](N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)[C@H](O)C1	2106606352	NOOVXYGDLVMLPI-ZWKOTPCHSA-N	361.486	2.139	10	10	FECE	
COc1ccc(N2CCC[C@@H](N(CCO)C(=O)OC(C)(C)C)C2)c(N)c1	2106838139	GBMIXMWRUZFFGN-CQSZACIVSA-N	365.474	2.476	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2Nc1c(N)cccc1C(N)=O	2108837631	KXPAJMVWAXUBLD-ODOQXGPZSA-N	360.458	2.425	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H]2CCOCCN2C(=O)OC(C)(C)C)c1O	2269768906	IRDDKLPSODHKNH-HNNXBMFYSA-N	364.442	2.343	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)N1CCC[C@@H](C2OCCO2)C1	2297505735	XLFNNAZGTNZXGJ-GOSISDBHSA-N	372.465	2.148	10	10	FECE	
CN(CCCN=[N+]=[N-])C(=O)[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21	2310284177	PSHHCUOJCLXFBQ-FRRDWIJNSA-N	353.423	2.027	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)N3CC[C@H](CN=[N+]=[N-])C3)[C@@H]2C1	2331230632	XBKUZVYXGNAKLS-RQJABVFESA-N	365.434	2.027	10	10	FECE	
CN(c1ccc(CN)cc1Br)[C@H]1CC[C@@H](S(C)(=O)=O)C1	2361592408	FEHRPBLOZNTJGM-NWDGAFQWSA-N	361.305	2.310	10	10	FECE	
CCCN[C@H]1C(=O)Nc2cc(N3CC[C@@H](O)C3)c(Br)cc21	221246633	HJDFGWQHIRCYAV-YMTOWFKASA-N	354.248	2.013	10	10	FECE	
C[C@@H](C(=O)NC(=O)NC1CCCC1)N1CCOc2cc(N(C)C)ccc21	130441086	NUEOBMXWIJKMPP-ZDUSSCGKSA-N	360.458	2.108	10	10	FECE	
CC(C)[C@@H](O)CNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	92436000	BEYANHPWEKWGGH-FQEVSTJZSA-N	374.529	2.035	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCc2cccc3[nH]ccc23)c1	800643277	ANVUVBMGJZMJCY-UHFFFAOYSA-N	373.434	2.218	10	10	FECE	
O=C(NCCCSc1nccs1)[C@H]1CCc2nnc(C3CC3)n2C1	815590963	QQKVIKDEZBAUFM-LBPRGKRZSA-N	363.512	2.473	10	10	FECE	
Cc1cc(C(=O)COC(=O)c2ncn(C)n2)c(C)n1-c1ccc(F)cc1	811357921	KJVSOEDOUFGZHT-UHFFFAOYSA-N	356.357	2.401	10	10	FECE	
Cn1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc1O	829026365	IISXUTPQKRHERP-NSHDSACASA-N	366.368	2.126	10	10	FECE	
CCn1nc(C)cc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	725887666	UGYVRPXJIZAFAA-UHFFFAOYSA-N	360.433	2.242	10	10	FECE	
O=C(C[C@H]1CCNC1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	827259556	KOOVCNLCAOIRAD-CYBMUJFWSA-N	371.403	2.158	10	10	FECE	
COC(=O)C1CC2(C1)CN(Cc1c(O)ccc(Cl)c1F)C[C@@H]2C(=O)O	903695408	XDCPREQLIGXWQI-NPMWDDLUSA-N	371.792	2.271	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F	901055235	KRXOJKRZLKAGRS-RDJZCZTQSA-N	369.339	2.162	10	10	FECE	
COCCCN(C/C=C/c1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1	835024641	ACJMIOFTBNNWGR-FHHGHWCOSA-N	366.527	2.291	10	10	FECE	
CN(C)c1ccc(CNC(=O)NCC2(C3(O)CCOCC3)CC2)cc1F	915365688	HAAWEZSBBPXHBA-UHFFFAOYSA-N	365.449	2.013	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1	841776655	VVLPKABMCZVRFI-ADLMAVQZSA-N	371.393	2.075	10	10	FECE	
COC(=O)c1cc(OCc2cc(=O)n3cc(C)sc3n2)ccc1N(C)C	918651412	MOCWXYRVXFOXRK-UHFFFAOYSA-N	373.434	2.496	10	10	FECE	
CN1CC[C@H](NC(=O)C(=O)Nc2ccc(N)cc2)[C@@H]1c1ccc(F)c(F)c1	841077019	WSNGSFWWFWNQRC-IRXDYDNUSA-N	374.391	2.047	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)c3ccccc3CCN)C2)cc1	846682065	DIOGOJDALIWKOC-INIZCTEOSA-N	353.466	2.453	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H]1CN(C2CC2)C(=O)O1	844307072	NMQMWWQQOKHGMJ-CQSZACIVSA-N	368.817	2.004	10	10	FECE	
Cc1cc(O)c(CNc2ccn(CCN3CCOCC3)n2)c(Cl)c1	840909383	RHXQCTITSLQPKY-UHFFFAOYSA-N	350.850	2.495	10	10	FECE	
CNCc1ccccc1CNC(=O)NCc1ccc(N2CCOCC2)cc1	846138753	NLLLUPDIFDMDCM-UHFFFAOYSA-N	368.481	2.242	10	10	FECE	
C[C@H](NC(=O)NCc1cc(Br)ccc1O)[C@@H]1CCCNC1	841926370	GPUXBFROPOLOAF-WDEREUQCSA-N	356.264	2.342	10	10	FECE	
C[C@H](NC(=O)C(=O)NCC1(N)CCCCCC1)c1ccc(N(C)C)cc1	842202732	KXSJXAAXMMPQHB-HNNXBMFYSA-N	360.502	2.098	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN3C[C@H]4CCCC[C@H]4C3)CC2)cc1	750060445	BOUXRYUPEHDPFH-HDICACEKSA-N	357.498	2.466	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)NCc2c(O)cccc2F)CC1(F)F	928709525	JAJSTEKTYDKAFA-OAHLLOKOSA-N	360.332	2.450	10	10	FECE	
Cc1cncc(CCNC(=O)NCc2ccc(N3CCSCC3)cc2)n1	851991417	PIHLFCRZQQQLSU-UHFFFAOYSA-N	371.510	2.380	10	10	FECE	
CC[S@@](C)(=O)=NS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	866560921	YCXGNYVICJLQPO-JOCHJYFZSA-N	361.533	2.326	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3CCOC[C@@H]3CCO)c2C)cc1	765428806	AYONSHSFKKKTLQ-KRWDZBQOSA-N	358.438	2.326	10	10	FECE	
CCO[C@H](C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@H]1CCOC1	865019395	SJWHHILPCMNHDD-IEZWGBDMSA-N	362.470	2.142	10	10	FECE	
Cc1cc(Br)c(O)c(CN2CC[C@H](NC(=O)NC3CC3)C2)c1	761229969	WKYWUDVHEFJNPF-ZDUSSCGKSA-N	368.275	2.499	10	10	FECE	
COCc1cncc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1	765524453	BJYUBTPJFSBAKF-UHFFFAOYSA-N	369.465	2.367	10	10	FECE	
O=C1C[C@@H](C(=O)N2Cc3cccc(O)c3C2)CN1CCc1ccc(F)cc1	871205722	KJQPVDMDULPPEY-MRXNPFEDSA-N	368.408	2.465	10	10	FECE	
CCn1nc2c(cc1=O)CN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)CC2	776245777	OANFTCMLSYIUNL-CQSZACIVSA-N	369.469	2.158	10	10	FECE	
COC(=O)c1c(CNC[C@@](C)(O)CSC)c2cc(F)ccc2n1C	894287143	AZSLHGYZTBGAFZ-QGZVFWFLSA-N	354.447	2.308	10	10	FECE	
CC[C@H]1COCCN1CCNC(=O)c1cc2cc(O)c(O)cc2s1	899199568	ILPQPOUZJVNDDH-LBPRGKRZSA-N	350.440	2.153	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2c(O)cccc2O)C1	1304053939	WWYDPQSZAHGMAK-BFUOFWGJSA-N	362.426	2.361	10	10	FECE	
O=C(N[C@H](c1ccccc1)c1nn[nH]n1)c1cc2cc(O)c(O)cc2s1	1168691979	BZGRNZPUDNEAGM-OAHLLOKOSA-N	367.390	2.345	10	10	FECE	
CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc(CN)c(F)c1F	711773938	VPKUJLSQWQPAPD-FQEVSTJZSA-N	361.436	2.497	10	10	FECE	
CN(Cc1ccccc1O)C(=O)C(=O)NCCSCCC(F)(F)F	1329782895	SRUGGAATHGQKNA-UHFFFAOYSA-N	364.389	2.152	10	10	FECE	
CC(C)CN1C[C@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)CCN2C1=O	1448913734	LKAQMKMRAPFSAP-OAHLLOKOSA-N	372.429	2.067	10	10	FECE	
CC[C@@H](CN(C)c1cc2c(cc1N)OCC(=O)N2)NC(=O)OC(C)(C)C	2116680325	APFKXYNZEXALIK-NSHDSACASA-N	364.446	2.339	10	10	FECE	
CC(C)(C)OC(=O)N1CC([C@H]2CCN(C(=O)c3cccc(O)c3O)C2)C1	2118167397	JANREODIWHVPAV-LBPRGKRZSA-N	362.426	2.427	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@H]21	2118179467	WCEBHCSHRHGHNP-BFHYXJOUSA-N	362.426	2.473	10	10	FECE	
C[C@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)[C@@H]1C[C@H]1C1CC1	1487813146	KRBPEVLRKYGGAJ-XFBWCDHKSA-N	371.441	2.472	10	10	FECE	
Nc1c(C(=O)NCc2cccc(O)c2O)cc(Cl)c(F)c1[N+](=O)[O-]	1558162032	TZPAQTXXZODDKV-UHFFFAOYSA-N	355.709	2.311	10	10	FECE	
CC(C)C[C@H](CNC(=O)c1cccc(O)c1O)CC(=O)O[C@@H]1CCOC1	1639257179	AYLJCQCEUXUCSA-UONOGXRCSA-N	365.426	2.212	10	10	FECE	
CCOC(OCC)[C@H](C)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	1636853850	LNXYHGXCFPVOET-LSDHHAIUSA-N	365.474	2.361	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)O1	2124378868	CFSISDJRPBLKJV-GOEBONIOSA-N	364.442	2.423	10	10	FECE	
COc1ccc(N2CCN(C(=O)CN3CSCCSC3)CC2)cc1	1631277743	XSBMQXLDXOOPBL-UHFFFAOYSA-N	367.540	2.041	10	10	FECE	
CN1CCc2cc(CN[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)ccc21	2126908368	VDOJIFIEUZQOAK-AEFFLSMTSA-N	361.486	2.139	10	10	FECE	
COc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)c(OC)c1	12338911	UURWJFSGTLDGQK-GDNBJRDFSA-N	358.394	2.498	10	10	FECE	
C[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CCOCC1	154329661	MBHMLNZUYDEIHJ-CQSZACIVSA-N	364.461	2.466	10	10	FECE	
CC[C@H]1[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)CCN1C(=O)OC(C)(C)C	2132413139	KIWHTINOFKFGNN-RYUDHWBXSA-N	366.414	2.321	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(C(=O)O)(c2cc(O)c(O)c(O)c2)CC1	1952081537	PMZMFEJQTSVHLV-UHFFFAOYSA-N	353.371	2.157	10	10	FECE	
C[C@](NC(=O)OCc1ccccc1)(C(=O)O)C1(c2cc(O)nc(O)c2)CC1	1952432229	WBJCOTLTKKHXCJ-SFHVURJKSA-N	372.377	2.294	10	10	FECE	
C[C@@H](c1cc(Br)ccc1O)N1C[C@H]2CS(=O)(=O)C[C@H]2C1	2144164078	DJYSUAITVLBEFT-GARJFASQSA-N	360.273	2.192	10	10	FECE	
NC(=O)c1cccc(N)c1N[C@H]1CC[C@@H]1NC(=O)OCc1ccccc1	1978874515	VHQOIGFYTHECLN-HOTGVXAUSA-N	354.410	2.237	10	10	FECE	
CNCc1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)cc1Br	2148767693	BJWJDDDMJYUNBO-NSHDSACASA-N	361.305	2.039	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NCc1ccc(F)c(F)c1O	2031539567	MPZBDZWPHPVVBX-QWHCGFSZSA-N	358.385	2.442	10	10	FECE	
Nc1ccc(CC(=O)NC[C@]23CN(Cc4ccccc4)C[C@@H]2CCO3)cc1	2175196725	DLYSBECFHBCAQR-UGKGYDQZSA-N	365.477	2.219	10	10	FECE	
COc1ccc(CNC2(CCO)CN(C(=O)OC(C)(C)C)C2)cc1C	398061436	WPSOXPUBOFWYKP-UHFFFAOYSA-N	350.459	2.465	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(CNC(=O)Nc2ccc(N)cc2)CCOC1	2044250698	UPOOCQAYJWZMET-QGZVFWFLSA-N	350.419	2.074	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1	2049787496	YVMILERIJIHYPM-YGJAXBLXSA-N	350.459	2.288	10	10	FECE	
CC(C)(C)OC(=O)NCc1cn(C2CN(CCCCN=[N+]=[N-])C2)nn1	2054256185	UUNJWBCWKIMDMD-UHFFFAOYSA-N	350.427	2.250	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(O)c(O)c2)C(C)(C)C1	2054416140	CZVCPMULFMTUKY-CQSZACIVSA-N	350.415	2.473	10	10	FECE	
C[C@H](C(=O)Nc1ccc(N)cc1)N1CCC12CN(C(=O)OC(C)(C)C)C2	2106766197	LKGGMFXLVWXEDI-CYBMUJFWSA-N	360.458	2.291	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1CN(C(=O)c1cccc(O)c1O)C2	2226533294	YESIRNACZTWRDO-MBNYWOFBSA-N	362.426	2.473	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@@]2(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C1	2278886764	HWAMXHSXHFPNMF-IIYDPXPESA-N	365.434	2.314	10	10	FECE	
CC(=O)NC1=NC(=O)C(=Cc2cc3c(cc2Br)OCO3)S1	2296648385	OHAUXLLFZBRJLH-UHFFFAOYSA-N	369.196	2.284	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)NCc1nc2cccnc2[nH]1	2311264229	SZTMGUHFYMXPDL-UHFFFAOYSA-N	363.421	2.124	10	10	FECE	
Nc1ccc(CC(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)cc1	404179764	WZEFHVCTOUYFOT-NHCUHLMSSA-N	365.477	2.313	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCc3nc(N)sc3C2)c([N+](=O)[O-])c1	301077452	FQLIESUTMONZEV-HWKANZROSA-N	360.395	2.382	10	10	FECE	
CN(C)c1ccc([N+](=O)[O-])cc1/C=C1\C(=O)NN(c2ccc(F)cc2)C1=O	33403603	OCGUCNMHFOAHLF-XNTDXEJSSA-N	370.340	2.261	10	10	FECE	
COc1ccc(N2CCN(c3cnnc(N4CCCCC4)n3)CC2)cc1	244238950	WFVMLDYOGDAZOV-UHFFFAOYSA-N	354.458	2.197	10	10	FECE	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)N1CC[C@@H](N2CCCC2)C1	254981011	ILTWSWXWRUWDGB-DASIIQCKSA-N	355.482	2.233	10	10	FECE	
Cc1nn(C)c(C)c1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	269957233	QBJXDAUKSHMZBK-UHFFFAOYSA-N	369.469	2.233	10	10	FECE	
Cc1ccc(CNC(=O)C[C@H](N)C(F)(F)F)c(O)c1Br	2380758285	UYOCODPQBIIXPA-QMMMGPOBSA-N	355.154	2.359	10	10	FECE	
C[C@H](OCC(=O)NCc1cc(Br)ccc1O)c1nccn1C	807738180	BVWUSPPUHRCEAU-JTQLQIEISA-N	368.231	2.282	10	10	FECE	
Cc1nn(C)c(C)c1CC(=O)NCc1cc(Br)ccc1O	804735106	LJCAETBNDKXHHF-UHFFFAOYSA-N	352.232	2.364	10	10	FECE	
CCn1ccnc1CNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	823667954	QDUWPENLARGFTB-OAHLLOKOSA-N	357.458	2.237	10	10	FECE	
C[C@@H](NC(=O)N1[C@H]2CC[C@H]1CC(O)C2)c1ccc(N2CCOCC2)cc1	732455051	BPKMBDCVOXLGDL-JLSDUUJJSA-N	359.470	2.282	10	10	FECE	
O[C@H]1C[C@@H](O)CN(Cc2ccc(N3CCCCC3)c(Br)c2)C1	838858344	TYXKKYROFGLUNT-GASCZTMLSA-N	369.303	2.367	10	10	FECE	
COc1cc(N2CCN(C(=O)[C@@H]3C[C@@H]4C[C@@H]4C3)CC2)cc(OC)c1OC	832171205	PAOAWSIQEMSWTN-FICVDOATSA-N	360.454	2.407	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CC[C@H]3C3CC3)cc2)C1	837769620	QKJLOUUQNGMJPZ-WMZOPIPTSA-N	356.470	2.082	10	10	FECE	
CCN1CCN(c2ccc(C(=O)NCc3ccc(O)cc3O)cc2)CC1	910955265	QGNPAKWLJNORKD-UHFFFAOYSA-N	355.438	2.170	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2C[C@H]2C2CCCCC2)c1	743654064	CHUSFFVGEFXPEO-ZFWWWQNUSA-N	352.456	2.462	10	10	FECE	
COc1ccc(N2CCN(CCN[C@@H](C)CSCCF)CC2)cc1	850428243	DTQCARANDUATJI-INIZCTEOSA-N	355.523	2.498	10	10	FECE	
CC(C)(C)n1cnc(NC(=O)NCc2ccc(N3CCOCC3)cc2)n1	752999686	QJQCTJJTFATYHK-UHFFFAOYSA-N	358.446	2.191	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(CN2CCCC2)on1	935945614	DNBIDUIYNKDMCM-UHFFFAOYSA-N	350.415	2.392	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)C3CC4(CSC4)C3)cc2)CC1	867680556	AYHRVJCPHAOUEU-UHFFFAOYSA-N	373.522	2.115	10	10	FECE	
CC(C)C[C@]1(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CCNC1=O	865017832	BFDMRXJYZDQVOB-IIBYNOLFSA-N	373.497	2.253	10	10	FECE	
CN1CCN(c2ccc(CNCCc3cnc(C4CC4)nc3)cc2)CC1	771856457	AJZKBRCCHYEACD-UHFFFAOYSA-N	351.498	2.438	10	10	FECE	
Cn1cnnc1SCC(=O)Nc1c(-c2ccccn2)nc2ccccn12	1126783268	IBOLPCKOFNPRHF-UHFFFAOYSA-N	365.422	2.256	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)Cn2nc(C)c3cccnc32)cc1	1130747344	JIQKULTWGKPGJY-UHFFFAOYSA-N	367.453	2.343	10	10	FECE	
COC(=O)[C@H]1[C@@H](CNCc2ccc(N3CCC(CO)CC3)cc2)C1(F)F	894203822	WCMZYMRKNBHOSV-IAGOWNOFSA-N	368.424	2.039	10	10	FECE	
C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1cccc(O)c1O	1965172295	KZAMWSLGYSIPKH-DGCLKSJQSA-N	350.415	2.473	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)NCC1(CC2CC2)CC1	1331666545	JPUHVKIQXLVPMS-UHFFFAOYSA-N	353.513	2.438	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)C(=O)NCC[C@@H]2CC2(F)F)cc1F	1331356000	BNEFJKONORWNAG-CYBMUJFWSA-N	371.403	2.450	10	10	FECE	
C[C@@H](NC(=O)C(=O)N1CCC2(CCCCO2)CC1)c1ccc(N(C)C)cc1	1332140265	NEZIVSVAOOGXNM-MRXNPFEDSA-N	373.497	2.492	10	10	FECE	
Oc1ccsc1-c1nnc(N2C[C@@H]3CC[C@H](C2)O3)n1C[C@H]1CCOC1	1345678912	BDEPCYBXZGTUDO-UPJWGTAASA-N	362.455	2.116	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)n1nnnc1C(C)(C)C	1297562474	MBKUEVQKIRDLSW-NSHDSACASA-N	352.435	2.039	10	10	FECE	
C[C@H]1OCC[C@@]1(O)Cn1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C	1291325095	DXDYTUUSDTXGKQ-JLTOFOAXSA-N	374.485	2.458	10	10	FECE	
Cc1cccc(-n2c(C)cc(C(=O)N3C[C@@H](CO)[C@H](CCO)C3)c2C)c1	1520918109	SQCIFJKGRNMDQI-MSOLQXFVSA-N	356.466	2.465	10	10	FECE	
O=C1NC(=S)SC1=Cc1ccc(O)c(I)c1	2296927803	AFKGVSFCZZSXIN-UHFFFAOYSA-N	363.201	2.486	10	10	FECE	
COc1ccc(N2CCN(C(=O)C3=C(C)OCCS3)CC2)c(OC)c1	1530967738	FKURUZURMGPZSQ-UHFFFAOYSA-N	364.467	2.347	10	10	FECE	
NC(=O)COc1cccc(NC(=O)c2cc3cc(O)c(O)cc3s2)c1	1463683055	ALUNBIINWNPNOM-UHFFFAOYSA-N	358.375	2.429	10	10	FECE	
CN1CCc2cc([C@H](N)c3nn(C)cc3I)ccc21	2121173273	NXMYGDGHTCMENW-ZDUSSCGKSA-N	368.222	2.065	10	10	FECE	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N(C)CCS(N)(=O)=O)c2C)c1	1558192213	XOQBDBSTJWDLNC-UHFFFAOYSA-N	363.483	2.071	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N1CCCN(C(=O)CC2CCCC2)CC1	1565637001	NMXYQFZRZZGLKF-UHFFFAOYSA-N	360.454	2.282	10	10	FECE	
C[C@H](NC(=O)[C@@H]1COCCN1CC(F)(F)F)c1ccc(N(C)C)cc1	1634448203	LWJCCXCFQYHHQR-WFASDCNBSA-N	359.392	2.193	10	10	FECE	
CCNc1nc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cs1	1633252911	UAANOVBLEFGWMS-UHFFFAOYSA-N	359.499	2.257	10	10	FECE	
COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](C)c1ccccc1O	1676594346	IOCHTLQULCRTIS-AAEUAGOBSA-N	358.398	2.271	10	10	FECE	
COC[C@@](O)(CCCNC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O	1920097996	LLURYCWZFATVRO-YJBOKZPZSA-N	354.447	2.074	10	10	FECE	
C[C@@H](NCc1cc(Br)ccc1O)[C@H]1CCCS(=O)(=O)C1	2146102757	IFCHYMMEZSQXEX-MNOVXSKESA-N	362.289	2.458	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CN(CC(=O)Nc3ccc(N)cc3)C[C@@]2(C)C1	2162947463	HPCVVNSMYNSXCM-VLIAUNLRSA-N	374.485	2.396	10	10	FECE	
N[C@H](Cc1ccc(O)c(O)c1)c1nc(CCOCc2ccccc2)no1	395563618	NNRWGCGJELOFRP-OAHLLOKOSA-N	355.394	2.483	10	10	FECE	
COc1ccc([C@@H](C2CC2)n2nc(C(F)(F)F)c(C(N)=O)c2N)c(O)c1	2079852903	BKQHRRIDJPGPIU-GFCCVEGCSA-N	370.331	2.297	10	10	FECE	
CN[C@H](CN(C)CCNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	2044752384	MFQXGRNHKKCRNV-QGZVFWFLSA-N	350.507	2.470	10	10	FECE	
CON(C(=O)c1ccc(O)c(O)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1	2055885200	IQVCXTXAPBBVQA-LBPRGKRZSA-N	352.387	2.111	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2060614657	FSQYRHFTXGUXTA-RYUDHWBXSA-N	353.423	2.123	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N2CCC[C@@H]2CN=[N+]=[N-])C1	2060640648	XEEGEKBYEYMQIT-OLZOCXBDSA-N	353.423	2.314	10	10	FECE	
CO[C@@H](CCNC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccccc1O	2072472104	VYUMGHADRXLVSL-DOMZBBRYSA-N	352.431	2.499	10	10	FECE	
CN1CCCc2cc([C@H](N)[C@H](O)[C@H]3CCN3C(=O)OC(C)(C)C)ccc21	2106944180	LDHLEMMOINBCEY-FGTMMUONSA-N	361.486	2.439	10	10	FECE	
C[C@](NC(=O)C(F)(F)F)(C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-])C(F)(F)F	2218746683	XYDCJMHLABKICH-WATHFIQWSA-N	361.246	2.334	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])CO1	2218737052	DOKHNVPSMTZDND-CYDGBPFRSA-N	353.423	2.264	10	10	FECE	
Oc1ccc(F)cc1CNCCn1cnc(I)c1	2221412410	YCMJWASMJFCMAU-UHFFFAOYSA-N	361.158	2.122	10	10	FECE	
CN(CC(=O)Nc1ccc(N)cc1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F	2343613418	MUWLKWQHUWMEIB-GJZGRUSLSA-N	366.437	2.097	10	10	FECE	
COc1ccc(N2CCN(CC(=O)N(C)Cc3ccc(C)o3)CC2)cc1	7354566	ZSAIKOFGTCRBEY-UHFFFAOYSA-N	357.454	2.377	10	10	FECE	
CN(C)C(=O)C1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1	57661440	PQKMCIHPFUOZOM-UHFFFAOYSA-N	358.486	2.079	10	10	FECE	
O=C(NC1CC1)c1ccc(N2CC[C@@H](NCc3cc(F)ccc3O)C2)nc1	65257007	ICKKNJBFFFNTOF-QGZVFWFLSA-N	370.428	2.187	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cnc(N)c(Cl)c1	171237750	ZCSBSAZLCJOVMW-UHFFFAOYSA-N	360.845	2.426	10	10	FECE	
COc1ccc(O)cc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	188493648	RKOJHMOIVDLMJG-UHFFFAOYSA-N	360.385	2.307	10	10	FECE	
CCOc1ccc(O)c(CN2CCN(Cc3c(C)nn(C)c3C)CC2)c1	121462785	YPUICUTVJFZPEB-UHFFFAOYSA-N	358.486	2.459	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1	185558225	WUJKIFMFDKJYQV-DLBZAZTESA-N	362.518	2.129	10	10	FECE	
COC(=O)C[C@@](C)(NCc1ccc(N2CCOCC2)cc1)c1ccncc1	191906449	BATJOIJPTFDSFN-OAQYLSRUSA-N	369.465	2.486	10	10	FECE	
Nc1ccc(O)c(CNS(=O)(=O)c2sccc2Br)c1	49060782	NPEAQBUINVUYRH-UHFFFAOYSA-N	363.258	2.277	10	10	FECE	
COc1cc(Br)c([C@H](NCCN=[N+]=[N-])C(=O)O)cc1OC	90256159	IRDYAIVOZVEPKS-NSHDSACASA-N	359.180	2.492	10	10	FECE	
CCNC(=O)N1CC[C@@H](N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1	90412166	CMRPHCQMAJYGTA-GDBMZVCRSA-N	364.465	2.117	10	10	FECE	
COc1ccc(CNC[C@H]2COCCN2C(=O)OC(C)(C)C)c(O)c1	385479555	NOKTYCVKYOQOIJ-AWEZNQCLSA-N	352.431	2.126	10	10	FECE	
COc1ccc(N2CCN(c3cc(NC[C@H]4CCCO4)ncn3)CC2)cc1	242612027	CMNUJNYHMAEDQG-GOSISDBHSA-N	369.469	2.403	10	10	FECE	
CCCCCNC(=O)[C@H]1C[C@@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1	242551542	CBKWJRAFXMMHCD-OALUTQOASA-N	373.497	2.286	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1	248332087	FFESYKUHQKGKKW-IRFCIJBXSA-N	370.541	2.175	10	10	FECE	
C[C@@H](CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1)Cn1cccn1	255903870	UTYPFKIINYQEFY-AFCDSYGPSA-N	354.454	2.185	10	10	FECE	
CN(C)c1cccc(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)c1	471571854	CLFMPUOAGWCMIY-UHFFFAOYSA-N	361.467	2.406	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3ccc(NC(C)=O)cn3)C2)cc1	819586313	MZLKCAZALBUDTB-OAHLLOKOSA-N	368.437	2.305	10	10	FECE	
COc1cccc(N2C[C@@H](NC(=O)NCc3ccccc3O)CC2=O)c1	726273774	LUFXAENUKSRSMH-AWEZNQCLSA-N	355.394	2.006	10	10	FECE	
CCn1cc(CN2CCCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)cn1	588404108	KTGUZTUFVBZFRE-ALCCZGGFSA-N	370.453	2.062	10	10	FECE	
CN1CCN(c2ccc(CN3CC[C@H](C(F)(F)F)[C@H](N)C3)cc2)CC1	903983056	BFBHRRDJRGFNFY-DLBZAZTESA-N	356.436	2.150	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1	830957811	NQIPWTYYQBJVJY-ZCNNSNEGSA-N	359.514	2.384	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)C[C@@H](CC(C)C)OC)C2)cc1	849417635	WUBRAJDRODPHAD-MAUKXSAKSA-N	370.515	2.254	10	10	FECE	
CCOC(=O)[C@@]1(F)CN(Cc2cc3c(cc2O)OCO3)CC12CCC2	853523213	GXUAPILMNWGPAT-SFHVURJKSA-N	351.374	2.378	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)c2cn([C@@H]3CCCNCC3)nn2)cc1	852860409	PZGMBDQMSLTOPO-GOSISDBHSA-N	370.501	2.369	10	10	FECE	
C[C@H](NC(=O)N1C[C@H](C)C(O)[C@@H](C)C1)c1ccc(N2CCOCC2)cc1	853487722	VJYLSERGTZHVDK-JYJNAYRXSA-N	361.486	2.243	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NC(C)(C)c3cnn(C)c3)C2)cc1	854299918	MAUJETPFZAMJEE-OAHLLOKOSA-N	357.458	2.242	10	10	FECE	
CN1CC(=O)Nc2cc(C(=O)NCc3ccc(N4CCCC4)cc3)cnc21	858452319	KBYFMWVIDQLMLY-UHFFFAOYSA-N	365.437	2.000	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Nc3ccc(OCCN)cc3)C2)cc1	850753259	AUTZXPZRCQPFJX-INIZCTEOSA-N	370.453	2.433	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cn4c(n3)C[C@@H](C)CC4)CC2)cc1	864470438	IYCJFOUDIVHKQW-HNNXBMFYSA-N	354.454	2.436	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)c3ccc4c(c3)B(O)OC4)cc2)CC1	863873439	COUINCBPQFITHL-UHFFFAOYSA-N	364.254	2.071	10	10	FECE	
O=C([C@@H]1CCCN(Cc2c(O)ccc3ccncc23)C1)N1CCOCC1	874076752	ZNDWJBIGMNVJRC-MRXNPFEDSA-N	355.438	2.011	10	10	FECE	
C[C@H](NC(=O)[C@]1(C)COC[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O	1877566781	CSDXUHAHXXIRJR-IOHHAYIISA-N	364.442	2.499	10	10	FECE	
C[C@H]1CO[C@@H](C(F)(F)F)CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1	796304884	LMLKADWBCKDHHQ-XJKSGUPXSA-N	373.419	2.363	10	10	FECE	
COc1ccc(CNC(=O)NCCCNC(=O)OC(C)(C)C)c(O)c1	792901675	WNIKAZROWKRJLD-UHFFFAOYSA-N	353.419	2.115	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NCc2cc(O)ccc2O)C1	1176748089	JELFTMBPADWRAY-LBPRGKRZSA-N	350.415	2.361	10	10	FECE	
COc1ccc(CNC[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C2CC2)cc1C	1323036265	RLXZLHPQJIBGLD-KBAFEORJSA-N	370.493	2.411	10	10	FECE	
CC(C)(C)c1ccc(C(=O)NCC(=O)NCc2cccc(O)c2O)cc1	1348035223	IYIVCBCODBGQPO-UHFFFAOYSA-N	356.422	2.442	10	10	FECE	
Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)Cc1ccc(N2CCCC2)cc1	1356268288	WDGTVFNLMMNLDD-UHFFFAOYSA-N	357.414	2.359	10	10	FECE	
COc1cc(CC2CN(C(=O)Cc3ccc(O)c(O)c3)C2)cc(OC)c1	1620710555	YPNLMONLKKWLNJ-UHFFFAOYSA-N	357.406	2.359	10	10	FECE	
C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1	1624282354	BMTYRRSBIOOJOI-QWHCGFSZSA-N	354.406	2.123	10	10	FECE	
CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)c1cc2cc(O)c(O)cc2s1	1633688450	ORTIBWGYFJRFBT-KRWDZBQOSA-N	367.423	2.135	10	10	FECE	
CC(C)(C)OC(=O)NCCN1CCC(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)CC1	2124539976	BFYONRPOWILPFI-CQSZACIVSA-N	366.466	2.134	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H](C)CCN(C)C	1566849391	KVNABKZQSAWDGS-GFCCVEGCSA-N	356.850	2.135	10	10	FECE	
O=C(NCc1cc(O)ccc1O)[C@@H](c1ccccc1)N1CCCCC1=O	1651222116	ANLKADOOEASMPK-LJQANCHMSA-N	354.406	2.468	10	10	FECE	
COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)NCC(C)C	205941412	UUPXXYYLKKWRRY-SFQUDFHCSA-N	374.397	2.380	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)N3CCC[C@H]3CN=[N+]=[N-])O2)C1	2140447379	VLSGEYCEKBCYDV-STQMWFEESA-N	365.434	2.456	10	10	FECE	
O=S1(=O)CCC[C@@H]2CN(Cc3cc(Br)ccc3O)C[C@@H]21	2145073534	ORDIDCWHFUKULV-YGRLFVJLSA-N	360.273	2.164	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NCc1cc(F)cc(F)c1O	2036602427	MXMFALAOTWWBDL-RISCZKNCSA-N	358.385	2.300	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NCc1ccc2c(c1)CCO2	387866692	SBOCCSQOHOTKLH-XOYOTBSWSA-N	360.454	2.392	10	10	FECE	
CCN(C[C@H](C)NC(=O)OC(C)(C)C)C(=O)COc1ccc(N)cc1	2044645024	WROTWRWFHQULRX-ZDUSSCGKSA-N	351.447	2.409	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@]1(C(=O)NCc2ccccc2O)CCOC1	2060478182	BVMUUEHFVNOYBB-SFHVURJKSA-N	350.415	2.034	10	10	FECE	
C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2060639407	HSUPJBYDSINPSS-YPMHNXCESA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)NCCc1nc(=NCc2c(O)cccc2Cl)[nH][nH]1	2063193047	RFUIVFWXCIDKFD-UHFFFAOYSA-N	367.837	2.265	10	10	FECE	
Cc1ccc(CNC[C@@H]2C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1	2084071504	FSCDCPBJEAICFB-QRTARXTBSA-N	350.459	2.454	10	10	FECE	
COC(=O)[C@H](CC(=O)N1CCC[C@@H](N=[N+]=[N-])CC1)NC(=O)OC(C)(C)C	2124531691	FRNAAFCWWYVCPA-NEPJUHHUSA-N	369.422	2.134	10	10	FECE	
CCCOc1cc(N(C)CC2(O)CN(C(=O)OC(C)(C)C)C2)ccc1N	2271679981	PVHCKOXUSCQQNW-UHFFFAOYSA-N	365.474	2.476	10	10	FECE	
CC(C)(C)OC(=O)N1CCOCC[C@@H]1C(=O)NCc1ccccc1O	2257523085	BZNXXGHHZGIDEC-CQSZACIVSA-N	350.415	2.034	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NCc3ccc(O)c(O)c3)C[C@H]21	2343109070	URGWYXSSYMJPHY-CKEIUWERSA-N	364.442	2.354	10	10	FECE	
C[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCS1	171742646	RCCMFAWNJOTZQY-ZDUSSCGKSA-N	353.463	2.309	10	10	FECE	
C[C@H](CCS(C)(=O)=O)N[C@H](C)c1ccc(N2CCC(O)CC2)cc1	127132141	VLFDMDJSNOCOIK-HUUCEWRRSA-N	354.516	2.122	10	10	FECE	
C[C@@H](NC[C@H](c1cnn(C)c1)N(C)C)c1ccc(N2CCOCC2)cc1	129907284	QIRVFSQELLJRJN-OXQOHEQNSA-N	357.502	2.210	10	10	FECE	
CC[C@@H]1CO[C@H](C)CN1c1cc2c(cc1Br)[C@H](N)C(=O)N2	92775421	YJJPNKCNELSZDD-NUPCCRGMSA-N	354.248	2.405	10	10	FECE	
CC(C)c1nncn1CCNC(=O)/C=C\c1ccc(N2CCOCC2)cc1	255377849	DAZYSMIYXWNBRT-YVMONPNESA-N	369.469	2.068	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC[C@@H](C3OCCO3)C2)c([N+](=O)[O-])c1	263784819	ZIRGMKSHTKGEGR-HZRUHFOJSA-N	362.382	2.370	10	10	FECE	
CCCN(CCc1ccccn1)C(=O)C(=O)NCc1ccc(N(C)C)cc1	283388314	GZFCUOMKQBFFRN-UHFFFAOYSA-N	368.481	2.245	10	10	FECE	
C[C@H](NC(=O)c1cc2c(cn1)OCCO2)c1ccc(N2CCOCC2)cc1	819166664	ZWKCHOIETSHIBN-AWEZNQCLSA-N	369.421	2.180	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)COc1ccc(O)cc1	819695865	BUEMPXUXVKGKPS-UHFFFAOYSA-N	359.378	2.069	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccnc2)c1	735858035	GVMLNGRSUBARQD-UVIMBBFXSA-N	369.421	2.193	10	10	FECE	
O=C(NCc1cccc(Br)c1O)N[C@@H]1CCn2ccnc21	836523901	ONZYXBMMJAKIAD-LLVKDONJSA-N	351.204	2.295	10	10	FECE	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CC[C@@H]1C1CC1	838740728	XLROGRIZILJFOR-MRXNPFEDSA-N	351.397	2.495	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)Cc3c(C)cc(C)nc3O)C2)cc1	912293154	SZKSWTWNPRHNPY-HNNXBMFYSA-N	355.438	2.350	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)Cc3csc(C)n3)C2)cc1	849415649	DDMUPJMFVZGILB-ZDUSSCGKSA-N	367.496	2.158	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC(=O)Nc2ccccc2C1	847045757	VIQVCTNIZXXKDI-UHFFFAOYSA-N	366.465	2.165	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCCN1CCOC1=O	840285722	FASJFOLPAJCXMI-OAHLLOKOSA-N	362.474	2.134	10	10	FECE	
COc1ccc(N2CCN(C(=O)COc3cnn(C(C)C)c3)CC2)cc1	848527011	OXRAHTDFMOWFGL-UHFFFAOYSA-N	358.442	2.200	10	10	FECE	
COC[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C1CCOCC1	852137966	CCVPGWOYOJCPSY-LJQANCHMSA-N	359.470	2.304	10	10	FECE	
CCO[C@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(C)C	858669409	MMFWOUQEJNLHRK-WMZOPIPTSA-N	361.486	2.066	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cc([N+](=O)[O-])cnc3C)C2)cc1	855229326	MTVWNDFEWKNNCL-ZDUSSCGKSA-N	356.382	2.316	10	10	FECE	
COC(=O)/C(C)=C\CNC(=O)N1CCCN(c2ccc(OC)cc2)CC1	925028223	NWTPIQSYQORPIM-DHDCSXOGSA-N	361.442	2.036	10	10	FECE	
Cc1ccc(O)c(CN2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)c1	853249772	VUEVSYKLXIXYNR-MRXNPFEDSA-N	355.486	2.213	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cc(C4CCNCC4)no3)C2)cc1	852844787	ZSPWIPOPGZUPPF-HNNXBMFYSA-N	370.453	2.159	10	10	FECE	
O=C(Cn1ccc(C(F)F)n1)NCc1ccc(N2CCC(O)CC2)cc1	862225886	KHXBCEPIYHGJMM-UHFFFAOYSA-N	364.396	2.098	10	10	FECE	
CCOC(=O)[C@@H]1CN(C(=O)c2ccc(C)c(O)c2O)C[C@H]1C(F)(F)F	874907514	INWGUPVMQFHZEK-GHMZBOCLSA-N	361.316	2.220	10	10	FECE	
COC(=O)COc1ccc(N(C)CC(=O)Nc2ccccc2OC)cc1	784559028	ZFJPYNXLFBMQSS-UHFFFAOYSA-N	358.394	2.322	10	10	FECE	
CC(C)(C)O[C@@H]1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)[C@H]1n1cccn1	1158288921	QXNJMYULBGHPQK-FDQGKXFDSA-N	359.426	2.150	10	10	FECE	
COC(=O)C[C@@](C)(NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccn1	1155128540	STRFQSLNPUROFZ-GOSISDBHSA-N	369.381	2.452	10	10	FECE	
NC(=O)c1cc(N2CC=C(c3c[nH]c4ncccc34)CC2)nc(Cl)n1	1184738891	DGEHASACPNAYHG-UHFFFAOYSA-N	354.801	2.399	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCC(c2ccon2)CC1	1346888823	INPMUOVCHOIYKL-UHFFFAOYSA-N	370.453	2.105	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCc2ccc(O)nn2)cc1	1450045325	BVSNQCDXEQNMKW-UHFFFAOYSA-N	364.405	2.261	10	10	FECE	
CCc1nc(C)ncc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1618643007	JGNXKGYFDIRFFN-LJQANCHMSA-N	355.486	2.446	10	10	FECE	
C[C@H](C(=O)N1CCC(N=[N+]=[N-])CC1)N1CCN(C(=O)OC(C)(C)C)CC1	2124512398	LNUHKQLGOGKTAP-CYBMUJFWSA-N	366.466	2.229	10	10	FECE	
CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)N1CCC(CN=[N+]=[N-])CC1	2124533376	PAXOSJXVSIUMKM-UONOGXRCSA-N	367.450	2.417	10	10	FECE	
CCOC(=O)c1cc(CNC(=O)NCc2cc(Cl)ccc2O)on1	1637838167	DKVYXMLDGBRECX-UHFFFAOYSA-N	353.762	2.210	10	10	FECE	
Cc1nnc(N(C)CCn2cccn2)n1Cc1ccc2c(c1)CCCN2C	1742761893	AYVZOZKKKDFVRO-UHFFFAOYSA-N	365.485	2.350	10	10	FECE	
CC(C)(C)OC(=O)N1CC(c2nc(=NCc3cccc(F)c3O)[nH][nH]2)C1	2127692900	LDQKRCSCUXDSOH-UHFFFAOYSA-N	363.393	2.018	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)N[C@@H]3CCOC[C@H]3O)c2C)c1	1684599856	MSBBSTYJLZOPBS-RTBURBONSA-N	357.454	2.352	10	10	FECE	
NC(=O)c1ccccc1NC1=NC(=O)/C(=C2\C(=O)Nc3ccccc32)S1	208336691	ZVHCZQRXYSNUCG-BUHFOSPRSA-N	364.386	2.190	10	10	FECE	
CC(C)(C)OC(=O)NCc1ncc(C(=O)NCc2ccccc2O)cn1	1595792905	PCFURMWIDOORBZ-UHFFFAOYSA-N	358.398	2.137	10	10	FECE	
C[C@@H](NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1ccc(O)cc1O	1918962968	LRDWYBHLOWDVII-XIKOKIGWSA-N	352.431	2.120	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CNCc1cc2c(cc1O)OCO2	1973716614	ZMRQXKNKGJCEDG-NWDGAFQWSA-N	350.415	2.371	10	10	FECE	
CCCN(C(=O)C=Cc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1	2040429469	BGWDFLNLVHWTMN-QGZVFWFLSA-N	350.484	2.192	10	10	FECE	
O=C1C(=Cc2cccc(F)c2)SC(=S)N1CCN1CCOCC1	2040490045	SHIVQYIOADXXPK-UHFFFAOYSA-N	352.456	2.359	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](CNCc2ccc(O)cc2O)CO1	2041186282	BSJGDCXTIVASKW-DOMZBBRYSA-N	352.431	2.117	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)C1	2060632899	HFJMEBNFSVMWDA-OLZOCXBDSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(c3cc4c(cc3N)NC(=O)CC4)C[C@@H]21	2107816956	IUPPQMFQDLYQPP-PBKGOJFUSA-N	358.442	2.113	10	10	FECE	
CN(Cc1ccccc1)[C@]1(CNC(=O)c2ccc(O)c(O)c2)CCOC1	2098893165	KIVWLMQNPQJENE-FQEVSTJZSA-N	356.422	2.119	10	10	FECE	
Cc1cccc(CNC(=O)c2cnc(CNC(=O)OC(C)(C)C)nc2)c1O	2204608048	ZMTHPARHFRIZSH-UHFFFAOYSA-N	372.425	2.445	10	10	FECE	
CO[C@H](C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-])C1CN(C(=O)OC(C)(C)C)C1	2218740254	IJXDSKCGHQRYCG-XQQFMLRXSA-N	353.423	2.216	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(N)cc1)[C@@H](O)C(F)(F)F	2254203840	JOEXWWPHEWTQNJ-WDEREUQCSA-N	363.336	2.024	10	10	FECE	
CNC(=O)c1cncc(C=CC(=O)NCCCSc2nccs2)c1	2297574095	FFYLZPNNCRABHQ-UHFFFAOYSA-N	362.480	2.210	10	10	FECE	
CNC(=O)c1cncc(C=CC(=O)N2C[C@H](C)C(=O)Nc3ccccc32)c1	2297665985	ICDBXLDHZHCSCS-ZDUSSCGKSA-N	364.405	2.076	10	10	FECE	
C[C@H]1CN(CC2CCN(C(=O)C=Cc3ccc(O)c(O)c3)CC2)C[C@H](C)O1	2307986857	ISBPJJFBDKOHOF-HOTGVXAUSA-N	374.481	2.459	10	10	FECE	
C[C@@H](O)[C@@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S	2323827317	TUBVRSSLFPCFRC-KBUNVGBDSA-N	373.839	2.081	10	10	FECE	
C[C@H]1N(C(=O)OC(C)(C)C)C[C@@]1(NCc1ccc(N(C)C)cc1)C(=O)O	2349140876	RXBJBRSEMLQHKC-YJYMSZOUSA-N	363.458	2.305	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CSCN2C(C)=O)cc1F	108996550	LIDIBEMPEKUMQI-INIZCTEOSA-N	353.463	2.210	10	10	FECE	
Cc1noc(CCNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n1	102035577	CETLCAOARCTQGD-HNNXBMFYSA-N	360.414	2.017	10	10	FECE	
O=C(NCc1ccccc1NC(=O)C(F)(F)F)c1cc(O)c(O)c(O)c1	216810577	STWGQLLHVPYQHS-UHFFFAOYSA-N	370.283	2.234	10	10	FECE	
CC[C@@H]1CO[C@@H](C)CN1c1cc2c(cc1Br)[C@@H](N)C(=O)N2	221242018	YJJPNKCNELSZDD-ATEUNZGCSA-N	354.248	2.405	10	10	FECE	
O=C(NCc1ccc(N2CCSCC2)cc1)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O	249390948	BREICVMSDHZRBI-BHEBFOIGSA-N	373.522	2.151	10	10	FECE	
CN1CCCc2cc(CNC(=O)[C@H]3CCc4nnc(C5CC5)n4C3)ccc21	368040270	HZDUYEBSOYSFJJ-KRWDZBQOSA-N	365.481	2.417	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(c2nnc3n2CCC3)CC1	378554196	QWHQXEUVSBSGPJ-GQCTYLIASA-N	354.410	2.055	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N1CCCSCC1	817859380	BUCSOXQWJGICFY-OAHLLOKOSA-N	363.527	2.074	10	10	FECE	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21	827158654	SNMSHPYQPLRQRR-JENIJYKNSA-N	355.482	2.455	10	10	FECE	
C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCN1C	823548587	REYCDAVGJNYJMX-LPHOPBHVSA-N	374.529	2.272	10	10	FECE	
Cc1cc(C(=O)CN2CC[C@@H](O)[C@@H](CO)C2)c(C)n1-c1ccc(F)cc1	839665910	IYGLHHIVUKXVBD-DNVCBOLYSA-N	360.429	2.091	10	10	FECE	
CN1CCCc2cc(CNC(=O)c3cc4c(nc3O)CCOC4)ccc21	900433464	MRUDZICGZWOQCI-UHFFFAOYSA-N	353.422	2.172	10	10	FECE	
CN(C(=O)c1c[nH]nc1[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccn(C)n1	832368582	BKLCBRSPWLUZPM-LBPRGKRZSA-N	374.445	2.144	10	10	FECE	
CCc1noc2ncc(S(=O)(=O)Nc3ccc(O)cc3COC)cc12	840916740	CANSCEJPAABEME-UHFFFAOYSA-N	363.395	2.438	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)N3CCC[C@H](C)C3)CC2)cc1	743357723	DSHBKVMMWBWCRL-KRWDZBQOSA-N	360.502	2.259	10	10	FECE	
O=C(NCc1cc(Br)ccc1O)C(=O)C1CCSCC1	840926267	BMGLYXFSZKNGSS-UHFFFAOYSA-N	358.257	2.483	10	10	FECE	
COc1cc(O)c(CN2CCCC[C@@H]2[C@@H]2C[C@H](N)CCO2)cc1OC	844911566	PAWCCOQVKJTRJY-INMHGKMJSA-N	350.459	2.270	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCN3CC(F)(F)F)C2)cc1	855223468	AJLNCDQCMFLVDR-BBRMVZONSA-N	371.403	2.417	10	10	FECE	
C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CN(C)C(=O)N3)cc2Cl)C1	854344532	QFPWLWRBJMBOIK-DOMZBBRYSA-N	364.877	2.216	10	10	FECE	
CC(C)[C@H](N)CCNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	851691438	IOGIXWYBGUMVCY-QGZVFWFLSA-N	373.453	2.004	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3CCN(C(C)(C)C)C3)C2)cc1	852447429	AZPYVRYPZUSGCR-CVEARBPZSA-N	360.502	2.446	10	10	FECE	
CCOc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2O)cc1CO	753018137	SXCIQTDGOMXPLI-UHFFFAOYSA-N	359.350	2.362	10	10	FECE	
Cc1cc(CC(=O)OCC(=O)c2cn(C)nn2)c(C)n1-c1ccccc1	853933115	YJECZRZIQQQORG-UHFFFAOYSA-N	352.394	2.191	10	10	FECE	
COc1ccc(N2CCN(CCCNCc3cnn4c3CCC4)CC2)cc1	850013735	OOFAIRUKXFNZGE-UHFFFAOYSA-N	369.513	2.140	10	10	FECE	
Cc1cc(CCNC(=O)Cn2cc([C@@H](C)O)nn2)c(C)n1-c1ccccc1	763024311	DMZNNCCAQNCBJX-MRXNPFEDSA-N	367.453	2.098	10	10	FECE	
COC[C@]1(C(=O)OC)CCCN1Cc1c(O)cccc1Br	862419028	NCNNUULRIXGJEH-HNNXBMFYSA-N	358.232	2.309	10	10	FECE	
COc1cccc(CNC[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)c1O	1964582554	IKCBLGUAWWUFKH-AWEZNQCLSA-N	366.458	2.374	10	10	FECE	
Nc1ccc(CS(=O)(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1	705901487	RXJLZYISPSYSMX-KDURUIRLSA-N	371.506	2.162	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H]3CCC[C@H](C2)C3O)N(C)C)cc1	1251501557	UEMWJDUMKUBRIF-ZCQXEVHSSA-N	374.529	2.158	10	10	FECE	
CN(c1ccc(CNC(=O)[C@@H]2CSCC(=O)N2)cc1)C1CCCCC1	1442445944	KYUWEBVISPJXPF-KRWDZBQOSA-N	361.511	2.303	10	10	FECE	
CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(N=NC(N)=O)cc1	1440742751	APBTVXICZMXJHI-GXFFZTMASA-N	363.443	2.279	10	10	FECE	
C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2ccc(O)c(O)c2)C1	2118184907	PYRNPBXCRQUBPA-GXSJLCMTSA-N	360.332	2.017	10	10	FECE	
CCCNC(=O)CCn1c(C2CC2)nnc1N(C)Cc1ccccc1O	1614961069	FJYLYQOPXRPLSN-UHFFFAOYSA-N	357.458	2.414	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1[nH]cnc1C(=O)c1ccccc1	1611431809	STDMQFCXIYYWCX-GFCCVEGCSA-N	365.389	2.413	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)cc1	1622861218	OODJERVLEUVCIU-HNNXBMFYSA-N	357.414	2.370	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CCC[C@@H]3CN=[N+]=[N-])[C@@H]2C1	2124536370	QUIFJJSGPXXWFV-RFGFWPKPSA-N	365.434	2.170	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)C1	2124544045	ZIZRRPSFJVZFND-DYVFJYSZSA-N	367.450	2.155	10	10	FECE	
O=C(NCc1cc(O)ccc1O)c1cccc(NC(=O)[C@@H]2CCCO2)c1	1651222983	VIFPSARKZSIEIR-KRWDZBQOSA-N	356.378	2.145	10	10	FECE	
Cc1cc(CCNC(=O)N2CC(=O)N[C@@H](C)C2)c(C)n1-c1ccccc1	1684322329	MFSHPLZVVWYDDS-AWEZNQCLSA-N	354.454	2.167	10	10	FECE	
CCCn1cccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1=O	1861866322	ZUIVJDBIBTXVGE-UHFFFAOYSA-N	355.438	2.229	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)O2)c1O	2139740825	DEHPFECDWBJMGL-CABCVRRESA-N	364.442	2.389	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@](C)(CNCc2ccc(O)cc2O)C1	2026839823	XTTWLVWQTIGCMP-SFHVURJKSA-N	352.431	2.213	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2060635384	LHRMEQXSKAOTOE-QWHCGFSZSA-N	355.439	2.344	10	10	FECE	
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)N(C)c1ccc(N)cc1	2106657735	GVIGJPURBCHADI-CQSZACIVSA-N	362.474	2.173	10	10	FECE	
CO[C@@H]1CN(Cc2cc(N)ccc2O)[C@@](C)(CNC(=O)OC(C)(C)C)C1	2106682469	VBKFYFSGXDJMQX-HNAYVOBHSA-N	365.474	2.479	10	10	FECE	
COCCNCc1ccc(N(CCC(N)=O)Cc2ccccc2)c(F)c1	2095890560	QGDMEMMSACWSDO-UHFFFAOYSA-N	359.445	2.444	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](NCc2ccc(O)c(O)c2O)C1	2219139758	BFKMEXJNQVGTAK-NWDGAFQWSA-N	356.394	2.241	10	10	FECE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CCCC12CC2	2219876204	VUWMIAMRTAPQMT-VLXJIEOASA-N	350.459	2.480	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2OCC[C@@]2(C(=O)NCC2(CN=[N+]=[N-])CC2)C1	2278990376	VYDIPPZKOYKIKN-SJKOYZFVSA-N	365.434	2.219	10	10	FECE	
COc1cc(C=C2SC(=S)N([C@H](C)C(=O)O)C2=O)cc(OC)c1O	2297448936	LIWMOTODMOVWHO-SSDOTTSWSA-N	369.420	2.084	10	10	FECE	
Cc1c(C=CC(=O)N2CCCc3cc(S(C)(=O)=O)ccc32)cnn1C	2304247590	RAPRBBJPMHSJET-UHFFFAOYSA-N	359.451	2.125	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@H](NCc3ccc(O)c(O)c3)CO2)C1	2337257729	IXZVMGDMFNOCDH-AWEZNQCLSA-N	364.442	2.356	10	10	FECE	
O=S(=O)(CCNCc1c(O)cccc1Br)C(F)(F)F	2224286718	GRBLDSPDTANYCJ-UHFFFAOYSA-N	362.167	2.179	10	10	FECE	
CN(c1ccc(CO)c(Br)c1)[C@@H]1CC[C@H](S(C)(=O)=O)C1	2361702558	RGTYDWWCPVIKEJ-YPMHNXCESA-N	362.289	2.343	10	10	FECE	
Cc1ccc(C(=O)N2CCC(NC(=O)c3ccoc3C)CC2)c(O)c1O	182313254	NJIUITRSEFHDSN-UHFFFAOYSA-N	358.394	2.342	10	10	FECE	
CCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(-c3ccccc3C)c2C)C1=O	44030113	SEEKCLUVAZTSQV-UHFFFAOYSA-N	367.405	2.396	10	10	FECE	
CCn1cc([N+](=O)[O-])c(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)n1	191559589	CEJFETAWWFDBOY-UHFFFAOYSA-N	373.413	2.172	10	10	FECE	
CCOc1ccc(N2CN=c3sc(=Cc4ccc(C)o4)c(=O)n3C2)cc1	254595145	ZTCSQQKGKWYITE-UHFFFAOYSA-N	369.446	2.094	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCO[C@@H](c4cccc(O)c4)C3)cc2N1	362449739	CYVMKVFLEHHDBD-QGZVFWFLSA-N	371.349	2.209	10	10	FECE	
CC(=O)C(=O)COC(=O)C1C[C@@H]2CCC[C@H](C1)C2NC(=O)OC(C)(C)C	808549781	QCQFUGGGXIHAOT-KKNUOHPOSA-N	367.442	2.407	10	10	FECE	
CCn1ncc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)n1	292861070	APYJMUHNBOOHKH-QGZVFWFLSA-N	357.458	2.185	10	10	FECE	
CO[C@H](C)[C@@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	290827117	BEYBRJSCLSHACV-CHWSQXEVSA-N	353.438	2.009	10	10	FECE	
CC(C)[C@@](C)(CO)NC(=O)NCc1ccc(N2CCSCC2)cc1	812005522	HQSBGWPWOFYXDJ-GOSISDBHSA-N	351.516	2.446	10	10	FECE	
O=C([C@@H]1CCc2nc[nH]c2C1)N(Cc1ccccc1O)C[C@H]1CCCO1	830899579	HREYADAVWZPHES-GDBMZVCRSA-N	355.438	2.428	10	10	FECE	
COC[C@@](C)(O)CCNC(=O)N(Cc1ccco1)Cc1ccccc1O	838637135	LKZVGMSAPOUSNM-IBGZPJMESA-N	362.426	2.485	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1(N2CCOCC2)CCC1	839919069	FFOHDRKVRCCYOH-KRWDZBQOSA-N	359.514	2.363	10	10	FECE	
CC[C@@]1(C2CC2)NC(=O)N(CN(C)CCN(C)c2ccc(OC)cc2)C1=O	844725194	HUVYTTYCXSBUHK-FQEVSTJZSA-N	374.485	2.131	10	10	FECE	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCOC1CCOCC1	925440727	UOYSTFSMADRJEB-UHFFFAOYSA-N	368.817	2.005	10	10	FECE	
NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H]3CCCN4CCCC[C@@H]34)cc2)C1	924729022	MBSZGFHWXRSUDQ-GIVPXCGWSA-N	370.541	2.495	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc(C(=O)N(C)C)cc3)C2)cc1	855229043	HAWPSHCPCLXWLX-KRWDZBQOSA-N	367.449	2.406	10	10	FECE	
Cc1cc(Br)cc([C@H](C)NC[C@]2(OCCO)CCOC2)c1O	850510984	ZANMREMSZGYFLB-BLLLJJGKSA-N	374.275	2.282	10	10	FECE	
Cc1cc(C(=O)CN2C[C@@H](O)C[C@@H](O)C2)c(C)n1-c1ccc2c(c1)CCC2	752309012	FFMGOMMECOHXMV-BGYRXZFFSA-N	368.477	2.193	10	10	FECE	
Cc1nc(S(=O)(=O)N[C@@H](C)c2ccccc2O)c(Br)n1C	867836247	LDLBRUCUVKXXFP-QMMMGPOBSA-N	374.260	2.236	10	10	FECE	
CCCOc1cncc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)c1	861747651	HDNNIVPMXCMAKS-UHFFFAOYSA-N	370.453	2.500	10	10	FECE	
CN(C)c1ccc(CNC(=O)CCc2nc(-c3ccncc3)no2)cc1	11000975	KBAJYMAHHGIANS-UHFFFAOYSA-N	351.410	2.447	10	10	FECE	
Cc1cc(C(=O)COC(=O)[C@@H]2NC(=O)O[C@H]2C)c(C)n1-c1ccc(F)cc1	786064510	BTQIZYXRSIQGRB-YVEFUNNKSA-N	374.368	2.456	10	10	FECE	
COCCOCCc1ncc(C(=O)NCc2c(O)ccc3c2CCCC3)[nH]1	1137443686	YXAANPCKIJCHDC-UHFFFAOYSA-N	373.453	2.130	10	10	FECE	
O=S(=O)(NC1CCCC1)C1CN(Cc2c(O)ccc(Cl)c2F)C1	792173368	CRVVNBYDVHPVIP-UHFFFAOYSA-N	362.854	2.231	10	10	FECE	
Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)NCc1cccc(O)c1O	1153798654	UUBMCTQCLTWPIB-UHFFFAOYSA-N	362.386	2.108	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)Cc2ccc3c(c2)OCO3)N(C)C)cc1	1289599449	CBMFUCXYOCIIRB-SFHVURJKSA-N	369.465	2.443	10	10	FECE	
C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO)c1cc(O)ccc1O	2116276204	ZNXXXSJOHZOOCA-HEHGZKQESA-N	366.458	2.366	10	10	FECE	
CCCNC(=O)Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1O	1294910270	LPUNRCDCXXBYEY-UHFFFAOYSA-N	357.458	2.099	10	10	FECE	
COC(=O)N1CCC([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)CC1	1556259078	LRFGXKPJGQLHPI-LLVKDONJSA-N	361.402	2.446	10	10	FECE	
C[C@H](NC(=O)c1cnc2c[nH]nc2c1)c1ccc(N2CCOCC2)cc1	1631363676	YARSDVIFZHCJAC-ZDUSSCGKSA-N	351.410	2.286	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)N2CC(=O)N(C)[C@@H](C)C2)CCCC1	1633765201	NAHWMLXMVUUKIH-AWEZNQCLSA-N	369.465	2.218	10	10	FECE	
Cc1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c(O)c1O	1645709564	YRNQDOWBPVSRIR-DGCLKSJQSA-N	350.415	2.391	10	10	FECE	
C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(F)cc1)c1ccccc1O	1587444753	NWBBIGYKQLYBMI-GFCCVEGCSA-N	366.414	2.077	10	10	FECE	
CCc1c(OCCCOc2ccc(N)cc2)c(=O)ccn1CCC(=O)O	1857913649	SHWSAMUAFHQSCR-UHFFFAOYSA-N	360.410	2.316	10	10	FECE	
CC[C@@H](CNC(=O)c1ccn(-c2ccc(N)cc2)n1)NC(=O)OC(C)(C)C	2162518547	UFCUPAKLGFTFRO-AWEZNQCLSA-N	373.457	2.488	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C(=O)C(=O)C[C@H]1C[C@H](N)C1)C2	2049780307	IDNNPANBOMPPCA-XDJZACDYSA-N	350.459	2.336	10	10	FECE	
CN(c1cc2c(cc1N)OCC(=O)N2)[C@H]1CCN(Cc2ccccc2)C1	388589829	LQQSLZPVPDVYJI-HNNXBMFYSA-N	352.438	2.310	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Nc1c(N)cccc1C(=O)O	2058685393	WGPPHJOILJQVOI-OLZOCXBDSA-N	351.403	2.013	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2060636788	BOYJJUPXQAUMQF-STQMWFEESA-N	353.423	2.218	10	10	FECE	
COc1ccc(O)c([C@H](C)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1	2062450588	HXUFHDNUEJHRDN-PEYYIBSZSA-N	352.431	2.032	10	10	FECE	
C[C@H]1CN(CC(=O)Nc2ccc(N)cc2)CC[C@H]1NC(=O)OC(C)(C)C	2106753825	LCBINEHJSJIDPW-XJKSGUPXSA-N	362.474	2.442	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CCCc3cc(N)ccc32)=C[C@H]1O	2200986479	BNZJJKHFAGZVGA-DOTOQJQBSA-N	373.453	2.132	10	10	FECE	
C[C@]1(Br)CN(S(=O)(=O)Cc2ccc(N)cc2)C[C@@]1(C)F	2205663433	GPVKYODTHJSLCY-QWHCGFSZSA-N	365.268	2.296	10	10	FECE	
Nc1ccc(CNS(=O)(=O)Cc2ncsc2Br)cc1	2226099763	XZWYCSGBSJXAHW-UHFFFAOYSA-N	362.274	2.107	10	10	FECE	
CN(C[C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(CN)c(Br)c1	2285297870	XJEMNPDTOVHWHK-MJHDQNEOSA-N	361.305	2.167	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@]12CCO[C@H]1CN(C(=O)OC(C)(C)C)C2	2315991217	VLWVHJRXSDNQLK-LRDDRELGSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1C(=O)N1CCc2cc(O)c(O)cc2C1	2341194671	WYAUTLDXVRWNHM-UONOGXRCSA-N	362.426	2.286	10	10	FECE	
Cc1cc(NS(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)c(C)c(C)c1O	187061837	NQKXDPUGPJZCQF-UHFFFAOYSA-N	365.455	2.159	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1C(=O)N1CCc2cc(O)c(O)cc2C1	2366907555	HDSPREJMEHLLLB-ZQIUZPCESA-N	374.437	2.238	10	10	FECE	
CN(c1ccc(CNC(=O)N2CC[C@H](NC(N)=O)C2)cc1)C1CCCCC1	270763014	QNQLYQYPLSMESD-INIZCTEOSA-N	373.501	2.408	10	10	FECE	
COc1ccc(-n2c(C)cc(C(=O)N3CC(n4ccnn4)C3)c2C)cc1	374806236	LEGSTBWCJBEYIL-UHFFFAOYSA-N	351.410	2.391	10	10	FECE	
CCc1nc(C(=O)OCC(=O)C(C)=O)nn1-c1c(Cl)cccc1Cl	808511228	XMGJTJBOERAIKP-UHFFFAOYSA-N	370.192	2.451	10	10	FECE	
Cc1nccnc1CCNC(=O)NCc1cc(Br)ccc1O	836487964	UETSSMZLMZHQEU-UHFFFAOYSA-N	365.231	2.295	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCc1nnc2n1CCC2	840321448	PLMUZFHUDUJIOM-HNNXBMFYSA-N	370.501	2.072	10	10	FECE	
CCOC(=O)c1cc(C(=O)N(C)CCN(C)c2ccc(OC)cc2)on1	846446798	QNRHWXXFLHYDBY-UHFFFAOYSA-N	361.398	2.068	10	10	FECE	
C[C@H](NC(=O)N(C1CC1)[C@H]1CCNC1)c1ccc(N2CCOCC2)cc1	841742305	VUQAGJPXJKBBKM-KXBFYZLASA-N	358.486	2.120	10	10	FECE	
COC(=O)CC1CC(NC(=O)N(C)CCN(C)c2ccc(OC)cc2)C1	924936936	WHEJUJFJBFYOHB-UHFFFAOYSA-N	363.458	2.115	10	10	FECE	
O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)N1Cc2cccc(O)c2C1	929739334	MTBJXMWIZZQJKG-UHFFFAOYSA-N	367.405	2.412	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](C)Cn2cncn2)c1	858558264	MAFRGWVECRCZSB-ZDUSSCGKSA-N	351.410	2.317	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCN1C1CCOCC1	927646507	WCJHWEIFKDCWEM-LJQANCHMSA-N	360.502	2.147	10	10	FECE	
CN1CC[C@@](Cc2ccccc2)(C(=O)NCc2c(O)cccc2F)C1=O	928705695	LCSAZVXUBNUVNO-HXUWFJFHSA-N	356.397	2.239	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1(NC2CC2)CCC1	852861024	YRDLWEVYTXUPCA-UHFFFAOYSA-N	361.461	2.078	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCC[S@](=O)C(C)(C)C)C2)cc1	852118021	CXKXGPZUDRFADT-PWECECGKSA-N	367.515	2.120	10	10	FECE	
O=[N+]([O-])c1cc(Cl)cc(CNCC[S@@](=O)CC(F)(F)F)c1O	850348699	RXNNRXMULSZJEO-JOCHJYFZSA-N	360.741	2.354	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCN(C4CC4)C3)C2)cc1	852182261	MLMOSPUFGCWSAE-HOTGVXAUSA-N	358.486	2.057	10	10	FECE	
Fc1cc(CN[C@@H]2CCCOC2)ccc1N1CCN(c2ncccn2)CC1	765276712	NKAHCADIMYVSRO-QGZVFWFLSA-N	371.460	2.211	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1ncccc1O	768911586	QFLJUNXTNBFFQW-UHFFFAOYSA-N	366.465	2.249	10	10	FECE	
COc1cc(O)c(CN2CCc3nc[nH]c3C23CCOCC3)cc1OC	895071876	VRUYNAIDDOLXEA-UHFFFAOYSA-N	359.426	2.197	10	10	FECE	
CCN(CC)CC[C@@H](CO)NC(=O)c1cc2cc(O)c(O)cc2s1	897635108	XOYQJIZYPOYCQM-LBPRGKRZSA-N	352.456	2.135	10	10	FECE	
COCCN(Cc1ccnn1C)C(=O)NCc1ccc(N(C)C)cc1C	787243949	UJSSTDMCBGVFTM-UHFFFAOYSA-N	359.474	2.153	10	10	FECE	
CC(C)(CN1CCOCC1)NC(=O)c1cc2cc(O)c(O)cc2s1	898128508	RERQZHVIMYMHHQ-UHFFFAOYSA-N	350.440	2.153	10	10	FECE	
CC(=O)N(c1ccc(N)cc1)c1nn2c(nc3cc(C(=O)O)ccc32)[nH]1	82741149	MKXONTGMDUVMKR-UHFFFAOYSA-N	350.338	2.176	10	10	FECE	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H](F)C3)cc2)CC1	1345616256	CEYUQDWSTRAQGG-QZTJIDSGSA-N	361.461	2.500	10	10	FECE	
C[C@@H](CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@@H]1CCCO1	1350450176	XTMOSPSTBAVIGH-KXBFYZLASA-N	373.497	2.210	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3ccc(N(C)C)cc3)cc2)CC1	1536523842	LPOLLUNHNWIKMD-UHFFFAOYSA-N	352.482	2.434	10	10	FECE	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21	1569094224	ZIQUXZYRUYTCJB-BONVTDFDSA-N	367.448	2.104	10	10	FECE	
COC(=O)[C@H](C)Oc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1F	1640656198	HLGBMFUDWGTVSV-JTQLQIEISA-N	363.341	2.358	10	10	FECE	
COc1cccc(CNC(=O)NCC2(NC(=O)OC(C)(C)C)CC2)c1O	1676374470	VDCBLSNRNCDAQS-UHFFFAOYSA-N	365.430	2.257	10	10	FECE	
C[C@@H](CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1)N1CCN(C)CC1	1685806058	MXFVYXBRDUEZHC-SFHVURJKSA-N	373.545	2.064	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CCN(C(=O)CC(C)C)C3)CC2)cc1	1858362503	FJSWMFUXXMSPTE-QGZVFWFLSA-N	373.497	2.238	10	10	FECE	
CCN(CC)CCNC(=O)c1ccc(/N=N/N2CCN(CC)CC2)cc1	1860480844	HMEHELYGMKYIOX-QURGRASLSA-N	360.506	2.394	10	10	FECE	
C[C@@H](C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1)N1CC(NC(=O)OC(C)(C)C)C1	2131758097	ROVKQSXUTOJKFT-QWHCGFSZSA-N	366.466	2.275	10	10	FECE	
CCOCCOC(=O)CNCc1cc(Cl)cc(Br)c1O	1857872885	HDJKSNIHQVBETF-UHFFFAOYSA-N	366.639	2.477	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1CC=CC1	2136259061	OTIVDYBMPUNAAI-AWEZNQCLSA-N	362.426	2.368	10	10	FECE	
C[C@@H](O)c1ccc(N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c(Br)c1	2145050188	PGYAIJDEURIATB-OLUVUFQESA-N	360.273	2.126	10	10	FECE	
CN(C(=O)CN1C[C@H]2CC[C@H]1[C@H]2NC(=O)OC(C)(C)C)c1ccc(N)cc1	2184065893	KEHSJAUQZQXBHV-SKDZVZGDSA-N	374.485	2.219	10	10	FECE	
CO[C@@H]1C[C@H](C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)C1	2060613518	RWTPECYGXDWXKT-JHJVBQTASA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(C(=O)NCCCCN=[N+]=[N-])C1	2060615787	SGTKUGSNUDTVML-WBMJQRKESA-N	353.423	2.219	10	10	FECE	
CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(CCOc2ccc(N)cc2)C1	2106737542	NVUUPTABBFREQG-DOTOQJQBSA-N	365.474	2.262	10	10	FECE	
CN(C)C[C@@H]1COC[C@@H]1NCc1cc(Cl)cc(Br)c1O	2206378296	MPUMSQYCDYMOFN-MFKMUULPSA-N	363.683	2.474	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2253543048	BUGMRDHRBWWNOS-XQQFMLRXSA-N	353.423	2.048	10	10	FECE	
CN(C)c1ccc([C@@H](CN)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)cc1	2332364122	WRJXVINFEABPRV-RCCFBDPRSA-N	360.502	2.446	10	10	FECE	
CCS(=O)(=O)C[C@H](C)NCc1ccc(C)c(Br)c1O	2352669321	CPDCBQJYOKICDG-JTQLQIEISA-N	350.278	2.376	10	10	FECE	
O=C(CSc1nc(-c2ccco2)nc2cc(=O)[nH]n12)Nc1ccccc1	6915794	UQTLHMODJHFKJS-UHFFFAOYSA-N	367.390	2.408	10	10	FECE	
COC(=O)[C@H](Cc1ccccc1)NC(=O)CN(C)c1ccc(OC)c(F)c1	177067840	RCZFSJFTTZYIQC-KRWDZBQOSA-N	374.412	2.171	10	10	FECE	
COc1cc(Br)c(Br)c([C@@H](N)C(=O)O)c1O	220892638	LQZXINFNZNAXIE-SSDOTTSWSA-N	354.982	2.010	10	10	FECE	
NS(=O)(=O)c1cccc(CNCc2cccc(Br)c2O)c1	48797166	SDYINOUBDYDMKE-UHFFFAOYSA-N	371.256	2.092	10	10	FECE	
COc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)c(OC)c1OC	268549787	IGFSEOUZGKAAEX-UHFFFAOYSA-N	362.382	2.488	10	10	FECE	
CNC(=O)OCCOC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	809059313	JTIRPKGXPLZHOT-UHFFFAOYSA-N	373.453	2.307	10	10	FECE	
CC(C)(C)O[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1	828496847	JVWKMEZUCQUYQG-SAABIXHNSA-N	371.481	2.141	10	10	FECE	
COC[C@@](C)(O)CCNC(=O)NCc1cc(Cl)cc(Cl)c1O	836534104	PGVANTQKZKIFIY-AWEZNQCLSA-N	351.230	2.286	10	10	FECE	
C[C@@H](Cc1cnn(C)c1)C(=O)NCc1cc(Br)ccc1O	837642781	CTHXGGLXIYICNP-JTQLQIEISA-N	352.232	2.383	10	10	FECE	
CCOC(=O)c1c(C)csc1NC(=O)C(=O)NCc1ccccc1O	743901414	GXPTVDQPKSAIDW-UHFFFAOYSA-N	362.407	2.194	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)c2coc3c2C(=O)NCCC3)cc1	911894017	WIBFNYIFBSGPQF-UHFFFAOYSA-N	371.437	2.173	10	10	FECE	
COc1ccc(N2CCCN(C(=O)c3ccc4c(n3)OCCO4)CC2)cc1	846830420	XTDFMSWXDLNUNB-UHFFFAOYSA-N	369.421	2.214	10	10	FECE	
COc1ccc(N2CC[C@H](N[C@H]3CCCC[C@@H]3S(C)(=O)=O)C2)cc1	850489469	UTSGJDGFYISUQZ-WBAXXEDZSA-N	352.500	2.219	10	10	FECE	
CCON1CCC(CC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	855225780	QFHIVVJAGKDDRZ-KRWDZBQOSA-N	361.486	2.444	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cccc([N+](=O)[O-])c3O)C2)cc1	855233955	PWJCKGSJACHGSD-LBPRGKRZSA-N	357.366	2.318	10	10	FECE	
CCn1nc(C)cc1NC(=O)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	861889528	GGTKDMOECSAGNZ-AWEZNQCLSA-N	371.485	2.272	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCc1nc(N(C)C)no1	1135800849	SCKIZEGESLCPOK-UHFFFAOYSA-N	357.458	2.327	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccnn1C	1964089255	LBZVYLQQVVFJCM-INIZCTEOSA-N	374.441	2.350	10	10	FECE	
COc1ccc(CNC[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2cncn2C)cc1C	1268003117	JTYPJEWGPFZUBK-ZTFGCOKTSA-N	370.497	2.383	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1sccc1-n1ccnn1	1435288752	WBHNSVFZITVGSM-UHFFFAOYSA-N	355.423	2.434	10	10	FECE	
CN(C)CCCOc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1	1542913404	WTYTWPSBRQJRPK-UHFFFAOYSA-N	358.438	2.287	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C1CN(C(=O)OC(C)(C)C)C1	1568737670	IDOOLYAQJWHBHT-UHFFFAOYSA-N	355.431	2.361	10	10	FECE	
COc1ccc(N2CCN(Cc3nc(C(C)(C)C)n[nH]3)CC2)c(OC)c1	1560083560	ZBGNFMXMEWMDGK-UHFFFAOYSA-N	359.474	2.442	10	10	FECE	
O=C(N[C@H]1C[C@@H](C(=O)NCc2c(O)cccc2O)C1)OCc1ccccc1	1597573761	FVEHVUAEOLDSRN-GASCZTMLSA-N	370.405	2.419	10	10	FECE	
CCOCc1nnc(N(C)Cc2ccccc2O)n1CCn1cc(C)cn1	1767774173	KQDYQLRIGWORQP-UHFFFAOYSA-N	370.457	2.362	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCc1nc(C(N)=O)cs1	1684103842	JHCQRLOKSGAGAJ-UHFFFAOYSA-N	373.482	2.184	10	10	FECE	
Cc1cc(=O)c(OCC(=O)OC(C)C)cn1CCOc1ccc(N)cc1	1857916589	CJUGMVYZUAAOOV-UHFFFAOYSA-N	360.410	2.148	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H](NCc3ccc(O)cc3O)CO2)C1	2137113395	WPOMIVPXOPPCHL-IFXJQAMLSA-N	364.442	2.356	10	10	FECE	
Cc1cc(Br)cc(CN2C[C@@H]3[C@H](CCS3(=O)=O)C2)c1O	2145071845	OHIDLYUISPJFAH-ZWNOBZJWSA-N	360.273	2.082	10	10	FECE	
CC(C)(C)OC(=O)NC1(CNS(=O)(=O)Cc2ccc(N)cc2)CCC1	2044252232	ATWNEUUDIKFZOZ-UHFFFAOYSA-N	369.487	2.136	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)Cc1ccc(N)cc1	2044618696	FDUMNOQSBRBIRL-ZFWWWQNUSA-N	351.422	2.275	10	10	FECE	
CCN(CC(=O)Nc1ccc(N)cc1)C[C@@H](C)NC(=O)OC(C)(C)C	2044676230	DYAYHEORQHJCFG-CYBMUJFWSA-N	350.463	2.442	10	10	FECE	
CN(C(=O)C1=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1	2080948259	SHCQNRQPOLDFJT-LSDHHAIUSA-N	350.390	2.373	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@]1(C)C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2081170577	OLGPXAAOOPKUBS-WBMJQRKESA-N	353.423	2.314	10	10	FECE	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(CCOc2ccc(N)cc2)CCO1	2106668608	JOISPIISLWZMCE-PBHICJAKSA-N	365.474	2.262	10	10	FECE	
C[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(O)[C@H](N)c1ccc2c(c1)CCN2C	2106849630	YMKYITZZSBZGLT-ZLXGRDSLSA-N	361.486	2.439	10	10	FECE	
CCCOc1cc(N2CCN(C(=O)OC(C)(C)C)C[C@H](O)C2)ccc1N	2106874843	WMYBUBXNSUCYIY-OAHLLOKOSA-N	365.474	2.476	10	10	FECE	
Cc1c(C=CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cnn1C	2304152752	FOCGPVNNFOJKDV-UHFFFAOYSA-N	358.417	2.034	10	10	FECE	
Cc1cc(N2CCC(NC(=O)C=Cc3ccc(O)c(O)c3)CC2)nc(C)n1	2307989570	CTOVXDHDVWAMSI-UHFFFAOYSA-N	368.437	2.303	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(NCc3cccc(F)c3O)CO[C@H]1C2	2312834666	PUIFCEPQECHGNQ-QWQRMKEZSA-N	352.406	2.446	10	10	FECE	
COc1ccc(OC)c([C@H]2CC(=O)NC(NC(=O)c3cccs3)=N2)c1	20925217	UHCCCHBISAJDHL-GFCCVEGCSA-N	359.407	2.112	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccnc1-n1cncn1	46097786	DWYQRVNPOSSOIG-UHFFFAOYSA-N	365.441	2.070	10	10	FECE	
O=C(Cn1c(=O)[nH]c2ccccc21)NCc1ccc(N2CCCC2)cc1	76991213	JTZVFVKPRUVQDK-UHFFFAOYSA-N	350.422	2.246	10	10	FECE	
CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NCCc1ccc(O)c(O)c1	98074542	DUKOBWHZDWUYQA-GOSISDBHSA-N	374.412	2.350	10	10	FECE	
CN(c1ccc(CNC(=O)N2CCNC(=O)CC2)cc1)C1CCCCC1	105199200	QYCWNJFGCZYWPG-UHFFFAOYSA-N	358.486	2.487	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccnnc1	154705798	ADROMNWHHSZLAG-UHFFFAOYSA-N	366.343	2.262	10	10	FECE	
COc1ccc(O)c([C@H](C)N[C@@H](CC(C)C)C(=O)NCCN(C)C)c1	756857488	KBQVGZCXUKRNGE-YOEHRIQHSA-N	351.491	2.144	10	10	FECE	
COc1ccc(NS(=O)(=O)c2cccc3nonc23)c(OC)c1OC	765084923	ZHQPVIYOSGMXIF-UHFFFAOYSA-N	365.367	2.049	10	10	FECE	
Oc1cc2c(cc1CN1CCC(c3nnc4ccccn34)CC1)[C@@H](O)CO2	768443172	ZWPUWKQRCMOETM-KRWDZBQOSA-N	366.421	2.240	10	10	FECE	
Cc1cc(CCNC(=O)NC[C@]2(O)CCO[C@@H]2C)c(C)n1-c1ccccc1	788850866	CEKWJEXBKOQQPG-DYESRHJHSA-N	371.481	2.476	10	10	FECE	
COc1cc(NS(=O)(=O)c2ccc(F)c(NC(C)=O)c2)ccc1O	797820068	DUIHJAXACWVKSJ-UHFFFAOYSA-N	354.359	2.299	10	10	FECE	
O=C1COc2cc([N+](=O)[O-])c(N3CCC=C(Br)C3)cc2N1	799324306	AQVVUKGOZISTCL-UHFFFAOYSA-N	354.160	2.415	10	10	FECE	
Cc1occc1C(=O)NCC(=O)NCc1cc(Br)ccc1O	804732892	DRIZVYIEELVLFD-UHFFFAOYSA-N	367.199	2.102	10	10	FECE	
COCC[C@H](COC)NC(=O)NCc1ccc(N2CCSCC2)cc1	811864597	FCCFDQPRGDKYJG-MRXNPFEDSA-N	367.515	2.091	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3ccc([N+](=O)[O-])cn3)C2)cc1	819584651	NZOUVNQJNXLMKI-CYBMUJFWSA-N	356.382	2.255	10	10	FECE	
CO[C@H]1COCC[C@@H]1CNC(=O)NCc1cc(Br)ccc1O	836574715	NCEPNCWWMFIQHB-YGRLFVJLSA-N	373.247	2.005	10	10	FECE	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@H]1CCCOCC1	837710409	OZDXFAGEUHIQDZ-AWEZNQCLSA-N	354.397	2.234	10	10	FECE	
CCOc1ccc([C@@H](C)NC(=O)C(=O)NCCc2ccc(N)cc2)cc1	842079515	APPVDSREJYVEMJ-CQSZACIVSA-N	355.438	2.204	10	10	FECE	
Fc1cc(CN2CC[C@@H](Nc3ncccn3)C2)ccc1N1CCOCC1	843416480	SRUPYJFNOSTHPW-MRXNPFEDSA-N	357.433	2.139	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3cccc(F)c3)C2)cc1	850537979	ZCHHBXDNWALHKP-HNNXBMFYSA-N	357.385	2.168	10	10	FECE	
C[C@]12COC[C@@]1(C)CN(C(=O)NCc1ccc(N3CCOCC3)cc1)C2	852003709	AOGCWFATETUIQK-BGYRXZFFSA-N	359.470	2.091	10	10	FECE	
CN(C)c1ccc([C@@H](N)CNC(=O)c2cccn(C(C)(C)C)c2=O)cc1	870933501	NQRZMJQGZFSSQB-KRWDZBQOSA-N	356.470	2.099	10	10	FECE	
C[C@@H]1C[C@]2(CC[C@H](CNCc3ccc(N4CCN(C)CC4)cc3)O2)CO1	886331208	CFAWNAWKKCKXGG-DUXKGJEZSA-N	359.514	2.255	10	10	FECE	
O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CCN1C1CCOCC1	927633589	ODAJRYLYZFLHGT-HNNXBMFYSA-N	353.850	2.098	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)NCc1c(O)cccc1F	928706333	QQGLAQBWVLWSKR-ABAIWWIYSA-N	368.405	2.077	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1n[nH]c2c1COCC2	929976323	NHIFTKMRVMZGNL-UHFFFAOYSA-N	365.817	2.017	10	10	FECE	
Cc1cccc(-n2c(C)cc(CNC(=O)N3CCNC(=O)CC3)c2C)c1	1234326656	LHVIHBFEYHZSKY-UHFFFAOYSA-N	354.454	2.434	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1	1297728809	QLJVVVZWYZFMNI-OAHLLOKOSA-N	372.429	2.259	10	10	FECE	
Cc1oc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1S(C)(=O)=O	1328819304	LTNCDQQCICPUJM-UHFFFAOYSA-N	362.451	2.304	10	10	FECE	
C[C@@H](NC(=O)C(=O)NC[C@H]1CCC2(CCC2)CO1)c1ccc(N(C)C)cc1	1338554659	BIWFMIWEPIGJAF-CRAIPNDOSA-N	373.497	2.395	10	10	FECE	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC(C(=O)OC(C)(C)C)=NO2)c1	1545683978	GJTSDNWANBWJLX-BONVTDFDSA-N	364.398	2.065	10	10	FECE	
C[C@@H]1O[C@H](C)[C@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)[C@H]1C	1565206296	NNYKKEMKTFDBMK-ZWHCBUBPSA-N	362.518	2.466	10	10	FECE	
C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)NCc1ccccc1	1626737321	PPNMLYHKWAYNJB-GFCCVEGCSA-N	353.382	2.284	10	10	FECE	
CC1(C)CC(=O)c2cc(C(=O)NCc3ccc(O)cc3O)c(O)nc2C1	1638352618	SQGWBKCDQAAJIA-UHFFFAOYSA-N	356.378	2.284	10	10	FECE	
C[C@@H]1CCc2nc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)cn2C1	1643609956	RDXGSICDXHKXAR-MRXNPFEDSA-N	367.497	2.147	10	10	FECE	
Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CC[C@]2(CCOC2)O1	1742754851	UKNVXIMWEMGAMJ-VQIMIIECSA-N	358.442	2.267	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NCc2ccccc2O)CC1	1921700958	DFGQNROGNCMRJA-CVEARBPZSA-N	350.459	2.490	10	10	FECE	
CN[C@H](c1ccccc1O)[C@](C)(O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	1921958825	ARVVXQHRKBEWKC-FRQCXROJSA-N	366.458	2.040	10	10	FECE	
COc1cc(Cl)cc(CN[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c1O	2032630094	MEOKWHBTYNXKID-OLZOCXBDSA-N	372.849	2.436	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1ccc(O)c(O)c1	2054415753	ZQSVHTHHWROUSR-RYUDHWBXSA-N	354.378	2.175	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NCCCCN=[N+]=[N-]	2060610384	HGGBNJINTFVVDX-GFCCVEGCSA-N	351.411	2.052	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NCCc3ccc(O)c(O)c3)C[C@@H]12	2124152481	GPFRJFAIRYLMQD-QUJCMNEKSA-N	362.426	2.060	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCN(c3cc4c(cc3N)OCCO4)[C@@H]2C1	2132363770	FITRCXNMVAFQEC-SWLSCSKDSA-N	361.442	2.486	10	10	FECE	
CN(C[C@H]1CCCN1C(=O)c1cc(O)c(O)c(O)c1)C(=O)OC(C)(C)C	2132403934	NXBPFCKOABCELS-GFCCVEGCSA-N	366.414	2.275	10	10	FECE	
CCCN[C@@](CSc1nccs1)(C(N)=O)C1(Br)CC1	2141670731	RLPVJGQYDBKIQP-LBPRGKRZSA-N	364.334	2.386	10	10	FECE	
Cn1ncc(Br)c1S(=O)(=O)N1CCC[C@H](N=[N+]=[N-])CC1	2155558348	OPCKKNIOHHUKMJ-QMMMGPOBSA-N	363.241	2.036	10	10	FECE	
C[C@@H](CCNC(=O)c1ccn(-c2ccc(N)cc2)n1)NC(=O)OC(C)(C)C	2162517907	KNJZFQKIWKPQGF-ZDUSSCGKSA-N	373.457	2.488	10	10	FECE	
C[C@H](NC(=O)[C@H]1CC[C@@H](O)CN1C(=O)OC(C)(C)C)c1ccccc1O	2264610640	XUQWDAKQDCFZAE-GZBFAFLISA-N	364.442	2.330	10	10	FECE	
Cc1cccc(O)c1CNC[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]2CCN1C2	2342850551	LLUVRCIBHCYREG-JKSUJKDBSA-N	361.486	2.484	10	10	FECE	
O=S(=O)(C(F)F)[C@@H]1CCN(Cc2ccc(Br)cc2O)C1	2368708859	DIXXFJAXRBXMFT-SNVBAGLBSA-N	370.215	2.366	10	10	FECE	
C[C@@H](Sc1ccccc1)C(=O)NCc1ccc(N2CCNC(=O)C2)cc1	42077917	IHQCGKGWLZFUKX-OAHLLOKOSA-N	369.490	2.420	10	10	FECE	
CCOCCNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	93292683	MFRWZKXAYQCVGT-UHFFFAOYSA-N	360.502	2.054	10	10	FECE	
C[C@@H]1C[C@@H](NC[C@]2(CO)COCC3(CCC3)N2C)c2c(O)ccc(F)c21	527955343	NPAPXKCTMJYPBR-RCDCFZSISA-N	364.461	2.285	10	10	FECE	
CCN(Cc1cnn(C)c1)C(=O)/C=C\c1ccc(N2CCOCC2)cc1	255215087	FACLBGIGNMTSPM-TWGQIWQCSA-N	354.454	2.319	10	10	FECE	
COc1ncccc1CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1	255716349	KEFSFJVTGKQSCS-TWGQIWQCSA-N	353.422	2.256	10	10	FECE	
COc1cccc(CNC(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)c1O	278224568	FBCMENMMNCIDSR-ZDUSSCGKSA-N	358.320	2.237	10	10	FECE	
O=C(Nc1c(C2=S=CC=C2)nc2ccccn12)c1cccc2ncnn12	541562092	NIDQFHYCDAVZOR-UHFFFAOYSA-N	360.402	2.255	10	10	FECE	
Cc1nc(C)c(CC(=O)NCc2cc(Br)ccc2O)c(O)n1	804735062	KALRCGWDYGGEJP-UHFFFAOYSA-N	366.215	2.126	10	10	FECE	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC2(CCOCC2)[C@@H]1C	807100994	PFGXDNQSUGCLAZ-INIZCTEOSA-N	373.497	2.095	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@]2(C)CCOC2=O)C1	813294109	ADGARZUWRUCRFW-OAQYLSRUSA-N	369.465	2.230	10	10	FECE	
CCO[C@@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)[C@H]1n1cccn1	815167366	ZRBOTALTKOACJF-VAMGGRTRSA-N	356.470	2.228	10	10	FECE	
C[C@@](O)(C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)C1CCC1	813505115	OGYUAFJQGLXXTF-QFIPXVFZSA-N	371.525	2.386	10	10	FECE	
COCCN1CC[C@H](NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1	826795478	BOLDZGIRFSJXHM-IBGZPJMESA-N	355.482	2.474	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1	824285483	KPKBXOUYKBWKOH-AHRSYUTCSA-N	357.498	2.370	10	10	FECE	
Cc1cc(C(=O)N2CCN(CCO)C[C@H]2C)c(C)n1-c1ccc(F)cc1	837192588	RQUIHIHLVOKDAW-OAHLLOKOSA-N	359.445	2.372	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NCc2ccc(O)cc2O)C1	910942225	AEAXOSXWKRJBGM-GFCCVEGCSA-N	350.415	2.361	10	10	FECE	
C[C@@H](NC(=O)c1csc(C(=O)O)n1)c1ccc(N2CCOCC2)cc1	911294123	VMHVGTPDMDLCFO-LLVKDONJSA-N	361.423	2.169	10	10	FECE	
COC[C@](C)(O)CCNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	840381956	MEEOABMZYYMFBY-HNAYVOBHSA-N	351.491	2.079	10	10	FECE	
Cc1ccc([C@H]2CCN(C(=O)C(=O)NCCc3ccc(N)cc3)C2)cc1	842238377	PEGKDXIQFZZIKG-SFHVURJKSA-N	351.450	2.252	10	10	FECE	
COc1ccc2c(c1)c1c(n2CC(=O)OC[C@@H]2COCCO2)CCCC1	845297860	DSOYRFHISHEMKO-HNNXBMFYSA-N	359.422	2.487	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3cc(F)cc4nn[nH]c34)C2)cc1	855223002	APYCBGFEDMPIGW-LBPRGKRZSA-N	355.373	2.114	10	10	FECE	
Cc1cc(CC(=O)NCCS(=O)(=O)C2CC2)c(C)n1-c1ccccc1	854941217	VAQHUQZLKHGPNL-UHFFFAOYSA-N	360.479	2.330	10	10	FECE	
COC1CCN(c2ccc(CN3CC[C@H](Cn4ccnn4)C3)cc2)CC1	852314833	VLGFCSNDPNYCCY-SFHVURJKSA-N	355.486	2.415	10	10	FECE	
CCCN(CCC)c1ccc(CN2CCO[C@@H](CNC(=O)NC)C2)cc1	862461367	OLNCJHAVKXYKIL-IBGZPJMESA-N	362.518	2.443	10	10	FECE	
CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@@H]3[C@@H](C2)C3(F)F)cc1F	1118669538	RUTFSGGQWGKMNW-JHJVBQTASA-N	369.387	2.058	10	10	FECE	
CCN(CC)c1ccc(CN(C)C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)cc1	1135734772	HMGOGCPAVQZDOD-MSOLQXFVSA-N	361.486	2.304	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)[C@H]3CCC(F)(F)C3)CC2)cc1	795094310	GEHPDORENHAVAT-HNNXBMFYSA-N	367.440	2.369	10	10	FECE	
Cc1ccc(C(=O)N[C@H]2C(=O)NCC2(C)C)cc1-n1c(C)cc(C=O)c1C	1148149802	AKQCIQMPMSJMCS-SFHVURJKSA-N	367.449	2.469	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CC[C@H](c3noc(C)n3)C2)c([N+](=O)[O-])c1	1307208560	IZSDHXBPCPDUPW-AGLBCWCQSA-N	358.354	2.466	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(C2CC(=O)NC(=O)C2)cc1	1160037596	UENHLAXCMUTWDA-KRXBUXKQSA-N	366.373	2.270	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1c1ccccc1	1257449350	DLAPGDUYGUTQKX-BBWFWOEESA-N	369.417	2.492	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)Nc2ccc(N)cc2)[C@@H](CO)C1	2116272667	DUXRPTXCNYBOQV-DOMZBBRYSA-N	364.446	2.008	10	10	FECE	
CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(N=NC(N)=O)cc1	1464917957	LGFDGFLANYOWKE-MRXNPFEDSA-N	367.409	2.278	10	10	FECE	
CN(C)c1ccc(CN(C(=O)CCC[C@@]2(C)NC(=O)NC2=O)C2CC2)cc1	1540709093	BDJUEUYEGKVTBI-HXUWFJFHSA-N	372.469	2.012	10	10	FECE	
COC(=O)c1ccc2c(c1)OCCN(C(=O)/C=C/c1ccc(O)c(O)c1)C2	1472316284	YJADVCGADFTBFO-XVNBXDOJSA-N	369.373	2.319	10	10	FECE	
COc1ccc(CNCC[C@@H](C)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1C	1715663329	FHVJUJONPLHXAR-JBFYLRDPSA-N	358.482	2.411	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C	1556157889	MFKOWOKXZLBKAR-XBFCOCLRSA-N	364.442	2.306	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1)C1COC1	2124537901	CXFQDPWRWBSWSJ-OCCSQVGLSA-N	367.450	2.465	10	10	FECE	
C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)CN(C)C(=O)OC(C)(C)C	1586344752	OUTUYDQPSPBUCJ-LBPRGKRZSA-N	352.431	2.260	10	10	FECE	
CC[C@@H]1[C@@H](C(=O)NC/C=C\CNCc2ccc(OC)c(C)c2)CCN1C	1699258378	CIJIBTHFCBVKHA-OXUXSNCKSA-N	359.514	2.496	10	10	FECE	
NC(=O)[C@](CSc1nccs1)(NC1CC1)C1(Br)CC1	2141675020	TTWPGHPXXGBOLE-LBPRGKRZSA-N	362.318	2.139	10	10	FECE	
CCS(=O)(=O)[C@@H]1CCN(c2ccc(CNC)cc2Br)C1	2179900904	XPSDDRDYYYHTMC-GFCCVEGCSA-N	361.305	2.182	10	10	FECE	
CC(C)(C)OC(=O)N[C@](C)(C(=O)N1CCC(N=[N+]=[N-])CC1)C(C)(C)O	2060639313	GMJVIWGMZXEDEE-MRXNPFEDSA-N	355.439	2.342	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)N2CCC[C@H](N=[N+]=[N-])C2)C1	2060632680	DVLJVYJJKJICRT-STQMWFEESA-N	353.423	2.314	10	10	FECE	
CC(C)N(CCNC(=O)c1cc(O)c(O)c(O)c1)C(=O)OC(C)(C)C	2068617306	IGDFWUCICRIJLB-UHFFFAOYSA-N	354.403	2.179	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1CNC(=O)COc1ccc(N)cc1	2106238793	FQXLGSAEBCTSPT-BBRMVZONSA-N	363.458	2.457	10	10	FECE	
CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(CCC(=O)Nc1ccc(N)cc1)C2	2106765727	LGZZTHRJBQQSAX-YJYMSZOUSA-N	360.458	2.196	10	10	FECE	
C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1ccc(CO)cc1Br	2114228385	PBCSAXVKYDJOQA-VHSXEESVSA-N	350.278	2.199	10	10	FECE	
C[C@@H]1O[C@]2(C(=O)N(C)CCCN=[N+]=[N-])C[C@@]1(NC(=O)OC(C)(C)C)C2	2254797734	TVLHKOAQYKFPFJ-UVBJJODRSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N(CC(=O)N1CCC(N=[N+]=[N-])CC1)[C@H]1CCOC1	2259903300	UUGWDBCHRVDYLI-ZDUSSCGKSA-N	353.423	2.314	10	10	FECE	
O=C(O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(F)cc2)SC1=S	2293205510	AVVSOOIRSXQVCX-SNVBAGLBSA-N	369.395	2.345	10	10	FECE	
CC(C)C[C@H](CNC(=O)C=Cc1ccc(N2CCOCC2)cc1)C(=O)O	2311974123	LWMMIQTVQGBPEX-QGZVFWFLSA-N	360.454	2.400	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@H]1Cc2nc[nH]c2CN1C(=O)OC(C)(C)C	2337776710	NZZLQRYXUNWFOR-CYBMUJFWSA-N	363.422	2.230	10	10	FECE	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)OC[C@@H]1CC(=O)N(C2CC2)C1	86058519	WURIIRZCGMAJLH-DLGAGEGBSA-N	370.449	2.091	10	10	FECE	
CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](C)c1cc(OC)ccc1O	87250684	BRLINYJVVMTWJB-BXUZGUMPSA-N	359.430	2.450	10	10	FECE	
Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc2c(c1)CCCN2C	83715782	NVMYLVLRVZDPNG-MRXNPFEDSA-N	354.458	2.303	10	10	FECE	
Cc1c(NCc2cc3c(cc2O)OCO3)cccc1N1C(=O)N[C@@H](C)C1=O	288596360	PDMVVUOFHSKAMF-NSHDSACASA-N	369.377	2.486	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H]2CN(CC(=O)Nc3ccc(N)cc3)C[C@@H]2C1	2168784516	UKTZVHVCZLVARU-HUUCEWRRSA-N	374.485	2.396	10	10	FECE	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCc2cnnn2C)C1	809129316	XXOXOXRVISMFBM-UHFFFAOYSA-N	367.453	2.280	10	10	FECE	
CC(C)(C)OC(=O)N1CCC(=CC(=O)N2CC(=O)Nc3cnccc32)CC1	815715511	KCUCINGYPPXKGC-UHFFFAOYSA-N	372.425	2.324	10	10	FECE	
CCN(Cc1cc(Br)ccc1O)C(=O)CCc1cnn(C)n1	826527629	QBDAOURVNWMTHA-UHFFFAOYSA-N	367.247	2.265	10	10	FECE	
Nc1c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cnn1C1CC1	907102851	AMSPPKQOYGJGLL-OAHLLOKOSA-N	356.426	2.327	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O	588585974	WAJKSBWJEMIVBF-LWAXHKBTSA-N	370.380	2.167	10	10	FECE	
CSc1ccc(N2C[C@@H](C(=O)NCc3ccc(O)cc3O)CC2=O)cc1	910952528	WUVNODWDTPYWJY-ZDUSSCGKSA-N	372.446	2.489	10	10	FECE	
Cc1cc(C(=O)N[C@@H](CO)Cc2cncs2)c(C)n1-c1ccccn1	913700221	RCPYVRJJYVGVIT-CQSZACIVSA-N	356.451	2.279	10	10	FECE	
C[C@@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)c1ccc(N2CCOCC2)cc1	745779185	NIUHJYNSLLUYKF-XLIONFOSSA-N	370.497	2.240	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCN(C2CC2)C(=O)C1	840479058	LKOAXGVSWXAYJP-HNNXBMFYSA-N	358.486	2.008	10	10	FECE	
CO[C@H](CNC(=O)c1csc(Cc2ccc(N)cc2)n1)[C@@H]1CCOC1	851639935	NGZSVMBQBNJMIL-CZUORRHYSA-N	361.467	2.097	10	10	FECE	
CN1CCN(c2ccc(CN3C(=O)[C@@H]4[C@H]5CCC[C@H]5CN4C3=O)cc2)CC1	925080034	PRGXXEYAMGRNRD-WDSOQIARSA-N	368.481	2.001	10	10	FECE	
CNC(=O)[C@@H]1CCN(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)C1	858906738	PKXRULMJCRVWIS-MRXNPFEDSA-N	354.454	2.372	10	10	FECE	
Cc1ccc(O)c(CNC(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c1	860703267	KTMCOEMYOKYUHX-UHFFFAOYSA-N	371.441	2.278	10	10	FECE	
Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c(C)n1-c1ccccn1	863052035	QWPCHJDEIXNRHY-CVEARBPZSA-N	373.478	2.281	10	10	FECE	
Cc1cc(C(=O)N2C[C@H](O)C[C@H]2C(N)=O)c(C)n1-c1cccc(C(C)C)c1	862682581	AZKCNFOHYIIHQE-MJGOQNOKSA-N	369.465	2.278	10	10	FECE	
CON(C)C(=O)[C@H](C)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	875898352	GZTJXEOXQMEHHM-HNNXBMFYSA-N	362.474	2.227	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CSCC(=O)OC(C)(C)C	773760480	IRFADMODMQIFHI-NSHDSACASA-N	355.456	2.220	10	10	FECE	
O=C(c1cccc2ncnn12)N(Cc1ccccc1O)C[C@H]1CCCO1	782170084	QGVJCUJMZIUYHE-OAHLLOKOSA-N	352.394	2.256	10	10	FECE	
CN(C)c1ccc(CNC(=O)CC[C@@H]2CC[C@@H](C3OCCO3)O2)cc1F	895979927	BFKRJPOIKFRLJO-YOEHRIQHSA-N	366.433	2.209	10	10	FECE	
Cc1cc(C(=O)N2CCC[C@](O)(CN(C)C)C2)c(C)n1-c1ccccn1	791254986	OSICCSRVXAADBM-FQEVSTJZSA-N	356.470	2.018	10	10	FECE	
CC(C)(C(=O)NCc1ccc2cccnc2c1O)n1cc([N+](=O)[O-])cn1	1142727601	AVLROZCECHPQTF-UHFFFAOYSA-N	355.354	2.097	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(Nc2nn[nH]n2)c1	1147888888	XOLSVVIXPXPSRU-UHFFFAOYSA-N	365.397	2.049	10	10	FECE	
CC(C)(C)OC(=O)N=c1cc[nH]cc1C(=O)NCc1c(O)cccc1O	1156886182	VEJBAYZMNABGBV-UHFFFAOYSA-N	359.382	2.192	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCCCCNC(=O)CC2)c([N+](=O)[O-])c1	1307231846	QUAXETBDKAABSV-VURMDHGXSA-N	361.398	2.278	10	10	FECE	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](C)C(F)(F)F	1329403362	VEAKNWHTZYIDIY-KOLCDFICSA-N	363.332	2.277	10	10	FECE	
CN1CCN(Cc2ccccc2)[C@H](CNCc2cc3c(cc2O)OCO3)C1	694752104	MUXYWZVOXVIAEN-GOSISDBHSA-N	369.465	2.027	10	10	FECE	
CN(C)CCn1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)ccc1=O	1183127556	XXVBDBWEEPXHQR-UHFFFAOYSA-N	373.434	2.288	10	10	FECE	
COCCN(CCF)c1nnc(-c2sccc2O)n1C[C@@H]1CCOC1	1344228379	LKAQRRDBFPOJNP-LBPRGKRZSA-N	370.450	2.171	10	10	FECE	
CN1CCCc2cc(CNC(=O)C(=O)NCCc3ccsc3)ccc21	1345498897	GFDNGOUIVUISLT-UHFFFAOYSA-N	357.479	2.106	10	10	FECE	
COCCN(CCOc1ccc(F)cc1)C(=O)Cc1ccc(O)c(O)c1	1293375742	OPGHHPFPCWBBFT-UHFFFAOYSA-N	363.385	2.333	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CC(C(=O)OC(C)(C)C)=NO2)c1	1545683977	GJTSDNWANBWJLX-BMIGLBTASA-N	364.398	2.065	10	10	FECE	
COC(=O)[C@]12CCC[C@H]1CN(c1cc(OC)c(OC)cc1[N+](=O)[O-])C2	1612834957	WCLQNSHVQIDMLS-GTNSWQLSSA-N	350.371	2.392	10	10	FECE	
Cn1ccnc1COCC(=O)Nc1c(-c2ccccn2)nc2ccccn12	1556879218	HNFLNOVQCOTFJM-UHFFFAOYSA-N	362.393	2.285	10	10	FECE	
CCOC(=O)Cc1cnc(N(C)C(=O)/C=C\c2ccc(O)c(O)c2)s1	1639055043	GXHXLVNCTBSPFN-ALCCZGGFSA-N	362.407	2.336	10	10	FECE	
COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1	1632077532	CMLVRWNAXTYGMS-SJORKVTESA-N	370.449	2.399	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccoc2C2(O)CCOCC2)c1	1566374937	ZFCFLDDMTILRCM-GFCCVEGCSA-N	361.394	2.483	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NCCn1cc(-c2ccccc2)nn1	1648888557	XVOFYXBMGWPZAO-CLFYSBASSA-N	350.378	2.186	10	10	FECE	
CC(C)(C)C(=O)N1CCO[C@@H](C(=O)NCc2c(O)ccc3ccccc23)C1	1645441193	VYYZLRSXWGSZOS-GOSISDBHSA-N	370.449	2.435	10	10	FECE	
Cc1nn(-c2ccccn2)c(C)c1CC(=O)NCc1cc(O)ccc1O	1643879130	BEUJEJJHMOBGRM-UHFFFAOYSA-N	352.394	2.154	10	10	FECE	
O=C(CCNC(=O)c1cc2cc(O)c(O)cc2s1)Nc1ccccn1	1584027592	AXINPXSPRCQJSK-UHFFFAOYSA-N	357.391	2.466	10	10	FECE	
CC(=O)N/C(=C\C1=S=CC=C1)C(=O)Nc1ccc(-c2nnc(C)o2)cc1	1586497338	RKZDMALXFXVVEF-YBEGLDIGSA-N	368.418	2.281	10	10	FECE	
Cc1ccc(O)c(CNC(=O)Cc2c(C)nc(-c3cccnc3)nc2O)c1	1584983116	DNTWDACPWGBJSC-UHFFFAOYSA-N	364.405	2.426	10	10	FECE	
Cc1cc(Br)cc(CN2CC[C@@H](N3CCOCC3)C2)c1O	158028455	AXYDZZOVGANLTG-OAHLLOKOSA-N	355.276	2.370	10	10	FECE	
CCC[C@H](C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)N(C)C	153348144	YQMSTZUWILWDCI-LJQANCHMSA-N	364.509	2.314	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@@H]1CCNC(=O)C1	1952346498	MOJLBPMVNCBMCI-CHWSQXEVSA-N	350.415	2.060	10	10	FECE	
CS(=O)(=O)C[C@H]1CCCCN1c1ccc(CO)cc1Br	2151290682	YLCMKJRYABHZMP-GFCCVEGCSA-N	362.289	2.345	10	10	FECE	
CCOC[C@@H](CNC(=O)OC(C)(C)C)NCCc1ccc(O)c(O)c1	2031076828	AJSZJJOUSAJGSH-CQSZACIVSA-N	354.447	2.160	10	10	FECE	
C[C@@H](NCC1(O)CC(NC(=O)OC(C)(C)C)C1)c1ccc(O)cc1O	2045140123	QBQXVKHDYYFISF-VQQRXRCHSA-N	352.431	2.167	10	10	FECE	
COC[C@@H](CC(=O)NCc1cccc(C)c1O)NC(=O)OC(C)(C)C	2084065463	XQRPWALGWFOCJI-CQSZACIVSA-N	352.431	2.247	10	10	FECE	
COC(=O)[C@H](CCNCc1ccc2c(c1)CCO2)NC(=O)OC(C)(C)C	2088542668	KNXHHPXYPRSSNV-HNNXBMFYSA-N	364.442	2.168	10	10	FECE	
CNCc1cc(OC)ccc1N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1	2235965088	BNMFWSLXMMWMHC-QFIPXVFZSA-N	369.509	2.488	10	10	FECE	
CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)N3CCC[C@H](N=[N+]=[N-])C3)(C1)C2	2254796587	NTTCXVKLTPJZBG-UVBJJODRSA-N	351.407	2.114	10	10	FECE	
CC(C)(C)OC(=O)N1CCOCC[C@@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2257617130	QFQVXNWYCFEQBK-QWHCGFSZSA-N	353.423	2.314	10	10	FECE	
CC(=O)c1ccc(NC=C2C(=O)N(c3ccc4nncn4n3)N=C2C)cc1	2296888159	FFQOAGAMSFUQQD-UHFFFAOYSA-N	361.365	2.045	10	10	FECE	
O=C(O)C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(F)c(F)c2)SC1=S	2323831231	HKDPGYUQDQVIFL-SECBINFHSA-N	373.358	2.094	10	10	FECE	
CN(C)c1ccc2c(c1)OCCN2CC(=O)NCc1ccccc1[N+](=O)[O-]	175030273	QDOUSDWQECMDPI-UHFFFAOYSA-N	370.409	2.176	10	10	FECE	
CCC(=O)Oc1ccc(C(=O)NC2=NN(c3ccccc3)C(=O)C2)cc1	21024247	GUTVWXUQLCBMHA-UHFFFAOYSA-N	351.362	2.482	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC(=O)NCC1CC1	183799123	WRVDGDQAEMPTMA-UHFFFAOYSA-N	358.486	2.345	10	10	FECE	
Oc1cc2c(cc1CN(CCN1CCOCC1)c1ccccc1)OCO2	187813580	KRDLYIABSZROGS-UHFFFAOYSA-N	356.422	2.460	10	10	FECE	
COCCn1cc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)ccc1=O	46200607	WNCQRIXTCQYFPV-UHFFFAOYSA-N	366.377	2.311	10	10	FECE	
Cc1cc(/C=C\C(=O)N2CCN3C(=O)NC[C@H]3C2)c(C)n1-c1ccccc1	254974817	OCKZBRTUEQEXEQ-QWUACUGRSA-N	364.449	2.343	10	10	FECE	
CN[C@H](C)c1ccc(N2C[C@@H](O)C[C@H]2CN(C)C)c(Br)c1	251828546	YVBHDMYFPQZREK-XBFCOCLRSA-N	356.308	2.231	10	10	FECE	
NC(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cn1	271248508	WJIHECQGEGVGGS-OAHLLOKOSA-N	370.409	2.099	10	10	FECE	
CC1(C)SC[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	282814767	MTDUSMQMBJLQSZ-HNNXBMFYSA-N	353.463	2.356	10	10	FECE	
Cc1ccc(CN(C)[C@@H]2CS(=O)(=O)C2(C)C)c(O)c1Br	2381134383	BLEKBQMRHCXDLN-LLVKDONJSA-N	362.289	2.471	10	10	FECE	
C[C@@H](NC(=O)C(=O)N1CCC[C@@H](OC(F)F)C1)c1ccc(N(C)C)cc1	807674209	IFVHKMCFEWOEIA-IUODEOHRSA-N	369.412	2.160	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1cc(O)c(O)c(O)c1)C2	1866303044	IKUYZSFOSXYHKM-RYUDHWBXSA-N	364.398	2.027	10	10	FECE	
COc1ccc(O)c([C@H](C)NCc2nc(-c3cc(OC)ncn3)no2)c1	828682111	IMQGFHQALSIUMB-JTQLQIEISA-N	357.370	2.100	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(=O)n(CCCOC)n1	824239923	BHDFKUQDTJMMCD-UHFFFAOYSA-N	372.469	2.008	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccnc(OC(F)F)c1	822721097	RRLIIHFSWKJVLB-UHFFFAOYSA-N	363.364	2.450	10	10	FECE	
O=C(O)/C=C\c1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)co1	901944711	YBHBVODWBVHHDJ-WAYWQWQTSA-N	356.378	2.144	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)N(CCO)C[C@H]2C)cc1	842174909	OTNIQHCCJKCFCY-IAGOWNOFSA-N	362.518	2.129	10	10	FECE	
Cc1cc(Cl)cc(CN2CCC(c3nnc4n3CCNC4)CC2)c1O	843119038	UKYYSIUOHBNDSR-UHFFFAOYSA-N	361.877	2.428	10	10	FECE	
O=C1N[C@@]2(C(=O)NCc3cc(Cl)cc(Cl)c3O)C[C@H]3C[C@@H]1[C@H]2C3	846158967	BYFXHXFKJSEJQE-VJXWWLGRSA-N	355.221	2.230	10	10	FECE	
CO[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1	858983388	JFKUOMIJPNEBPV-KESTWPANSA-N	372.513	2.195	10	10	FECE	
Cc1noc([C@@H]2OCC[C@@H]2NCc2cc(Br)ccc2O)n1	858327219	MSIJZMNWSNYRJH-WCQYABFASA-N	354.204	2.466	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(CN(CCCO)c3ccccc3)nc12	751032590	HGZQDSMYQQKKDQ-UHFFFAOYSA-N	370.409	2.001	10	10	FECE	
C[C@H](NC(=O)N1CCCS(=O)(=O)C[C@@H]1C)c1ccc(N(C)C)cc1	922053106	CAGAVAYRRFPLAC-KBPBESRZSA-N	353.488	2.032	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CCC4(CNC4)C3)ccc(N)c2C1	1876235165	KANNKXRMJCISQU-UHFFFAOYSA-N	358.486	2.362	10	10	FECE	
COc1ccc(N2CCN(C[C@@H](O)CN[C@@H]3CCCC[C@@H]3F)CC2)cc1	872217760	AHIZFEFRFOWQAP-YSIASYRMSA-N	365.493	2.048	10	10	FECE	
COc1cc(NS(=O)(=O)c2cc(NC(C)=O)ccc2OC)ccc1O	797820072	FAJPKKXPIZEWFC-UHFFFAOYSA-N	366.395	2.169	10	10	FECE	
Cc1ccnc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)n1	791527822	UKKAJFIPFSVRMK-OKILXGFUSA-N	358.417	2.468	10	10	FECE	
Cc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)c(-n2cc(Cl)cn2)n1	1138263740	ANSWOCWPSXVZMM-UHFFFAOYSA-N	372.812	2.499	10	10	FECE	
CNC(=O)NCCCNCc1cc(Cl)cc(Br)c1O	1964070965	NMAPXAGOUVBXLQ-UHFFFAOYSA-N	350.644	2.217	10	10	FECE	
CN(Cc1ccccc1O)C(=O)CO[C@@H]1CCN(C(=O)OC(C)(C)C)C1	1963340822	ASFQMCZCDMRMRH-OAHLLOKOSA-N	364.442	2.377	10	10	FECE	
C[C@H](NC(=O)C(=O)NC[C@@H]1CC2(CCC2)CO1)c1ccc(N(C)C)cc1	1331759846	MIOQAVQOZNSCHD-YOEHRIQHSA-N	359.470	2.005	10	10	FECE	
COc1ccc(CNC(=O)[C@H]2CSC(c3ccccc3O)=N2)c(O)c1	1467472091	XSZGHJNHRSJUDU-CQSZACIVSA-N	358.419	2.285	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)cc1	1618086137	PTTSELZKAHYYDE-UHFFFAOYSA-N	367.291	2.115	10	10	FECE	
O=C(CCN1C(=O)CSC1=S)Nc1ncccc1Br	1865767759	DGXNHCLQSLGPFJ-UHFFFAOYSA-N	360.258	2.033	10	10	FECE	
CO[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC[C@H]1C	1638917491	HZNFIPOZYAGFMF-AYOQOUSVSA-N	362.518	2.422	10	10	FECE	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccnc(CO)c2)cc1	1631612746	XDAUVZTYDHTEFG-FQEVSTJZSA-N	369.465	2.461	10	10	FECE	
Cn1c(CO)nn(CN2CCCc3cc(OC(F)F)ccc32)c1=S	158830238	ZBXOCJTUIBRBFF-UHFFFAOYSA-N	356.398	2.455	10	10	FECE	
CCN1C(=O)C(NCCOC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873165798	VRMUZOCGJIRNHS-UHFFFAOYSA-N	367.449	2.430	10	10	FECE	
CN1CCc2cc([C@H](N)[C@]3(O)CN(C(=O)OC(C)(C)C)C3(C)C)ccc21	2132342291	BUGNBWYEOMTUTM-OXJNMPFZSA-N	361.486	2.439	10	10	FECE	
COc1cc2c(cc1C=C1SC(N3CCOCC3)=NC1=O)O[C@@H](C)C2	2040481050	GTUPEMGIFZMWRE-NSHDSACASA-N	360.435	2.321	10	10	FECE	
CCNC(=O)C1CCN(c2ccc(C=CC(=O)OC)cc2[N+](=O)[O-])CC1	2053541934	XDUXYKGJBVTIFB-UHFFFAOYSA-N	361.398	2.134	10	10	FECE	
CCN(c1ccc([C@H](C)N)c(Br)c1)[C@H]1CCS(=O)(=O)C1	387405378	LRVPBLFHOXQAJI-JQWIXIFHSA-N	361.305	2.482	10	10	FECE	
CNC(=O)c1nn(Cc2ccc(C)cc2O)c(C(F)(F)F)c1[N+](=O)[O-]	2079174465	LTORLVRSMIYPMQ-UHFFFAOYSA-N	358.276	2.232	10	10	FECE	
C[C@@H](C[S@](C)(=O)=NC(=O)c1cccc(O)c1O)NC(=O)OC(C)(C)C	2054418641	VHUMZTMHQTUZCJ-FORDYWAESA-N	372.443	2.249	10	10	FECE	
C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2cccc(O)c2O)C1	2054410941	SFNRUPUCCSHYPY-NEPJUHHUSA-N	350.415	2.473	10	10	FECE	
CN(C(=O)OC(C)(C)C)C1(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)COC1	2060634443	ZRCDOAKDGDPUKR-GFCCVEGCSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)N2CC(N=[N+]=[N-])C2)OCC12CC2	2065410118	YPBXBMUKHYRJMN-GFCCVEGCSA-N	351.407	2.066	10	10	FECE	
C[C@H]1OC2(CNC(=O)OC(C)(C)C)CC1(NCc1ccc(O)c(O)c1)C2	2100614852	AUXFVBLENAFQNH-PIHIASKNSA-N	364.442	2.402	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NC(=O)Nc1ccc(N)cc1	2106285191	LWOIGIXIYCIOOD-LJISPDSOSA-N	362.430	2.071	10	10	FECE	
C[C@@H]1CN(C(=O)COc2ccc(N)cc2)CC[C@@H]1NC(=O)OC(C)(C)C	2106769068	VIYQLVZAPJYRNX-CJNGLKHVSA-N	363.458	2.409	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CN[C@@H]1CCC[C@H](O)[C@H]1O	2224346738	BMHZGZFRWBLIQO-MDZLAQPJSA-N	350.640	2.172	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc3c(c2)OCCO3)C[C@@H]1CO	2226763792	BZLFPWIHYHMRGH-HIFRSBDPSA-N	364.442	2.170	10	10	FECE	
C[C@H]1CN(CCNCc2cc(Cl)cc(Br)c2O)C(=O)N1	2239293081	XSWXNMYEHHQGBN-QMMMGPOBSA-N	362.655	2.311	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)OC[C@@H]1CC(=O)N(C2CC2)C1	2298135482	WURIIRZCGMAJLH-QGZVFWFLSA-N	370.449	2.091	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]12C[C@H](C1)[C@@H](C(=O)NCCCN=[N+]=[N-])CO2	2320049340	AVTZCYVPEUNOAL-MQIPJXDCSA-N	353.423	2.123	10	10	FECE	
Cc1cc(C(=O)N2CCO[C@H](Cn3cccn3)C2)c(C)n1-c1ccccn1	111079838	FQZXXPFPYOAAJZ-KRWDZBQOSA-N	365.437	2.227	10	10	FECE	
Cc1cccc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1O	179577098	FGILYOHRRUMHPP-UHFFFAOYSA-N	371.462	2.079	10	10	FECE	
CCN(CC)[C@H](C)CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	79254036	GUIFNVVDPXCZLA-QGZVFWFLSA-N	362.518	2.395	10	10	FECE	
COC(=O)[C@H]1CCCCN1C(=O)/C=C\c1ccc(N2CCOCC2)cc1	255568130	SHCVNTMEIQMBCE-IEODJVTJSA-N	358.438	2.091	10	10	FECE	
COc1cccc(CN[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2OC)c1O	378886120	MPLOTHYTPZGPIV-ZFWWWQNUSA-N	352.431	2.125	10	10	FECE	
O=C(NCCCSc1nccs1)C(=O)N1C[C@@H]2CCCC[C@H]2C1	806279306	KZWRGKUCZUJILH-STQMWFEESA-N	353.513	2.390	10	10	FECE	
CCC[C@@H](C)[C@H](CO)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	823520126	UJZAFYXBMUJGPV-BEFAXECRSA-N	363.502	2.244	10	10	FECE	
COc1ccc2ncc(C(=O)NCc3ccc(N4CCCC4)cc3)n2n1	821841444	BLEKZVVDWMHNQQ-UHFFFAOYSA-N	351.410	2.268	10	10	FECE	
CN(Cc1cccs1)c1ccc(CN2CCn3c(CO)nnc3C2)cc1	823470496	LXFSNKVOSXKHQN-UHFFFAOYSA-N	369.494	2.484	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3nnc(-c4cscn4)o3)CC2)cc1	902609962	PKGOBAKLBVGFDO-UHFFFAOYSA-N	371.422	2.164	10	10	FECE	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCNC[C@H]1c1cccnc1	841832361	MIYNXHAJVQVNRU-FQEVSTJZSA-N	363.465	2.314	10	10	FECE	
COc1cc(Br)cc([C@H](C)N[C@@H](C)Cn2cncn2)c1O	848525270	LCASKVFTUQNQHX-UWVGGRQHSA-N	355.236	2.494	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CC[C@@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])c1	840378396	RTXAKDIJQYWMIP-DIECRNLCSA-N	357.370	2.201	10	10	FECE	
Cc1cc(O)c(CNC2CCN(S(=O)(=O)C3CC3)CC2)c(Cl)c1	840905189	ORBQSPJNKKBVDH-UHFFFAOYSA-N	358.891	2.400	10	10	FECE	
Oc1c(Br)cccc1CNC1CCC(N2CCNCC2)CC1	841086954	FWPNLRKGDWIXGP-UHFFFAOYSA-N	368.319	2.461	10	10	FECE	
COc1cc(N2CCC(C)(N3CCOCC3)CC2)c([N+](=O)[O-])cc1OC	858763097	JGIXSLDPMCDSNN-UHFFFAOYSA-N	365.430	2.303	10	10	FECE	
Cc1cc(CCNC(=O)C(=O)Nc2ccon2)c(C)n1-c1ccccc1	755187790	IJPWRNOUHXZIGT-UHFFFAOYSA-N	352.394	2.380	10	10	FECE	
CN1C[C@@H](CCNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1=O	924730246	DDOAZRUINNEQFQ-INIZCTEOSA-N	358.486	2.295	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N(C)[C@H]3CCN(C(C)C)C3)C2)cc1	854297228	KYDYMSZPAOKZRB-AEFFLSMTSA-N	360.502	2.398	10	10	FECE	
Cc1cc(C(=O)Cn2ccnc2CN)c(C)n1-c1ccc2c(c1)OCO2	864619958	VAHOKUZZAOQHRQ-UHFFFAOYSA-N	352.394	2.361	10	10	FECE	
CC1(C)CCC[C@H](CNC(=O)C(=O)NCCCSc2nccs2)O1	930197323	GLLHJUUQRQHPIJ-GFCCVEGCSA-N	371.528	2.205	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	861562012	RCVQQONYEOISKU-PDOICOKGSA-N	359.422	2.242	10	10	FECE	
Cc1ccc(-n2nnc(CC(=O)NCCc3ccc(O)c(O)c3)c2C)cc1	762262229	WOCGIUZZKYENEW-UHFFFAOYSA-N	366.421	2.197	10	10	FECE	
COC(=O)c1csc(COc2ccc(N(C)C)c(C(=O)OC)c2)n1	865394836	BYQGRWVBROSXEZ-UHFFFAOYSA-N	350.396	2.361	10	10	FECE	
Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1Cc2cccc(O)c2C1	871201675	YKJVKILOPGDDFE-QGZVFWFLSA-N	367.384	2.152	10	10	FECE	
CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(N4CCOCC4)c(F)c3)[C@H]2C1	770385791	WOQQSMRGRJMSJD-UXPWSPDFSA-N	364.461	2.431	10	10	FECE	
O=c1ccc2cc(S(=O)(=O)Nc3ccc(O)c([N+](=O)[O-])c3)ccc2o1	775285777	BNZKKQKGFHRRMY-UHFFFAOYSA-N	362.319	2.208	10	10	FECE	
COc1ccc(O)cc1C(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1	781271236	WPPJQGOWGPCQJL-UHFFFAOYSA-N	369.421	2.322	10	10	FECE	
CSCc1n[nH]c(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)n1	899473712	QZZVWSLORYYTRJ-UHFFFAOYSA-N	356.455	2.400	10	10	FECE	
C[C@@H](O)CCCNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	789163552	URUIJBMEBAGVMI-QGZVFWFLSA-N	374.529	2.179	10	10	FECE	
COC(=O)c1ccn(CCCC(=O)NCc2ccc3cccnc3c2O)n1	1142731301	SLHNOBJRAXBELY-UHFFFAOYSA-N	368.393	2.020	10	10	FECE	
CCc1nnc(N2CCN(C)C(=O)C2)n1Cc1ccc(N(CC)CC)cc1	1306195471	QFWQMRRVIHBBRP-UHFFFAOYSA-N	370.501	2.013	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H](O)c1cc(F)c(F)c(F)c1	1167902652	BCOUNSDGKFRBFT-NSRYLSIASA-N	353.296	2.378	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)C[C@@H]3C[C@H]3C3CC3)cc2)CC1	1332707690	LXCOVZKPYOJUGQ-HKUYNNGSSA-N	355.482	2.441	10	10	FECE	
CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H]3CCC[C@@H](F)C3)nc12	1331990319	VIDVRYYGBSHTHA-WDEREUQCSA-N	365.361	2.183	10	10	FECE	
Cn1nccc1C1(O)CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1	1263902400	HKOUBNVHURLCJR-UHFFFAOYSA-N	373.434	2.170	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](O)Cc1cccc(OC)c1	1467841255	VCWWPRIHOGUYTF-OAHLLOKOSA-N	350.411	2.106	10	10	FECE	
CN1CCCc2cc([C@H](O)[C@](C)(NC(=O)OC(C)(C)C)C(=O)O)ccc21	2121964844	CLVYAESFUDUNRS-KXBFYZLASA-N	364.442	2.470	10	10	FECE	
O=C(Cn1ncc2cccnc21)NCc1cccc(Br)c1O	1626822584	SCGGCPYQLXQIEE-UHFFFAOYSA-N	361.199	2.216	10	10	FECE	
CO[C@](C)(CNC(=O)Cc1ccc(O)c(O)c1)COCc1ccccc1	1557429525	WTVFTKMZZADOLX-HXUWFJFHSA-N	359.422	2.378	10	10	FECE	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cccc(O)c3F)cc2)C1	1630738384	OJFVRPLWBVDRKS-AWEZNQCLSA-N	371.412	2.163	10	10	FECE	
COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1ccccc1O	2124030663	LOFGVYHUFPDDEN-SWLSCSKDSA-N	368.430	2.383	10	10	FECE	
COC(=O)c1ccc2nc(CNC(=O)/C=C/c3ccc(O)c(O)c3)[nH]c2c1	1569973162	HGKNHLBXABRKKQ-XVNBXDOJSA-N	367.361	2.090	10	10	FECE	
CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2127464720	ZAPVMCBSOMIRPK-CHWSQXEVSA-N	367.450	2.465	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC1CCC1	2136263096	ZTUCNOBKODBGHI-AWEZNQCLSA-N	364.442	2.450	10	10	FECE	
Cc1cccc(CNC(=O)[C@](C)(NC(=O)C(F)(F)F)C(F)(F)F)c1O	2139760806	UVPFGHRNYGWBGQ-LBPRGKRZSA-N	372.265	2.316	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)NCC3(CN=[N+]=[N-])CC3)O2)C1	2140445421	NBIIILLGFWBKLU-GFCCVEGCSA-N	365.434	2.362	10	10	FECE	
CC(C)(C)OC(=O)N1CC([C@@H](F)CNCc2cc3c(cc2O)OCO3)C1	1972411370	LFFOCHPJPLCAMF-ZDUSSCGKSA-N	368.405	2.416	10	10	FECE	
Nc1cc2c(cc1N1C[C@H]3[C@@H](C1)OCCN3Cc1ccccc1)OCCO2	2153994897	PCFJMDLUZHSLAY-GHTZIAJQSA-N	367.449	2.130	10	10	FECE	
CC(C)(C)OC(=O)N1CCSC[C@H]1C(=O)NCc1ccccc1O	2010305562	BICLNIWBZFOVPO-ZDUSSCGKSA-N	352.456	2.361	10	10	FECE	
C[C@@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C)c1ccc(O)cc1O	394426013	RHRCTRQOACBQAY-ZIAGYGMSSA-N	365.474	2.300	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NCc1c(O)cccc1F	2042626488	OFVZKNLHWQTRPQ-UGGSBELWSA-N	352.406	2.302	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060615716	RLHOJHVCCUGDRP-YNEHKIRRSA-N	353.423	2.218	10	10	FECE	
CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N(C)CCCN=[N+]=[N-]	2060616827	GCSPRZRVUYSSFD-QWHCGFSZSA-N	355.439	2.417	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CCCO1	2106697161	WHDAUNILRWDWKP-OAHLLOKOSA-N	364.446	2.416	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](NCc2ccc(O)c(O)c2O)C[C@@H](F)C1	2219133039	BFKMEXJNQVGTAK-NEPJUHHUSA-N	356.394	2.241	10	10	FECE	
C[C@@H](CNCc1cccc(O)c1O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1	2230089424	AFVOZKDOOYVNPJ-ORAYPTAESA-N	366.458	2.195	10	10	FECE	
CCOc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O	2297329579	CKRIVDIJIWXCAG-UHFFFAOYSA-N	369.333	2.161	10	10	FECE	
CNC(=O)Cn1ccc2ccc(NC(=O)C=Cc3ccc(O)c(O)c3)cc21	2308001363	BIBVUURDLLIDMZ-UHFFFAOYSA-N	365.389	2.450	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(NCc3c(O)cccc3F)CO[C@H]1C2	2312835529	AXPQAVHMNZJUTH-QIIPPGSGSA-N	352.406	2.446	10	10	FECE	
C[C@@H]1C[C@@H](C(=O)N2CCc3cc(O)c(O)cc3C2)N1C(=O)OC(C)(C)C	2341194525	UYIHQCAQJCCLPR-RISCZKNCSA-N	362.426	2.380	10	10	FECE	
O=C(NC1CC1)c1ccc(N2CC[C@H](NCc3ccccc3O)C2)nc1	65256990	OFYZMNBRUFOWMP-KRWDZBQOSA-N	352.438	2.048	10	10	FECE	
CN1CCCc2cc(CNC(=O)N3CCN(Cc4ccon4)CC3)ccc21	73917471	IMUBMKXPLFGTJB-UHFFFAOYSA-N	369.469	2.084	10	10	FECE	
C[C@H]1C[C@H]1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	80023676	UQZRDPKPLVLISL-JOYOIKCWSA-N	352.437	2.393	10	10	FECE	
CCn1nccc1/C=C\C(=O)NCc1ccc(N2CCOCC2)c(F)c1	255524035	KGCRNAJMSLYKBW-XQRVVYSFSA-N	358.417	2.208	10	10	FECE	
C[C@]1(C[C@H]2CCCN2Cc2cc(Cl)c(F)cc2O)NC(=O)NC1=O	294500824	BNGSIWHBLNFSOD-QLJPJBMISA-N	355.797	2.137	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCNC(=O)[C@H]2CC(C)C)c([N+](=O)[O-])c1	588543517	LHDXYKJKOXQYJR-GMNBZTITSA-N	361.398	2.132	10	10	FECE	
O=C(COC(=O)[C@H]1CNC(=O)N1)Nc1ccc(N=Nc2ccccc2)cc1	732359824	BFQWNLJBUONPAK-OAHLLOKOSA-N	367.365	2.265	10	10	FECE	
COC(=O)[C@@H]1CCN(C(=O)/C=C/c2cnc(OC)nc2)c2ccccc21	776338426	HYJUACLCIBLHOG-MVGZEHJDSA-N	353.378	2.192	10	10	FECE	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCOCC3(CC3)C2)c1	782297972	XEKADXVNHKFBHH-UHFFFAOYSA-N	374.481	2.039	10	10	FECE	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc([C@H]2CNC(=O)C2)c1	797636593	CHLKARDZLYWICZ-SWLSCSKDSA-N	369.421	2.454	10	10	FECE	
C[C@H](C[C@@H]1COCCN1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	817916199	CQNMIZSCCFTYOW-WIYYLYMNSA-N	372.557	2.075	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)Nc3cnc(N(C)C)nc3)C2)cc1	824253712	ZXGQOUNFWIFCIG-CQSZACIVSA-N	370.457	2.199	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)Nc3cc(OC)n(C)n3)C2)cc1	824288539	FDGRYPBEINHRQP-CYBMUJFWSA-N	359.430	2.085	10	10	FECE	
CCS(=O)(=O)N1CCC(NC/C=C/c2ccc(N(C)C)cc2)CC1	835035718	KDUBRFSIOIVYGO-AATRIKPKSA-N	351.516	2.170	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3cc(C(C)C)on3)C2)cc1	850536124	CPIHZUZSYVPYFY-CYBMUJFWSA-N	372.425	2.140	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](CO)c3ccccc3)C2)cc1	852454978	RPWBVIHCNHFSLB-APWZRJJASA-N	355.438	2.307	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)NCc3ccccc3CO)C2)cc1	853590531	WCQKOQANODCJPB-QGZVFWFLSA-N	355.438	2.266	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N(C)C[C@H]3CCCC[C@@H]3O)C2)cc1	854300162	VOHHNPQMBGSFJD-GJYPPUQNSA-N	361.486	2.466	10	10	FECE	
Cc1ccc(C(=O)N[C@H]2CCCNC2=O)cc1-n1c(C)cc(C=O)c1C	858927311	KDUNJZAXZGAXLM-KRWDZBQOSA-N	353.422	2.223	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)NCc3ccccc3O)[C@H]2C1	915525523	PYUFTSMKSLPPSI-HUUCEWRRSA-N	361.442	2.304	10	10	FECE	
CCO[C@@H](CNC(=O)N(CC)Cc1ccc(N(C)C)cc1)CN(C)C	926820043	BWSQTWHYWSIFEU-SFHVURJKSA-N	350.507	2.251	10	10	FECE	
Cc1nc(N2CCOCC2)ccc1NC(=O)N1Cc2cccc(O)c2C1	930449237	OSRPGHHUIITIDI-UHFFFAOYSA-N	354.410	2.480	10	10	FECE	
C[C@@H]1NC(=O)CC[C@H]1c1nnc(N(C)Cc2ccccc2O)n1CC1CC1	1123410268	RIEDQJMJIVXROY-XJKSGUPXSA-N	369.469	2.412	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)N[C@@H](CN1CCCC1=O)c1ccccc1	1136415509	GNQVLPTUVFYMOS-INIZCTEOSA-N	354.406	2.120	10	10	FECE	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CCN(C)[C@@H](C)C1	1137816540	JVOYMUFXCQCHIP-STQMWFEESA-N	368.861	2.278	10	10	FECE	
CN(C)c1ccc([C@H](CNC(=O)c2ncccc2N(C)C)N(C)C)cc1	1180179059	LDLHZZROSQOYDJ-SFHVURJKSA-N	355.486	2.246	10	10	FECE	
NC(=O)c1ccc(C(=O)Nc2c(Cl)ccc3nonc23)nc1Cl	1271356621	OFWFWJNKILVUHS-UHFFFAOYSA-N	352.137	2.276	10	10	FECE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N1CC[C@@]12CCOC2	1328829336	RXYHSXNSFYTWAY-NRFANRHFSA-N	371.481	2.027	10	10	FECE	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(N(C)C)COc2ccccc2C1	1348213908	VZCZJFXUDLUZHE-SZNDQCEHSA-N	370.449	2.081	10	10	FECE	
CN1CCN(c2ccc(CN3C[C@H]4[C@H]5CC[C@@H](NC5)[C@H]4C3)cc2F)CC1	1351679246	LTRIJFNDIYLGAP-CGBFIWBNSA-N	358.505	2.007	10	10	FECE	
CC(=O)c1cc(F)cc(CN2CCC(NC3CCOCC3)CC2)c1O	1473792044	GBQUVARJVLIACZ-UHFFFAOYSA-N	350.434	2.467	10	10	FECE	
CO[C@@H](C)CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	1527964192	QLVFWJKIUTURLM-JTQLQIEISA-N	368.345	2.135	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc(OC)c(F)c3N)CC2)cc1	1545556518	NDWVNFUAPMECPW-UHFFFAOYSA-N	359.401	2.388	10	10	FECE	
Cn1c2c(ccc1=O)[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)CCC2	1557326724	WZOYCBZWTLDLOE-CQSZACIVSA-N	353.382	2.355	10	10	FECE	
COC[C@@]1(C(=O)OC(C)(C)C)CN(Cc2ccc(N(C)C)cc2)CCO1	1560037563	NNGDTADESLJBNB-HXUWFJFHSA-N	364.486	2.312	10	10	FECE	
O=C(NCc1ccc(O)cc1O)c1ccc(I)cn1	1570462298	MZIDJSWQVQWBSL-UHFFFAOYSA-N	370.146	2.027	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3[C@H](C)O[C@@H](C)[C@H]3C)CC2)c(OC)c1	1595996458	DIHNAEOIEINJKA-QZNHQWIBSA-N	362.470	2.412	10	10	FECE	
Cc1nnc(N2CCOC(C)(C)C2)n1Cc1ccc(N2CCOCC2)cc1	1726411395	CYRFILUZPVWYGU-UHFFFAOYSA-N	371.485	2.087	10	10	FECE	
CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1CCn1cncn1	1726882322	UFVQYLIBFYOGAY-AWEZNQCLSA-N	355.446	2.425	10	10	FECE	
Cc1cc(=O)c(OCC(=O)Nc2nccs2)cn1Cc1ccc(N)cc1	1857915139	IEIXLYWEFVTKRB-UHFFFAOYSA-N	370.434	2.261	10	10	FECE	
CN(C)Cc1cc(C[C@@](C)(NC(=O)OC(C)(C)C)C(=O)O)ccc1O	1952279604	YKLVILXCUZAPGH-GOSISDBHSA-N	352.431	2.364	10	10	FECE	
COC(=O)[C@@H]1CCN[C@H](c2cc(I)ccc2O)C1	1952446918	DIOGYJAYORJKIB-KCJUWKMLSA-N	361.179	2.211	10	10	FECE	
CC(C)(C)OC(=O)N1CC(CCO)(CNCc2ccc(F)c(F)c2O)C1	1972800293	KNKJRIUWKRIRQK-UHFFFAOYSA-N	372.412	2.380	10	10	FECE	
CC(C)(C)OC(=O)N1CCSC[C@H](C(=O)N2CC[C@H](N=[N+]=[N-])C2)C1	2010401015	ADCYSNHDAVFPSC-NEPJUHHUSA-N	355.464	2.498	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2cccc(O)c2O)C1	2054401392	RKWGXITVIXYMQE-GFCCVEGCSA-N	350.415	2.427	10	10	FECE	
CC(C)(C)OC(=O)NCC1(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)CCOCC1	2060611924	ZWTYWFRRDIKFJY-GFCCVEGCSA-N	353.423	2.219	10	10	FECE	
CCN[C@H]1C(=O)Nc2cc(N(CC(=O)NC)Cc3ccccc3)ccc21	2095917940	AHOHQLPQMRRDML-LJQANCHMSA-N	352.438	2.042	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CNCC[C@@H]1COC[C@@H]1O	2111336900	RAAIPYHQONWCAG-PELKAZGASA-N	350.640	2.295	10	10	FECE	
COc1cc(N)c(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](OC)C2)cc1OC	2122658057	XGFWSHHUPGHTIW-LRDDRELGSA-N	367.446	2.014	10	10	FECE	
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C[C@H]2OCC[C@@H]21	2124503015	GFUNHQIYNZQKEU-ZOBORPQBSA-N	365.434	2.455	10	10	FECE	
C[C@@H](c1cc(O)ccc1O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C1	2136335378	IPCRDWACGQLFJB-BBATYDOGSA-N	366.414	2.213	10	10	FECE	
Nc1ccc(CNc2ccc(S(N)(=O)=O)cc2Br)cc1	2148948580	JYACAAYLNOYCHF-UHFFFAOYSA-N	356.245	2.291	10	10	FECE	
CS(=O)(=O)C[C@@H]1CCCCN1c1ccc(CN)c(Br)c1	2151278560	ZKAZJQPQTXXIFW-ZDUSSCGKSA-N	361.305	2.311	10	10	FECE	
CN[C@@H](c1ccc(N(C)C)cc1)[C@H](NC(=O)OC(C)(C)C)c1cn(C)nn1	2166693230	BYPRYSJNANVZCC-DLBZAZTESA-N	374.489	2.408	10	10	FECE	
CC(C)(C)OC(=O)N1CC(n2cnc(C(=O)N3CC[C@H](N=[N+]=[N-])C3)c2)C1	2225239521	JAOITEDJLGGEHR-NSHDSACASA-N	361.406	2.200	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)N3CCC(N=[N+]=[N-])CC3)CO[C@H]1C2	2334183752	MWKBBEVDGGZFCI-IIYDPXPESA-N	365.434	2.360	10	10	FECE	
CN(C)c1ccc(Cn2c(S)nc3cc(C(=O)O)ccc3c2=O)cc1	100091077	OJXAXDJWMYECQK-UHFFFAOYSA-N	355.419	2.498	10	10	FECE	
Cc1nn(C)cc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	179109477	RYVXVVCOPUTNTD-UHFFFAOYSA-N	369.469	2.316	10	10	FECE	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)COCCO)cc1	188859731	SQFOGDDEXDKNMJ-UHFFFAOYSA-N	358.438	2.303	10	10	FECE	
COCCN1CCN(Cc2cc(Br)cc(OC)c2O)C[C@H]1C	120787694	PAGNLVJKFMSNEI-GFCCVEGCSA-N	373.291	2.316	10	10	FECE	
N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1ccc(Br)cc1	40458408	KGTXYVWHXRWZQC-LBPRGKRZSA-N	351.200	2.369	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@H]1CNCc1ccc(F)c(F)c1O	700678541	UFFHURBVBPISIV-LBPRGKRZSA-N	358.385	2.396	10	10	FECE	
COc1ccc(CNC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)c(O)c1	373665341	HGWFCHSQCYFLPM-MRXNPFEDSA-N	374.462	2.312	10	10	FECE	
CC1(NC(=O)c2ccn(-c3ccc(N)cc3)n2)CN(C(=O)OC(C)(C)C)C1	2162515788	KJAQUHXRDXKFAX-UHFFFAOYSA-N	371.441	2.194	10	10	FECE	
COc1ccc(N2CCN(CCCNC(=O)c3cc(F)c[nH]3)CC2)cc1	292852885	SHZTYVUVOKQWOK-UHFFFAOYSA-N	360.433	2.105	10	10	FECE	
CN(C)c1ccc([C@H](N)CN[C@@H](c2ccc(F)cc2)c2cnn[nH]2)cc1	817943339	UOHDRDMLKPPHPI-MJGOQNOKSA-N	354.433	2.389	10	10	FECE	
COc1ccc(N2CC[C@@H](CNS(=O)(=O)N3CCC[C@@H](C)C3)C2)cc1	819889598	FQOFOKQVFLHBHC-CVEARBPZSA-N	367.515	2.088	10	10	FECE	
O=[N+]([O-])c1cc(Cl)cc(CN2CCS(=O)(=O)[C@H]3CCC[C@@H]32)c1O	825202882	WKNKBZWRDCSZRN-AAEUAGOBSA-N	360.819	2.105	10	10	FECE	
CC1(C)CN(C(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)C[C@@H]1N	903714015	JWIUCPGVVFULBM-SFHVURJKSA-N	373.497	2.249	10	10	FECE	
CN(C)c1ccc(CNC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)cc1	836222534	LZPJNVGXSXOSJX-OAHLLOKOSA-N	373.478	2.123	10	10	FECE	
COc1ccc([C@]2(C(=O)NCc3cc(OC)ccc3O)C[C@H](O)C2)cc1	901130411	IAZGLXOHDLIDQO-SGNKCFNYSA-N	357.406	2.118	10	10	FECE	
C[C@H](NC[C@@H]1CCCCN1CCO)c1ccc(N2CCOCC2)c(F)c1	834851195	VQBFTFGOYLRQKE-WMZOPIPTSA-N	365.493	2.160	10	10	FECE	
CCN(CC)CCOCCNC(=O)c1cc2cc(O)c(O)cc2s1	907351646	HJVCPVDBBSZGJQ-UHFFFAOYSA-N	352.456	2.401	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC(c2cnc[nH]2)CC1	839271665	KBKWJXSVPJKJMR-UHFFFAOYSA-N	370.453	2.260	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCO[C@H](C2CCC2)C1	840268027	RCSLDUIGZCRQQZ-IBGZPJMESA-N	359.470	2.234	10	10	FECE	
CC[S@](=O)CCNC(=O)N(Cc1ccco1)Cc1ccccc1O	741425992	SXJZXSQSSAJNJK-DEOSSOPVSA-N	350.440	2.466	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)N[C@H](C)C(C)(C)C)C2)cc1	846740303	CYCOZJOPJHVPAL-CABCVRRESA-N	361.486	2.189	10	10	FECE	
C[C@H]1CCN(CC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1	847641488	XGNVUAPGQWXIBG-SFHVURJKSA-N	370.541	2.177	10	10	FECE	
CCOc1cccnc1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	750666681	RDONOPQAWBJYGU-UHFFFAOYSA-N	371.437	2.362	10	10	FECE	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC2CCC3(CC2)CC3(F)F)c1	855960146	HCLGVWPWPUPKRB-UHFFFAOYSA-N	374.409	2.462	10	10	FECE	
COc1ccc(CNC(=O)NC[C@@H](n2cccn2)C(F)(F)F)c(O)c1	858675697	GTYYZNBJCQLHJI-CYBMUJFWSA-N	358.320	2.200	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](CO)Cc3ccco3)C2)cc1	854303038	RSZADAAQZKIIHD-CVEARBPZSA-N	373.453	2.017	10	10	FECE	
C[C@@]1(C(=O)NCc2cc(NC(=O)[C@@]3(C)CCCO3)ccc2O)CCCO1	923119560	LWOZILQUHRURKA-RBUKOAKNSA-N	362.426	2.085	10	10	FECE	
CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)NCc1ccccc1O	859001853	CPTFXJSOIUOZFT-MRXNPFEDSA-N	353.415	2.208	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cn(C[C@@H]2CCOC2)nn1	862002244	OYFSGHAPGIQFJS-CVEARBPZSA-N	371.485	2.050	10	10	FECE	
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])C[C@H](O)C1(C)C	1879106968	NBYWCUCMPWOETP-PEBVRCNWSA-N	367.450	2.342	10	10	FECE	
COC(=O)c1cnc(CNCc2ccc(N3CCOCC3)c(F)c2)s1	894194183	ZOAJDINZSKJKFZ-UHFFFAOYSA-N	365.430	2.195	10	10	FECE	
CN1CCc2cc([C@@H](CN)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)ccc21	1881173501	KFXHSEBGVOREIE-SJLPKXTDSA-N	360.502	2.278	10	10	FECE	
O=C(NCc1c(O)cccc1O)[C@@H]1CCCN1c1ncnc2ccccc12	1156881249	VTSZXPIPZNFDGJ-INIZCTEOSA-N	364.405	2.326	10	10	FECE	
O=C(NCc1c(O)cccc1F)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1	1156170085	GBEAMPVLYFTUNT-SNVBAGLBSA-N	364.323	2.479	10	10	FECE	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCN[C@@H](Cc2ccc(F)cc2)C1	1301668123	PBQBCIDPSQVMBL-AUNFYEFLSA-N	356.397	2.293	10	10	FECE	
C[C@@H](NC(=O)c1cccc(O)c1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1	1965131129	KATKTXYMGVYVKO-NEPJUHHUSA-N	350.415	2.473	10	10	FECE	
CC1(C)CC(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1	1328637404	HYFOSRWATIVHKQ-MRXNPFEDSA-N	360.454	2.205	10	10	FECE	
CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNCc3ccc(O)c(O)c3)O2)C1	690598626	CAFYXTFLQDBQQA-AWEZNQCLSA-N	364.442	2.356	10	10	FECE	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC(=O)N(C)[C@@H](C)C2)cc1	1330005359	YZJUNTQNTAFNFO-HNNXBMFYSA-N	367.449	2.138	10	10	FECE	
Cc1ccc(C(=O)OC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c(O)c1O	1330173396	SCIGOOIKJGVRJB-GFCCVEGCSA-N	367.398	2.199	10	10	FECE	
C[C@@H](NC(=O)C(=O)N1CCCC12CCC2)c1ccc(N2CCOCC2)cc1	1340391919	ILNHXTBXXAJRMQ-MRXNPFEDSA-N	371.481	2.246	10	10	FECE	
COc1ccc(CNC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)cc1C	1251462528	BMBVKUOISMPPPF-IBGZPJMESA-N	350.459	2.465	10	10	FECE	
C[C@@H]1CN(c2ccc(C(=O)NCc3cccc(O)c3O)cn2)C[C@@H](C)O1	1528771780	YDQQMIBKRMSPIQ-CHWSQXEVSA-N	357.410	2.036	10	10	FECE	
CC(C)NC(=O)Nc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1	1541076263	BHRNZNRXDYJVKL-UHFFFAOYSA-N	357.410	2.487	10	10	FECE	
Cc1ccc([C@@H](CN2CCOCC2)NC(=O)Cc2ccc(O)c(O)c2)cc1	1540474723	DANHKUPXNFGMDA-GOSISDBHSA-N	370.449	2.138	10	10	FECE	
Cn1cc(Br)c(S(=O)(=O)Nc2ccc(O)c(Cl)c2)n1	2121900524	CUQWASXZOIAUNC-UHFFFAOYSA-N	366.624	2.342	10	10	FECE	
COC(=O)[C@@]1(O)CCN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1	1633144950	MNLNQIIQVIMUJW-HXUWFJFHSA-N	356.422	2.153	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Cl)nc2N)N(C)C)cc1	1640232737	YHCQQCQTZSZXFH-OAHLLOKOSA-N	361.877	2.416	10	10	FECE	
Cc1nc(COc2ccccc2C(=O)NCc2cc(O)ccc2O)no1	1651222850	QPDISPFUOBQZME-UHFFFAOYSA-N	355.350	2.298	10	10	FECE	
COc1ccc(CNC[C@H](O)c2ccccc2)cc1CN1CCOCC1	13736106	KLDSEAJYWAASAU-FQEVSTJZSA-N	356.466	2.351	10	10	FECE	
O=C(CNCc1cc(Cl)cc(Br)c1O)N=c1cc[nH]cc1	1860721022	FZNTWMBXIGUVAP-UHFFFAOYSA-N	370.634	2.353	10	10	FECE	
CCOC(=O)Cc1cc(O)n2nc(-c3ccccc3)c(C(=O)OCC)c2n1	2080917761	GFTMDFHXDRFOOQ-UHFFFAOYSA-N	369.377	2.384	10	10	FECE	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NCc1ccc(F)c(F)c1O	1561025474	ZKIPPZPKIRECGI-CHWSQXEVSA-N	358.385	2.394	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)N1CCC[C@H](CN=[N+]=[N-])C1	2060638900	CEQDLHMVXGJNMK-FRRDWIJNSA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2060615903	UIZHXPYWSLPXJZ-UPJWGTAASA-N	353.423	2.048	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CCO[C@H]1C(=O)N1CCC(N=[N+]=[N-])CC1	2060615263	MOHBVYNKWOGTFB-DGCLKSJQSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc(N)cc2)[C@@](C)(CO)C1	2106696962	UTHHWZOHLDDNSA-GOSISDBHSA-N	364.446	2.104	10	10	FECE	
CO[C@@H]1CCN(Cc2cc(N)ccc2O)[C@@H](CNC(=O)OC(C)(C)C)C1	2106680949	IXZDCYCVUNFIBG-HZPDHXFCSA-N	365.474	2.479	10	10	FECE	
CN1CCc2cc([C@H](O)CN3CC(CNC(=O)OC(C)(C)C)C3)ccc21	2112981464	SBIIATYZHAMBLG-GOSISDBHSA-N	361.486	2.169	10	10	FECE	
Cc1ncc(C=CC(=O)N2CCOc3ccc(S(C)(=O)=O)cc32)s1	2300221083	XEHRYAZKYGAEBN-UHFFFAOYSA-N	364.448	2.294	10	10	FECE	
CC(C)(C)OC(=O)NCC12CC(C1)[C@@H](C(=O)N1CC[C@@H](N=[N+]=[N-])C1)CO2	2342985294	LFBIKJNIGACIOC-HASVCBABSA-N	365.434	2.218	10	10	FECE	
CCn1ncc(I)c1NC(=O)c1cccc(O)c1O	2353647307	DTYWOIHATNXJNM-UHFFFAOYSA-N	373.150	2.171	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCN([C@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1	177952824	FFESYKUHQKGKKW-SBHAEUEKSA-N	370.541	2.175	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCCc3c(C)nn(C)c3C)CC2)cc1	192742611	NUFKAYMZHFLTKZ-UHFFFAOYSA-N	371.485	2.120	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(OC)n(C)n3)ccc21	548517847	VVVMWADCUZIREI-UHFFFAOYSA-N	356.426	2.899	10	10	FECE	
O=C(NCCCN1CCOC1=O)NCc1cc(Cl)cc(Cl)c1O	805138222	OJCXWOIKVYLUMH-UHFFFAOYSA-N	362.213	2.341	10	10	FECE	
c1ccc(Cn2nncc2CNCc2ccc(N3CCOCC3)cc2)cc1	292024124	XLTIXUVNHNRUCY-UHFFFAOYSA-N	363.465	2.453	10	10	FECE	
O=S(=O)(Nc1ccccc1-c1nc[nH]n1)c1cc(F)cc(F)c1O	821192795	XVQIYUUYTYGVOI-UHFFFAOYSA-N	352.322	2.256	10	10	FECE	
CN(C)c1ccc(/C=C\CN2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1	835053690	ZBHZQZFXCVBQKL-YEODSOHDSA-N	351.516	2.122	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccc(/C=C/C(=O)O)o3)CC2)cc1F	911582768	ZDFMWLMMNMAIQV-QPJJXVBHSA-N	374.368	2.488	10	10	FECE	
CCn1ccc(CNC(=O)NCc2cc(Br)ccc2O)n1	840402524	KLQRFTXZIVSVNM-UHFFFAOYSA-N	353.220	2.371	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@]1(C)CCCS1(=O)=O	910557590	HRWCOVUFWJNXGQ-RDTXWAMCSA-N	352.500	2.076	10	10	FECE	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CC[C@H]2CCCCN21	912709910	YIEFEGPHVIQBEJ-UYAOXDASSA-N	357.498	2.281	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)NC[C@@H]3C=C[C@H]4C[C@@H]3CO4)C2)cc1	922950302	HMFBYXZIUPBTBG-LJCCNALRSA-N	371.481	2.412	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC(=O)NCc1ccco1	840246063	VMEHMZYVFIACLR-HNNXBMFYSA-N	372.469	2.201	10	10	FECE	
O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCCN2CCSC[C@@H]12	925167326	PPAWBXOXVATQRR-KBPBESRZSA-N	355.891	2.425	10	10	FECE	
Cc1ccc(C(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)c(O)c1O	751534608	YKJTXBRGXJBNDX-NSHDSACASA-N	364.423	2.269	10	10	FECE	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1noc(C2CC2)n1	761266912	HAAJVTQFXZTIMD-UHFFFAOYSA-N	362.773	2.270	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)/C=C/COC3CCOCC3)C2)cc1	869228969	QLKCAWZBCSXXFB-WOMSROEHSA-N	360.454	2.142	10	10	FECE	
CC[S@](C)(=O)=NS(=O)(=O)NCc1ccc(N2CCC(C)CC2)cc1	866753117	JCRAMYBBBLRHGY-QHCPKHFHSA-N	373.544	2.375	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cccn(C4CC4)c3=O)CC2)cc1	864470763	PKWVHUXMNRDQHI-UHFFFAOYSA-N	353.422	2.154	10	10	FECE	
O=C([C@@H]1CCc2nncn2CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	878779904	CTFSNCMZQLVEDK-WBVHZDCISA-N	370.453	2.144	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ncn(C(C)(C)C)n1	784026234	SYVYOGBBRRPXCA-UHFFFAOYSA-N	359.430	2.116	10	10	FECE	
COC(=O)[C@H](C[C@@H]1CCCO1)NCc1cc(Br)ccc1O	895863106	KVRSSCQOWPSPMG-STQMWFEESA-N	358.232	2.355	10	10	FECE	
O=C(NCCCCN1CCC[C@@H]1CO)c1cc2cc(O)c(O)cc2s1	897234745	IVMGKGYHDRHKPS-CYBMUJFWSA-N	364.467	2.279	10	10	FECE	
CC(C)(C)O[C@@H]1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)[C@@H]1n1cccn1	1158288924	QXNJMYULBGHPQK-XCRHUMRWSA-N	359.426	2.150	10	10	FECE	
CCc1cc(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)no1	1190008487	NETIMLSPYZVDFZ-UHFFFAOYSA-N	372.469	2.188	10	10	FECE	
C[C@@H](N)c1ccc(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc1O	711806249	ZOIMBVFTRRBLPQ-IIBYNOLFSA-N	355.482	2.485	10	10	FECE	
COC(=O)/C=C\c1ccc(N2CCO[C@@]3(CCSC3)C2)c([N+](=O)[O-])c1	1328136073	YWBFOBRJMXXEPK-IVZVJUQRSA-N	364.423	2.493	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)NCC2(N(C)C)CCC2)N(C)C)cc1	1469827288	DQJJZWPXOCNVAK-GOSISDBHSA-N	361.534	2.139	10	10	FECE	
CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)NCC1(CN=[N+]=[N-])CC1	2124504637	BAPWYNPQCHYVBJ-QWHCGFSZSA-N	367.450	2.465	10	10	FECE	
COC(=O)c1cnc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)s1	1639833805	XVFOFORRNAXVSE-UHFFFAOYSA-N	361.383	2.065	10	10	FECE	
COC(=O)[C@H](C)N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S	6097267	GEDDPWJDANKOLE-LBTPYSACSA-N	352.393	2.358	10	10	FECE	
C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1	2132413361	MOCZSWPBGGUDJB-JQWIXIFHSA-N	366.414	2.179	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CCC(CN=[N+]=[N-])CC2)=C[C@@H]1O	2131479638	YGBWZCOYIUHODC-KBPBESRZSA-N	365.434	2.120	10	10	FECE	
Cc1cccc(CNC(=O)[C@@H]2CO[C@@H](C)CN2C(=O)OC(C)(C)C)c1O	2139759436	XNLGLBTVRJHRPL-ZFWWWQNUSA-N	364.442	2.341	10	10	FECE	
C[C@H](F)CCNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	2136241206	WJHUCASCQCKOGI-AAEUAGOBSA-N	370.421	2.398	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@]1(C)CNC(=O)O1	1951834455	TWIBKUWLXKAKBT-DYVFJYSZSA-N	352.387	2.032	10	10	FECE	
CNCc1ccc(N(C)C[C@H]2CCS(=O)(=O)C2)cc1Br	2148767690	BJWJDDDMJYUNBO-LLVKDONJSA-N	361.305	2.039	10	10	FECE	
C[C@H](NCCN1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(O)cc1O	311309936	XWXKRCFVXVHPGN-AWEZNQCLSA-N	365.474	2.301	10	10	FECE	
CC[C@H](CNC(=O)c1ccn(-c2ccc(N)cc2)n1)NC(=O)OC(C)(C)C	2162518548	UFCUPAKLGFTFRO-CQSZACIVSA-N	373.457	2.488	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@@H]1NCc1ccc(O)c(O)c1	387910398	YZDYITAWVFHPRX-WBQNTZJQSA-N	364.442	2.258	10	10	FECE	
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1ccc(CN)c(Br)c1F	2170629429	DWCLBLHDEVHUHF-RKDXNWHRSA-N	367.284	2.305	10	10	FECE	
C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1[C@@H](CN)c1ccc(N(C)C)cc1	2194811688	AEQCMUBSTQMCJD-KCXAZCMYSA-N	372.435	2.284	10	10	FECE	
CC(C)(C)OC(=O)N1CCn2[nH]c(=NCc3ccc(O)c(O)c3)cc2C1	2092671299	FXVDNEJJTHFQBV-UHFFFAOYSA-N	360.414	2.079	10	10	FECE	
Oc1c(Br)cc(Cl)cc1CN[C@@H]1CCC[C@@H](O)[C@H]1O	2224346741	BMHZGZFRWBLIQO-WZRBSPASSA-N	350.640	2.172	10	10	FECE	
C[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(O)[C@@H](N)c1ccc2c(c1)CCN2C	2227162084	YMKYITZZSBZGLT-ASUYLVSUSA-N	361.486	2.439	10	10	FECE	
O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc2c(c1)OCO2	2297056400	BGHDCRMPPHKQKQ-UHFFFAOYSA-N	368.320	2.216	10	10	FECE	
Cc1nnnn1-c1cc(NC(=O)C=Cc2ccc(O)c(O)c2)ccc1F	2308000818	UAJYQEKYRFHWAF-UHFFFAOYSA-N	355.329	2.173	10	10	FECE	
COCCN1C(=O)/C(=C\c2cc3c(cc2OC)OCO3)SC1=S	6008153	QKYAXJXRUVEBOJ-AWNIVKPZSA-N	353.421	2.272	10	10	FECE	
CCOC(=O)[C@H]1CCCCN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1	108790716	OJKJQSCCNLGIQG-UFUQCMIWSA-N	372.465	2.481	10	10	FECE	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])nc1	172080761	LVNOYYOZEGMCIH-UHFFFAOYSA-N	364.427	2.267	10	10	FECE	
CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1ccc(N2CCOCC2)cc1	373587389	WUECLYWNKRUJDK-RBUKOAKNSA-N	362.470	2.066	10	10	FECE	
CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)NCCCSc1nccs1	806958335	GTGZFWIQCIXMEL-NEPJUHHUSA-N	361.533	2.083	10	10	FECE	
Cc1ccncc1CN(C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	807288657	ZDOCYLNKRGGUEE-UHFFFAOYSA-N	364.449	2.041	10	10	FECE	
COC[C@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1	817706777	QUNANHSEUVWYGN-SFHVURJKSA-N	373.497	2.178	10	10	FECE	
C[C@@H](CN(C(=O)/C=C\c1ccc(N2CCOCC2)cc1)C1CC1)C(=O)O	588592750	OJGDDQFXKOGBGO-NOKKCYSASA-N	358.438	2.248	10	10	FECE	
CN(C)C(=O)Cc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2O)cc1	821151205	XOTIZCCMGTVXGO-UHFFFAOYSA-N	370.377	2.102	10	10	FECE	
N[C@@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)(F)F	830656606	CGVSXCZGUJDNKP-CABZTGNLSA-N	367.318	2.263	10	10	FECE	
Cc1cc(CCNC(=O)N[C@@H]2CCN(C)C2=O)c(C)n1-c1ccccc1	738504570	ATJPOTNYYLFAOU-GOSISDBHSA-N	354.454	2.167	10	10	FECE	
Nc1ccc(CCNC(=O)NCc2ccc(CN3CCOCC3)cc2)cc1	841658025	RSJUVIHTGJVIQH-UHFFFAOYSA-N	368.481	2.143	10	10	FECE	
C[C@@H]1CCN(CC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1	847641487	XGNVUAPGQWXIBG-GOSISDBHSA-N	370.541	2.177	10	10	FECE	
COc1cc(Br)cc([C@@H](C)N[C@H](C)Cn2cncn2)c1O	848525269	LCASKVFTUQNQHX-NXEZZACHSA-N	355.236	2.494	10	10	FECE	
CC[C@@H](NC[C@H](O)CS(C)(=O)=O)c1cc(Cl)cc(Cl)c1O	927021052	ADXMASFNTQXUHQ-JOYOIKCWSA-N	356.271	2.145	10	10	FECE	
C[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CS1(=O)=O	853411832	NRCXDIDYEHWZCD-ZBFHGGJFSA-N	365.499	2.052	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)[C@H]3C[C@H](C)Cc4c[nH]nc43)C2)cc1	857871582	SJDUOPNFTCMKIC-XUWXXGDYSA-N	354.454	2.479	10	10	FECE	
C[C@H](NC[C@H]1CN(Cc2ccncc2)CCO1)c1cc([N+](=O)[O-])ccc1O	858565472	QKGSQKKOYRWKLP-YOEHRIQHSA-N	372.425	2.247	10	10	FECE	
CCCCN(Cc1ccccc1O)C(=O)c1ccnc(N2CCOCC2)n1	861561057	BMXVGFIQHBVWLP-UHFFFAOYSA-N	370.453	2.461	10	10	FECE	
C[C@@H](NC(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1)c1ccccc1O	868815843	POISBMVYZBDARF-NVXWUHKLSA-N	370.453	2.048	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H]4[C@@H](CCN4C)C3)C2)cc1	868762576	QFNDLSYGWVXXIB-TXPKVOOTSA-N	358.486	2.010	10	10	FECE	
O=S1(=O)CCN(Cc2c(O)cccc2Br)[C@@H]2CCC[C@H]21	862388081	WTUPPTIBTONISC-TZMCWYRMSA-N	360.273	2.306	10	10	FECE	
COc1ccc(N2CCC(N3C(=O)N[C@]4(CCSC4)C3=O)CC2)cc1	761224194	VBHXDWQSAYNNQA-SFHVURJKSA-N	361.467	2.092	10	10	FECE	
CCOCn1nc(C)c(C[C@H](C)C(=O)NCc2ccc(O)c(O)c2)c1C	866769766	OZQTVQFXUQTMCP-LBPRGKRZSA-N	361.442	2.400	10	10	FECE	
CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H](O)C1(C)C)c1ccc(N)cc1	1879117690	GDWQMTMDJVZZMC-KUHUBIRLSA-N	363.458	2.286	10	10	FECE	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C[S@](=O)c1cccc(OC)c1	1157101565	BCCKKRAFHGGKOU-VWLOTQADSA-N	368.451	2.311	10	10	FECE	
CCc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1CC(=O)N(C)C	1306078365	RMENBWMLEOXDEC-UHFFFAOYSA-N	370.501	2.165	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H]1C(C)(C)C1(F)F	1327256300	UCOYSJZWERVFTH-CQSZACIVSA-N	353.413	2.119	10	10	FECE	
CN(C[C@@H]1CCCCS1(=O)=O)c1ccc(CN)c(Br)c1	694104085	LYTCIBIDPIRINL-ZDUSSCGKSA-N	361.305	2.311	10	10	FECE	
O=S1(=O)[C@H]2CC[C@H]1CC(NCc1cc(Br)ccc1O)C2	724320944	QAPBSPAFZXIILQ-STQMWFEESA-N	360.273	2.353	10	10	FECE	
C[C@H]1CNc2c(C(=O)NCc3cccc(Br)c3O)cnn2C1	1352070367	KWAJFMNEURKOHT-VIFPVBQESA-N	365.231	2.343	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc3c(c2)CCO3)[C@H](CO)C1	2116266361	BVFWOQFCJAKKJD-IRXDYDNUSA-N	362.470	2.329	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCCN1CCCO	1513792886	CKZUNAIQWNNUET-KRWDZBQOSA-N	373.501	2.029	10	10	FECE	
Oc1ccc(CNC[C@]23CN(Cc4ccccc4)C[C@@H]2CCO3)cc1O	2118582225	PSLOIMFQGUFBKA-RXVVDRJESA-N	354.450	2.479	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)CN(C(=O)c1cccc(O)c1O)C2	2118161764	DQUKSRXYZIZHME-BETUJISGSA-N	362.426	2.427	10	10	FECE	
CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](CNC(=O)c2cccc(O)c2O)C1	2118162116	GHZSRMIAMQZXGB-MXXVBZNESA-N	368.405	2.471	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCCN1CCCOCC1	1478727001	GJGNNKHKYHBIEB-UHFFFAOYSA-N	360.502	2.151	10	10	FECE	
O=C(C[C@H]1C[C@H]2CC[C@H]1O2)NCc1ccc(N2CCC(O)CC2)c(F)c1	1618648333	PDQFXGUCSYDGHT-IDHHARJASA-N	362.445	2.361	10	10	FECE	
C#CCN(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(N(C)C)cc1C	1705552190	JARORMUYZFAJBC-KRWDZBQOSA-N	353.470	2.274	10	10	FECE	
COCCc1noc(CN(C)C(=O)c2cc3cc(O)c(O)cc3s2)n1	1623040373	RAZUIDXCGCGRGW-UHFFFAOYSA-N	363.395	2.157	10	10	FECE	
O=C1C[C@H](Cc2ccc(C(=O)NCc3cc(Cl)ccc3O)cc2)C(=O)N1	1557385932	MOVRXVFENZGWPD-ZDUSSCGKSA-N	372.808	2.181	10	10	FECE	
CCC1(C(=O)NCCc2ccc(O)c(O)c2)CN(C(=O)OC(C)(C)C)C1	2124316309	PDEDFCIALFYAQZ-UHFFFAOYSA-N	364.442	2.404	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCC[C@@H]1CN=[N+]=[N-])[C@@H]1CCOC1	2124504579	AJGXIIPUUCZBDD-MCIONIFRSA-N	367.450	2.465	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(Nc3nn[nH]n3)c2)c1	1566374283	BPTMMRARLVVKPY-SNVBAGLBSA-N	354.370	2.149	10	10	FECE	
C[C@@H](c1ccccc1O)N(C)C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1	2126923440	ZOTRWXCACIMQII-ORAYPTAESA-N	364.442	2.284	10	10	FECE	
O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)NCCc1ccc(O)c(O)c1	156725511	DEKZPMBRRLTSMG-ONNFQVAWSA-N	366.417	2.362	10	10	FECE	
CC(C)(C)OC(=O)NCC1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1	2132392383	GLFJLAGEPUUPSU-UHFFFAOYSA-N	366.414	2.180	10	10	FECE	
C[C@@]1(CNC(=O)c2cc(O)c(O)c(O)c2)CCN(Cc2ccccc2)C1	2132348203	GJSJUVWFQSGUFR-FQEVSTJZSA-N	356.422	2.445	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](CNCc2cccc(O)c2O)CO1	2041186371	DBLVIGQVKQGZIR-OCCSQVGLSA-N	352.431	2.117	10	10	FECE	
C[C@@]12CN(Cc3ccccc3)C[C@H]1CN(C(=O)c1cc(O)c(O)c(O)c1)C2	2188868870	YCUBUNTZXNUGAT-KKSFZXQISA-N	368.433	2.398	10	10	FECE	
CN(C)c1ccc([C@H](CN)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1	2194844746	DGNGWJGSGRVMMR-BBRMVZONSA-N	372.435	2.143	10	10	FECE	
CC(C)(CNC(=O)COc1ccc(N)cc1)CNC(=O)OC(C)(C)C	2044235719	SCTKSBASQFXGNR-UHFFFAOYSA-N	351.447	2.315	10	10	FECE	
CC(C)(C)OC(=O)N1CCSC[C@@H](NC(=O)c2ccc(O)c(O)c2)C1	2054411406	YDSXQIOLBHNPJB-LBPRGKRZSA-N	368.455	2.180	10	10	FECE	
C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N(C)[C@@H](C)c1ccccc1O	2060430267	MYHKAXYRCNOUIH-HUBLWGQQSA-N	352.431	2.186	10	10	FECE	
CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1	2060610420	HPYCSGUFDVKXMH-MLGOLLRUSA-N	353.423	2.171	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)N2CCC[C@@H](N=[N+]=[N-])C2)C1	2060640516	WEHBEAUBASDZBD-CHWSQXEVSA-N	353.423	2.314	10	10	FECE	
CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-]	2060636663	ALQKFMMRGRTBHY-AGIUHOORSA-N	353.423	2.218	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(=O)N2CC[C@H](CN=[N+]=[N-])C2)CO1	2060610055	CSEKHLMVFLYJAR-UPJWGTAASA-N	353.423	2.075	10	10	FECE	
CC(C)(C)OC(=O)N1CCOC[C@@]1(C)C(=O)N1CCC[C@H]1CN=[N+]=[N-]	2081170575	OLGPXAAOOPKUBS-LRDDRELGSA-N	353.423	2.314	10	10	FECE	
C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1c1cc2c(cc1N)OCCO2	2106847713	YUVCFTZPGMTECU-MWLCHTKSSA-N	359.348	2.076	10	10	FECE	
CN1CCc2cc([C@H](N)C3(O)CC(C)(NC(=O)OC(C)(C)C)C3)ccc21	2106849707	ZRPUSYNHIWRXSA-DZIBYMRMSA-N	361.486	2.487	10	10	FECE	
CC1(CNC(=O)CCOc2ccc(N)cc2)CN(C(=O)OC(C)(C)C)C1	2112148401	XVFQCXMOVRBSRV-UHFFFAOYSA-N	363.458	2.411	10	10	FECE	
CCOC1(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])CN(C(=O)OC(C)(C)C)C1	2218746251	WBUCNXFBKWRUOE-NEPJUHHUSA-N	353.423	2.360	10	10	FECE	
CN[C@@H](c1ccc(N(C)C)cc1)[C@@](O)(CF)CNC(=O)OC(C)(C)C	2254002637	JYKQERXHAMQVPR-MAUKXSAKSA-N	355.454	2.238	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2OCC[C@@]2(C(=O)NCc2ccccc2O)C1	2278929695	JCIRXDSPKIWTOH-DNVCBOLYSA-N	362.426	2.034	10	10	FECE	
COc1ccc(N2C(=O)C(=Cc3ccc(N(C)C)o3)C(=O)NC2=S)cc1	2297313821	JICNAPHRJVTDHO-UHFFFAOYSA-N	371.418	2.186	10	10	FECE	
O=C(C=Cc1ccc(N2CCOCC2)cc1)OC[C@H]1CC(=O)N(C2CC2)C1	2298135481	WURIIRZCGMAJLH-KRWDZBQOSA-N	370.449	2.091	10	10	FECE	
C[C@@H](NCCOC1CN(C(=O)OC(C)(C)C)C1)c1cc(O)ccc1O	2315421924	IPYVGMYMJLOVCZ-GFCCVEGCSA-N	352.431	2.384	10	10	FECE	
COc1ccc(C(=O)NC2=NN(c3ccccc3)C(=O)C2)cc1[N+](=O)[O-]	8906473	IJCROAGKFQBKDV-UHFFFAOYSA-N	354.322	2.084	10	10	FECE	
CCOCCN1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@@H]1C	117486892	ZSCRJYQMTDNJGO-KRWDZBQOSA-N	374.529	2.321	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC(NC(=O)C3CC3)CC2)c([N+](=O)[O-])c1	30524721	LMQLIUXTLNKSDW-XVNBXDOJSA-N	373.409	2.276	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N[C@H](C)c1ccc(O)cc1O	310865908	XOQUCCDDLJDPRR-WPGHFRTFSA-N	352.431	2.383	10	10	FECE	
COCCCn1cc(C(=O)NCc2cc(Br)ccc2O)cn1	529391069	XJNRZRSRLOPCBY-UHFFFAOYSA-N	368.231	2.318	10	10	FECE	
C[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1cn[nH]c1	270357812	XMILYMIBNRSRGF-CQSZACIVSA-N	357.458	2.179	10	10	FECE	
Cc1ccc(CNc2snc(N)c2C(N)=O)c(O)c1Br	2381133440	OQEPQSDEMFQQPW-UHFFFAOYSA-N	357.233	2.213	10	10	FECE	
NC(=O)c1cc([N+](=O)[O-])cnc1NCc1cc(Br)ccc1O	804827658	BZKAXBVMPMHIIX-UHFFFAOYSA-N	367.159	2.169	10	10	FECE	
CC(=O)C(=O)COC(=O)c1cn(-c2ccc(Br)cc2)nc1C	808532120	KKDPWRUMRBBPGT-UHFFFAOYSA-N	365.183	2.258	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)C3CN(CC(F)(F)F)C3)C2)cc1	819587872	INIQMCFJYXXJFU-CYBMUJFWSA-N	371.403	2.132	10	10	FECE	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H](CN)c1ccc(F)cc1	826030472	CRQGUZGBXWPDBW-FQEVSTJZSA-N	371.456	2.363	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3CCC[C@H](CO)C3)C2)cc1	824681873	QQROKXJGXZJFBF-GVDBMIGSSA-N	361.486	2.372	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)NCc3ccccc3C)C2)cc1	826672679	CTEXNHASJAMFRH-QGZVFWFLSA-N	367.449	2.015	10	10	FECE	
CCC/C=C\[C@@H](O)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	909855092	BAAYQFOGACKZGL-YIEVGGLXSA-N	354.397	2.135	10	10	FECE	
CN(C)c1ccc(/C=C/CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1	835027587	FGORAOURBNPCBM-XXIDSNJLSA-N	356.514	2.004	10	10	FECE	
Cc1cc(O)c(CNc2ccn(CC(=O)N3CCOCC3)n2)c(Cl)c1	840905069	FUTLUQJAVAKWLI-UHFFFAOYSA-N	364.833	2.021	10	10	FECE	
COc1ccc(N2CC[C@H](CNC(=O)c3cc(C(C)(C)N)no3)C2)cc1	852893564	OLNMUPRIRGJCKV-CYBMUJFWSA-N	358.442	2.133	10	10	FECE	
COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC3CC(C)(C)C3)CC2)cc1	856338108	QHMAYGHLDKSJJM-HJWRWDBZSA-N	371.481	2.205	10	10	FECE	
C[C@@H]1CN(c2ccc(CNC(=O)C=C3CCNCC3)cc2F)C[C@@H](C)O1	852859968	GBVWYQLZUKHHFG-HUUCEWRRSA-N	361.461	2.365	10	10	FECE	
CO[C@]12CCC[C@@]1(C(=O)NCc1ccc(N3CCOCC3)cc1)CCO2	874155473	RNECQRZQVAEKMP-PMACEKPBSA-N	360.454	2.073	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])cc(C)n3)CC2)cc1	1127276183	FWOVUFVAMVQAQX-UHFFFAOYSA-N	356.382	2.269	10	10	FECE	
COc1ncc(/C=C/C(=O)N(Cc2ncc[nH]2)c2cncc(C)c2)cn1	1128795304	DUVIPLRCMORCJE-ONEGZZNKSA-N	350.382	2.158	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@]12CCCO2)c1ccc(N(C)C)cc1	897866048	QADJOYNOIPHAQZ-NQYLQCIDSA-N	359.470	2.148	10	10	FECE	
CC[C@@H]1COCCN1CCNC(=O)c1cc2cc(O)c(O)cc2s1	899199565	ILPQPOUZJVNDDH-GFCCVEGCSA-N	350.440	2.153	10	10	FECE	
C[C@H](O)[C@@H]1CN(Cc2cc(Cl)cc(Br)c2O)CCO1	895015176	DLJROXCRGVXMDS-UFBFGSQYSA-N	350.640	2.390	10	10	FECE	
CC[C@@H](N[C@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(F)cc1O	796934341	RDNHAVIVAYEDMO-CVEARBPZSA-N	360.433	2.497	10	10	FECE	
CN1CCN(c2ccc(CN3CC[C@H]4CC[C@@H](C3)[S@@]4=O)cc2F)CC1	1351626869	CNPHWMNVWAKZJE-LEHBWIKQSA-N	365.518	2.063	10	10	FECE	
COc1cccc(O)c1CN[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12	2121670624	OLKUZYODVWYRIE-CPUCHLNUSA-N	364.442	2.125	10	10	FECE	
CN(C)c1ccc([C@@H](CNC(=O)N[C@H](CO)CC(C)(C)C)N(C)C)cc1	1471542936	FSFACBYXXBYNQN-FUHWJXTLSA-N	364.534	2.452	10	10	FECE	
CNC(=O)c1cncc(/C=C/C(=O)NCc2ccc3cccnc3c2O)c1	1638573416	WCWQQAHNPIJBID-QPJJXVBHSA-N	362.389	2.025	10	10	FECE	
CN(Cc1ccccc1O)C(=O)[C@H]1CCOC[C@H]1NC(=O)OC(C)(C)C	2124304626	GHXHVKHDQKPOEA-LSDHHAIUSA-N	364.442	2.280	10	10	FECE	
CN1C[C@@](C)(Cn2c(CC3CC3)nnc2N(C)Cc2ccccc2O)C1=O	1748049619	QURTZTMQEKEUEH-FQEVSTJZSA-N	369.469	2.051	10	10	FECE	
COc1ccc(CNC(=O)/C=C\C(=O)N[C@H](C)c2ccccc2O)cc1	1587446913	BVJYEWIICPMVCJ-XMXAVACDSA-N	354.406	2.451	10	10	FECE	
O=C(NCc1c(O)cccc1O)c1cnc(OCc2ccccc2)cn1	1597573299	CBKBDXKMIJZRCW-UHFFFAOYSA-N	351.362	2.397	10	10	FECE	
CC(=O)Nc1ccc(Cn2c(C)nnc2N(C)Cc2ccccc2O)cn1	1760627039	TZRJKABKRJNXLN-UHFFFAOYSA-N	366.425	2.330	10	10	FECE	
COC(=O)/C=C/c1ccc(N2CCC[C@H]2C(=O)NC2CC2)c([N+](=O)[O-])c1	1772828926	DFLGATOYBYJAQH-BOSPYUDASA-N	359.382	2.028	10	10	FECE	
Cc1ccc(C)n1[C@H](CC(=O)NC1=NCCO1)c1ccc([N+](=O)[O-])cc1	1853047590	LKZSJILSXFEIAS-MRXNPFEDSA-N	356.382	2.495	10	10	FECE	
CC(=O)N(C(=O)[C@@H](NC(=O)NC1CC1)c1ccccc1)c1ccc(N)cc1	1873819257	BJPROAYPKPGSQU-SFHVURJKSA-N	366.421	2.351	10	10	FECE	
CCN[C@@H](c1ccccc1O)C1(O)CN(C(=O)OCc2ccccc2)C1	1979562871	VQYZFWRVSNMIJM-SFHVURJKSA-N	356.422	2.426	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3cccc(O)c3O)C[C@@H]21	280460853	MEEKAPVRLXBRBG-KWCYVHTRSA-N	362.426	2.473	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@@H]1NCc1ccc(O)c(O)c1	387910395	YZDYITAWVFHPRX-DXEWXGHRSA-N	364.442	2.258	10	10	FECE	
CC1(C)OC(=O)C(=CNc2ccc(C(=O)NCc3ccco3)cc2)C(=O)O1	20114877	VCMSBHLFVDGECT-UHFFFAOYSA-N	370.361	2.342	10	10	FECE	
COC(=O)c1cc2ccccc2c(CN2CC[C@H](N3CCOCC3)C2)c1O	172962649	XLDCUFUPIVTDEG-INIZCTEOSA-N	370.449	2.239	10	10	FECE	
Nc1ccc(CC(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1	404179766	WZEFHVCTOUYFOT-SFTDATJTSA-N	365.477	2.313	10	10	FECE	
CN(C)c1ncc(/C=C2/C(=O)N(CCc3ccccc3)C(=O)N=C2O)cn1	33307152	XQUFKOJUVYMUAO-XNTDXEJSSA-N	365.393	2.087	10	10	FECE	
COC(=O)c1coc(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1	186362266	SABZBLBTEFABSD-UHFFFAOYSA-N	362.357	2.176	10	10	FECE	
CC(C)OC(=O)c1c(NC(=O)[C@@H]2CNC(=O)C2)sc2c1CCCC2	194802691	UMRIPCAXNMUHLW-JTQLQIEISA-N	350.440	2.267	10	10	FECE	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCCCc1ccccn1	288121360	JSOYRIAHFMHSSS-UHFFFAOYSA-N	355.438	2.275	10	10	FECE	
COC[C@H]1CCN1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	293260643	XCLYLUYDRMUZBI-IJEWVQPXSA-N	365.449	2.370	10	10	FECE	
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ccc2cncn2c1	296952734	ANVIQSDLNWBWNT-UHFFFAOYSA-N	365.437	2.170	10	10	FECE	
CCC(=O)N1CC[C@@H](C(=O)NCc2cc(Br)ccc2O)C1	804734621	TUVJRQBONNNDDY-SNVBAGLBSA-N	355.232	2.029	10	10	FECE	
CC(C)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCN(S(C)(=O)=O)C1	801511147	PRNGQIJUOKZSGA-QGZVFWFLSA-N	353.532	2.245	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1	808519794	FFVJERBSLYXVJW-SFHVURJKSA-N	369.373	2.355	10	10	FECE	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(C3CC3)n2)c1	815470792	KEFNFEQDDRRYEH-LLVKDONJSA-N	355.394	2.489	10	10	FECE	
COc1ccc(N2CCN(CCNC(=O)N3CCC[C@@H]3C3CC3)CC2)cc1	728748280	DROMSHRJNRHHNX-HXUWFJFHSA-N	372.513	2.401	10	10	FECE	
CC1CCN(c2ccc(CNC(=O)C[C@]3(O)CCCN(C)C3)cc2)CC1	900625551	FFZIKHPFUHIPHO-OAQYLSRUSA-N	359.514	2.386	10	10	FECE	
Cn1nccc1[C@@H]1CCCN1C(=O)NCc1ccc(N2CCOCC2)cc1	914335307	FDDIORDZJAWDEV-IBGZPJMESA-N	369.469	2.303	10	10	FECE	
Cc1nn(-c2ccncc2)cc1CNC[C@@H](N)c1ccc(N(C)C)cc1	841046062	VKQYUUYTZSPIHW-HXUWFJFHSA-N	350.470	2.431	10	10	FECE	
O=C(CCCc1ccccc1)NCCNC(=O)NCc1c(O)cccc1F	922962336	RFQFIZNMQOUNIQ-UHFFFAOYSA-N	373.428	2.470	10	10	FECE	
C[C@H](NC(=O)NCc1cccc(Br)c1O)c1nccn1C	852689140	TUOVDEWEABNKSK-VIFPVBQESA-N	353.220	2.449	10	10	FECE	
COc1ccc(N2CC[C@@H](NCc3cccc(S(C)(=O)=O)c3)C2)cc1	850346905	LGAQJTXNROFETJ-MRXNPFEDSA-N	360.479	2.467	10	10	FECE	
O=C(O)c1cnn2c(O)cc(CN3CC4CC3(c3ccccc3)C4)nc12	853084335	IUOWTRAANABBMF-UHFFFAOYSA-N	350.378	2.254	10	10	FECE	
OCc1cc(NCc2cc(F)c(N3CCOCC3)c(F)c2)ncc1F	853681427	VPRNCZSEZMUFKB-UHFFFAOYSA-N	353.344	2.440	10	10	FECE	
C[C@@H]1O[C@H](C)C[C@H]1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	868117027	OTWLPDHLLJXFNT-DVOMOZLQSA-N	351.422	2.027	10	10	FECE	
Cn1cc(C(F)F)c(CN2C(=O)CN(Cc3ccccc3O)C2=O)n1	865332789	OKRADKKQTMEUCL-UHFFFAOYSA-N	350.325	2.028	10	10	FECE	
CN1CCN(c2ccc(CN3CCO[C@@]4(CCSC4)C3)cc2F)CC1	1118268486	ZBSSBQYSYRGBAQ-IBGZPJMESA-N	365.518	2.285	10	10	FECE	
C[C@H](Sc1nc(CC(=O)N(C)Cc2ccccc2O)cs1)C(N)=O	878276673	IZFGOTHIEGVBHH-JTQLQIEISA-N	365.480	2.016	10	10	FECE	
Cc1cc(Br)c(O)c(CN(CCS(C)(=O)=O)C2CC2)c1	781910031	SZJYBUYRRBZCPD-UHFFFAOYSA-N	362.289	2.472	10	10	FECE	
COc1ccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)c([N+](=O)[O-])c1	797819978	ZUOJSLOWCLSIGO-UHFFFAOYSA-N	354.340	2.118	10	10	FECE	
CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)c1ccccc1O	1151886137	WRSFZMQOAZJUDA-ZWNOBZJWSA-N	361.402	2.410	10	10	FECE	
COc1cc(Cl)cc(CNCC2(NC(=O)OC(C)(C)C)COC2)c1O	1963420815	HSWAFWDBTQHDQF-UHFFFAOYSA-N	372.849	2.438	10	10	FECE	
CCNCc1ccc(N(CC)CCS(C)(=O)=O)cc1Br	688532532	ZXVVOOXDEFHTFG-UHFFFAOYSA-N	363.321	2.430	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@]3([C@H]4CCCCO4)CCCO3)CC2)cc1	1356446963	QTFHJVFRFFVKEA-CTNGQTDRSA-N	374.481	2.462	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3Cc4cccnc4C3)CC2)cc1F	1351635420	JUCVDGFRYPIISV-OAHLLOKOSA-N	355.413	2.293	10	10	FECE	
CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NC(=O)Nc2ccc(N)cc2)C1	2116274565	PROOIUPDIRLHLT-SWLSCSKDSA-N	364.446	2.008	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)cc1	1468338996	QQDUPKVCXYSBEU-LBPRGKRZSA-N	372.406	2.150	10	10	FECE	
CN(C)[C@@H]1CCC[C@@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	1464310656	XRRSENIROHQBAO-IAGOWNOFSA-N	363.477	2.399	10	10	FECE	
CC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)NCc1cccs1	1627482750	CLOYPQRHILMAGE-IZPAUZPXSA-N	360.435	2.384	10	10	FECE	
Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)cn1	2124536572	RTXQRNKWUPBIBB-WCQYABFASA-N	363.422	2.145	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)NCC3(CN=[N+]=[N-])CC3)[C@@H]2C1	2124535293	LTCAMEMOWYXRFM-XQQFMLRXSA-N	365.434	2.075	10	10	FECE	
Cn1cc(C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)c(=NC(=O)OC(C)(C)C)[nH]1	2124512285	KURNUKYPIZXRPZ-NSHDSACASA-N	363.422	2.352	10	10	FECE	
O=C(Cn1c(S)nnc1-c1cccs1)NCc1c(O)cccc1F	1646035455	WDSJRAGDQITKKI-UHFFFAOYSA-N	364.427	2.456	10	10	FECE	
CCc1c(C(=O)N2CCN(c3ccc(OC)cc3OC)CC2)cnn1CC	1587490054	CVWWOKWGIHBOLZ-UHFFFAOYSA-N	372.469	2.445	10	10	FECE	
C[C@@H](NCc1nnc2n(C)c(=O)c3sccc3n12)c1ccccc1O	1655349118	DGGYVNMEHPKDQX-SNVBAGLBSA-N	355.423	2.199	10	10	FECE	
Cc1nnc2n1C[C@@H](C(=O)N(C)Cc1ccc(N3CCCC3)cc1)CC2	1587552558	UPGGHBFDKXNDNL-KRWDZBQOSA-N	353.470	2.408	10	10	FECE	
CC[C@H](C)[C@H](O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1685682076	RXHKYPAQGLQPBW-BMGDILEWSA-N	350.507	2.062	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NCc1cc(F)cc(F)c1O	2036602426	MXMFALAOTWWBDL-FZMZJTMJSA-N	358.385	2.300	10	10	FECE	
CC(C)(C)OC(=O)N1CCN(CCNCc2cccc(F)c2O)CC1	385938934	FTRLCKFINQQAQG-UHFFFAOYSA-N	353.438	2.174	10	10	FECE	
C[C@H](CCOCc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1	390312047	GCFKHNKAXFFBND-PBHICJAKSA-N	358.438	2.079	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NCCOc2ccc(N)cc2)C1	2044671755	ITAOZTIYGQKYTI-DLUDVSRJSA-N	369.487	2.413	10	10	FECE	
C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1ccccc1O	2060431251	WIESFADWFPLITL-XUJVJEKNSA-N	352.431	2.186	10	10	FECE	
COCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CN=[N+]=[N-])C1	2060640730	YCMXIVMDOXCDFT-QWHCGFSZSA-N	355.439	2.465	10	10	FECE	
COCC1(C(=O)N(C)CCN=[N+]=[N-])CCN(C(=O)OC(C)(C)C)CC1	2060611685	XBVAGKUVMZYQRT-UHFFFAOYSA-N	355.439	2.419	10	10	FECE	
C[C@H](c1ccccc1O)N(C)C(=O)[C@@H](CO)CNC(=O)OC(C)(C)C	2067732890	IAMIAZTZRPZCJL-CHWSQXEVSA-N	352.431	2.045	10	10	FECE	
CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)NCc2ccccc2O)CO1	2264712093	FYDHZOJZGANHCO-HUUCEWRRSA-N	364.442	2.328	10	10	FECE	
COC(=O)CN1C(=O)NC(=Cc2cc(C)n(-c3cccc(F)c3)c2C)C1=O	2294371426	YPPPNLQKNRUVTQ-UHFFFAOYSA-N	371.368	2.299	10	10	FECE	
O=C(O)C=Cc1ccc(O)c2c1[C@@H](C(=O)O)[C@H](c1ccc(O)c(O)c1)O2	2297749130	GJHXGOBGPWPCCK-CVEARBPZSA-N	358.302	2.203	10	10	FECE	
CCN(CCN=[N+]=[N-])C(=O)[C@]12CO[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)C2	2315992276	JVXWNEOMHDXBSD-OZVIIMIRSA-N	353.423	2.218	10	10	FECE	
COc1ccc(N2CCN(C(=O)NCCc3nc(C(C)C)no3)CC2)cc1	69121005	WABQPZXEMFTCFD-UHFFFAOYSA-N	373.457	2.276	10	10	FECE	
COc1c([N+](=O)[O-])ccc(CN2CCN(c3cc(C4CC4)[nH]n3)CC2)c1O	376466760	AERJINSSIOEVHR-UHFFFAOYSA-N	373.413	2.232	10	10	FECE	
COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3CC(F)(F)F)CC2)cc1	812446019	JXUMMOMQWTXGIM-INIZCTEOSA-N	371.403	2.371	10	10	FECE	
Cc1cncc(CCNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n1	822835276	KINJRKGXLVDQJP-SFHVURJKSA-N	370.453	2.424	10	10	FECE	
CCOC(=O)CN(Cc1ccccc1O)C(=O)Cc1c(C)cc(C)nc1O	911303479	JGQAUOSQDGUGFK-UHFFFAOYSA-N	372.421	2.244	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@](O)(C(F)F)C1	840484036	MGGMDWDUTHVQSD-SCLBCKFNSA-N	355.429	2.404	10	10	FECE	
C[C@H](NC(=O)C(=O)N[C@H](C)C(C)(C)C)c1ccc(N2CCOCC2)cc1	846727471	URTFBILRDNHFHA-LSDHHAIUSA-N	361.486	2.251	10	10	FECE	
OC1CCN(c2ccc(CNCc3nc4c(s3)COCC4)cc2)CC1	922960569	QHZHMHZZNOGJBK-UHFFFAOYSA-N	359.495	2.467	10	10	FECE	
C[C@@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCOCC1	755608735	NHMRESDLTOGXEZ-QAPCUYQASA-N	373.497	2.067	10	10	FECE	
CS[C@H]1C[C@H](NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1	868693048	LMYOTSFHAFWCQB-JOCQHMNTSA-N	371.453	2.495	10	10	FECE	
COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2C(C)=O)c(C)c1	766048760	UVWSEOZVCYMDNR-UHFFFAOYSA-N	363.391	2.491	10	10	FECE	
Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)/C=C\c1ccc(O)c(O)c1	779548359	RPHABBPYSJFESG-PKYBCLHXSA-N	357.410	2.061	10	10	FECE	
COCC1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCOCC1	897819817	AATZAJMHNHWUMC-UHFFFAOYSA-N	351.424	2.486	10	10	FECE	
CN1C(=O)COc2ccc(C(=O)NCc3ccc4cccnc4c3O)cc21	1142731237	PSODQWSGBCVLGA-UHFFFAOYSA-N	363.373	2.226	10	10	FECE	
C[C@@H](NC(=O)C1(CNC(=O)OC(C)(C)C)CC(O)C1)c1ccccc1O	1587447676	XQDVGNIIRIGTDN-BYKITBGFSA-N	364.442	2.235	10	10	FECE	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)NCCC3CC=CC3)C2)cc1	1341617766	VRLRDDZZOAYLFM-KRWDZBQOSA-N	371.481	2.110	10	10	FECE	
COc1ccc([C@@H]2CN(C(=O)c3cccc(O)c3O)CCO2)cc1OC	1349797862	CNGNBVAHUGNWIE-KRWDZBQOSA-N	359.378	2.329	10	10	FECE	
COc1ccc(N(C)CCN(C)C(=O)[C@@H]2COc3ccccc3O2)cc1	1538159666	BHNKOOQWWDUQQR-IBGZPJMESA-N	356.422	2.430	10	10	FECE	
CCOC(=O)COc1c(/C=C2/SC(=S)N(C)C2=O)cccc1OC	1159179	CQGHQZLSVBWBRR-XYOKQWHBSA-N	367.448	2.468	10	10	FECE	
C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)Cc1ccc(O)c(O)c1	1625866815	OUHZYQWHOIBFNK-CQSZACIVSA-N	356.422	2.318	10	10	FECE	
CCc1nnc(N(C)Cc2ccccc2O)n1CC1(N(C)C)CCOCC1	1727507045	GIRNMXURWDTFMD-UHFFFAOYSA-N	373.501	2.293	10	10	FECE	
CC(C)(C)OC(=O)NCc1ncc(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)cn1	2124504990	GFJBIWLWDXUIRN-NSHDSACASA-N	361.406	2.274	10	10	FECE	
CN(Cc1ccccc1O)C(=O)c1cn(C)nc1I	1631155673	YXEBMQMJAFACSD-UHFFFAOYSA-N	371.178	2.003	10	10	FECE	
COc1cccc(Cn2cccc(NC(=O)c3cc(O)cs3)c2=O)n1	1637536952	HUXMBBHZAUACSE-UHFFFAOYSA-N	357.391	2.320	10	10	FECE	
C[C@H]1CC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CS1(=O)=O	1639978141	URGJJICGJXDAEA-WCBMZHEXSA-N	355.437	2.008	10	10	FECE	
CN1C(=O)C[C@H](C(=O)NCc2cc(O)ccc2O)[C@H]1c1ccc(F)cc1	1643885034	GOUYDVQGEFMCQM-MAUKXSAKSA-N	358.369	2.073	10	10	FECE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C)C3=O)c(Cl)nc12	2286561	BJOUNNSNDNTADJ-RMKNXTFCSA-N	351.840	2.487	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@H]2CCCOC2)n1CC1(O)CC1	1768681187	FOUSOILWKGEPNZ-HNNXBMFYSA-N	358.442	2.039	10	10	FECE	
COc1cccc([C@H](O)COc2ccc(N3CCN(C(C)=O)CC3)cc2)c1	153179363	SDLLNMJVVKRFNM-OAQYLSRUSA-N	370.449	2.476	10	10	FECE	
COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C(C)(C)C)CC2)cc1	1862301214	QSVNBXNLNUEJSH-UHFFFAOYSA-N	361.486	2.285	10	10	FECE	
CN(C)c1ccc([C@H](NC(=O)Cc2cscn2)c2nccn2C)cc1	1866133286	XVBXWLBZKIEXOK-KRWDZBQOSA-N	355.467	2.391	10	10	FECE	
COC1(C(=O)O)CN(Cc2cc(Cl)cc(Br)c2O)C1	1917707021	PXHWJRLLMJVVRR-UHFFFAOYSA-N	350.596	2.094	10	10	FECE	
CC(C)(C)OC(=O)NCCN1CCC(NCc2cccc(O)c2O)CC1	1918404578	GOKCYYQWHJEOON-UHFFFAOYSA-N	365.474	2.177	10	10	FECE	
CC1(CNCc2cc(Cl)cc(Br)c2O)CS(=O)(=O)C1	1967852951	SNIGRPKDXVRLCV-UHFFFAOYSA-N	368.680	2.332	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CC[C@@](C)(C(N)=O)C3)ccc(N)c2C1	383331691	NMGLHFJQVWZMKI-HXUWFJFHSA-N	374.485	2.264	10	10	FECE	
CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(Cc2cc(N)ccc2O)C1	2044652135	GISGYIXIUZKXCB-LSDHHAIUSA-N	351.447	2.088	10	10	FECE	
C[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)C[C@H]1NC(=O)OC(C)(C)C	2054414940	QVCJMUKYMPGTQG-WCQYABFASA-N	350.415	2.473	10	10	FECE	
C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CCC[C@@H]2CN=[N+]=[N-])CO1	2060608753	LNHVCUFTXFKUPU-YNEHKIRRSA-N	353.423	2.312	10	10	FECE	
C[C@H]1OC2(C(=O)NCC3(CN=[N+]=[N-])CC3)CC1(NC(=O)OC(C)(C)C)C2	2266069125	LAJPCNNLUNPTTE-LBWKMTJJSA-N	365.434	2.408	10	10	FECE	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)NCc2ccccc2O)CO1	2264712091	FYDHZOJZGANHCO-CABCVRRESA-N	364.442	2.328	10	10	FECE	
COc1ccc(N2CCN(C(=O)CSc3nnc(C4CC4)o3)CC2)cc1	7289596	QEMOIAWLKIBHLQ-UHFFFAOYSA-N	374.466	2.397	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)NCC(=O)NC(C)(C)C)cc1F	66926909	GNCPNRURPPCLKZ-UHFFFAOYSA-N	352.454	2.386	10	10	FECE	
O=C(NCCCSc1nccs1)N1CCC[C@H](n2cncn2)C1	154603140	IILBIWUEDRDURU-LBPRGKRZSA-N	352.489	2.264	10	10	FECE	
CCN1CCN([C@H](C)CN[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1	155553857	WUYOCRCSXCKAPF-MOPGFXCFSA-N	360.546	2.200	10	10	FECE	
CC1CCN(c2ccc(CNS(=O)(=O)CCN3CCCC3)cc2)CC1	189601098	ZUKJDXAVMSWGPY-UHFFFAOYSA-N	365.543	2.438	10	10	FECE	
C[C@@]1(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C[C@H]2CC[C@H]1O2	249294747	BQLQIELHMNOEOJ-XFQXTVEOSA-N	362.445	2.361	10	10	FECE	
COc1cc(N2CCN(C(=O)c3cc(F)c[nH]3)CC2)cc(OC)c1OC	293472410	KSFXEBPOAAHVLW-UHFFFAOYSA-N	363.389	2.142	10	10	FECE	
COc1ccc(N2CCN(C(=O)c3ccnn3CC(F)(F)F)CC2)cc1	294341048	LIPSRPKMKSNEDY-UHFFFAOYSA-N	368.359	2.416	10	10	FECE	
CCc1nc(CN2CCN(Cc3cc(Cl)c(F)cc3O)CC2)no1	295406977	RGQFWDNAFAWGHL-UHFFFAOYSA-N	354.813	2.448	10	10	FECE	
C[C@@H](NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1c(O)cccc1O	397448908	YZBPIRWZXXOPGP-OLZOCXBDSA-N	352.431	2.384	10	10	FECE	
C[C@H]1CN(c2ccc([C@@H](C)N)cc2Br)C[C@H](C)S1(=O)=O	400891480	LONJNVPWXQWIOP-GARJFASQSA-N	361.305	2.481	10	10	FECE	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H](c1ccccc1)N1CCOCC1	588405369	HUGAYVPZXHSMSN-YPLUBFQTSA-N	368.433	2.301	10	10	FECE	
O=C(NCCC1(O)CCN(Cc2ccccc2)CC1)c1ccc(O)c(O)c1	718012889	YLQRHGCLJXJKGM-UHFFFAOYSA-N	370.449	2.245	10	10	FECE	
Cn1ncc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1C1CC1	771204021	IZQKKIMSAVDLKA-UHFFFAOYSA-N	355.442	2.456	10	10	FECE	
O=C(c1c(F)ccc(O)c1O)N1CCC(c2nnc3ccccn23)CC1	789946654	IXFYNTMGYCOWSP-UHFFFAOYSA-N	356.357	2.299	10	10	FECE	
Cc1cc(CC(=O)NCc2nnnn2C2CC2)c(C)n1-c1ccccc1	829117728	AWVLAHHAXKCOAO-UHFFFAOYSA-N	350.426	2.274	10	10	FECE	
CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCCCSc1nccs1	829528642	UXTGMMUJMHZBPN-XHBSWPGZSA-N	355.529	2.274	10	10	FECE	
CCCN(C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1ccc(CC)cc1	836848161	HCCVHRJGUSGLSW-FMIVXFBMSA-N	355.438	2.103	10	10	FECE	
Cc1cc(C(=O)N2CCN(Cc3ccc(N(C)C)c(C)c3)[C@H](C)C2)n[nH]1	839114243	BXAJUNMKTZILRN-MRXNPFEDSA-N	355.486	2.439	10	10	FECE	
C[C@@H]1CO[C@@H](C(F)(F)F)CN1CC(=O)NCc1ccc(N(C)C)cc1	839601799	SQOIFEGDMHEGTN-IUODEOHRSA-N	359.392	2.020	10	10	FECE	
CN1CC[C@@H](NC(=O)C(=O)Nc2ccc(N)cc2)[C@H]1c1ccc(Cl)cc1	841078097	GCZUGWSNCUSFSI-IAGOWNOFSA-N	372.856	2.422	10	10	FECE	
Cc1cc(S(=O)(=O)NC[C@H](N)c2ccc(N(C)C)cc2)c(C)s1	842785746	KIZCOJMHCSVPNP-HNNXBMFYSA-N	353.513	2.409	10	10	FECE	
CCN(OC)C(=O)CNC(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2	846279042	ZUHMQHDSLXAGEI-UHFFFAOYSA-N	373.453	2.055	10	10	FECE	
CCN1CCC[C@@H]1CNC(=S)N[C@H]1CCN(c2ccc(OC)cc2)C1	849271483	LEWTWCSZWDNSPB-DOTOQJQBSA-N	362.543	2.222	10	10	FECE	
COc1ccc(N2CC[C@H](NS(=O)(=O)c3ccccc3F)C2)cc1	849416625	UEEHSJNQYACALI-ZDUSSCGKSA-N	350.415	2.392	10	10	FECE	
COCCn1c(C)c(C)c2cc(C(=O)OCCc3cn(C)nn3)ccc21	851371491	XTDOJKGFGCHVQD-UHFFFAOYSA-N	356.426	2.433	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CCC(=O)N(C)CC2)cc1F	853705803	DSBUVCWMEGDYIZ-UHFFFAOYSA-N	350.438	2.046	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2CC[C@H](Cn3ccnn3)C2)cc1F	853706761	PXMHANLAZQNFRD-INIZCTEOSA-N	374.464	2.495	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)c3cnn(C(C)(C)C)c3)C2)cc1	855231175	HUDHOXAQDBAIHW-OAHLLOKOSA-N	370.453	2.225	10	10	FECE	
CCN(Cc1ccccc1)c1ccc(CN2C[C@H](O)C[C@H]2C(N)=O)cc1	895367510	FYYSGOIOBHBWKQ-UXHICEINSA-N	353.466	2.134	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)NCc3ccccc3O)[C@@H]2C1	915525522	PYUFTSMKSLPPSI-GJZGRUSLSA-N	361.442	2.304	10	10	FECE	
CN1CCN(c2ccc(CNC(=O)c3cc(F)cc(F)c3O)cc2)CC1	1176083345	IFNDJNQDSAKLTO-UHFFFAOYSA-N	361.392	2.352	10	10	FECE	
CCOC(C)(C)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1234335451	BXFYYCLBXKKBOS-QGZVFWFLSA-N	350.507	2.470	10	10	FECE	
CCN1CCC[C@H]1CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1256235949	BDQVJBIOHYGEBF-OALUTQOASA-N	361.534	2.139	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCc2nncn2CC1	1352614401	BUIHSICNSKKQMI-KRWDZBQOSA-N	353.470	2.489	10	10	FECE	
COc1ccc(F)cc1CN1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1	1463735225	FBFOZGIOPXQGST-UHFFFAOYSA-N	374.412	2.132	10	10	FECE	
CNc1cc(CNC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)ccn1	1528130855	OQAHPHCBRADRKZ-UHFFFAOYSA-N	373.432	2.303	10	10	FECE	
O=C(Cc1ccc(O)c(O)c1)NCc1ccc(N2CCC(O)CC2)c(F)c1	1586863909	BBMBBOBNBDRKML-UHFFFAOYSA-N	374.412	2.057	10	10	FECE	
CN(Cc1ccccc1O)c1nnc([C@@H]2CCCCO2)n1CC1(O)CC1	1617939777	GRKCBSHHKKMQMO-INIZCTEOSA-N	358.442	2.387	10	10	FECE	
CCOC(=O)[C@@H](CC)N(CC(=O)NCc1ccc(N(C)C)cc1)C1CC1	1658321965	KLFRGMBWAZTAGM-GOSISDBHSA-N	361.486	2.175	10	10	FECE	
COc1ccc(O)c(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)c1	1665768816	HFXAPZSULOVMNY-GDBMZVCRSA-N	352.431	2.125	10	10	FECE	
Nc1ccc(CC(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)cc1	1999440781	IHOTUEMQNQBMGG-KPFFTGBYSA-N	365.433	2.337	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1C(=O)NCCc1ccc(O)c(O)c1	2124195628	SZXWKWQTBDCXSS-XEZPLFJOSA-N	362.426	2.012	10	10	FECE	
CN(C(=O)CN1C[C@@H]2C[C@H](C1)C2NC(=O)OC(C)(C)C)c1ccc(N)cc1	2162967709	NMFJLTHOHKNPHI-UUVAVEHKSA-N	374.485	2.077	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])C1	2253551238	ZIJFHBRLADGDNN-YNEHKIRRSA-N	353.423	2.048	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1	2264513571	QIURGWFVFIXUIQ-MCIONIFRSA-N	367.450	2.438	10	10	FECE	
O[C@@H](c1ccc(N2CCNCC2)cc1)c1sncc1Br	2286071024	ICQXBFPFWHRJTD-ZDUSSCGKSA-N	354.273	2.397	10	10	FECE	
CC1=NN(c2nn[nH]n2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1	2296441699	DPKLSVHUEPYXBH-UHFFFAOYSA-N	365.309	2.174	10	10	FECE	
CCN(C)S(=O)(=O)N(C)Cc1ccc(C)c(Br)c1O	2352629080	VOAKNOSNBBKCRN-UHFFFAOYSA-N	351.266	2.091	10	10	FECE	
Cc1ccc(CN(C)C(=O)[C@@](C)(N)C(F)F)c(O)c1Br	2381133452	OVLPHRAFQCAEGQ-ZDUSSCGKSA-N	351.191	2.404	10	10	FECE	
CCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(C)C1=O	6594541	KYDNKDLXTDZKMG-YRNVUSSQSA-N	360.464	2.266	10	10	FECE	
CCOc1ccccc1N1C(=O)N=C(O)/C(=C/N[C@H]2CCCC[C@@H]2N)C1=O	103127027	MHVFYFGGOMWTBX-HFOMYUCASA-N	372.425	2.252	10	10	FECE	
COc1ccc(N2CCN([C@H]3C(=O)c4ccccc4N3C(C)=O)CC2)cc1	102437867	NFMHUMQHRGPLCH-OAQYLSRUSA-N	365.433	2.393	10	10	FECE	
COCCN1CCC[C@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1	171901767	PENZUZMKBYOLHR-IBGZPJMESA-N	360.502	2.197	10	10	FECE	
OCc1ccc(N2CCN(c3nncs3)CC2)c(Br)c1	2362057420	ONZLADBQFIVOSY-UHFFFAOYSA-N	355.261	2.120	10	10	FECE	
C[C@H](Nc1cnn(CC(=O)NCCO)c1)c1ccc(Cl)c(Cl)c1O	186508342	GGFZPOSOISWIDF-VIFPVBQESA-N	373.240	2.177	10	10	FECE	
CC(C)CC(=O)N[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)C(C)C	185388129	WWCMOPRFBXAPQN-ACJLOTCBSA-N	350.459	2.332	10	10	FECE	
COC(=O)CCN1C(=O)/C(=C/c2ccc(C(=O)O)cc2)SC1=S	40937838	CQFAIGDORPVEDT-FLIBITNWSA-N	351.405	2.149	10	10	FECE	
Nc1ccc(CCNC(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)cc1	237944302	PFMIIAFAUWYZSK-ZDUSSCGKSA-N	359.376	2.259	10	10	FECE	
Cc1cc(/C=C\C(=O)N2CCN(CCO)CC2)c(C)n1-c1ccccc1	254981015	JAAGMLKXLFUZEA-HJWRWDBZSA-N	353.466	2.244	10	10	FECE	
CC[C@H](NC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2)C(=O)NC	457043326	IEAHOLVRITVQSC-KRWDZBQOSA-N	370.497	2.049	10	10	FECE	
COc1cccc(CN2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c1O	368144454	ZHJKLUKZBYAIBY-HZPDHXFCSA-N	368.433	2.410	10	10	FECE	
COc1ccc(N2CCN(c3nccn(C(F)F)c3=O)CC2)cc1F	288900877	NVPBIMBTCXAMTD-UHFFFAOYSA-N	354.332	2.113	10	10	FECE	
CN(C)c1ccc(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)cc1	477574597	ALMCMQFAQMNGCG-UHFFFAOYSA-N	361.467	2.406	10	10	FECE	
CN(C)c1ccc(CNC(=O)CN2CCC3(CCC(O)CC3)CC2)cc1	295689859	LNBDPGDFGJRNPY-UHFFFAOYSA-N	359.514	2.386	10	10	FECE	
COC[C@]1(C(=O)O)CCCN1C(=O)c1cc(C)n(-c2ccccn2)c1C	818310600	ILNPUMBQYUQBJD-IBGZPJMESA-N	357.410	2.195	10	10	FECE	
CN1C(=O)CN(Cc2ccc(N3CCOCC3)cc2)[C@H]1c1ccccc1	813331965	SJFVVZURWSUHJU-NRFANRHFSA-N	351.450	2.496	10	10	FECE	
CC(C)CCCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	822620832	CFNZXUCQLSRUQT-UHFFFAOYSA-N	352.500	2.364	10	10	FECE	
COc1cccc2c1CN(c1cc3c(cc1[N+](=O)[O-])OCC(=O)N3)CC2	829083544	RLDUWHPZYNDZSC-UHFFFAOYSA-N	355.350	2.497	10	10	FECE	
COc1ccc(O)c(CNC(=O)[C@@H](C[C@H]2COCCO2)C(F)(F)F)c1	830544102	LYCWQCHWPPUKQV-QWHCGFSZSA-N	363.332	2.001	10	10	FECE	
O=C(O)/C=C/c1ccc(N2CCOC3(CCOCC3)CC2)c([N+](=O)[O-])c1	844213562	JLZVCAPRYMATKE-DUXPYHPUSA-N	362.382	2.469	10	10	FECE	
COCCN(C[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(OC)c(OC)c1	844307032	GKPSXQQFOZLXFY-OAHLLOKOSA-N	350.415	2.140	10	10	FECE	
CCN(CC)c1ccc(CNC(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)cc1F	844963249	IVJDEVLLGBBJIU-XACMVJRISA-N	353.463	2.087	10	10	FECE	
C[C@H]1CCn2ncc(C(=O)NCc3ccc(N4CCOCC4)cc3)c2C1	843774171	ILMZNIAMJYDNGF-HNNXBMFYSA-N	354.454	2.232	10	10	FECE	
COc1ccc(N2CC[C@@H](NC(=O)c3cnn(C)c3-n3cccc3)C2)cc1	855232591	SGILURHUZWIACU-OAHLLOKOSA-N	365.437	2.228	10	10	FECE	
CCOc1ccc(CNC[C@@H]2CN(Cc3ccncc3)CCO2)c(O)c1	858306804	SEIYSWYKFMDYMS-LJQANCHMSA-N	357.454	2.177	10	10	FECE	
Cc1cc(CC(=O)NC[C@@H]2CCN(C(N)=O)C2)c(C)n1-c1ccccc1	854433090	CLKYALWPBHHVPC-INIZCTEOSA-N	354.454	2.153	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@]4(CCN(C)C4)C3)C2)cc1	852449144	PZTVOBVVOKHCOW-OXJNMPFZSA-N	358.486	2.011	10	10	FECE	
O=S(=O)(c1cccnc1N1Cc2cccc(O)c2C1)N1CCCCC1	866118855	HLHAXRCRYBOTAA-UHFFFAOYSA-N	359.451	2.482	10	10	FECE	
Cn1cc([C@@H](NCc2ccc(N3CCOCC3)cc2)C2(CO)CCC2)cn1	930534332	ASPFVSRQJUMVKM-HXUWFJFHSA-N	370.497	2.250	10	10	FECE	
C[C@H](NC(=O)NCc1cccc(CS(C)(=O)=O)c1)c1ccccc1O	868185717	ZBMUOCLOQZEMJH-ZDUSSCGKSA-N	362.451	2.497	10	10	FECE	
O=C(CCn1ccnc1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	768911025	KPSHBJCXWRTULJ-UHFFFAOYSA-N	367.497	2.122	10	10	FECE	
CCOC(=O)c1n[nH]c([C@H](C)NC2CCN(c3ccc(OC)cc3)CC2)n1	895233071	KYBNUDZYVGPJEU-ZDUSSCGKSA-N	373.457	2.310	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCc2ccc3c(c2)CCS3(=O)=O)cc1	1137377981	SSCISDHDCFIPPQ-UHFFFAOYSA-N	372.406	2.109	10	10	FECE	
CC(C)c1nnc(N(C)Cc2ccccc2O)n1CCCS(C)(=O)=O	1302578742	IOUVQLPYTLQESZ-UHFFFAOYSA-N	366.487	2.178	10	10	FECE	
Cc1cc(CNC(=O)C(=O)N(C)Cc2cc[nH]n2)c(C)n1-c1ccccc1	1328877228	MVCNXFXVKGCEIG-UHFFFAOYSA-N	365.437	2.092	10	10	FECE	
Oc1ccsc1-c1nnc(N2CCO[C@]3(CCOC3)C2)n1CC1CC1	1263681730	VDOOLRSMAOHNIM-QGZVFWFLSA-N	362.455	2.118	10	10	FECE	
C[C@H]1CNc2c(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)cnn2C1	1522410625	GQCCLVAQAFORIR-KBXCAEBGSA-N	370.501	2.043	10	10	FECE	
COc1ncnc(OC)c1C(=O)N(C)Cc1ccc(N2CCCC2)cc1	1463812404	JQEDQKTVBDWUEU-UHFFFAOYSA-N	356.426	2.366	10	10	FECE	
CCCN(Cc1ccc(N2CCOCC2)cc1)[C@@H](COC)C(=O)OCC	1617205767	BIXLRAUPNDSXDM-IBGZPJMESA-N	364.486	2.313	10	10	FECE	
CCOC(=O)C[C@H](O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	1624287083	UEQPDXFGQIJUJY-SFHVURJKSA-N	374.437	2.189	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)NCc2ccc(N3CCOCC3)nc2)cc1	1624760376	QJKBECNDLSQONU-UHFFFAOYSA-N	368.397	2.011	10	10	FECE	
CCOc1cc(/C=C2/SC(=S)N(CC(=O)OC)C2=O)ccc1O	1205199	CXOMQKHHGMHAEV-KPKJPENVSA-N	353.421	2.165	10	10	FECE	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@H]2COC(=O)N[C@@H]2C1	1636263161	MPZHMYVYFVZJOQ-UWWQBHOKSA-N	374.485	2.132	10	10	FECE	
C[C@](O)(CSc1cccc(F)c1)C(=O)NCc1ccc(O)cc1O	1639444312	GUBVZAAECMOYHO-KRWDZBQOSA-N	351.399	2.396	10	10	FECE	
O=C(Cc1ccccc1S(=O)(=O)C(F)F)NCc1c(O)cccc1F	1645050488	KAVHQFJFLDXNJB-UHFFFAOYSA-N	373.352	2.387	10	10	FECE	
COc1nsc(CNC(=O)Cc2ccc(O)c(O)c2)c1Br	1585260492	CTHDXUUSEQXINO-UHFFFAOYSA-N	373.228	2.184	10	10	FECE	
CC(C)(C)OC(=O)NCc1cc(C(=O)NCc2cccc(O)c2O)ccn1	1593739177	IKOPYWQZXCOEPF-UHFFFAOYSA-N	373.409	2.448	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@]2(CNCc3cccc(F)c3O)C[C@H]1CO2	1967734505	OZSOFTWKJZWMCD-UGSOOPFHSA-N	352.406	2.399	10	10	FECE	
O=S1(=O)CCC[C@H]2CN(Cc3cccc(Br)c3O)C[C@@H]21	2145070920	DWLPJKSKADBTAR-GWCFXTLKSA-N	360.273	2.164	10	10	FECE	
CC(C)(C)OC(=O)N1CCc2c(N3CCC[C@@H](C(N)=O)C3)ccc(N)c2C1	380153581	XTKPBEBPZMJUOA-CYBMUJFWSA-N	374.485	2.264	10	10	FECE	
C[C@H](N[C@H]1[C@H]2OCC[C@@H]2[C@H]1NC(=O)OC(C)(C)C)c1c(O)cccc1O	387779951	ZXIQIZNNRHWMGP-IIFPJAJBSA-N	364.442	2.429	10	10	FECE	
CC(C)(C)OC(=O)Nc1[nH]nnc1C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1	2060634426	ZMVOJWAJGIOXMI-VIFPVBQESA-N	350.383	2.314	10	10	FECE	
C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-]	2218737881	LJSULGGJPISWFT-XQHKEYJVSA-N	353.423	2.358	10	10	FECE	
CN(C[C@@]1(O)CCCN(Cc2ccccc2)C1)C(=O)Cc1ccc(N)cc1	2286362313	LSNFKERDJHDZHP-QFIPXVFZSA-N	367.493	2.297	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@H]2NCc1ccc(O)c(O)c1O	2318636328	CFBQDKVJDXZTIY-RWMBFGLXSA-N	350.415	2.291	10	10	FECE	
Cc1cc(C(=O)CN(C)CCS(C)(=O)=O)c(C)n1-c1ccc(F)cc1	102772160	HXXBQASUFUPLBK-UHFFFAOYSA-N	366.458	2.392	10	10	FECE	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(S(C)(=O)=O)cs1	157843411	ZGCMQBQGZUCBTR-UHFFFAOYSA-N	352.481	2.490	10	10	FECE	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(C[C@@H]2CCCO2)CC1	198213168	PXFCUIPUDBOOIN-INIZCTEOSA-N	368.437	2.187	10	10	FECE	
COC(=O)c1ccc(C(=O)OC)c(NC(=S)NCc2ccccn2)c1	244141777	UPSVQNSFQXWOIN-UHFFFAOYSA-N	359.407	2.141	10	10	FECE	
CNC(=O)c1cncc(/C=C\C(=O)N2C[C@H](C)C(=O)Nc3ccccc32)c1	255588922	ICDBXLDHZHCSCS-WSROAFLRSA-N	364.405	2.076	10	10	FECE	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N[C@H](C)c1cc(O)ccc1O	305881183	AZEBMDQUWSVBIV-WPGHFRTFSA-N	352.431	2.383	10	10	FECE	
CC(C)(C)C(=O)N1CCO[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1	377174342	XOLDAXJOGHAXDF-GOSISDBHSA-N	373.497	2.177	10	10	FECE	
CCNCc1ccc(N2CCS(=O)(=O)[C@H](C)C2)c(Br)c1	707151840	LVPGKKFHOPJKMW-LLVKDONJSA-N	361.305	2.182	10	10	FECE	
Cc1cc(C(=O)CN2C[C@H]3CNC[C@@H]3C2)c(C)n1-c1ccc2c(c1)OCO2	728914299	PUKHKJHJKIANMY-HZPDHXFCSA-N	367.449	2.157	10	10	FECE	
C[C@H](CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)n1cccc1	729525204	GUAMYHFSPBJMKY-SJLPKXTDSA-N	368.481	2.457	10	10	FECE	
CCN(C(=O)/C=C\c1cncc(C(=O)NC)c1)c1ccccc1C(=O)OC	736110902	AFBXMUVHRZVCGJ-KTKRTIGZSA-N	367.405	2.294	10	10	FECE	
COc1ccc(N2CCN(C[C@H](O)CN3C[C@H](C)CC[C@@H]3C)CC2)cc1	754049314	IPOFQBSJIJAGJH-HBFSDRIKSA-N	361.530	2.299	10	10	FECE	
C[C@@H]1O[C@H](C)CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@H]1C	782559525	RMQSJYHSAAZNOH-ILXRZTDVSA-N	365.449	2.370	10	10	FECE	
CC[C@@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)c1nccs1	803687427	MJLXDMGSQJDUTB-OAHLLOKOSA-N	372.494	2.409	10	10	FECE	
COC(=O)N[C@H](C(=O)NCc1cc(Br)ccc1O)C(C)C	804734637	UJDWUJPPTDWTIX-LBPRGKRZSA-N	359.220	2.152	10	10	FECE	
CC(=O)C(=O)COC(=O)[C@@H]1CCCC[C@H]1C(=O)N1c2ccccc2C[C@H]1C	808543631	LHAHEEKHTHFDJU-KBRIMQKVSA-N	371.433	2.472	10	10	FECE	
O[C@@H](CNCc1ccc(N2CC=CC2)cc1)COc1ccc2c(c1)OCO2	819096223	ZXGZSUDKKSHSPP-SFHVURJKSA-N	368.433	2.321	10	10	FECE	
COc1ccc(N2CC[C@H](NC(=O)c3ccc(NC(N)=O)cc3)C2)cc1	855229781	QICBPNXMWRMTMB-HNNXBMFYSA-N	354.410	2.195	10	10	FECE	
COC(=O)c1cccc(CC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	855233639	JNZMUUCSISZABS-QGZVFWFLSA-N	368.433	2.419	10	10	FECE	
C[C@](CO)(NCc1ccc(N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1	865705515	UOFZZWZUQOPDRQ-HXUWFJFHSA-N	371.437	2.429	10	10	FECE	
CC(C)NC(=O)[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	1118531032	XRJVJNKXMFDVGY-HNNXBMFYSA-N	364.465	2.338	10	10	FECE	
C[C@@H](CC(=O)NCc1cccc(O)c1O)n1cc(Br)cn1	1263894828	WXHBSZGQPYLJFH-VIFPVBQESA-N	354.204	2.324	10	10	FECE	
C[C@@H]1CSC[C@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1312669517	QYDRPERFEZYFED-KBRIMQKVSA-N	350.532	2.406	10	10	FECE	
COc1nc(C)cc(C)c1CN(C)C(=O)C(=O)N(C)Cc1ccccc1O	1347966020	DHTXPDCBALARJE-UHFFFAOYSA-N	371.437	2.030	10	10	FECE	
NC(=O)C1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]3[C@H]3C[C@H]34)cc2)CC1	1350320295	YBYLESLPKZOBLV-QDGKJQRMSA-N	367.493	2.297	10	10	FECE	
CCc1cc(C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)n[nH]1	1446814193	FNARNGXBICTXNS-UHFFFAOYSA-N	351.790	2.147	10	10	FECE	
CC(C)[C@H](C(=O)NCc1cccc(O)c1O)S(=O)(=O)C1CCCCC1	1471644762	YHWHIDDXOQQIJC-QGZVFWFLSA-N	369.483	2.486	10	10	FECE	
CCOCc1nnc(N(C)Cc2ccccc2O)n1CCc1cn[nH]c1	1548086275	XRTZIISDFNHHNJ-UHFFFAOYSA-N	356.430	2.122	10	10	FECE	
COc1cc(N2CCC(C(=O)N3CCCC3)CC2)c([N+](=O)[O-])cc1OC	1559060358	KDDKGHFKRWWQHT-UHFFFAOYSA-N	363.414	2.451	10	10	FECE	
COC(=O)[C@@H](CNC(=O)c1c(F)ccc(O)c1O)c1ccc(F)cc1	1611258481	WPIAUVDDWBBXQM-NSHDSACASA-N	351.305	2.063	10	10	FECE	
CCN1CC[C@@H]1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	1631425431	FOXIOWGXAUZTKY-JKSUJKDBSA-N	351.878	2.220	10	10	FECE	
O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1n[nH]cc1F	1631879752	LYLBRAGPRDLWKU-UHFFFAOYSA-N	357.433	2.011	10	10	FECE	
NC(=O)N=Nc1ccc(C(=O)N[C@@H](CO)C[C@@H](O)c2ccccc2)cc1	1633381489	HIWOQTIMXQSJAP-HZPDHXFCSA-N	356.382	2.063	10	10	FECE	
CCCN(CC(=O)NCc1ccc(N(C)C)cc1)CC(=O)OC(C)(C)C	1642662015	FYZLCYLJKVPNSN-UHFFFAOYSA-N	363.502	2.423	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc(O)cc1O)C1CCC1	1643103625	COZCMJSJRJMHPA-HNNXBMFYSA-N	350.415	2.407	10	10	FECE	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCc1ccnc(N(C)C)n1	1679470070	JKQDQXIPXMNNTK-UHFFFAOYSA-N	368.485	2.484	10	10	FECE	
C[C@H](NC(=O)C[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O	1877573534	LZLDCBFPWZWKNC-GZBFAFLISA-N	364.442	2.499	10	10	FECE	
CN(C)c1ccc([C@H](O)[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1	1917209458	QVXJGWUVVBBGGX-SJORKVTESA-N	358.394	2.166	10	10	FECE	
COc1cc(C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc(O)c1O	1952725286	YYFHLEQUPNLWSL-ZDUSSCGKSA-N	355.387	2.362	10	10	FECE	
CCOC(=O)[C@H]1CCN[C@@H]1c1cc(I)ccc1O	1952826194	VNOXHLLCCLMEFD-CABZTGNLSA-N	361.179	2.211	10	10	FECE	
C[C@@H]1C[C@@H](CNCc2cccc(Br)c2O)CCS1(=O)=O	1967903068	XJNCQQCGIZGWHW-MNOVXSKESA-N	362.289	2.458	10	10	FECE	
CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NC(=O)Cc2ccc(N)cc2)C1	2044642352	STQLWBFVDDDTPD-RUZDIDTESA-N	367.471	2.055	10	10	FECE	
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H](N=[N+]=[N-])C1)[C@H]1CCCO1	2060638258	UWCHCSNTXBDUSE-XQQFMLRXSA-N	353.423	2.360	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)N2CC(N=[N+]=[N-])C2)OCC1(C)C	2065371035	JSOGQJWUAXHTGO-GFCCVEGCSA-N	353.423	2.312	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@@H]21	2118179468	WCEBHCSHRHGHNP-HZSPNIEDSA-N	362.426	2.473	10	10	FECE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1C[C@@H]2C[C@H]2C1	2136252945	IECPOSRGXOCPIB-IHRRRGAJSA-N	362.426	2.012	10	10	FECE	
CN(Cc1cnsc1)c1cc2c(cc1Br)[C@@H](N)C(=O)N2	2150307053	KQMKNYCYJPRQEA-GFCCVEGCSA-N	353.245	2.494	10	10	FECE	
CC(C)(C)OC(=O)N1C[C@@H]2CCN(c3cc4c(cc3N)OCC(=O)N4)[C@H]2C1	2188888661	WJHRZUNDVUQKGB-NHYWBVRUSA-N	374.441	2.045	10	10	FECE	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc2c(c1)OCO2	2296114003	IHSFPUXDLCDFJM-UHFFFAOYSA-N	354.293	2.221	10	10	FECE	
C[C@H](NCCOC1CN(C(=O)OC(C)(C)C)C1)c1ccc(O)cc1O	2315576868	JDKKPEZODZIRLU-LBPRGKRZSA-N	352.431	2.384	10	10	FECE